A0A077ZAN1_TRITR Loading...

Doublecortin-like and CAM kinase-like protein

AlphaFold DB , UniProt , Accession A0A077ZAN1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 2,304 aa.

>A0A077ZAN1_TRITR|A0A077ZAN1
MEAVGEYEYNKKDLIGHGAFAVVFKGRYKTRPEITVAIKSITKKNLSKSKNLLSKEIKILKELSDLHHENLVALLQCIETSSHVYLIMEYCNGGDLADYLQAKGTLSEDTIRLLLRQIAAAIKAINSRGIVHRDLKPQNILLCNLTNNPNPEPQEIRLKIADFGFARFLQDGVMAATLCGSPMYMAPEVIMSLQYCAKADLWSIGTIVFQCLTGKAPFQAQTPQALKQFYERNKNLKPNIPASASDELRDMLLHLLKRNVKERIDFDAFFEHPFLKDANSNNDTLSSVKLPRKLKVTEISASPVRSPSMVRFPQRTVEVYRRSEQRPKDASGHADQPKHLETIGTTKGSSKVATLVECNEQEGDYVVVQRVADPSRKRLSSAPRCSGNVPARLIRQGARPTAAVKSLQPPPVRPASFPACSGNHPTVSKPSTGPMPVPSQRGTFAQMEAKRWEREAAIRSGQTLVTTTRPVEDTAGTPPVEATNQGRNSALTGGEEVGPAKVQPSLNVPSIADLKPPKTMYHVEKSKLTKSPSTSEKMSHTPACRSSLLTATGVSPCRDKVCPSPSSALTASDGESEDEMKPLSLPFARSYRSQTLPANRVVRRTEPVVEKSMDNEMLRKENDAPGGRKDVGISISPLNVQPLSFGLQTMEPPPELKAETLLERDHNEILAKLQFVLQVVQSLTKLAQVRSNPLSVMLCSRRFSNVDDANMVNQSYRHAEQLVIYVRALHMISSSLQLAQQEVDAKRLYVSSTVKRVLNELNESFHVCLMRSQELITYGLPGPDKTCTINAERLMYNYALELCQSAALDELFGDPQLCPPRYQTAFVLLHTLAQQVTDEEDRCILKKYKDAVEKRLRILEKQGFVSAEQPSQPLPDKADRRRWKLFSFYRMPSAVYFCQIKRRPTFGPSRFVFCSTAMNVKATDILCAFFVYNPDYGRLEGEEEQKLFYYFPKTIPLTEKVQNVGFSEAVVKFTNTFTSDRDDVYDSLSTKFYHIYICIEDNFYLGATFSRRRADSIGYPLRRDVLSVALRKAYNMFRLFFGGISSMVVSVGLEHTKQRLEFFFNRYVCSMRLSLTLIDDLIEGVRYCRASGKVTIELLSLVSEVEDSYPFVRHSMILFNDQLLHCSLPSQSRTTFFHYVASKLLPMSMRTEVRLELQQQQTDDQDGKQSVRRGRFYFNAGSADTGDGDKSFAKLPSVYLRLDRSTNSDQQFRLLVYRNVGITWAMLLDFREVEQLNQCQFFAEFEERFNPIIESVMSTLSDEEEKALGSAASISATCFYLFYDANMSEVRGTFANISQTVPAGNNASAPPADVCSALCDLKEQQDSKNYFGDVIAKADGDWWVAVKGSGCRRLYVALHVKNGNLIDTSMANYQSLIDSALACSMSQLSQMSTEDLTEWTQGNSKADNWVKDLPQVKTLIQEKEHMFSQNKSLAEQNLSKKPSLEERRDAVLAAYERAVNAKKTYMEKKAELDRFCDQRSLDTSLALLEAAAAEAEENSEVIANDFLSGSISPEEFVAKFTDAKRLAHLRKVKCEKLQEIIFGATRAASWRLGSNDKVVKQLLRLESIPELLKVHIAIVAGTSRLVIMPATTSGSEKSSSSRKSARREGKAIATWEAGIDGLETGGNASTPNRRYPRAKKVRFYRNGDQFFKGVWYPLPADRFRSFDTLLEDLNRVLGDLVNLPHGVRYVFTLDGQRRIQELSELDDGESYVCSSNECFKKIDYQNVREPVWSYGFRSNCKVGSSATVGDSSSPGTSTSHEGASSILEPNDFVHPRIITVLRNGIKPRRVIRHLLNKRTARSFEQVLSDLSTVVRLDSGAVKKLFTFAGKQVCCLADLFQDDDLFLACGSERMSIDDLYLDSAEYQFVMPARLRNGGPPPSSRCSKLSPMRRAQLSRLNEKFVNSQKYQNRPVGRAYKTKVMLGTVTYCHVVLIVVVQLRPNGDYLVSHAGNSGAGVPAWLPVELRDRFEWGPLLGDGNFAVVHECVHKSTGKTYAVKVIDKRKCRNKEQIIENEVRLLSRVRHEYVVQLHDSISLKDLHLLVLEFVPGGDLFDALVAARTFPEATAAHMMQNLMSALAHLHSMDIVHRDVKPENLLIYETGDGWKYIKLADFGLATELNDPLFDICGTPTYVAPEMLAEGGYGLKVDVWAAGVILYIMLCGYPPFVSETGAQEDLFEAILSGKYAFVEQHWRGISNAAKMLVNGMLQLNADDRYSSTEVLSHPWIEVGHCCPLHFVMYSNFFQGCGNVDPEFEHVSTLALQCVEFVQHENRHVEDPVGKFYSRRRSMDELSCLTTDVTSTSFF
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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
1M64.8Low81Confident39 Ų3920.1 Ų20.119%0.19211%0.109CC..  0135.90-129.8-47.4-157.700106.1A3 E8 Y9 N10 R27 H2082 L2145M1-A3 PolarHBondContact O-N 3.1Å; M1-E8 HydrophobicContact CB-CB 4.14Å; M1-E8 VanDerWaalsContact CB-OE2 3.28Å; M1-E8 WeakPolarHBondContact CB-OE2 3.43Å; M1-E8 HydrophobicContact CE-CB 4.15Å; M1-E8 HydrophobicContact CE-CG 3.77Å; M1-E8 WeakPolarHBondContact CE-O 2.99Å; M1-E8 HydrophobicContact CG-CB 4.1Å; M1-E8 VanDerWaalsContact CG-CD 3.46Å; M1-E8 HydrophobicContact CG-CG 4.15Å; M1-E8 WeakPolarHBondContact CG-OE2 3.47Å; M1-E8 VanDerWaalsContact SD-C 3.52Å; M1-E8 HydrophobicContact SD-CB 3.69Å; M1-E8 HydrophobicContact SD-CG 3.94Å; M1-Y9 VanDerWaalsContact SD-CA 3.53Å; M1-Y9 PolarHBondContact SD-N 2.64Å; M1-Y9 VanDerWaalsContact SD-N 3.36Å; M1-N10 HydrophobicContact CE-CB 3.62Å; M1-N10 WeakPolarHBondContact CE-ND2 3.33Å; M1-N10 VanDerWaalsContact CG-ND2 3.26Å; M1-N10 WeakPolarHBondContact CG-ND2 3.36Å; M1-N10 HydrophobicContact SD-CB 3.74Å; M1-N10 PolarHBondContact SD-N 3.05Å; M1-N10 VanDerWaalsContact SD-N 3.44Å; M1-N10 PolarHBondContact SD-ND2 3.31Å; M1-R27 HydrophobicContact CE-CG 3.81Å; M1-H2082 PolarHBondContact N-O 2.76Å; M1-H2082 VanDerWaalsContact N-O 3.09Å; M1-L2145 WeakPolarHBondContact O-CD1 3.47Å
2E77.7Confident80.4Confident0 Ų018.4 Ų18.40%010%0.1CC..EExtended strand (participates in β ladder)trans-95.2101.8-158.7-65.9-177.7-160.200114.3V4 E8 Y9 K11 L2119 G2144 L2145 K2146E2-V4 PolarHBondContact O-N 3.12Å; E2-E8 CarbonylContact O-C 3.51Å; E2-E8 WeakPolarHBondContact O-CA 3.41Å; E2-Y9 WeakPolarHBondContact CA-O 3.43Å; E2-Y9 HydrophobicContact CB-CD1 3.4Å; E2-Y9 HydrophobicContact CB-CD2 4.48Å; E2-Y9 HydrophobicContact CB-CE1 3.41Å; E2-Y9 VanDerWaalsContact CB-CE1 3.41Å; E2-Y9 HydrophobicContact CB-CE2 4.47Å; E2-Y9 HydrophobicContact CB-CG 3.97Å; E2-Y9 WeakPolarHBondContact CB-O 3.3Å; E2-Y9 HydrophobicContact CG-CE1 4.34Å; E2-Y9 WeakPolarHBondContact CG-O 3.45Å; E2-Y9 PolarHBondContact N-O 3.15Å; E2-Y9 VanDerWaalsContact O-CD1 3.28Å; E2-Y9 WeakPolarHBondContact O-CD1 3.32Å; E2-Y9 PolarHBondContact O-N 2.67Å; E2-Y9 WeakPolarHBondContact OE2-CE1 3.37Å; E2-Y9 WeakPolarHBondContact OE2-CE2 3.35Å; E2-Y9 PolarHBondContact OE2-OH 2.88Å; E2-K11 VanDerWaalsContact CD-CE 3.42Å; E2-K11 WeakPolarHBondContact OE1-CB 3.39Å; E2-K11 WeakPolarHBondContact OE1-CE 3.36Å; E2-K11 IonicContact OE1-NZ 2.7Å; E2-K11 WeakPolarHBondContact OE2-CE 3.39Å; E2-L2119 HydrophobicContact CB-CD2 3.63Å; E2-L2119 HydrophobicContact CG-CD2 3.95Å; E2-G2144 WeakPolarHBondContact OE2-CA 3.42Å; E2-G2144 PolarHBondContact OE2-N 3.25Å; E2-L2145 HydrophobicContact CB-CD1 4.44Å; E2-L2145 HydrophobicContact CG-CB 3.49Å; E2-L2145 VanDerWaalsContact CG-CB 3.49Å; E2-L2145 HydrophobicContact CG-CD1 3.62Å; E2-L2145 HydrophobicContact CG-CG 3.55Å; E2-L2145 WeakPolarHBondContact OE1-CA 3.4Å; E2-L2145 VanDerWaalsContact OE1-CB 3.23Å; E2-L2145 WeakPolarHBondContact OE1-CB 3.43Å; E2-L2145 PolarHBondContact OE1-N 3.15Å; E2-L2145 PolarHBondContact OE2-N 2.94Å; E2-K2146 PolarHBondContact OE1-N 3.03Å
3A80.7Confident80.3Confident1 Ų117.7 Ų17.71%0.00810%0.096CC..EExtended strand (participates in β ladder)trans-47.6120.8168.700000113.9M1 Y7 D2085 L2119 P2122M1-A3 PolarHBondContact O-N 3.1Å; A3-Y7 CarbonylContact C-O 3.5Å; A3-Y7 WeakPolarHBondContact CA-O 3.41Å; A3-D2085 VanDerWaalsContact CB-OD1 3.28Å; A3-D2085 WeakPolarHBondContact CB-OD1 3.36Å; A3-D2085 PolarHBondContact N-OD1 3.22Å; A3-L2119 WeakPolarHBondContact CB-O 3.37Å; A3-L2119 WeakPolarHBondContact O-CD2 3.31Å; A3-P2122 WeakPolarHBondContact O-CD 3.3Å; A3-P2122 VanDerWaalsContact O-CG 3.28Å; A3-P2122 WeakPolarHBondContact O-CG 3.26Å
4V81.1Confident80.5Confident0 Ų016.8 Ų16.80%09%0.091CC..EExtended strand (participates in β ladder)trans-127.380.3159.8-141.70000107.1E2 E6 Y7 Y9 I38 I78 Y85 I87 P2122E2-V4 PolarHBondContact O-N 3.12Å; V4-E6 PolarHBondContact O-N 3.02Å; V4-Y7 PolarHBondContact N-O 3.22Å; V4-Y7 WeakPolarHBondContact O-CD2 3.4Å; V4-Y7 PolarHBondContact O-N 3.07Å; V4-Y9 HydrophobicContact CG2-CD1 3.3Å; V4-Y9 HydrophobicContact CG2-CE1 3.51Å; V4-I38 HydrophobicContact CG2-CD1 3.88Å; V4-I78 HydrophobicContact CB-CD1 4.08Å; V4-I78 HydrophobicContact CG1-CB 4.21Å; V4-I78 HydrophobicContact CG1-CD1 3.73Å; V4-I78 HydrophobicContact CG1-CG1 4.44Å; V4-I78 HydrophobicContact CG1-CG2 4.37Å; V4-I78 WeakPolarHBondContact O-CD1 3.43Å; V4-Y85 HydrophobicContact CG1-CD1 3.72Å; V4-Y85 HydrophobicContact CG1-CD2 3.27Å; V4-Y85 HydrophobicContact CG1-CE1 4.18Å; V4-Y85 HydrophobicContact CG1-CE2 3.86Å; V4-Y85 HydrophobicContact CG1-CG 3.26Å; V4-I87 HydrophobicContact CB-CD1 4Å; V4-I87 HydrophobicContact CG1-CD1 3.97Å; V4-I87 HydrophobicContact CG2-CD1 4.23Å; V4-P2122 HydrophobicContact CB-CG 4.23Å; V4-P2122 HydrophobicContact CG1-CG 3.83Å; V4-P2122 HydrophobicContact CG2-CG 3.86Å
5G83.3Confident80.5Confident26 Ų2618.4 Ų18.427%0.26810%0.099SC..THydrogen-bonded Turntrans55-112.9-166.400000111.6K29G5-K29 WeakPolarHBondContact O-CD 3.15Å; G5-K29 VanDerWaalsContact O-CE 3.28Å; G5-K29 WeakPolarHBondContact O-CE 3.49Å; G5-K29 PolarHBondContact O-NZ 2.77Å
6E84.6Confident79.9Confident102 Ų10218.8 Ų18.848%0.47711%0.109SC..THydrogen-bonded Turntrans-81.1-11.4179.7-69-58121.100115.2V4 Y28 K29V4-E6 PolarHBondContact O-N 3.02Å; E6-Y28 HydrophobicContact CB-CD1 4.44Å; E6-K29 WeakPolarHBondContact O-CB 3.36Å; E6-K29 PolarHBondContact O-N 3.4Å
7Y90.7Very high79.2Confident6 Ų619.8 Ų19.82%0.02411%0.112CC..EExtended strand (participates in β ladder)trans-92.8148.9177.1-50.2-85000110.1A3 V4 R27 Y28 K29 V36 L75 Q76 I78 I87A3-Y7 CarbonylContact C-O 3.5Å; A3-Y7 WeakPolarHBondContact CA-O 3.41Å; V4-Y7 PolarHBondContact N-O 3.22Å; V4-Y7 WeakPolarHBondContact O-CD2 3.4Å; V4-Y7 PolarHBondContact O-N 3.07Å; Y7-R27 CarbonylContact C-O 3.28Å; Y7-R27 WeakPolarHBondContact CA-O 3.4Å; Y7-Y28 HydrophobicContact CD1-CD1 4.09Å; Y7-Y28 HydrophobicContact CD1-CD2 4.16Å; Y7-Y28 HydrophobicContact CD1-CE1 4.1Å; Y7-Y28 HydrophobicContact CD1-CE2 4.21Å; Y7-Y28 HydrophobicContact CD1-CG 4.14Å; Y7-Y28 AromaticContact CE1-CD1 3.86Å; Y7-Y28 HydrophobicContact CE1-CD1 3.86Å; Y7-Y28 AromaticContact CE1-CD2 3.95Å; Y7-Y28 HydrophobicContact CE1-CD2 3.95Å; Y7-Y28 AromaticContact CE1-CE1 3.4Å; Y7-Y28 HydrophobicContact CE1-CE1 3.4Å; Y7-Y28 AromaticContact CE1-CE2 3.54Å; Y7-Y28 HydrophobicContact CE1-CE2 3.54Å; Y7-Y28 HydrophobicContact CE1-CG 4.13Å; Y7-Y28 AromaticContact CE1-CZ 3.24Å; Y7-Y28 AromaticContact CZ-CE1 3.74Å; Y7-Y28 AromaticContact CZ-CZ 3.76Å; Y7-Y28 PolarHBondContact OH-OH 3.31Å; Y7-Y28 VanDerWaalsContact OH-OH 3.08Å; Y7-K29 WeakPolarHBondContact O-CE 3.37Å; Y7-V36 HydrophobicContact CD1-CB 4.47Å; Y7-V36 HydrophobicContact CD1-CG1 3.98Å; Y7-V36 HydrophobicContact CD1-CG2 3.91Å; Y7-V36 HydrophobicContact CE1-CG1 3.99Å; Y7-L75 HydrophobicContact CE1-CD1 4.48Å; Y7-Q76 HydrophobicContact CE2-CB 3.88Å; Y7-Q76 HydrophobicContact CE2-CG 4.47Å; Y7-Q76 PolarHBondContact OH-OE1 2.96Å; Y7-I78 HydrophobicContact CD2-CD1 4.26Å; Y7-I78 HydrophobicContact CE2-CD1 4.45Å; Y7-I87 HydrophobicContact CD1-CG2 3.63Å; Y7-I87 HydrophobicContact CD2-CB 4.31Å; Y7-I87 HydrophobicContact CD2-CD1 3.8Å; Y7-I87 HydrophobicContact CD2-CG1 3.72Å; Y7-I87 HydrophobicContact CD2-CG2 3.84Å; Y7-I87 HydrophobicContact CE1-CG2 3.54Å; Y7-I87 HydrophobicContact CE2-CB 4.14Å; Y7-I87 HydrophobicContact CE2-CD1 4.37Å; Y7-I87 HydrophobicContact CE2-CG1 3.78Å; Y7-I87 HydrophobicContact CE2-CG2 3.81Å; Y7-I87 HydrophobicContact CG-CD1 4.19Å; Y7-I87 HydrophobicContact CG-CG1 4.39Å; Y7-I87 HydrophobicContact CG-CG2 3.78Å
8E85.2Confident78.3Confident36 Ų3620.6 Ų20.617%0.16813%0.125CC..EExtended strand (participates in β ladder)trans-121.3133.9162.654.7163.9-148.100109.5M1 E2 R27 K29M1-E8 HydrophobicContact CB-CB 4.14Å; M1-E8 VanDerWaalsContact CB-OE2 3.28Å; M1-E8 WeakPolarHBondContact CB-OE2 3.43Å; M1-E8 HydrophobicContact CE-CB 4.15Å; M1-E8 HydrophobicContact CE-CG 3.77Å; M1-E8 WeakPolarHBondContact CE-O 2.99Å; M1-E8 HydrophobicContact CG-CB 4.1Å; M1-E8 VanDerWaalsContact CG-CD 3.46Å; M1-E8 HydrophobicContact CG-CG 4.15Å; M1-E8 WeakPolarHBondContact CG-OE2 3.47Å; M1-E8 VanDerWaalsContact SD-C 3.52Å; M1-E8 HydrophobicContact SD-CB 3.69Å; M1-E8 HydrophobicContact SD-CG 3.94Å; E2-E8 CarbonylContact O-C 3.51Å; E2-E8 WeakPolarHBondContact O-CA 3.41Å; E8-R27 HydrophobicContact CG-CG 3.93Å; E8-R27 PolarHBondContact N-O 3.13Å; E8-R27 PolarHBondContact O-N 2.8Å; E8-R27 IonicContact OE1-CZ 3.64Å; E8-R27 IonicContact OE1-NE 2.68Å; E8-R27 PolarHBondContact OE1-NE 3.03Å; E8-R27 IonicContact OE1-NH2 2.71Å; E8-R27 PolarHBondContact OE1-NH2 2.94Å; E8-K29 HydrophobicContact CB-CG 3.7Å; E8-K29 HydrophobicContact CG-CB 4.46Å; E8-K29 HydrophobicContact CG-CG 3.84Å
9Y88.7Confident77.2Confident0 Ų022.3 Ų22.30%014%0.141CC..EExtended strand (participates in β ladder)trans-131.3143.417883.2-80.7000113.6M1 E2 V4 K11 F24 I38 Y85 P2122 G2142 Y2143 G2144 D2212M1-Y9 VanDerWaalsContact SD-CA 3.53Å; M1-Y9 PolarHBondContact SD-N 2.64Å; M1-Y9 VanDerWaalsContact SD-N 3.36Å; E2-Y9 WeakPolarHBondContact CA-O 3.43Å; E2-Y9 HydrophobicContact CB-CD1 3.4Å; E2-Y9 HydrophobicContact CB-CD2 4.48Å; E2-Y9 HydrophobicContact CB-CE1 3.41Å; E2-Y9 VanDerWaalsContact CB-CE1 3.41Å; E2-Y9 HydrophobicContact CB-CE2 4.47Å; E2-Y9 HydrophobicContact CB-CG 3.97Å; E2-Y9 WeakPolarHBondContact CB-O 3.3Å; E2-Y9 HydrophobicContact CG-CE1 4.34Å; E2-Y9 WeakPolarHBondContact CG-O 3.45Å; E2-Y9 PolarHBondContact N-O 3.15Å; E2-Y9 VanDerWaalsContact O-CD1 3.28Å; E2-Y9 WeakPolarHBondContact O-CD1 3.32Å; E2-Y9 PolarHBondContact O-N 2.67Å; E2-Y9 WeakPolarHBondContact OE2-CE1 3.37Å; E2-Y9 WeakPolarHBondContact OE2-CE2 3.35Å; E2-Y9 PolarHBondContact OE2-OH 2.88Å; V4-Y9 HydrophobicContact CG2-CD1 3.3Å; V4-Y9 HydrophobicContact CG2-CE1 3.51Å; Y9-K11 HydrophobicContact CD2-CB 4.05Å; Y9-K11 HydrophobicContact CD2-CG 4.5Å; Y9-K11 HydrophobicContact CE2-CB 3.6Å; Y9-K11 HydrophobicContact CE2-CG 3.69Å; Y9-K11 PolarHBondContact O-N 3.27Å; Y9-F24 HydrophobicContact CD2-CB 3.83Å; Y9-F24 AromaticContact CD2-CD2 3.3Å; Y9-F24 HydrophobicContact CD2-CD2 3.3Å; Y9-F24 AromaticContact CD2-CE2 3.98Å; Y9-F24 HydrophobicContact CD2-CE2 3.98Å; Y9-F24 AromaticContact CD2-CG 3.82Å; Y9-F24 HydrophobicContact CD2-CG 3.82Å; Y9-F24 HydrophobicContact CE2-CB 4.28Å; Y9-F24 AromaticContact CE2-CD2 2.92Å; Y9-F24 HydrophobicContact CE2-CD2 2.92Å; Y9-F24 AromaticContact CE2-CE2 3.11Å; Y9-F24 HydrophobicContact CE2-CE2 3.11Å; Y9-F24 AromaticContact CE2-CG 3.74Å; Y9-F24 HydrophobicContact CE2-CG 3.74Å; Y9-F24 AromaticContact CE2-CZ 3.99Å; Y9-F24 HydrophobicContact CE2-CZ 3.99Å; Y9-F24 HydrophobicContact CG-CD2 4.28Å; Y9-F24 AromaticContact CZ-CD2 3.66Å; Y9-F24 AromaticContact CZ-CE2 3.5Å; Y9-F24 WeakPolarHBondContact OH-CE2 3.47Å; Y9-I38 HydrophobicContact CD1-CD1 3.85Å; Y9-I38 HydrophobicContact CD1-CG2 4.25Å; Y9-I38 HydrophobicContact CE1-CG2 4.33Å; Y9-I38 HydrophobicContact CG-CB 4.4Å; Y9-I38 HydrophobicContact CG-CD1 3.85Å; Y9-I38 HydrophobicContact CG-CG2 4.4Å; Y9-Y85 HydrophobicContact CE1-CE1 4.2Å; Y9-P2122 HydrophobicContact CE1-CB 4.46Å; Y9-P2122 HydrophobicContact CE1-CG 3.72Å; Y9-G2142 PolarHBondContact OH-O 3.02Å; Y9-Y2143 VanDerWaalsContact OH-C 3.25Å; Y9-Y2143 WeakPolarHBondContact OH-CA 3.36Å; Y9-G2144 PolarHBondContact OH-N 2.8Å; Y9-D2212 WeakPolarHBondContact CB-OD2 3.44Å; Y9-D2212 VanDerWaalsContact CD2-OD1 3.26Å; Y9-D2212 WeakPolarHBondContact CD2-OD1 3.45Å
10N77.3Confident76.4Confident11 Ų1124.5 Ų24.56%0.05915%0.149CC..  trans-98.561.9-161.3-140-122000109M1 K12 D13 K2146 A2211 D2212 S2216M1-N10 HydrophobicContact CE-CB 3.62Å; M1-N10 WeakPolarHBondContact CE-ND2 3.33Å; M1-N10 VanDerWaalsContact CG-ND2 3.26Å; M1-N10 WeakPolarHBondContact CG-ND2 3.36Å; M1-N10 HydrophobicContact SD-CB 3.74Å; M1-N10 PolarHBondContact SD-N 3.05Å; M1-N10 VanDerWaalsContact SD-N 3.44Å; M1-N10 PolarHBondContact SD-ND2 3.31Å; N10-K12 PolarHBondContact O-N 3.01Å; N10-D13 WeakPolarHBondContact CB-OD2 3.3Å; N10-D13 WeakPolarHBondContact O-CB 3.29Å; N10-D13 PolarHBondContact OD1-OD2 3.38Å; N10-K2146 VanDerWaalsContact CA-CE 3.42Å; N10-K2146 WeakPolarHBondContact O-CD 3.23Å; N10-K2146 WeakPolarHBondContact O-CE 3.34Å; N10-K2146 PolarHBondContact O-NZ 3.5Å; N10-K2146 WeakPolarHBondContact OD1-CE 3.38Å; N10-K2146 PolarHBondContact OD1-NZ 3.08Å; N10-A2211 CarbonylContact C-O 3.58Å; N10-D2212 WeakPolarHBondContact CA-OD1 3.27Å; N10-D2212 HydrophobicContact CB-CB 3.9Å; N10-D2212 PolarHBondContact N-OD1 3.35Å; N10-S2216 WeakPolarHBondContact OD1-CB 3.43Å
11K77Confident76.1Confident0 Ų023.9 Ų23.90%015%0.146CC..THydrogen-bonded Turntrans-58.657.7-158.7-164.6-129.3-46.3-167.30122.6E2 Y9 F24 E2136 G2144 L2145 K2146 V2147 A2211 D2212E2-K11 VanDerWaalsContact CD-CE 3.42Å; E2-K11 WeakPolarHBondContact OE1-CB 3.39Å; E2-K11 WeakPolarHBondContact OE1-CE 3.36Å; E2-K11 IonicContact OE1-NZ 2.7Å; E2-K11 WeakPolarHBondContact OE2-CE 3.39Å; Y9-K11 HydrophobicContact CD2-CB 4.05Å; Y9-K11 HydrophobicContact CD2-CG 4.5Å; Y9-K11 HydrophobicContact CE2-CB 3.6Å; Y9-K11 HydrophobicContact CE2-CG 3.69Å; Y9-K11 PolarHBondContact O-N 3.27Å; K11-F24 HydrophobicContact CG-CE1 4.38Å; K11-F24 HydrophobicContact CG-CZ 4.17Å; K11-E2136 HydrophobicContact CD-CG 3.86Å; K11-E2136 WeakPolarHBondContact CD-OE1 3.37Å; K11-G2144 VanDerWaalsContact CE-C 3.41Å; K11-G2144 WeakPolarHBondContact CE-O 3.41Å; K11-G2144 VanDerWaalsContact NZ-N 3.14Å; K11-G2144 PolarHBondContact NZ-O 3.17Å; K11-L2145 PolarHBondContact NZ-O 3Å; K11-K2146 HydrophobicContact CB-CB 4.08Å; K11-K2146 HydrophobicContact CB-CG 4.41Å; K11-K2146 VanDerWaalsContact CE-N 3.34Å; K11-K2146 CarbonylContact O-C 3.59Å; K11-K2146 VanDerWaalsContact O-CB 3.31Å; K11-K2146 WeakPolarHBondContact O-CB 3.49Å; K11-V2147 HydrophobicContact CD-CG1 4.03Å; K11-V2147 VanDerWaalsContact NZ-CB 3.32Å; K11-V2147 VanDerWaalsContact NZ-CG2 3.26Å; K11-A2211 VanDerWaalsContact C-CB 3.49Å; K11-A2211 CarbonylContact C-O 3.44Å; K11-A2211 WeakPolarHBondContact CA-O 3.32Å; K11-A2211 HydrophobicContact CB-CB 3.85Å; K11-A2211 HydrophobicContact CG-CB 3.42Å; K11-A2211 VanDerWaalsContact CG-CB 3.42Å; K11-A2211 PolarHBondContact N-O 2.95Å; K11-D2212 PolarHBondContact N-OD1 2.99Å
12K73.3Confident76.9Confident0 Ų022 Ų220%014%0.137CC..THydrogen-bonded Turntrans-130.5-10.6176-107.6-172.3158.5-156.40114.1N10 K2146 V2149 G2205 N2210 A2211 R2214 Y2215 S2216N10-K12 PolarHBondContact O-N 3.01Å; K12-K2146 HydrophobicContact CB-CD 3.65Å; K12-K2146 HydrophobicContact CD-CD 3.89Å; K12-K2146 HydrophobicContact CG-CB 4.17Å; K12-K2146 HydrophobicContact CG-CD 3.59Å; K12-V2149 HydrophobicContact CD-CB 4.27Å; K12-V2149 HydrophobicContact CD-CG1 4.11Å; K12-V2149 HydrophobicContact CG-CB 4.08Å; K12-V2149 HydrophobicContact CG-CG1 4.39Å; K12-G2205 WeakPolarHBondContact CE-O 3.12Å; K12-G2205 PolarHBondContact NZ-O 3.34Å; K12-N2210 CarbonylContact C-O 3.49Å; K12-N2210 CarbonylContact O-C 3.54Å; K12-N2210 WeakPolarHBondContact O-CB 3.32Å; K12-A2211 CarbonylContact C-O 3.59Å; K12-A2211 PolarHBondContact N-O 2.94Å; K12-R2214 VanDerWaalsContact O-CB 3.27Å; K12-R2214 WeakPolarHBondContact O-CB 3.11Å; K12-R2214 WeakPolarHBondContact O-CD 3.07Å; K12-R2214 WeakPolarHBondContact O-CG 3.42Å; K12-R2214 PolarHBondContact O-NE 3.32Å; K12-R2214 PolarHBondContact O-NH1 3.09Å; K12-R2214 PolarHBondContact O-NH2 3.28Å; K12-Y2215 WeakPolarHBondContact CB-O 3.45Å; K12-Y2215 WeakPolarHBondContact CD-O 3.28Å; K12-S2216 VanDerWaalsContact CE-O 3.3Å; K12-S2216 WeakPolarHBondContact CE-O 3.27Å; K12-S2216 PolarHBondContact NZ-O 3.33Å
13D79.1Confident77.4Confident9 Ų923.1 Ų23.15%0.04814%0.144CC..BIsolated β-bridge-139.810-125.2168.455.1000107.6N10 K2146 N2210 A2211 D2212 D2213 R2214 Y2215N10-D13 WeakPolarHBondContact CB-OD2 3.3Å; N10-D13 WeakPolarHBondContact O-CB 3.29Å; N10-D13 PolarHBondContact OD1-OD2 3.38Å; D13-K2146 IonicContact OD2-NZ 3.11Å; D13-K2146 PolarHBondContact OD2-NZ 2.86Å; D13-N2210 VanDerWaalsContact C-OD1 3.24Å; D13-N2210 PolarHBondContact N-O 2.9Å; D13-N2210 PolarHBondContact O-OD1 2.96Å; D13-A2211 VanDerWaalsContact C-CA 3.49Å; D13-A2211 WeakPolarHBondContact CA-O 3.34Å; D13-A2211 WeakPolarHBondContact CB-O 3.37Å; D13-A2211 PolarHBondContact N-O 2.8Å; D13-D2212 VanDerWaalsContact C-CA 3.41Å; D13-D2212 VanDerWaalsContact CA-CA 3.41Å; D13-D2212 HydrophobicContact CB-CB 4.48Å; D13-D2212 VanDerWaalsContact CG-O 3.3Å; D13-D2212 CarbonylContact O-C 3.56Å; D13-D2212 PolarHBondContact O-N 2.74Å; D13-D2212 VanDerWaalsContact O-N 3.11Å; D13-D2212 VanDerWaalsContact OD1-C 3.24Å; D13-D2212 WeakPolarHBondContact OD2-CA 3.23Å; D13-D2213 VanDerWaalsContact CG-CA 3.41Å; D13-D2213 WeakPolarHBondContact O-CA 3.29Å; D13-D2213 PolarHBondContact O-N 2.73Å; D13-D2213 WeakPolarHBondContact OD1-CA 3.27Å; D13-D2213 PolarHBondContact OD1-N 3.33Å; D13-R2214 HydrophobicContact CB-CB 3.92Å; D13-R2214 WeakPolarHBondContact OD1-CA 3.13Å; D13-R2214 PolarHBondContact OD1-N 2.68Å; D13-Y2215 PolarHBondContact OD1-N 3.34Å
14L82.8Confident77.7Confident5 Ų523 Ų233%0.02614%0.143CC..  trans-56.5133.3-165.858.6148.1000119.8G16 H17 V22 V23 F24 L2209 N2210 A2211L14-G16 WeakPolarHBondContact CD1-O 3.49Å; L14-G16 PolarHBondContact O-N 2.83Å; L14-H17 HydrophobicContact CD1-CB 4.1Å; L14-V22 HydrophobicContact CD1-CB 4.34Å; L14-V22 HydrophobicContact CD1-CG1 3.18Å; L14-V22 HydrophobicContact CD2-CG1 3.61Å; L14-V22 HydrophobicContact CG-CG1 4.19Å; L14-V23 WeakPolarHBondContact CB-O 3.1Å; L14-V23 VanDerWaalsContact CD1-N 3.32Å; L14-V23 WeakPolarHBondContact CD1-O 3.36Å; L14-F24 HydrophobicContact CB-CD1 4.13Å; L14-F24 HydrophobicContact CD1-CD1 4.36Å; L14-F24 HydrophobicContact CD2-CD1 4.33Å; L14-F24 HydrophobicContact CD2-CE1 4.29Å; L14-L2209 WeakPolarHBondContact CG-O 3.27Å; L14-L2209 VanDerWaalsContact O-O 3.08Å; L14-N2210 HydrophobicContact CB-CB 4.41Å; L14-N2210 VanDerWaalsContact CD2-O 3.26Å; L14-N2210 WeakPolarHBondContact CD2-O 3.27Å; L14-N2210 HydrophobicContact CG-CB 4.44Å; L14-N2210 VanDerWaalsContact N-CG 3.26Å; L14-N2210 PolarHBondContact O-ND2 2.96Å; L14-A2211 HydrophobicContact CB-CB 4.04Å; L14-A2211 HydrophobicContact CD2-CB 4.08Å
15I80.8Confident78.2Confident41 Ų4124.6 Ų24.621%0.2115%0.15CC..SBendtrans-50.8-45.6160.8-35.6178.9000114.9V23 F24 K25 A37 Y90 L141I15-V23 HydrophobicContact CB-CG1 4.44Å; I15-V23 HydrophobicContact CD1-CG1 4.28Å; I15-V23 PolarHBondContact N-O 2.86Å; I15-V23 VanDerWaalsContact N-O 3.14Å; I15-F24 WeakPolarHBondContact CD1-O 3.48Å; I15-F24 WeakPolarHBondContact CG1-O 3.23Å; I15-K25 HydrophobicContact CD1-CB 4.24Å; I15-K25 HydrophobicContact CG1-CB 3.97Å; I15-A37 HydrophobicContact CD1-CB 3.43Å; I15-A37 VanDerWaalsContact CD1-CB 3.43Å; I15-Y90 HydrophobicContact CD1-CD2 3.56Å; I15-Y90 HydrophobicContact CD1-CE2 3.89Å; I15-Y90 HydrophobicContact CG1-CD2 4.18Å; I15-Y90 HydrophobicContact CG1-CE2 4.02Å; I15-L141 HydrophobicContact CG2-CD1 4.16Å; I15-L141 HydrophobicContact CG2-CD2 4.19Å
16G71.9Confident78.5Confident25 Ų2523.5 Ų23.526%0.25814%0.138SC..EExtended strand (participates in β ladder)trans177.4157.8178.100000119.8L14 V22 V23L14-G16 WeakPolarHBondContact CD1-O 3.49Å; L14-G16 PolarHBondContact O-N 2.83Å; G16-V22 CarbonylContact O-C 2.94Å; G16-V23 PolarHBondContact N-O 3.41Å; G16-V23 VanDerWaalsContact N-O 3.15Å; G16-V23 WeakPolarHBondContact O-CB 3.47Å; G16-V23 WeakPolarHBondContact O-CG2 3.4Å; G16-V23 PolarHBondContact O-N 3.44Å
17H67.6Low78.7Confident36 Ų3622.4 Ų22.417%0.16713%0.13CC..EExtended strand (participates in β ladder)trans-130.1142.4-165.6-175.890.9000112.9L14 V22 P2135 A2139 L2181 L2209L14-H17 HydrophobicContact CD1-CB 4.1Å; H17-V22 HydrophobicContact CB-CG1 4.25Å; H17-V22 WeakPolarHBondContact CE1-CG2 3.25Å; H17-V22 WeakPolarHBondContact ND1-CG1 3.3Å; H17-V22 WeakPolarHBondContact ND1-CG2 3.35Å; H17-P2135 VanDerWaalsContact CE1-CA 3.46Å; H17-P2135 WeakPolarHBondContact CE1-CA 3.32Å; H17-P2135 WeakPolarHBondContact CE1-CB 3.3Å; H17-P2135 PolarHBondContact CE1-O 3.14Å; H17-P2135 WeakPolarHBondContact ND1-CB 3.29Å; H17-A2139 WeakPolarHBondContact CE1-CB 3.24Å; H17-A2139 WeakPolarHBondContact NE2-CB 2.97Å; H17-L2181 VanDerWaalsContact CD2-C 3.49Å; H17-L2181 WeakPolarHBondContact CD2-CA 3.36Å; H17-L2181 PolarHBondContact CD2-O 2.88Å; H17-L2181 WeakPolarHBondContact NE2-CA 3.14Å; H17-L2181 VanDerWaalsContact NE2-CB 3.28Å; H17-L2181 WeakPolarHBondContact NE2-CB 3.3Å; H17-L2181 WeakPolarHBondContact NE2-CD2 3.09Å; H17-L2209 HydrophobicContact CB-CD1 3.58Å; H17-L2209 HydrophobicContact CB-CD2 3.81Å; H17-L2209 HydrophobicContact CB-CG 3.62Å
18G62.4Low78.6Confident34 Ų3424.8 Ų24.835%0.35114%0.139SC..  trans-128.2-140.4-176.400000114.6A21 A2139G18-A21 WeakPolarHBondContact CA-O 3.38Å; G18-A21 PolarHBondContact N-O 3.21Å; G18-A2139 WeakPolarHBondContact O-CB 3.2Å
19A57.1Low78.4Confident52 Ų5226.9 Ų26.943%0.4315%0.148SC..SBendtrans-114.7-20.9178.400000114.3A2139A19-A2139 VanDerWaalsContact C-CB 3.41Å; A19-A2139 WeakPolarHBondContact O-CA 3.46Å
20F60.9Low78Confident67 Ų6731.5 Ų31.529%0.29418%0.176SC..SBendtrans-142.213.6172.6-31.8-83.7000111.9I41 L52 F165 A2139 E2140F20-I41 WeakPolarHBondContact O-CG1 3.49Å; F20-I41 WeakPolarHBondContact O-CG2 3.4Å; F20-L52 HydrophobicContact CD2-CD1 3.91Å; F20-L52 HydrophobicContact CE2-CD1 4.05Å; F20-F165 HydrophobicContact CE2-CZ 4.47Å; F20-A2139 CarbonylContact C-O 3.53Å; F20-A2139 VanDerWaalsContact CA-O 3.28Å; F20-A2139 WeakPolarHBondContact CA-O 3.5Å; F20-E2140 CarbonylContact C-O 3.53Å; F20-E2140 VanDerWaalsContact O-O 3.11Å
21A72Confident78.2Confident11 Ų1137.2 Ų37.29%0.09120%0.197CC..  trans-150.6158.7166.600000112.6G18 K39 I41 A2139 E2140G18-A21 WeakPolarHBondContact CA-O 3.38Å; G18-A21 PolarHBondContact N-O 3.21Å; A21-K39 HydrophobicContact CB-CD 4.15Å; A21-K39 HydrophobicContact CB-CG 4.03Å; A21-I41 HydrophobicContact CB-CD1 4.27Å; A21-I41 HydrophobicContact CB-CG1 4.02Å; A21-A2139 CarbonylContact C-O 3.57Å; A21-A2139 WeakPolarHBondContact CA-O 3.27Å; A21-A2139 PolarHBondContact N-O 3.16Å; A21-E2140 WeakPolarHBondContact CA-O 3.13Å
22V81.3Confident78.3Confident0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-152.2141.2-172.6-166.50000106.8L14 G16 H17 F24 K39 E2136 A2139 G2141L14-V22 HydrophobicContact CD1-CB 4.34Å; L14-V22 HydrophobicContact CD1-CG1 3.18Å; L14-V22 HydrophobicContact CD2-CG1 3.61Å; L14-V22 HydrophobicContact CG-CG1 4.19Å; G16-V22 CarbonylContact O-C 2.94Å; H17-V22 HydrophobicContact CB-CG1 4.25Å; H17-V22 WeakPolarHBondContact CE1-CG2 3.25Å; H17-V22 WeakPolarHBondContact ND1-CG1 3.3Å; H17-V22 WeakPolarHBondContact ND1-CG2 3.35Å; V22-F24 HydrophobicContact CB-CE1 4.38Å; V22-F24 HydrophobicContact CG1-CE1 3.95Å; V22-K39 WeakPolarHBondContact O-CA 3.32Å; V22-K39 WeakPolarHBondContact O-CB 3.44Å; V22-K39 WeakPolarHBondContact O-CG 3.4Å; V22-E2136 HydrophobicContact CB-CB 4.41Å; V22-E2136 HydrophobicContact CG1-CB 4.03Å; V22-A2139 HydrophobicContact CG2-CB 3.84Å; V22-A2139 VanDerWaalsContact CG2-O 3.31Å; V22-A2139 WeakPolarHBondContact CG2-O 3.47Å; V22-G2141 CarbonylContact O-C 3.51Å
23V86.8Confident78.5Confident23 Ų2346.3 Ų46.314%0.13925%0.246CC..EExtended strand (participates in β ladder)trans-139.3113.9-158.5-1700000114.5L14 I15 G16 A37 I38 K39 M88L14-V23 WeakPolarHBondContact CB-O 3.1Å; L14-V23 VanDerWaalsContact CD1-N 3.32Å; L14-V23 WeakPolarHBondContact CD1-O 3.36Å; I15-V23 HydrophobicContact CB-CG1 4.44Å; I15-V23 HydrophobicContact CD1-CG1 4.28Å; I15-V23 PolarHBondContact N-O 2.86Å; I15-V23 VanDerWaalsContact N-O 3.14Å; G16-V23 PolarHBondContact N-O 3.41Å; G16-V23 VanDerWaalsContact N-O 3.15Å; G16-V23 WeakPolarHBondContact O-CB 3.47Å; G16-V23 WeakPolarHBondContact O-CG2 3.4Å; G16-V23 PolarHBondContact O-N 3.44Å; V23-A37 HydrophobicContact CG1-CB 4.39Å; V23-I38 CarbonylContact C-O 3.52Å; V23-I38 WeakPolarHBondContact CA-O 3.29Å; V23-K39 HydrophobicContact CB-CB 4.39Å; V23-K39 HydrophobicContact CG1-CB 4.27Å; V23-K39 HydrophobicContact CG2-CB 3.98Å; V23-K39 HydrophobicContact CG2-CD 3.82Å; V23-K39 HydrophobicContact CG2-CG 3.84Å; V23-M88 HydrophobicContact CG1-CE 3.53Å
24F87.6Confident78.7Confident0 Ų048.7 Ų48.70%026%0.258CS..  trans-96.3175.5-173.5-32.3-42.8000112Y9 K11 L14 I15 V22 A37 I38 E2136 G2141 G2142 A2211 D2212Y9-F24 HydrophobicContact CD2-CB 3.83Å; Y9-F24 AromaticContact CD2-CD2 3.3Å; Y9-F24 HydrophobicContact CD2-CD2 3.3Å; Y9-F24 AromaticContact CD2-CE2 3.98Å; Y9-F24 HydrophobicContact CD2-CE2 3.98Å; Y9-F24 AromaticContact CD2-CG 3.82Å; Y9-F24 HydrophobicContact CD2-CG 3.82Å; Y9-F24 HydrophobicContact CE2-CB 4.28Å; Y9-F24 AromaticContact CE2-CD2 2.92Å; Y9-F24 HydrophobicContact CE2-CD2 2.92Å; Y9-F24 AromaticContact CE2-CE2 3.11Å; Y9-F24 HydrophobicContact CE2-CE2 3.11Å; Y9-F24 AromaticContact CE2-CG 3.74Å; Y9-F24 HydrophobicContact CE2-CG 3.74Å; Y9-F24 AromaticContact CE2-CZ 3.99Å; Y9-F24 HydrophobicContact CE2-CZ 3.99Å; Y9-F24 HydrophobicContact CG-CD2 4.28Å; Y9-F24 AromaticContact CZ-CD2 3.66Å; Y9-F24 AromaticContact CZ-CE2 3.5Å; Y9-F24 WeakPolarHBondContact OH-CE2 3.47Å; K11-F24 HydrophobicContact CG-CE1 4.38Å; K11-F24 HydrophobicContact CG-CZ 4.17Å; L14-F24 HydrophobicContact CB-CD1 4.13Å; L14-F24 HydrophobicContact CD1-CD1 4.36Å; L14-F24 HydrophobicContact CD2-CD1 4.33Å; L14-F24 HydrophobicContact CD2-CE1 4.29Å; I15-F24 WeakPolarHBondContact CD1-O 3.48Å; I15-F24 WeakPolarHBondContact CG1-O 3.23Å; V22-F24 HydrophobicContact CB-CE1 4.38Å; V22-F24 HydrophobicContact CG1-CE1 3.95Å; F24-A37 CarbonylContact O-C 3.54Å; F24-A37 WeakPolarHBondContact O-CA 3.2Å; F24-A37 WeakPolarHBondContact O-CB 3.34Å; F24-I38 HydrophobicContact CB-CB 4.1Å; F24-I38 WeakPolarHBondContact CB-O 3.38Å; F24-I38 HydrophobicContact CD2-CB 3.77Å; F24-I38 HydrophobicContact CD2-CG2 3.74Å; F24-I38 WeakPolarHBondContact CD2-O 3.44Å; F24-I38 HydrophobicContact CE2-CG2 4.35Å; F24-I38 HydrophobicContact CG-CB 4.35Å; F24-I38 WeakPolarHBondContact CG-O 3.33Å; F24-I38 PolarHBondContact N-O 3.01Å; F24-I38 PolarHBondContact O-N 2.84Å; F24-E2136 HydrophobicContact CE1-CB 3.69Å; F24-E2136 HydrophobicContact CZ-CB 3.64Å; F24-G2141 WeakPolarHBondContact CE2-O 3.31Å; F24-G2141 VanDerWaalsContact CZ-C 3.47Å; F24-G2141 WeakPolarHBondContact CZ-O 3.33Å; F24-G2142 VanDerWaalsContact CE2-O 3.31Å; F24-G2142 WeakPolarHBondContact CE2-O 2.99Å; F24-G2142 VanDerWaalsContact CZ-N 3.27Å; F24-A2211 HydrophobicContact CB-CB 3.64Å; F24-A2211 HydrophobicContact CD1-CB 2.93Å; F24-A2211 HydrophobicContact CD2-CB 4.27Å; F24-A2211 HydrophobicContact CE1-CB 3.38Å; F24-A2211 HydrophobicContact CG-CB 3.37Å; F24-A2211 HydrophobicContact CZ-CB 4.2Å; F24-D2212 VanDerWaalsContact C-OD2 3.31Å; F24-D2212 WeakPolarHBondContact CB-OD2 3.45Å
25K91.4Very high78.9Confident33 Ų3351.3 Ų51.314%0.14327%0.274CS..  trans-115.351.7178.6172.3-107.7-177.993.10113.9I15 V36 Y90 D2212 D2213I15-K25 HydrophobicContact CD1-CB 4.24Å; I15-K25 HydrophobicContact CG1-CB 3.97Å; K25-V36 CarbonylContact C-O 3.58Å; K25-V36 WeakPolarHBondContact CA-O 3.14Å; K25-Y90 HydrophobicContact CB-CD2 3.84Å; K25-Y90 HydrophobicContact CB-CE2 3.86Å; K25-Y90 HydrophobicContact CD-CE1 4.28Å; K25-Y90 HydrophobicContact CG-CD1 3.87Å; K25-Y90 HydrophobicContact CG-CD2 3.36Å; K25-Y90 HydrophobicContact CG-CE1 3.76Å; K25-Y90 HydrophobicContact CG-CE2 3.34Å; K25-Y90 HydrophobicContact CG-CG 3.69Å; K25-Y90 VanDerWaalsContact NZ-CE1 3.34Å; K25-D2212 VanDerWaalsContact C-CB 3.41Å; K25-D2212 VanDerWaalsContact CA-OD2 3.24Å; K25-D2212 WeakPolarHBondContact CA-OD2 3.48Å; K25-D2212 HydrophobicContact CB-CB 3.73Å; K25-D2212 HydrophobicContact CD-CB 4.23Å; K25-D2212 WeakPolarHBondContact CD-O 3.25Å; K25-D2212 VanDerWaalsContact N-CG 3.29Å; K25-D2212 PolarHBondContact N-OD2 3.42Å; K25-D2212 VanDerWaalsContact O-CB 3.26Å; K25-D2212 WeakPolarHBondContact O-CB 3.08Å; K25-D2213 WeakPolarHBondContact CD-OD2 3.4Å; K25-D2213 IonicContact NZ-OD1 3.18Å; K25-D2213 PolarHBondContact NZ-OD1 3.28Å; K25-D2213 IonicContact NZ-OD2 3.31Å; K25-D2213 PolarHBondContact NZ-OD2 2.7Å
26G89Confident79.5Confident2 Ų249.3 Ų49.32%0.02126%0.264CS..  trans-61.4-174-167.400000115.5T35 V36 D2212G26-T35 CarbonylContact O-C 3.4Å; G26-T35 VanDerWaalsContact O-CA 3.23Å; G26-T35 WeakPolarHBondContact O-CA 3.46Å; G26-V36 PolarHBondContact N-O 3.47Å; G26-V36 WeakPolarHBondContact O-CG2 3.34Å; G26-V36 PolarHBondContact O-N 3.18Å; G26-D2212 VanDerWaalsContact CA-OD2 3.26Å; G26-D2212 WeakPolarHBondContact CA-OD2 3.38Å; G26-D2212 PolarHBondContact N-OD2 2.58Å
27R90.1Very high80.4Confident79 Ų7948.2 Ų48.230%0.29825%0.252SS..EExtended strand (participates in β ladder)trans-141.8169.6166.565.8-165.4-176.2-139-5.6111.6M1 Y7 E8 P32 I34M1-R27 HydrophobicContact CE-CG 3.81Å; Y7-R27 CarbonylContact C-O 3.28Å; Y7-R27 WeakPolarHBondContact CA-O 3.4Å; E8-R27 HydrophobicContact CG-CG 3.93Å; E8-R27 PolarHBondContact N-O 3.13Å; E8-R27 PolarHBondContact O-N 2.8Å; E8-R27 IonicContact OE1-CZ 3.64Å; E8-R27 IonicContact OE1-NE 2.68Å; E8-R27 PolarHBondContact OE1-NE 3.03Å; E8-R27 IonicContact OE1-NH2 2.71Å; E8-R27 PolarHBondContact OE1-NH2 2.94Å; R27-P32 HydrophobicContact CG-CB 4.36Å; R27-I34 CarbonylContact C-O 3.53Å; R27-I34 WeakPolarHBondContact CA-O 3.5Å; R27-I34 WeakPolarHBondContact CB-O 3.42Å
28Y87.6Confident81.5Confident57 Ų5746.5 Ų46.522%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-76.3135.9171.2-83.3-94.8000111E6 Y7 T30 R31 P32 I34 V36E6-Y28 HydrophobicContact CB-CD1 4.44Å; Y7-Y28 HydrophobicContact CD1-CD1 4.09Å; Y7-Y28 HydrophobicContact CD1-CD2 4.16Å; Y7-Y28 HydrophobicContact CD1-CE1 4.1Å; Y7-Y28 HydrophobicContact CD1-CE2 4.21Å; Y7-Y28 HydrophobicContact CD1-CG 4.14Å; Y7-Y28 AromaticContact CE1-CD1 3.86Å; Y7-Y28 HydrophobicContact CE1-CD1 3.86Å; Y7-Y28 AromaticContact CE1-CD2 3.95Å; Y7-Y28 HydrophobicContact CE1-CD2 3.95Å; Y7-Y28 AromaticContact CE1-CE1 3.4Å; Y7-Y28 HydrophobicContact CE1-CE1 3.4Å; Y7-Y28 AromaticContact CE1-CE2 3.54Å; Y7-Y28 HydrophobicContact CE1-CE2 3.54Å; Y7-Y28 HydrophobicContact CE1-CG 4.13Å; Y7-Y28 AromaticContact CE1-CZ 3.24Å; Y7-Y28 AromaticContact CZ-CE1 3.74Å; Y7-Y28 AromaticContact CZ-CZ 3.76Å; Y7-Y28 PolarHBondContact OH-OH 3.31Å; Y7-Y28 VanDerWaalsContact OH-OH 3.08Å; Y28-T30 VanDerWaalsContact C-N 3.33Å; Y28-T30 PolarHBondContact O-N 2.92Å; Y28-R31 WeakPolarHBondContact CB-O 3.44Å; Y28-R31 CarbonylContact O-C 3.52Å; Y28-R31 PolarHBondContact O-N 3.49Å; Y28-R31 VanDerWaalsContact O-N 3.17Å; Y28-P32 WeakPolarHBondContact O-CA 3.11Å; Y28-P32 VanDerWaalsContact O-N 3.15Å; Y28-I34 HydrophobicContact CD2-CB 3.77Å; Y28-I34 HydrophobicContact CD2-CD1 4.41Å; Y28-I34 HydrophobicContact CD2-CG2 3.6Å; Y28-I34 HydrophobicContact CE2-CB 4.4Å; Y28-I34 HydrophobicContact CE2-CG2 3.76Å; Y28-I34 PolarHBondContact N-O 3.23Å; Y28-I34 VanDerWaalsContact N-O 3.15Å; Y28-V36 HydrophobicContact CD2-CG1 4.05Å; Y28-V36 HydrophobicContact CE2-CG1 3.95Å
29K82.2Confident82.7Confident80 Ų8045 Ų4535%0.34823%0.228SC..THydrogen-bonded Turntrans-56.9-45.8174.1-74.8176175.8174.80112.6G5 E6 Y7 E8 R31G5-K29 WeakPolarHBondContact O-CD 3.15Å; G5-K29 VanDerWaalsContact O-CE 3.28Å; G5-K29 WeakPolarHBondContact O-CE 3.49Å; G5-K29 PolarHBondContact O-NZ 2.77Å; E6-K29 WeakPolarHBondContact O-CB 3.36Å; E6-K29 PolarHBondContact O-N 3.4Å; Y7-K29 WeakPolarHBondContact O-CE 3.37Å; E8-K29 HydrophobicContact CB-CG 3.7Å; E8-K29 HydrophobicContact CG-CB 4.46Å; E8-K29 HydrophobicContact CG-CG 3.84Å; K29-R31 VanDerWaalsContact C-N 3.29Å
30T80Confident84.1Confident97 Ų9742.6 Ų42.660%0.59521%0.208SC*.THydrogen-bonded Turntrans-80.2-13.1-178.3480000112.7Y28Y28-T30 VanDerWaalsContact C-N 3.33Å; Y28-T30 PolarHBondContact O-N 2.92Å
31R81.9Confident85Confident131 Ų13139.5 Ų39.549%0.49420%0.195SC..EExtended strand (participates in β ladder)trans-149.168-170.4-60.1-162.768.51660.2111.3Y28 K29 E33 I34Y28-R31 WeakPolarHBondContact CB-O 3.44Å; Y28-R31 CarbonylContact O-C 3.52Å; Y28-R31 PolarHBondContact O-N 3.49Å; Y28-R31 VanDerWaalsContact O-N 3.17Å; K29-R31 VanDerWaalsContact C-N 3.29Å; R31-E33 WeakPolarHBondContact CA-OE2 3.46Å; R31-E33 WeakPolarHBondContact CB-OE2 3.47Å; R31-E33 IonicContact CZ-OE1 2.7Å; R31-E33 IonicContact NE-OE1 2.68Å; R31-E33 PolarHBondContact NE-OE1 2.66Å; R31-E33 IonicContact NH2-OE1 3.97Å; R31-E33 PolarHBondContact NH2-OE1 3.43Å; R31-E33 PolarHBondContact O-N 3.38Å; R31-I34 HydrophobicContact CB-CD1 3.94Å; R31-I34 HydrophobicContact CB-CG1 4.17Å; R31-I34 PolarHBondContact O-N 3.4Å
32P77.9Confident85.1Confident73 Ų7339 Ų3947%0.47419%0.19SC..EExtended strand (participates in β ladder)trans-64.9-9.7-174.127.4-35.8000113.7R27 Y28 I34R27-P32 HydrophobicContact CG-CB 4.36Å; Y28-P32 WeakPolarHBondContact O-CA 3.11Å; Y28-P32 VanDerWaalsContact O-N 3.15Å; P32-I34 PolarHBondContact O-N 3.26Å
33E78.2Confident84.4Confident117 Ų11742.2 Ų42.255%0.54720%0.204SC..EExtended strand (participates in β ladder)trans-70.2-16.4169.479.8-77.3-172.300113.8R31R31-E33 WeakPolarHBondContact CA-OE2 3.46Å; R31-E33 WeakPolarHBondContact CB-OE2 3.47Å; R31-E33 IonicContact CZ-OE1 2.7Å; R31-E33 IonicContact NE-OE1 2.68Å; R31-E33 PolarHBondContact NE-OE1 2.66Å; R31-E33 IonicContact NH2-OE1 3.97Å; R31-E33 PolarHBondContact NH2-OE1 3.43Å; R31-E33 PolarHBondContact O-N 3.38Å
34I83.6Confident83.1Confident60 Ų6045.2 Ų45.231%0.30822%0.215SC..EExtended strand (participates in β ladder)trans-101.6100.9-178.6-53.5179.1000109.7R27 Y28 R31 P32R27-I34 CarbonylContact C-O 3.53Å; R27-I34 WeakPolarHBondContact CA-O 3.5Å; R27-I34 WeakPolarHBondContact CB-O 3.42Å; Y28-I34 HydrophobicContact CD2-CB 3.77Å; Y28-I34 HydrophobicContact CD2-CD1 4.41Å; Y28-I34 HydrophobicContact CD2-CG2 3.6Å; Y28-I34 HydrophobicContact CE2-CB 4.4Å; Y28-I34 HydrophobicContact CE2-CG2 3.76Å; Y28-I34 PolarHBondContact N-O 3.23Å; Y28-I34 VanDerWaalsContact N-O 3.15Å; R31-I34 HydrophobicContact CB-CD1 3.94Å; R31-I34 HydrophobicContact CB-CG1 4.17Å; R31-I34 PolarHBondContact O-N 3.4Å; P32-I34 PolarHBondContact O-N 3.26Å
35T87.5Confident81.4Confident59 Ų5947.5 Ų47.536%0.36223%0.228SC..EExtended strand (participates in β ladder)trans-78.6139.6172.3510000112.4G26 Y90G26-T35 CarbonylContact O-C 3.4Å; G26-T35 VanDerWaalsContact O-CA 3.23Å; G26-T35 WeakPolarHBondContact O-CA 3.46Å; T35-Y90 HydrophobicContact CG2-CD1 4.28Å; T35-Y90 WeakPolarHBondContact OG1-CD1 3.19Å
36V91.8Very high79.8Confident0 Ų046.8 Ų46.80%023%0.225CC..EExtended strand (participates in β ladder)trans-125.9179.4-179.6-57.40000109.4Y7 K25 G26 Y28 I38 L75 I87 M88 Y90Y7-V36 HydrophobicContact CD1-CB 4.47Å; Y7-V36 HydrophobicContact CD1-CG1 3.98Å; Y7-V36 HydrophobicContact CD1-CG2 3.91Å; Y7-V36 HydrophobicContact CE1-CG1 3.99Å; K25-V36 CarbonylContact C-O 3.58Å; K25-V36 WeakPolarHBondContact CA-O 3.14Å; G26-V36 PolarHBondContact N-O 3.47Å; G26-V36 WeakPolarHBondContact O-CG2 3.34Å; G26-V36 PolarHBondContact O-N 3.18Å; Y28-V36 HydrophobicContact CD2-CG1 4.05Å; Y28-V36 HydrophobicContact CE2-CG1 3.95Å; V36-I38 HydrophobicContact CG2-CD1 3.95Å; V36-I38 HydrophobicContact CG2-CG1 3.84Å; V36-L75 HydrophobicContact CB-CD1 3.99Å; V36-L75 HydrophobicContact CG1-CD1 3.42Å; V36-L75 VanDerWaalsContact CG1-CD1 3.42Å; V36-I87 HydrophobicContact CB-CG2 4.12Å; V36-I87 HydrophobicContact CG2-CG2 4.01Å; V36-M88 CarbonylContact C-O 3.48Å; V36-M88 VanDerWaalsContact CA-O 3.3Å; V36-M88 WeakPolarHBondContact CA-O 3.4Å; V36-M88 VanDerWaalsContact CB-O 3.25Å; V36-M88 WeakPolarHBondContact CB-O 3.44Å; V36-Y90 WeakPolarHBondContact O-CB 3.14Å
37A91.1Very high77.9Confident2 Ų251.8 Ų51.82%0.01726%0.26CS..EExtended strand (participates in β ladder)trans-130.9121175.400000111.8I15 V23 F24 M88 E89I15-A37 HydrophobicContact CD1-CB 3.43Å; I15-A37 VanDerWaalsContact CD1-CB 3.43Å; V23-A37 HydrophobicContact CG1-CB 4.39Å; F24-A37 CarbonylContact O-C 3.54Å; F24-A37 WeakPolarHBondContact O-CA 3.2Å; F24-A37 WeakPolarHBondContact O-CB 3.34Å; A37-M88 HydrophobicContact CB-CB 4.13Å; A37-M88 HydrophobicContact CB-CE 4.24Å; A37-M88 PolarHBondContact N-O 3.39Å; A37-M88 VanDerWaalsContact O-CA 3.28Å; A37-M88 WeakPolarHBondContact O-CA 3.3Å; A37-M88 WeakPolarHBondContact O-CB 3.41Å; A37-M88 PolarHBondContact O-N 2.71Å; A37-E89 VanDerWaalsContact CB-O 3.23Å; A37-E89 WeakPolarHBondContact CB-O 3.36Å
38I90.6Very high75.8Confident0 Ų054.9 Ų54.90%028%0.276CS..EExtended strand (participates in β ladder)trans-113121.3-163.9-58.1-162.5000111.6V4 Y9 V23 F24 V36 Y85 I87V4-I38 HydrophobicContact CG2-CD1 3.88Å; Y9-I38 HydrophobicContact CD1-CD1 3.85Å; Y9-I38 HydrophobicContact CD1-CG2 4.25Å; Y9-I38 HydrophobicContact CE1-CG2 4.33Å; Y9-I38 HydrophobicContact CG-CB 4.4Å; Y9-I38 HydrophobicContact CG-CD1 3.85Å; Y9-I38 HydrophobicContact CG-CG2 4.4Å; V23-I38 CarbonylContact C-O 3.52Å; V23-I38 WeakPolarHBondContact CA-O 3.29Å; F24-I38 HydrophobicContact CB-CB 4.1Å; F24-I38 WeakPolarHBondContact CB-O 3.38Å; F24-I38 HydrophobicContact CD2-CB 3.77Å; F24-I38 HydrophobicContact CD2-CG2 3.74Å; F24-I38 WeakPolarHBondContact CD2-O 3.44Å; F24-I38 HydrophobicContact CE2-CG2 4.35Å; F24-I38 HydrophobicContact CG-CB 4.35Å; F24-I38 WeakPolarHBondContact CG-O 3.33Å; F24-I38 PolarHBondContact N-O 3.01Å; F24-I38 PolarHBondContact O-N 2.84Å; V36-I38 HydrophobicContact CG2-CD1 3.95Å; V36-I38 HydrophobicContact CG2-CG1 3.84Å; I38-Y85 HydrophobicContact CG2-CD1 3.36Å; I38-Y85 HydrophobicContact CG2-CE1 3.85Å; I38-Y85 HydrophobicContact CG2-CG 4.46Å; I38-I87 HydrophobicContact CD1-CD1 3.64Å; I38-I87 HydrophobicContact CD1-CG2 4.4Å; I38-I87 HydrophobicContact CG1-CD1 3.97Å; I38-I87 HydrophobicContact CG1-CG2 4.25Å; I38-I87 HydrophobicContact CG2-CD1 3.97Å
39K88.9Confident74.2Confident3 Ų352.1 Ų52.11%0.01327%0.265CS..EExtended strand (participates in β ladder)trans-132.9133.7-173172.5-172.7-169.2-173.70111.9A21 V22 V23 I41 E56 Y85 L86 M88 D162 G2141A21-K39 HydrophobicContact CB-CD 4.15Å; A21-K39 HydrophobicContact CB-CG 4.03Å; V22-K39 WeakPolarHBondContact O-CA 3.32Å; V22-K39 WeakPolarHBondContact O-CB 3.44Å; V22-K39 WeakPolarHBondContact O-CG 3.4Å; V23-K39 HydrophobicContact CB-CB 4.39Å; V23-K39 HydrophobicContact CG1-CB 4.27Å; V23-K39 HydrophobicContact CG2-CB 3.98Å; V23-K39 HydrophobicContact CG2-CD 3.82Å; V23-K39 HydrophobicContact CG2-CG 3.84Å; K39-I41 HydrophobicContact CG-CD1 4.13Å; K39-E56 WeakPolarHBondContact CE-OE2 3.45Å; K39-E56 IonicContact NZ-OE1 3.36Å; K39-E56 PolarHBondContact NZ-OE1 3.39Å; K39-E56 IonicContact NZ-OE2 3.25Å; K39-E56 PolarHBondContact NZ-OE2 3.38Å; K39-Y85 CarbonylContact O-C 2.73Å; K39-L86 HydrophobicContact CB-CB 4.13Å; K39-L86 HydrophobicContact CD-CD1 3.92Å; K39-L86 HydrophobicContact CG-CD1 4.05Å; K39-L86 PolarHBondContact N-O 2.67Å; K39-L86 WeakPolarHBondContact O-CA 3.23Å; K39-L86 WeakPolarHBondContact O-CB 3.17Å; K39-L86 WeakPolarHBondContact O-CG 3.5Å; K39-L86 PolarHBondContact O-N 3.12Å; K39-M88 HydrophobicContact CB-CE 3.6Å; K39-M88 HydrophobicContact CB-SD 4.31Å; K39-M88 HydrophobicContact CD-CE 3.96Å; K39-M88 HydrophobicContact CD-SD 4.15Å; K39-M88 HydrophobicContact CG-CE 4.42Å; K39-D162 IonicContact NZ-OD1 2.75Å; K39-D162 PolarHBondContact NZ-OD1 3.23Å; K39-G2141 CarbonylContact C-O 3.55Å
40S85.1Confident73.2Confident0 Ų054.1 Ų54.10%027%0.273CS..EExtended strand (participates in β ladder)trans-157.4101.9-158.78.20000119T42 H83 V84 Y85 E2140 G2141 G2142S40-T42 PolarHBondContact O-N 3.42Å; S40-H83 PolarHBondContact O-CD2 3.16Å; S40-V84 WeakPolarHBondContact CA-O 3.12Å; S40-Y85 WeakPolarHBondContact OG-CD1 3.19Å; S40-Y85 WeakPolarHBondContact OG-CE1 3.43Å; S40-E2140 CarbonylContact O-C 3.28Å; S40-E2140 VanDerWaalsContact O-C 3.26Å; S40-G2141 VanDerWaalsContact C-CA 3.48Å; S40-G2141 WeakPolarHBondContact CA-O 3.22Å; S40-G2141 WeakPolarHBondContact CB-O 3.27Å; S40-G2141 PolarHBondContact N-O 3.02Å; S40-G2141 CarbonylContact O-C 3.44Å; S40-G2141 VanDerWaalsContact O-C 3.24Å; S40-G2141 WeakPolarHBondContact O-CA 3.5Å; S40-G2141 PolarHBondContact O-N 2.87Å; S40-G2141 PolarHBondContact OG-O 2.75Å; S40-G2142 VanDerWaalsContact CB-CA 3.49Å; S40-G2142 WeakPolarHBondContact O-CA 3.45Å; S40-G2142 PolarHBondContact O-N 3.03Å; S40-G2142 WeakPolarHBondContact OG-CA 3.31Å; S40-G2142 PolarHBondContact OG-O 3.46Å; S40-G2142 VanDerWaalsContact OG-O 3.13Å
41I79.7Confident72.3Confident3 Ų355.4 Ų55.42%0.01528%0.277CS..  trans-86.677.5-154.5-58.770.9000118.7F20 A21 K39 L46 L53 L86 F2124 E2140F20-I41 WeakPolarHBondContact O-CG1 3.49Å; F20-I41 WeakPolarHBondContact O-CG2 3.4Å; A21-I41 HydrophobicContact CB-CD1 4.27Å; A21-I41 HydrophobicContact CB-CG1 4.02Å; K39-I41 HydrophobicContact CG-CD1 4.13Å; I41-L46 HydrophobicContact CG2-CD1 4.08Å; I41-L46 WeakPolarHBondContact O-CD1 3.43Å; I41-L53 HydrophobicContact CB-CB 4.35Å; I41-L53 HydrophobicContact CB-CD1 3.76Å; I41-L53 HydrophobicContact CB-CD2 4.06Å; I41-L53 HydrophobicContact CB-CG 4.25Å; I41-L53 HydrophobicContact CD1-CD1 3.65Å; I41-L53 HydrophobicContact CG1-CD1 3.82Å; I41-L53 HydrophobicContact CG2-CB 4.12Å; I41-L53 HydrophobicContact CG2-CD1 4.45Å; I41-L53 HydrophobicContact CG2-CD2 4.39Å; I41-L86 HydrophobicContact CD1-CD1 3.56Å; I41-L86 HydrophobicContact CD1-CG 4.15Å; I41-F2124 HydrophobicContact CB-CE2 4.25Å; I41-F2124 VanDerWaalsContact N-CE2 3.33Å; I41-F2124 WeakPolarHBondContact O-CD2 3.46Å; I41-F2124 WeakPolarHBondContact O-CE1 3.18Å; I41-F2124 WeakPolarHBondContact O-CE2 3.21Å; I41-F2124 WeakPolarHBondContact O-CZ 3.25Å; I41-E2140 WeakPolarHBondContact CA-O 3.33Å; I41-E2140 HydrophobicContact CG2-CB 4.04Å
42T73.9Confident71.5Confident0 Ų051.1 Ų51.10%026%0.263CS..  trans-19.2144.2-178.8-56.10000120.2S40 K44 L46 H83 F2124 I2126 E2140S40-T42 PolarHBondContact O-N 3.42Å; T42-K44 VanDerWaalsContact C-N 3.33Å; T42-K44 PolarHBondContact O-N 3.35Å; T42-L46 WeakPolarHBondContact O-CB 3.27Å; T42-L46 WeakPolarHBondContact O-CD1 3.44Å; T42-L46 PolarHBondContact O-N 3.39Å; T42-H83 WeakPolarHBondContact CB-NE2 3.25Å; T42-H83 PolarHBondContact OG1-CD2 3.45Å; T42-H83 PolarHBondContact OG1-NE2 2.7Å; T42-F2124 VanDerWaalsContact C-CG 3.43Å; T42-F2124 VanDerWaalsContact CA-CD2 3.44Å; T42-F2124 HydrophobicContact CG2-CB 4.44Å; T42-I2126 HydrophobicContact CG2-CB 4.45Å; T42-I2126 HydrophobicContact CG2-CD1 4.4Å; T42-I2126 HydrophobicContact CG2-CG1 3.44Å; T42-I2126 VanDerWaalsContact CG2-CG1 3.44Å; T42-I2126 VanDerWaalsContact CG2-N 3.32Å; T42-E2140 WeakPolarHBondContact CB-OE1 3.41Å; T42-E2140 WeakPolarHBondContact CG2-OE1 3.32Å; T42-E2140 VanDerWaalsContact O-OE2 3.12Å; T42-E2140 WeakPolarHBondContact OG1-CA 3.33Å
43K68.3Low70.9Confident67 Ų6748 Ų4829%0.29124%0.243SC..THydrogen-bonded Turntrans-83.7-9.8-163.8-128140.7-135.3158.20111.7L46 E79 T80 S82 F2124K43-L46 HydrophobicContact CG-CD2 4.34Å; K43-L46 WeakPolarHBondContact O-CB 2.9Å; K43-E79 VanDerWaalsContact CE-OE1 3.25Å; K43-E79 WeakPolarHBondContact CE-OE1 3.44Å; K43-E79 IonicContact NZ-OE1 3.19Å; K43-E79 PolarHBondContact NZ-OE1 3.26Å; K43-T80 PolarHBondContact NZ-O 2.96Å; K43-S82 PolarHBondContact NZ-O 3.39Å; K43-F2124 HydrophobicContact CB-CB 3.76Å; K43-F2124 HydrophobicContact CB-CD1 3.3Å; K43-F2124 HydrophobicContact CB-CE1 4.11Å; K43-F2124 HydrophobicContact CB-CG 4.02Å; K43-F2124 WeakPolarHBondContact CB-O 3.28Å; K43-F2124 HydrophobicContact CD-CB 4.37Å; K43-F2124 HydrophobicContact CD-CD1 3.4Å; K43-F2124 HydrophobicContact CD-CE1 3.94Å; K43-F2124 HydrophobicContact CD-CG 4.41Å; K43-F2124 VanDerWaalsContact CE-CE1 3.46Å; K43-F2124 HydrophobicContact CG-CB 4.48Å; K43-F2124 HydrophobicContact CG-CD1 3.29Å; K43-F2124 HydrophobicContact CG-CE1 3.74Å; K43-F2124 HydrophobicContact CG-CG 4.4Å; K43-F2124 VanDerWaalsContact N-CB 3.25Å; K43-F2124 VanDerWaalsContact N-CG 3.27Å
44K59.6Low70.4Confident86 Ų8645.8 Ų45.837%0.37424%0.24SC..THydrogen-bonded Turntrans-95.9-51.1-168.9-62.1-166.4-170.1161.50111.5T42 L46 S47 D2125 I2126T42-K44 VanDerWaalsContact C-N 3.33Å; T42-K44 PolarHBondContact O-N 3.35Å; K44-L46 PolarHBondContact O-N 3.4Å; K44-S47 WeakPolarHBondContact O-CB 3.39Å; K44-S47 PolarHBondContact O-N 3.11Å; K44-S47 PolarHBondContact O-OG 2.91Å; K44-D2125 WeakPolarHBondContact CE-OD1 3.38Å; K44-D2125 IonicContact NZ-OD1 2.93Å; K44-D2125 PolarHBondContact NZ-OD1 2.84Å; K44-D2125 VanDerWaalsContact NZ-OD1 3.17Å; K44-I2126 HydrophobicContact CB-CB 4.35Å; K44-I2126 HydrophobicContact CB-CG1 4.28Å; K44-I2126 HydrophobicContact CD-CB 4.2Å; K44-I2126 VanDerWaalsContact CD-O 3.28Å; K44-I2126 WeakPolarHBondContact CD-O 3.17Å; K44-I2126 PolarHBondContact NZ-O 3.46Å
45N50.6Low69.8Low49 Ų4947.2 Ų47.226%0.26224%0.244SC..THydrogen-bonded Turntrans-79.3-1.2163.8-31.1-34.1000111.7S47 K48 S49 I2126 L2138 E2140N45-S47 PolarHBondContact O-N 2.96Å; N45-K48 CarbonylContact O-C 3.54Å; N45-K48 VanDerWaalsContact O-CA 3.27Å; N45-K48 WeakPolarHBondContact O-CA 3.46Å; N45-K48 WeakPolarHBondContact O-CB 3.34Å; N45-K48 PolarHBondContact O-N 2.92Å; N45-S49 PolarHBondContact O-N 3.18Å; N45-S49 PolarHBondContact O-OG 2.91Å; N45-I2126 WeakPolarHBondContact ND2-CD1 3.5Å; N45-I2126 WeakPolarHBondContact OD1-CD1 3.17Å; N45-L2138 PolarHBondContact ND2-O 2.9Å; N45-L2138 VanDerWaalsContact ND2-O 3.07Å; N45-E2140 WeakPolarHBondContact CA-OE1 3.31Å; N45-E2140 WeakPolarHBondContact CA-OE2 2.95Å; N45-E2140 HydrophobicContact CB-CG 4Å; N45-E2140 VanDerWaalsContact CB-OE1 3.24Å; N45-E2140 WeakPolarHBondContact CB-OE1 3.48Å; N45-E2140 VanDerWaalsContact CB-OE2 3.28Å; N45-E2140 WeakPolarHBondContact CB-OE2 3.45Å; N45-E2140 PolarHBondContact N-OE1 2.91Å
46L59Low69.3Low17 Ų1744.6 Ų44.69%0.08923%0.228CC..Hα-helixtrans-48.8-27.1157.7-131.282.4000113I41 T42 K43 K44 K48 S49 K50 L53 F2124 E2140I41-L46 HydrophobicContact CG2-CD1 4.08Å; I41-L46 WeakPolarHBondContact O-CD1 3.43Å; T42-L46 WeakPolarHBondContact O-CB 3.27Å; T42-L46 WeakPolarHBondContact O-CD1 3.44Å; T42-L46 PolarHBondContact O-N 3.39Å; K43-L46 HydrophobicContact CG-CD2 4.34Å; K43-L46 WeakPolarHBondContact O-CB 2.9Å; K44-L46 PolarHBondContact O-N 3.4Å; L46-K48 PolarHBondContact O-N 3.15Å; L46-S49 WeakPolarHBondContact CA-OG 3.31Å; L46-S49 PolarHBondContact N-OG 3.23Å; L46-S49 PolarHBondContact O-N 3.19Å; L46-K50 HydrophobicContact CB-CB 4.41Å; L46-K50 HydrophobicContact CD2-CB 3.97Å; L46-K50 HydrophobicContact CD2-CD 3.94Å; L46-K50 HydrophobicContact CD2-CG 3.86Å; L46-K50 HydrophobicContact CG-CB 3.7Å; L46-K50 HydrophobicContact CG-CG 4.16Å; L46-K50 WeakPolarHBondContact O-CB 3.49Å; L46-K50 PolarHBondContact O-N 3.21Å; L46-L53 HydrophobicContact CD1-CD2 3.81Å; L46-F2124 HydrophobicContact CD1-CD1 4.49Å; L46-F2124 HydrophobicContact CD1-CE1 3.65Å; L46-F2124 HydrophobicContact CD1-CZ 3.72Å; L46-F2124 HydrophobicContact CD2-CE1 3.88Å; L46-F2124 HydrophobicContact CG-CE1 4.37Å; L46-E2140 PolarHBondContact N-OE1 3.49Å; L46-E2140 PolarHBondContact N-OE2 2.99Å
47S49.1Very low68.6Low107 Ų10746 Ų4675%0.74824%0.235SC*.Hα-helixtrans-54.3-34.8167.458.50000113.8K44 N45K44-S47 WeakPolarHBondContact O-CB 3.39Å; K44-S47 PolarHBondContact O-N 3.11Å; K44-S47 PolarHBondContact O-OG 2.91Å; N45-S47 PolarHBondContact O-N 2.96Å
48K46.3Very low68.1Low144 Ų14451.2 Ų51.263%0.62626%0.257SS*.Hα-helixtrans-90.9-41.3166.6-63.5-172.9176.8-173.20112.7N45 L46N45-K48 CarbonylContact O-C 3.54Å; N45-K48 VanDerWaalsContact O-CA 3.27Å; N45-K48 WeakPolarHBondContact O-CA 3.46Å; N45-K48 WeakPolarHBondContact O-CB 3.34Å; N45-K48 PolarHBondContact O-N 2.92Å; L46-K48 PolarHBondContact O-N 3.15Å
49S53.2Low67.7Low0 Ų051.2 Ų51.20%026%0.257CS..Hα-helixtrans-100.4-11.9-16274.40000116.4N45 L46 N51 L52 L53 E2140N45-S49 PolarHBondContact O-N 3.18Å; N45-S49 PolarHBondContact O-OG 2.91Å; L46-S49 WeakPolarHBondContact CA-OG 3.31Å; L46-S49 PolarHBondContact N-OG 3.23Å; L46-S49 PolarHBondContact O-N 3.19Å; S49-N51 PolarHBondContact O-N 3.48Å; S49-L52 WeakPolarHBondContact O-CA 3.38Å; S49-L52 WeakPolarHBondContact O-CB 3.38Å; S49-L52 PolarHBondContact O-N 3Å; S49-L53 PolarHBondContact O-N 3.13Å; S49-E2140 PolarHBondContact OG-OE2 3.5Å
50K61Low67.3Low121 Ų12151.2 Ų51.253%0.52626%0.258SS..Hα-helixtrans-52.3-38.2-176.9-170.7166-171.31600113.8L46 L52 S54L46-K50 HydrophobicContact CB-CB 4.41Å; L46-K50 HydrophobicContact CD2-CB 3.97Å; L46-K50 HydrophobicContact CD2-CD 3.94Å; L46-K50 HydrophobicContact CD2-CG 3.86Å; L46-K50 HydrophobicContact CG-CB 3.7Å; L46-K50 HydrophobicContact CG-CG 4.16Å; L46-K50 WeakPolarHBondContact O-CB 3.49Å; L46-K50 PolarHBondContact O-N 3.21Å; K50-L52 VanDerWaalsContact C-N 3.25Å; K50-L52 PolarHBondContact O-N 3.43Å; K50-S54 PolarHBondContact O-N 2.86Å; K50-S54 PolarHBondContact O-OG 2.81Å
51N60.5Low67.2Low125 Ų12556 Ų5667%0.66828%0.278SS*.Hα-helixtrans-73.8-12.4179.3-73.2-48.7000113.7S49 K55S49-N51 PolarHBondContact O-N 3.48Å; N51-K55 WeakPolarHBondContact O-CE 3.44Å; N51-K55 WeakPolarHBondContact O-CG 3.48Å; N51-K55 PolarHBondContact O-NZ 2.77Å
52L65.4Low67.2Low40 Ų4058.5 Ų58.521%0.20929%0.29CS..Hα-helixtrans-91.6-53.1169.5-60.8177.7000109.2F20 S49 K50 S54 K55 E56 F165F20-L52 HydrophobicContact CD2-CD1 3.91Å; F20-L52 HydrophobicContact CE2-CD1 4.05Å; S49-L52 WeakPolarHBondContact O-CA 3.38Å; S49-L52 WeakPolarHBondContact O-CB 3.38Å; S49-L52 PolarHBondContact O-N 3Å; K50-L52 VanDerWaalsContact C-N 3.25Å; K50-L52 PolarHBondContact O-N 3.43Å; L52-S54 PolarHBondContact O-N 2.97Å; L52-K55 WeakPolarHBondContact O-CA 3.44Å; L52-K55 WeakPolarHBondContact O-CB 3.36Å; L52-K55 PolarHBondContact O-N 2.97Å; L52-E56 PolarHBondContact O-N 3.43Å; L52-F165 HydrophobicContact CD1-CE1 4.44Å
53L65.7Low67.6Low7 Ų758.8 Ų58.84%0.03729%0.291CS..Hα-helixtrans-51.9-52.4179.6175.562.7000113.6I41 L46 S49 K55 E56 I57 V84 F2124I41-L53 HydrophobicContact CB-CB 4.35Å; I41-L53 HydrophobicContact CB-CD1 3.76Å; I41-L53 HydrophobicContact CB-CD2 4.06Å; I41-L53 HydrophobicContact CB-CG 4.25Å; I41-L53 HydrophobicContact CD1-CD1 3.65Å; I41-L53 HydrophobicContact CG1-CD1 3.82Å; I41-L53 HydrophobicContact CG2-CB 4.12Å; I41-L53 HydrophobicContact CG2-CD1 4.45Å; I41-L53 HydrophobicContact CG2-CD2 4.39Å; L46-L53 HydrophobicContact CD1-CD2 3.81Å; S49-L53 PolarHBondContact O-N 3.13Å; L53-K55 PolarHBondContact O-N 2.86Å; L53-K55 VanDerWaalsContact O-N 3.08Å; L53-E56 PolarHBondContact O-N 3.42Å; L53-I57 HydrophobicContact CD1-CD1 3.65Å; L53-I57 HydrophobicContact CD1-CG1 3.76Å; L53-I57 HydrophobicContact CD2-CD1 4.08Å; L53-I57 HydrophobicContact CG-CD1 3.62Å; L53-I57 HydrophobicContact CG-CG1 4.21Å; L53-I57 PolarHBondContact O-N 3.17Å; L53-V84 HydrophobicContact CD2-CB 4.31Å; L53-F2124 HydrophobicContact CD2-CE1 4.39Å; L53-F2124 HydrophobicContact CD2-CE2 4.2Å; L53-F2124 HydrophobicContact CD2-CZ 3.44Å; L53-F2124 VanDerWaalsContact CD2-CZ 3.44Å
54S68.4Low68.1Low71 Ų7156.3 Ų56.350%0.49728%0.282SS..Hα-helixtrans-67.4-11.4-177.2-580000113K50 L52K50-S54 PolarHBondContact O-N 2.86Å; K50-S54 PolarHBondContact O-OG 2.81Å; L52-S54 PolarHBondContact O-N 2.97Å
55K70.3Confident68.9Low91 Ų9157.2 Ų57.240%0.39629%0.291SS..Hα-helixtrans-86.6-46.3165.9-60.5-174.9-171.9108.60111.2N51 L52 L53 I57 K58 I59N51-K55 WeakPolarHBondContact O-CE 3.44Å; N51-K55 WeakPolarHBondContact O-CG 3.48Å; N51-K55 PolarHBondContact O-NZ 2.77Å; L52-K55 WeakPolarHBondContact O-CA 3.44Å; L52-K55 WeakPolarHBondContact O-CB 3.36Å; L52-K55 PolarHBondContact O-N 2.97Å; L53-K55 PolarHBondContact O-N 2.86Å; L53-K55 VanDerWaalsContact O-N 3.08Å; K55-I57 PolarHBondContact O-N 3.22Å; K55-K58 PolarHBondContact O-N 3.18Å; K55-K58 VanDerWaalsContact O-N 3.12Å; K55-I59 HydrophobicContact CB-CD1 4.43Å; K55-I59 WeakPolarHBondContact O-CB 3.35Å; K55-I59 WeakPolarHBondContact O-CG1 3.48Å; K55-I59 PolarHBondContact O-N 2.79Å
56E76.1Confident70.2Confident4 Ų457.8 Ų57.82%0.01929%0.294CS..Hα-helixtrans-57.3-49.6178.2176.1155.3-133.300111.8K39 L52 L53 K58 I59 L60 L86 F163 G164K39-E56 WeakPolarHBondContact CE-OE2 3.45Å; K39-E56 IonicContact NZ-OE1 3.36Å; K39-E56 PolarHBondContact NZ-OE1 3.39Å; K39-E56 IonicContact NZ-OE2 3.25Å; K39-E56 PolarHBondContact NZ-OE2 3.38Å; L52-E56 PolarHBondContact O-N 3.43Å; L53-E56 PolarHBondContact O-N 3.42Å; E56-K58 PolarHBondContact O-N 3.29Å; E56-I59 PolarHBondContact O-N 3.3Å; E56-L60 HydrophobicContact CG-CD1 3.53Å; E56-L60 HydrophobicContact CG-CG 4.02Å; E56-L60 VanDerWaalsContact O-CB 3.32Å; E56-L60 WeakPolarHBondContact O-CB 3.26Å; E56-L60 WeakPolarHBondContact O-CG 3.42Å; E56-L60 PolarHBondContact O-N 2.79Å; E56-L86 HydrophobicContact CG-CD1 3.91Å; E56-F163 HydrophobicContact CG-CB 4.41Å; E56-F163 VanDerWaalsContact OE1-C 3.32Å; E56-F163 WeakPolarHBondContact OE1-CA 3.33Å; E56-F163 PolarHBondContact OE1-N 2.89Å; E56-G164 VanDerWaalsContact CD-N 3.33Å; E56-G164 PolarHBondContact OE1-N 3.39Å; E56-G164 VanDerWaalsContact OE1-N 3.07Å
57I77.7Confident70.9Confident29 Ų2965 Ų6515%0.14933%0.327CS..Hα-helixtrans-53.5-44.1174.8-67.8162.5000111.2L53 K55 K61 V84 L86L53-I57 HydrophobicContact CD1-CD1 3.65Å; L53-I57 HydrophobicContact CD1-CG1 3.76Å; L53-I57 HydrophobicContact CD2-CD1 4.08Å; L53-I57 HydrophobicContact CG-CD1 3.62Å; L53-I57 HydrophobicContact CG-CG1 4.21Å; L53-I57 PolarHBondContact O-N 3.17Å; K55-I57 PolarHBondContact O-N 3.22Å; I57-K61 HydrophobicContact CG2-CD 4.16Å; I57-K61 WeakPolarHBondContact O-CB 3.41Å; I57-K61 VanDerWaalsContact O-CG 3.27Å; I57-K61 WeakPolarHBondContact O-CG 3.41Å; I57-K61 PolarHBondContact O-N 2.78Å; I57-K61 VanDerWaalsContact O-N 3.12Å; I57-V84 HydrophobicContact CD1-CG1 3.67Å; I57-L86 HydrophobicContact CG1-CD2 3.55Å
58K81.9Confident72.7Confident112 Ų11262.3 Ų62.349%0.48730%0.303SS..Hα-helixtrans-68.5-44.7-178.7-173.9177.5176.9-178.50111.2K55 E56 E62 F168K55-K58 PolarHBondContact O-N 3.18Å; K55-K58 VanDerWaalsContact O-N 3.12Å; E56-K58 PolarHBondContact O-N 3.29Å; K58-E62 WeakPolarHBondContact CE-OE1 3.28Å; K58-E62 WeakPolarHBondContact O-CG 3.27Å; K58-E62 PolarHBondContact O-N 2.82Å; K58-E62 VanDerWaalsContact O-N 3.12Å; K58-F168 HydrophobicContact CB-CE2 4.43Å; K58-F168 HydrophobicContact CD-CE2 3.81Å; K58-F168 HydrophobicContact CD-CZ 4.35Å; K58-F168 HydrophobicContact CG-CE2 3.89Å; K58-F168 HydrophobicContact CG-CZ 4.21Å
59I82.3Confident74.6Confident0 Ų059.9 Ų59.90%029%0.294CS..Hα-helixtrans-66.5-47-178.5-74.4169.6000110.6K55 E56 K61 E62 L63 I130 F163 A166 F168K55-I59 HydrophobicContact CB-CD1 4.43Å; K55-I59 WeakPolarHBondContact O-CB 3.35Å; K55-I59 WeakPolarHBondContact O-CG1 3.48Å; K55-I59 PolarHBondContact O-N 2.79Å; E56-I59 PolarHBondContact O-N 3.3Å; I59-K61 PolarHBondContact O-N 3.35Å; I59-E62 PolarHBondContact O-N 3.31Å; I59-L63 HydrophobicContact CG2-CD1 3.81Å; I59-L63 HydrophobicContact CG2-CG 4.42Å; I59-L63 WeakPolarHBondContact O-CB 3.39Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.49Å; I59-L63 PolarHBondContact O-N 3.37Å; I59-I130 HydrophobicContact CG2-CD1 4.22Å; I59-I130 HydrophobicContact CG2-CG2 4.02Å; I59-F163 HydrophobicContact CG2-CB 3.85Å; I59-F163 HydrophobicContact CG2-CD1 3.69Å; I59-F163 HydrophobicContact CG2-CG 3.98Å; I59-A166 VanDerWaalsContact CD1-C 3.43Å; I59-A166 HydrophobicContact CD1-CB 3.65Å; I59-A166 HydrophobicContact CG2-CB 4.07Å; I59-F168 HydrophobicContact CD1-CD2 4.43Å; I59-F168 HydrophobicContact CD1-CE2 4.31Å; I59-F168 HydrophobicContact CG1-CD2 4.04Å; I59-F168 HydrophobicContact CG1-CE2 3.46Å; I59-F168 VanDerWaalsContact CG1-CE2 3.46Å; I59-F168 HydrophobicContact CG1-CZ 3.82Å
60L80.2Confident76.4Confident3 Ų360.4 Ų60.42%0.01630%0.296CS..Hα-helixtrans-62.2-41177.4-77.5176000112.2E56 L63 S64 L74 L86 M88 F163E56-L60 HydrophobicContact CG-CD1 3.53Å; E56-L60 HydrophobicContact CG-CG 4.02Å; E56-L60 VanDerWaalsContact O-CB 3.32Å; E56-L60 WeakPolarHBondContact O-CB 3.26Å; E56-L60 WeakPolarHBondContact O-CG 3.42Å; E56-L60 PolarHBondContact O-N 2.79Å; L60-L63 PolarHBondContact O-N 3.5Å; L60-S64 VanDerWaalsContact O-CB 3.31Å; L60-S64 WeakPolarHBondContact O-CB 3.46Å; L60-S64 PolarHBondContact O-N 2.86Å; L60-S64 PolarHBondContact O-OG 2.76Å; L60-L74 HydrophobicContact CB-CB 3.81Å; L60-L74 HydrophobicContact CB-CD1 4.47Å; L60-L74 HydrophobicContact CB-CD2 3.85Å; L60-L74 HydrophobicContact CB-CG 4.27Å; L60-L74 HydrophobicContact CD1-CD1 4.26Å; L60-L86 HydrophobicContact CD1-CB 4.44Å; L60-L86 HydrophobicContact CD1-CD1 3.88Å; L60-L86 HydrophobicContact CD1-CD2 4.5Å; L60-M88 HydrophobicContact CD1-SD 4.26Å; L60-F163 HydrophobicContact CD2-CB 4.29Å; L60-F163 HydrophobicContact CD2-CD2 3.56Å; L60-F163 HydrophobicContact CD2-CE2 4.27Å; L60-F163 HydrophobicContact CD2-CG 4.17Å; L60-F163 HydrophobicContact CG-CB 4.32Å; L60-F163 HydrophobicContact CG-CD2 4.47Å
61K81.4Confident77.7Confident99 Ų9954.8 Ų54.843%0.4327%0.272SS..Hα-helixtrans-59.1-52.1173.3-75.3178.8179.3-174.60111.3I57 I59 L63 S64 D65 L74I57-K61 HydrophobicContact CG2-CD 4.16Å; I57-K61 WeakPolarHBondContact O-CB 3.41Å; I57-K61 VanDerWaalsContact O-CG 3.27Å; I57-K61 WeakPolarHBondContact O-CG 3.41Å; I57-K61 PolarHBondContact O-N 2.78Å; I57-K61 VanDerWaalsContact O-N 3.12Å; I59-K61 PolarHBondContact O-N 3.35Å; K61-L63 VanDerWaalsContact C-N 3.27Å; K61-L63 PolarHBondContact O-N 2.65Å; K61-S64 WeakPolarHBondContact O-CB 3.18Å; K61-S64 PolarHBondContact O-N 2.99Å; K61-D65 VanDerWaalsContact O-CG 3.28Å; K61-D65 PolarHBondContact O-N 2.59Å; K61-L74 HydrophobicContact CB-CD2 4.45Å; K61-L74 HydrophobicContact CG-CD2 3.51Å
62E80.5Confident79.1Confident57 Ų5749.1 Ų49.127%0.26624%0.242SC..Hα-helixtrans-63.1-29-179.7-67.1-111.3-158.400113.7K58 I59 R128 F168K58-E62 WeakPolarHBondContact CE-OE1 3.28Å; K58-E62 WeakPolarHBondContact O-CG 3.27Å; K58-E62 PolarHBondContact O-N 2.82Å; K58-E62 VanDerWaalsContact O-N 3.12Å; I59-E62 PolarHBondContact O-N 3.31Å; E62-R128 PolarHBondContact O-NE 3.15Å; E62-R128 PolarHBondContact O-NH1 2.95Å; E62-R128 VanDerWaalsContact O-NH1 3.12Å; E62-R128 PolarHBondContact O-NH2 3.03Å; E62-R128 IonicContact OE2-CZ 3.26Å; E62-R128 IonicContact OE2-NH1 2.63Å; E62-R128 PolarHBondContact OE2-NH1 3.32Å; E62-F168 HydrophobicContact CB-CZ 4.39Å; E62-F168 HydrophobicContact CG-CZ 4.09Å
63L81.4Confident80.1Confident5 Ų548.2 Ų48.23%0.02624%0.24CC..Hα-helixtrans-81.6-29.7172.9-68.1176.3000112.7I59 L60 K61 D65 L66 L71 I125 I130 F163I59-L63 HydrophobicContact CG2-CD1 3.81Å; I59-L63 HydrophobicContact CG2-CG 4.42Å; I59-L63 WeakPolarHBondContact O-CB 3.39Å; I59-L63 VanDerWaalsContact O-CG 3.31Å; I59-L63 WeakPolarHBondContact O-CG 3.49Å; I59-L63 PolarHBondContact O-N 3.37Å; L60-L63 PolarHBondContact O-N 3.5Å; K61-L63 VanDerWaalsContact C-N 3.27Å; K61-L63 PolarHBondContact O-N 2.65Å; L63-D65 VanDerWaalsContact C-N 3.35Å; L63-L66 HydrophobicContact CD2-CD1 4.09Å; L63-L66 WeakPolarHBondContact O-CB 3.21Å; L63-L66 PolarHBondContact O-N 3.09Å; L63-L66 VanDerWaalsContact O-N 3.12Å; L63-L71 HydrophobicContact CB-CD1 4.25Å; L63-L71 HydrophobicContact CD2-CD1 3.97Å; L63-L71 HydrophobicContact CG-CD1 4.49Å; L63-I125 HydrophobicContact CD1-CG1 4.35Å; L63-I125 HydrophobicContact CD2-CG1 4.14Å; L63-I130 HydrophobicContact CD1-CD1 4.39Å; L63-I130 HydrophobicContact CD2-CD1 3.77Å; L63-I130 HydrophobicContact CG-CD1 3.92Å; L63-F163 HydrophobicContact CD1-CD1 3.67Å; L63-F163 HydrophobicContact CD1-CD2 4.45Å; L63-F163 HydrophobicContact CD1-CE1 3.3Å; L63-F163 HydrophobicContact CD1-CE2 4.15Å; L63-F163 HydrophobicContact CD1-CG 4.24Å; L63-F163 HydrophobicContact CD1-CZ 3.58Å
64S78.8Confident81.1Confident15 Ų1548.5 Ų48.511%0.10524%0.242CC..Hα-helixtrans-70.3-35.3175.6-560000111.3L60 K61 L66 H67 L74L60-S64 VanDerWaalsContact O-CB 3.31Å; L60-S64 WeakPolarHBondContact O-CB 3.46Å; L60-S64 PolarHBondContact O-N 2.86Å; L60-S64 PolarHBondContact O-OG 2.76Å; K61-S64 WeakPolarHBondContact O-CB 3.18Å; K61-S64 PolarHBondContact O-N 2.99Å; S64-L66 PolarHBondContact O-N 3.25Å; S64-H67 PolarHBondContact O-N 2.88Å; S64-H67 PolarHBondContact O-ND1 2.88Å; S64-L74 WeakPolarHBondContact OG-CA 3.18Å; S64-L74 WeakPolarHBondContact OG-CB 3.02Å; S64-L74 PolarHBondContact OG-N 2.77Å; S64-L74 PolarHBondContact OG-O 3.27Å
65D77.2Confident81.9Confident105 Ų10548.6 Ų48.656%0.56124%0.236SC*.THydrogen-bonded Turntrans-58.7-9169.4-63.1-27.4000113.6K61 L63K61-D65 VanDerWaalsContact O-CG 3.28Å; K61-D65 PolarHBondContact O-N 2.59Å; L63-D65 VanDerWaalsContact C-N 3.35Å
66L78.2Confident82.6Confident62 Ų6248.1 Ų48.133%0.32524%0.235SC..THydrogen-bonded Turntrans-92.2-18171.3-63.4174.5000114.3L63 S64 H68 A124 R128L63-L66 HydrophobicContact CD2-CD1 4.09Å; L63-L66 WeakPolarHBondContact O-CB 3.21Å; L63-L66 PolarHBondContact O-N 3.09Å; L63-L66 VanDerWaalsContact O-N 3.12Å; S64-L66 PolarHBondContact O-N 3.25Å; L66-H68 HydrophobicContact CB-CB 4.34Å; L66-H68 PolarHBondContact O-N 3.25Å; L66-H68 VanDerWaalsContact O-N 3.15Å; L66-A124 HydrophobicContact CD1-CB 4.15Å; L66-R128 HydrophobicContact CD1-CG 3.93Å
67H74.2Confident83Confident169 Ų16949.5 Ų49.578%0.78225%0.245SC*.THydrogen-bonded Turntrans49.438-176.5-64.132.6000113.2S64S64-H67 PolarHBondContact O-N 2.88Å; S64-H67 PolarHBondContact O-ND1 2.88Å
68H86Confident83.1Confident50 Ų5048.7 Ų48.723%0.23124%0.241CC..  trans-82.8128.1-168.6-174.7-83.8000113L66 N70 L71 A120 A121L66-H68 HydrophobicContact CB-CB 4.34Å; L66-H68 PolarHBondContact O-N 3.25Å; L66-H68 VanDerWaalsContact O-N 3.15Å; H68-N70 VanDerWaalsContact C-N 3.29Å; H68-N70 PolarHBondContact ND1-N 3.36Å; H68-N70 VanDerWaalsContact ND1-N 3.16Å; H68-N70 PolarHBondContact O-N 2.74Å; H68-N70 VanDerWaalsContact O-N 3.12Å; H68-L71 HydrophobicContact CB-CB 4.35Å; H68-L71 HydrophobicContact CB-CD1 3.95Å; H68-L71 HydrophobicContact CB-CG 4.06Å; H68-L71 PolarHBondContact O-N 2.99Å; H68-A120 PolarHBondContact NE2-O 2.73Å; H68-A121 PolarHBondContact CE1-N 2.81Å
69E86.1Confident83Confident93 Ų9349.4 Ų49.444%0.43525%0.246SC..THydrogen-bonded Turntrans-52.4-41.8-172.7-159.1-159.8130.800113.9R157 K159E69-R157 VanDerWaalsContact CD-NH1 3.28Å; E69-R157 VanDerWaalsContact OE1-CD 3.29Å; E69-R157 WeakPolarHBondContact OE1-CD 3.43Å; E69-R157 IonicContact OE1-CZ 3.05Å; E69-R157 IonicContact OE1-NE 3.64Å; E69-R157 IonicContact OE1-NH1 2.67Å; E69-R157 PolarHBondContact OE1-NH1 2.79Å; E69-R157 IonicContact OE2-NH1 3.33Å; E69-R157 PolarHBondContact OE2-NH1 2.85Å; E69-R157 VanDerWaalsContact OE2-NH1 3.13Å; E69-K159 WeakPolarHBondContact O-CG 3.18Å; E69-K159 PolarHBondContact O-NZ 2.81Å
70N90.7Very high82.5Confident10 Ų1050.1 Ų50.15%0.05325%0.251CS..THydrogen-bonded Turntrans-96.720.8-177.3-50.4115.9000115H68 Q117 A121 L158 K159 I160H68-N70 VanDerWaalsContact C-N 3.29Å; H68-N70 PolarHBondContact ND1-N 3.36Å; H68-N70 VanDerWaalsContact ND1-N 3.16Å; H68-N70 PolarHBondContact O-N 2.74Å; H68-N70 VanDerWaalsContact O-N 3.12Å; N70-Q117 HydrophobicContact CB-CB 4.49Å; N70-Q117 WeakPolarHBondContact CB-O 3.47Å; N70-Q117 PolarHBondContact ND2-OE1 2.89Å; N70-A121 HydrophobicContact CB-CB 3.92Å; N70-A121 WeakPolarHBondContact O-CB 3.46Å; N70-L158 VanDerWaalsContact CA-O 3.27Å; N70-L158 WeakPolarHBondContact CA-O 3.42Å; N70-L158 WeakPolarHBondContact CB-O 3.38Å; N70-L158 PolarHBondContact ND2-O 3.1Å; N70-K159 WeakPolarHBondContact O-CA 2.99Å; N70-I160 PolarHBondContact O-N 2.87Å
71L89Confident82Confident4 Ų455.4 Ų55.42%0.02129%0.288CS..BIsolated β-bridgetrans-116.4143.3168.4-62.3-178.6000109.4L63 H68 A73 A121 A124 I125 I160 F163L63-L71 HydrophobicContact CB-CD1 4.25Å; L63-L71 HydrophobicContact CD2-CD1 3.97Å; L63-L71 HydrophobicContact CG-CD1 4.49Å; H68-L71 HydrophobicContact CB-CB 4.35Å; H68-L71 HydrophobicContact CB-CD1 3.95Å; H68-L71 HydrophobicContact CB-CG 4.06Å; H68-L71 PolarHBondContact O-N 2.99Å; L71-A73 PolarHBondContact O-N 2.9Å; L71-A121 HydrophobicContact CD2-CB 3.73Å; L71-A121 HydrophobicContact CG-CB 4.45Å; L71-A124 HydrophobicContact CD1-CB 4.18Å; L71-I125 HydrophobicContact CD1-CG1 4.23Å; L71-I125 HydrophobicContact CD2-CD1 3.63Å; L71-I125 HydrophobicContact CD2-CG1 3.79Å; L71-I160 HydrophobicContact CD2-CB 4.21Å; L71-F163 HydrophobicContact CD2-CZ 4.31Å
72V89.6Confident81.2Confident5 Ų550.9 Ų50.93%0.0327%0.269CS..  trans-71108.9168.3173.30000108.4M88 L141 K159 I160 A161V72-M88 HydrophobicContact CG1-CB 3.69Å; V72-M88 HydrophobicContact CG1-CG 4.39Å; V72-M88 HydrophobicContact CG1-SD 4.2Å; V72-L141 HydrophobicContact CG2-CD1 4.14Å; V72-K159 HydrophobicContact CG2-CB 3.64Å; V72-K159 HydrophobicContact CG2-CD 4.47Å; V72-I160 PolarHBondContact N-O 2.83Å; V72-I160 VanDerWaalsContact N-O 3.11Å; V72-A161 HydrophobicContact CB-CB 4.47Å; V72-A161 HydrophobicContact CG2-CB 3.82Å
73A86Confident81.1Confident22 Ų2248.2 Ų48.218%0.18226%0.256CS..  trans-70143.717600000111.2L71 L75 M88 E89L71-A73 PolarHBondContact O-N 2.9Å; A73-L75 HydrophobicContact CB-CD2 4.49Å; A73-M88 CarbonylContact O-C 3.52Å; A73-M88 VanDerWaalsContact O-C 3.28Å; A73-M88 WeakPolarHBondContact O-CA 3.44Å; A73-M88 VanDerWaalsContact O-CB 3.24Å; A73-M88 WeakPolarHBondContact O-CB 3.32Å; A73-E89 HydrophobicContact CB-CB 4.48Å; A73-E89 PolarHBondContact O-N 2.95Å
74L86.4Confident81.1Confident12 Ų1248.1 Ų48.16%0.06326%0.256CS..EExtended strand (participates in β ladder)trans-94.6103.1166.3169.494.5000108.7L60 K61 S64 Q76 C77 L86 I87 M88L60-L74 HydrophobicContact CB-CB 3.81Å; L60-L74 HydrophobicContact CB-CD1 4.47Å; L60-L74 HydrophobicContact CB-CD2 3.85Å; L60-L74 HydrophobicContact CB-CG 4.27Å; L60-L74 HydrophobicContact CD1-CD1 4.26Å; K61-L74 HydrophobicContact CB-CD2 4.45Å; K61-L74 HydrophobicContact CG-CD2 3.51Å; S64-L74 WeakPolarHBondContact OG-CA 3.18Å; S64-L74 WeakPolarHBondContact OG-CB 3.02Å; S64-L74 PolarHBondContact OG-N 2.77Å; S64-L74 PolarHBondContact OG-O 3.27Å; L74-Q76 WeakPolarHBondContact CD1-O 3.45Å; L74-C77 HydrophobicContact CD2-CB 4.5Å; L74-L86 HydrophobicContact CD1-CB 3.51Å; L74-L86 HydrophobicContact CD1-CD2 3.91Å; L74-L86 HydrophobicContact CD1-CG 4.31Å; L74-I87 CarbonylContact C-O 3.58Å; L74-I87 VanDerWaalsContact C-O 3.3Å; L74-I87 VanDerWaalsContact CA-O 3.27Å; L74-I87 WeakPolarHBondContact CA-O 3.25Å; L74-I87 WeakPolarHBondContact CD1-O 3.3Å; L74-M88 HydrophobicContact CD1-CG 4.26Å
75L85Confident81.5Confident74 Ų7447.4 Ų47.439%0.38725%0.251SS..EExtended strand (participates in β ladder)trans-68.1-39.9179.3-52.3179.9000112.5Y7 V36 A73 I87 M88Y7-L75 HydrophobicContact CE1-CD1 4.48Å; V36-L75 HydrophobicContact CB-CD1 3.99Å; V36-L75 HydrophobicContact CG1-CD1 3.42Å; V36-L75 VanDerWaalsContact CG1-CD1 3.42Å; A73-L75 HydrophobicContact CB-CD2 4.49Å; L75-I87 HydrophobicContact CB-CB 4.46Å; L75-I87 HydrophobicContact CB-CG2 4.27Å; L75-I87 HydrophobicContact CD1-CG2 4.44Å; L75-I87 PolarHBondContact N-O 2.82Å; L75-M88 WeakPolarHBondContact CD1-O 3.45Å
76Q84.9Confident82.1Confident80 Ų8042.4 Ų42.437%0.37422%0.224SC..EExtended strand (participates in β ladder)trans-156.8153.5179.2-167.2166.4-28.300112Y7 L74 I78 I87Y7-Q76 HydrophobicContact CE2-CB 3.88Å; Y7-Q76 HydrophobicContact CE2-CG 4.47Å; Y7-Q76 PolarHBondContact OH-OE1 2.96Å; L74-Q76 WeakPolarHBondContact CD1-O 3.45Å; Q76-I78 HydrophobicContact CG-CD1 4.16Å; Q76-I78 HydrophobicContact CG-CG1 3.77Å; Q76-I87 HydrophobicContact CB-CB 4.12Å; Q76-I87 HydrophobicContact CB-CG1 3.92Å; Q76-I87 PolarHBondContact N-O 2.63Å; Q76-I87 WeakPolarHBondContact O-CB 3.19Å; Q76-I87 WeakPolarHBondContact O-CG1 3.48Å; Q76-I87 PolarHBondContact O-N 2.66Å
77C84.5Confident82.7Confident33 Ų3339.4 Ų39.422%0.22321%0.209CC..EExtended strand (participates in β ladder)trans-120120.3172-177.30000109.3L74 Y85L74-C77 HydrophobicContact CD2-CB 4.5Å; C77-Y85 CarbonylContact C-O 3.6Å; C77-Y85 WeakPolarHBondContact CA-O 3.4Å; C77-Y85 PolarHBondContact SG-O 3.32Å
78I80.8Confident83.5Confident12 Ų1232 Ų326%0.06217%0.174CC..EExtended strand (participates in β ladder)trans-123.1101-171.4-52.1-177.7000109.8V4 Y7 Q76 V84 Y85 I87 D2121V4-I78 HydrophobicContact CB-CD1 4.08Å; V4-I78 HydrophobicContact CG1-CB 4.21Å; V4-I78 HydrophobicContact CG1-CD1 3.73Å; V4-I78 HydrophobicContact CG1-CG1 4.44Å; V4-I78 HydrophobicContact CG1-CG2 4.37Å; V4-I78 WeakPolarHBondContact O-CD1 3.43Å; Y7-I78 HydrophobicContact CD2-CD1 4.26Å; Y7-I78 HydrophobicContact CE2-CD1 4.45Å; Q76-I78 HydrophobicContact CG-CD1 4.16Å; Q76-I78 HydrophobicContact CG-CG1 3.77Å; I78-V84 CarbonylContact O-C 3.6Å; I78-V84 WeakPolarHBondContact O-CA 3.06Å; I78-Y85 HydrophobicContact CB-CD2 4.21Å; I78-Y85 PolarHBondContact N-O 3.46Å; I78-Y85 VanDerWaalsContact N-O 3.1Å; I78-Y85 WeakPolarHBondContact O-CD2 3.37Å; I78-Y85 PolarHBondContact O-N 2.8Å; I78-I87 HydrophobicContact CD1-CD1 4.33Å; I78-I87 HydrophobicContact CD1-CG1 4.16Å; I78-I87 HydrophobicContact CG1-CG1 4.41Å; I78-D2121 HydrophobicContact CG2-CB 3.88Å; I78-D2121 WeakPolarHBondContact CG2-OD1 3.25Å
79E80Confident83.6Confident127 Ų12732.6 Ų32.659%0.59318%0.177SC*.EExtended strand (participates in β ladder)trans-89.3132.5174177.4146.3-155.300111.4K43 H83 V84K43-E79 VanDerWaalsContact CE-OE1 3.25Å; K43-E79 WeakPolarHBondContact CE-OE1 3.44Å; K43-E79 IonicContact NZ-OE1 3.19Å; K43-E79 PolarHBondContact NZ-OE1 3.26Å; E79-H83 CarbonylContact C-O 3.55Å; E79-H83 WeakPolarHBondContact CA-O 3.35Å; E79-V84 HydrophobicContact CB-CB 4.44Å; E79-V84 HydrophobicContact CB-CG1 4.21Å; E79-V84 HydrophobicContact CB-CG2 3.72Å; E79-V84 VanDerWaalsContact CD-CG2 3.42Å; E79-V84 HydrophobicContact CG-CG2 3.57Å
80T71.9Confident83.7Confident16 Ų1629.9 Ų29.910%0.09816%0.163CC..  trans-120.4173.6-177112.60000109.3K43 S82 H83 Y85 D2121 P2122K43-T80 PolarHBondContact NZ-O 2.96Å; T80-S82 CarbonylContact O-C 3.57Å; T80-S82 PolarHBondContact O-N 3.5Å; T80-S82 WeakPolarHBondContact OG1-CA 3.16Å; T80-S82 PolarHBondContact OG1-N 3.44Å; T80-S82 PolarHBondContact OG1-OG 2.99Å; T80-H83 VanDerWaalsContact CG2-O 3.3Å; T80-H83 WeakPolarHBondContact CG2-O 3.12Å; T80-H83 PolarHBondContact N-O 3.46Å; T80-H83 PolarHBondContact OG1-N 3.13Å; T80-Y85 HydrophobicContact CG2-CD2 4.32Å; T80-Y85 HydrophobicContact CG2-CE2 4.09Å; T80-D2121 HydrophobicContact CG2-CB 3.16Å; T80-P2122 WeakPolarHBondContact CG2-O 3.28Å; T80-P2122 PolarHBondContact OG1-O 3.01Å
81S70.2Confident83.7Confident114 Ų11429.4 Ų29.480%0.79716%0.161SC*.SBendtrans-47.5-34.6168.361.70000110.6
82S63.3Low83.5Confident4 Ų431.7 Ų31.73%0.02817%0.173CC..SBendtrans-111.8-102.1172.749.20000109.5K43 T80 L2123 F2124K43-S82 PolarHBondContact NZ-O 3.39Å; T80-S82 CarbonylContact O-C 3.57Å; T80-S82 PolarHBondContact O-N 3.5Å; T80-S82 WeakPolarHBondContact OG1-CA 3.16Å; T80-S82 PolarHBondContact OG1-N 3.44Å; T80-S82 PolarHBondContact OG1-OG 2.99Å; S82-L2123 VanDerWaalsContact CB-C 3.41Å; S82-L2123 WeakPolarHBondContact OG-CA 3.45Å; S82-L2123 WeakPolarHBondContact OG-CB 3.48Å; S82-L2123 WeakPolarHBondContact OG-CD2 3.28Å; S82-F2124 WeakPolarHBondContact O-CB 3.43Å; S82-F2124 WeakPolarHBondContact O-CD1 3.23Å; S82-F2124 WeakPolarHBondContact O-CG 3.21Å
83H78.6Confident83.1Confident0 Ų033 Ų330%019%0.188CC..  trans-66.2172.4-153.4-78.2115.1000115.8S40 T42 E79 T80 Y85 P2122 L2123 F2124 G2142 Y2143S40-H83 PolarHBondContact O-CD2 3.16Å; T42-H83 WeakPolarHBondContact CB-NE2 3.25Å; T42-H83 PolarHBondContact OG1-CD2 3.45Å; T42-H83 PolarHBondContact OG1-NE2 2.7Å; E79-H83 CarbonylContact C-O 3.55Å; E79-H83 WeakPolarHBondContact CA-O 3.35Å; T80-H83 VanDerWaalsContact CG2-O 3.3Å; T80-H83 WeakPolarHBondContact CG2-O 3.12Å; T80-H83 PolarHBondContact N-O 3.46Å; T80-H83 PolarHBondContact OG1-N 3.13Å; H83-Y85 HydrophobicContact CB-CD2 4.08Å; H83-Y85 HydrophobicContact CB-CE1 4.45Å; H83-Y85 HydrophobicContact CB-CE2 3.17Å; H83-Y85 WeakPolarHBondContact CB-OH 3.47Å; H83-Y85 AromaticContact CG-CZ 3.86Å; H83-Y85 AromaticContact ND1-CZ 3.88Å; H83-Y85 PolarHBondContact ND1-OH 2.95Å; H83-P2122 WeakPolarHBondContact CB-O 3.38Å; H83-P2122 PolarHBondContact N-O 3.22Å; H83-L2123 PolarHBondContact CE1-O 2.79Å; H83-L2123 WeakPolarHBondContact ND1-CA 3.12Å; H83-L2123 PolarHBondContact ND1-N 3.29Å; H83-L2123 PolarHBondContact ND1-O 2.83Å; H83-F2124 HydrophobicContact CB-CB 4.08Å; H83-F2124 HydrophobicContact CB-CD2 3.53Å; H83-F2124 HydrophobicContact CB-CE2 4.45Å; H83-F2124 HydrophobicContact CB-CG 4.05Å; H83-F2124 VanDerWaalsContact CB-N 3.29Å; H83-F2124 WeakPolarHBondContact CD2-CA 3.2Å; H83-F2124 AromaticContact CD2-CD2 3.25Å; H83-F2124 WeakPolarHBondContact CD2-CD2 3.32Å; H83-F2124 AromaticContact CD2-CG 3.75Å; H83-F2124 PolarHBondContact CD2-N 3.1Å; H83-F2124 VanDerWaalsContact CD2-N 3.26Å; H83-F2124 AromaticContact CG-CD2 3.63Å; H83-F2124 PolarHBondContact ND1-N 2.81Å; H83-G2142 WeakPolarHBondContact CD2-CA 3.46Å; H83-G2142 VanDerWaalsContact ND1-C 3.27Å; H83-G2142 PolarHBondContact ND1-O 2.85Å; H83-G2142 WeakPolarHBondContact NE2-CA 3.47Å; H83-Y2143 WeakPolarHBondContact CE1-CA 3.49Å; H83-Y2143 WeakPolarHBondContact CE1-CB 3.42Å; H83-Y2143 AromaticContact CE1-CD1 2.4Å; H83-Y2143 WeakPolarHBondContact CE1-CD1 3.27Å; H83-Y2143 AromaticContact CE1-CD2 3.25Å; H83-Y2143 WeakPolarHBondContact CE1-CD2 3.35Å; H83-Y2143 AromaticContact CE1-CE1 2.69Å; H83-Y2143 WeakPolarHBondContact CE1-CE1 3.45Å; H83-Y2143 AromaticContact CE1-CE2 3.4Å; H83-Y2143 VanDerWaalsContact CE1-CE2 3.4Å; H83-Y2143 WeakPolarHBondContact CE1-CE2 3.48Å; H83-Y2143 AromaticContact CE1-CG 2.71Å; H83-Y2143 AromaticContact CE1-CZ 3.17Å; H83-Y2143 PolarHBondContact CE1-N 2.71Å; H83-Y2143 PolarHBondContact CE1-O 2.78Å; H83-Y2143 PolarHBondContact ND1-N 3.31Å; H83-Y2143 PolarHBondContact ND1-O 2.75Å; H83-Y2143 VanDerWaalsContact ND1-O 3.1Å; H83-Y2143 AromaticContact NE2-CD1 3.52Å; H83-Y2143 AromaticContact NE2-CE1 3.67Å
84V82.5Confident83.1Confident3 Ų333.6 Ų33.62%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-137.193.9168.3-175.60000105.2S40 L53 I57 I78 E79 F2124S40-V84 WeakPolarHBondContact CA-O 3.12Å; L53-V84 HydrophobicContact CD2-CB 4.31Å; I57-V84 HydrophobicContact CD1-CG1 3.67Å; I78-V84 CarbonylContact O-C 3.6Å; I78-V84 WeakPolarHBondContact O-CA 3.06Å; E79-V84 HydrophobicContact CB-CB 4.44Å; E79-V84 HydrophobicContact CB-CG1 4.21Å; E79-V84 HydrophobicContact CB-CG2 3.72Å; E79-V84 VanDerWaalsContact CD-CG2 3.42Å; E79-V84 HydrophobicContact CG-CG2 3.57Å; V84-F2124 VanDerWaalsContact CA-CE2 3.49Å; V84-F2124 HydrophobicContact CB-CD2 4.26Å; V84-F2124 HydrophobicContact CB-CE1 4.26Å; V84-F2124 HydrophobicContact CB-CE2 3.27Å; V84-F2124 HydrophobicContact CB-CZ 3.31Å; V84-F2124 HydrophobicContact CG2-CD1 4.32Å; V84-F2124 HydrophobicContact CG2-CD2 4.33Å; V84-F2124 HydrophobicContact CG2-CE1 3.55Å; V84-F2124 HydrophobicContact CG2-CE2 3.49Å; V84-F2124 VanDerWaalsContact CG2-CE2 3.49Å; V84-F2124 HydrophobicContact CG2-CZ 3.07Å
85Y86.5Confident83.2Confident0 Ų034.2 Ų34.20%020%0.199CC..EExtended strand (participates in β ladder)trans-71.2145.5-179.7-68.2-84.2000111.4V4 Y9 I38 K39 S40 C77 I78 T80 H83 I87 P2122 L2123 G2142V4-Y85 HydrophobicContact CG1-CD1 3.72Å; V4-Y85 HydrophobicContact CG1-CD2 3.27Å; V4-Y85 HydrophobicContact CG1-CE1 4.18Å; V4-Y85 HydrophobicContact CG1-CE2 3.86Å; V4-Y85 HydrophobicContact CG1-CG 3.26Å; Y9-Y85 HydrophobicContact CE1-CE1 4.2Å; I38-Y85 HydrophobicContact CG2-CD1 3.36Å; I38-Y85 HydrophobicContact CG2-CE1 3.85Å; I38-Y85 HydrophobicContact CG2-CG 4.46Å; K39-Y85 CarbonylContact O-C 2.73Å; S40-Y85 WeakPolarHBondContact OG-CD1 3.19Å; S40-Y85 WeakPolarHBondContact OG-CE1 3.43Å; C77-Y85 CarbonylContact C-O 3.6Å; C77-Y85 WeakPolarHBondContact CA-O 3.4Å; C77-Y85 PolarHBondContact SG-O 3.32Å; I78-Y85 HydrophobicContact CB-CD2 4.21Å; I78-Y85 PolarHBondContact N-O 3.46Å; I78-Y85 VanDerWaalsContact N-O 3.1Å; I78-Y85 WeakPolarHBondContact O-CD2 3.37Å; I78-Y85 PolarHBondContact O-N 2.8Å; T80-Y85 HydrophobicContact CG2-CD2 4.32Å; T80-Y85 HydrophobicContact CG2-CE2 4.09Å; H83-Y85 HydrophobicContact CB-CD2 4.08Å; H83-Y85 HydrophobicContact CB-CE1 4.45Å; H83-Y85 HydrophobicContact CB-CE2 3.17Å; H83-Y85 WeakPolarHBondContact CB-OH 3.47Å; H83-Y85 AromaticContact CG-CZ 3.86Å; H83-Y85 AromaticContact ND1-CZ 3.88Å; H83-Y85 PolarHBondContact ND1-OH 2.95Å; Y85-I87 HydrophobicContact CD1-CD1 4.49Å; Y85-I87 HydrophobicContact CG-CD1 4.4Å; Y85-P2122 HydrophobicContact CD2-CG 4.33Å; Y85-P2122 HydrophobicContact CE1-CB 4.35Å; Y85-P2122 HydrophobicContact CE1-CG 3.77Å; Y85-P2122 HydrophobicContact CE2-CB 3.91Å; Y85-P2122 HydrophobicContact CE2-CG 3.49Å; Y85-P2122 VanDerWaalsContact CE2-CG 3.49Å; Y85-P2122 WeakPolarHBondContact OH-CA 3.48Å; Y85-P2122 WeakPolarHBondContact OH-CB 3.34Å; Y85-P2122 VanDerWaalsContact OH-CG 3.26Å; Y85-P2122 WeakPolarHBondContact OH-CG 3.26Å; Y85-L2123 PolarHBondContact OH-N 2.97Å; Y85-G2142 WeakPolarHBondContact CE1-O 3.31Å; Y85-G2142 VanDerWaalsContact CZ-O 3.29Å; Y85-G2142 PolarHBondContact OH-O 2.69Å
86L88.8Confident83.6Confident0 Ų030.8 Ų30.80%018%0.181CC..EExtended strand (participates in β ladder)trans-115.891.2162.6-47.9177000103.3K39 I41 E56 I57 L60 L74 M88K39-L86 HydrophobicContact CB-CB 4.13Å; K39-L86 HydrophobicContact CD-CD1 3.92Å; K39-L86 HydrophobicContact CG-CD1 4.05Å; K39-L86 PolarHBondContact N-O 2.67Å; K39-L86 WeakPolarHBondContact O-CA 3.23Å; K39-L86 WeakPolarHBondContact O-CB 3.17Å; K39-L86 WeakPolarHBondContact O-CG 3.5Å; K39-L86 PolarHBondContact O-N 3.12Å; I41-L86 HydrophobicContact CD1-CD1 3.56Å; I41-L86 HydrophobicContact CD1-CG 4.15Å; E56-L86 HydrophobicContact CG-CD1 3.91Å; I57-L86 HydrophobicContact CG1-CD2 3.55Å; L60-L86 HydrophobicContact CD1-CB 4.44Å; L60-L86 HydrophobicContact CD1-CD1 3.88Å; L60-L86 HydrophobicContact CD1-CD2 4.5Å; L74-L86 HydrophobicContact CD1-CB 3.51Å; L74-L86 HydrophobicContact CD1-CD2 3.91Å; L74-L86 HydrophobicContact CD1-CG 4.31Å; L86-M88 HydrophobicContact CB-CG 4.23Å; L86-M88 HydrophobicContact CB-SD 4.32Å; L86-M88 WeakPolarHBondContact O-CG 3.5Å
87I90.7Very high83.8Confident0 Ų027.5 Ų27.50%017%0.168CC..EExtended strand (participates in β ladder)trans-77.4124169.8-42.8-67.9000105.9V4 Y7 V36 I38 L74 L75 Q76 I78 Y85V4-I87 HydrophobicContact CB-CD1 4Å; V4-I87 HydrophobicContact CG1-CD1 3.97Å; V4-I87 HydrophobicContact CG2-CD1 4.23Å; Y7-I87 HydrophobicContact CD1-CG2 3.63Å; Y7-I87 HydrophobicContact CD2-CB 4.31Å; Y7-I87 HydrophobicContact CD2-CD1 3.8Å; Y7-I87 HydrophobicContact CD2-CG1 3.72Å; Y7-I87 HydrophobicContact CD2-CG2 3.84Å; Y7-I87 HydrophobicContact CE1-CG2 3.54Å; Y7-I87 HydrophobicContact CE2-CB 4.14Å; Y7-I87 HydrophobicContact CE2-CD1 4.37Å; Y7-I87 HydrophobicContact CE2-CG1 3.78Å; Y7-I87 HydrophobicContact CE2-CG2 3.81Å; Y7-I87 HydrophobicContact CG-CD1 4.19Å; Y7-I87 HydrophobicContact CG-CG1 4.39Å; Y7-I87 HydrophobicContact CG-CG2 3.78Å; V36-I87 HydrophobicContact CB-CG2 4.12Å; V36-I87 HydrophobicContact CG2-CG2 4.01Å; I38-I87 HydrophobicContact CD1-CD1 3.64Å; I38-I87 HydrophobicContact CD1-CG2 4.4Å; I38-I87 HydrophobicContact CG1-CD1 3.97Å; I38-I87 HydrophobicContact CG1-CG2 4.25Å; I38-I87 HydrophobicContact CG2-CD1 3.97Å; L74-I87 CarbonylContact C-O 3.58Å; L74-I87 VanDerWaalsContact C-O 3.3Å; L74-I87 VanDerWaalsContact CA-O 3.27Å; L74-I87 WeakPolarHBondContact CA-O 3.25Å; L74-I87 WeakPolarHBondContact CD1-O 3.3Å; L75-I87 HydrophobicContact CB-CB 4.46Å; L75-I87 HydrophobicContact CB-CG2 4.27Å; L75-I87 HydrophobicContact CD1-CG2 4.44Å; L75-I87 PolarHBondContact N-O 2.82Å; Q76-I87 HydrophobicContact CB-CB 4.12Å; Q76-I87 HydrophobicContact CB-CG1 3.92Å; Q76-I87 PolarHBondContact N-O 2.63Å; Q76-I87 WeakPolarHBondContact O-CB 3.19Å; Q76-I87 WeakPolarHBondContact O-CG1 3.48Å; Q76-I87 PolarHBondContact O-N 2.66Å; I78-I87 HydrophobicContact CD1-CD1 4.33Å; I78-I87 HydrophobicContact CD1-CG1 4.16Å; I78-I87 HydrophobicContact CG1-CG1 4.41Å; Y85-I87 HydrophobicContact CD1-CD1 4.49Å; Y85-I87 HydrophobicContact CG-CD1 4.4Å
88M91.1Very high83.9Confident12 Ų1230.8 Ų30.86%0.05918%0.183CC..EExtended strand (participates in β ladder)trans-131.3-174.7-170.8-51.2179.1-56.900111.3V23 V36 A37 K39 L60 V72 A73 L74 L75 L86V23-M88 HydrophobicContact CG1-CE 3.53Å; V36-M88 CarbonylContact C-O 3.48Å; V36-M88 VanDerWaalsContact CA-O 3.3Å; V36-M88 WeakPolarHBondContact CA-O 3.4Å; V36-M88 VanDerWaalsContact CB-O 3.25Å; V36-M88 WeakPolarHBondContact CB-O 3.44Å; A37-M88 HydrophobicContact CB-CB 4.13Å; A37-M88 HydrophobicContact CB-CE 4.24Å; A37-M88 PolarHBondContact N-O 3.39Å; A37-M88 VanDerWaalsContact O-CA 3.28Å; A37-M88 WeakPolarHBondContact O-CA 3.3Å; A37-M88 WeakPolarHBondContact O-CB 3.41Å; A37-M88 PolarHBondContact O-N 2.71Å; K39-M88 HydrophobicContact CB-CE 3.6Å; K39-M88 HydrophobicContact CB-SD 4.31Å; K39-M88 HydrophobicContact CD-CE 3.96Å; K39-M88 HydrophobicContact CD-SD 4.15Å; K39-M88 HydrophobicContact CG-CE 4.42Å; L60-M88 HydrophobicContact CD1-SD 4.26Å; V72-M88 HydrophobicContact CG1-CB 3.69Å; V72-M88 HydrophobicContact CG1-CG 4.39Å; V72-M88 HydrophobicContact CG1-SD 4.2Å; A73-M88 CarbonylContact O-C 3.52Å; A73-M88 VanDerWaalsContact O-C 3.28Å; A73-M88 WeakPolarHBondContact O-CA 3.44Å; A73-M88 VanDerWaalsContact O-CB 3.24Å; A73-M88 WeakPolarHBondContact O-CB 3.32Å; L74-M88 HydrophobicContact CD1-CG 4.26Å; L75-M88 WeakPolarHBondContact CD1-O 3.45Å; L86-M88 HydrophobicContact CB-CG 4.23Å; L86-M88 HydrophobicContact CB-SD 4.32Å; L86-M88 WeakPolarHBondContact O-CG 3.5Å
89E89Confident84.2Confident64 Ų6431.7 Ų31.730%0.29919%0.186SC..EExtended strand (participates in β ladder)trans-87.6138.2177.8-169.9-179.4-174.200112.7A37 A73 K159A37-E89 VanDerWaalsContact CB-O 3.23Å; A37-E89 WeakPolarHBondContact CB-O 3.36Å; A73-E89 HydrophobicContact CB-CB 4.48Å; A73-E89 PolarHBondContact O-N 2.95Å; E89-K159 WeakPolarHBondContact OE1-CE 3.17Å; E89-K159 IonicContact OE1-NZ 2.79Å; E89-K159 PolarHBondContact OE1-NZ 2.97Å; E89-K159 VanDerWaalsContact OE2-CE 3.32Å; E89-K159 WeakPolarHBondContact OE2-CE 3.44Å; E89-K159 IonicContact OE2-NZ 3.67Å; E89-K159 PolarHBondContact OE2-NZ 3.4Å
90Y88.7Confident84.7Confident36 Ų3625.9 Ų25.914%0.14116%0.159CC..  trans-75.4145.4175.3-177.1-132.7000112.9I15 K25 T35 V36 N92 D2213I15-Y90 HydrophobicContact CD1-CD2 3.56Å; I15-Y90 HydrophobicContact CD1-CE2 3.89Å; I15-Y90 HydrophobicContact CG1-CD2 4.18Å; I15-Y90 HydrophobicContact CG1-CE2 4.02Å; K25-Y90 HydrophobicContact CB-CD2 3.84Å; K25-Y90 HydrophobicContact CB-CE2 3.86Å; K25-Y90 HydrophobicContact CD-CE1 4.28Å; K25-Y90 HydrophobicContact CG-CD1 3.87Å; K25-Y90 HydrophobicContact CG-CD2 3.36Å; K25-Y90 HydrophobicContact CG-CE1 3.76Å; K25-Y90 HydrophobicContact CG-CE2 3.34Å; K25-Y90 HydrophobicContact CG-CG 3.69Å; K25-Y90 VanDerWaalsContact NZ-CE1 3.34Å; T35-Y90 HydrophobicContact CG2-CD1 4.28Å; T35-Y90 WeakPolarHBondContact OG1-CD1 3.19Å; V36-Y90 WeakPolarHBondContact O-CB 3.14Å; Y90-N92 HydrophobicContact CD1-CB 3.98Å; Y90-N92 VanDerWaalsContact CE1-CA 3.48Å; Y90-N92 HydrophobicContact CE1-CB 3.37Å; Y90-N92 VanDerWaalsContact CZ-CA 3.47Å; Y90-D2213 PolarHBondContact OH-OD2 2.98Å
91C89.7Confident85.4Confident0 Ų032.9 Ų32.90%019%0.191CC..  trans-122.7100.9176.4-56.70000109.6G93 L141 L142C91-G93 VanDerWaalsContact C-N 3.29Å; C91-G93 PolarHBondContact O-N 3.32Å; C91-L141 HydrophobicContact CB-CB 3.5Å; C91-L141 HydrophobicContact CB-CD1 3.96Å; C91-L141 HydrophobicContact CB-CG 4.36Å; C91-L142 CarbonylContact C-O 3.51Å; C91-L142 WeakPolarHBondContact CA-O 3.47Å; C91-L142 VanDerWaalsContact CB-O 3.3Å; C91-L142 WeakPolarHBondContact CB-O 3.37Å
92N85.3Confident86Confident51 Ų5131.6 Ų31.627%0.27319%0.187SC..THydrogen-bonded Turntrans-82.413.3-168.568.3-37.5000116.3Y90 L142 C143 N144 N147Y90-N92 HydrophobicContact CD1-CB 3.98Å; Y90-N92 VanDerWaalsContact CE1-CA 3.48Å; Y90-N92 HydrophobicContact CE1-CB 3.37Å; Y90-N92 VanDerWaalsContact CZ-CA 3.47Å; N92-L142 PolarHBondContact N-O 3.23Å; N92-C143 VanDerWaalsContact OD1-CA 3.26Å; N92-C143 WeakPolarHBondContact OD1-CA 3.36Å; N92-N144 PolarHBondContact ND2-O 2.69Å; N92-N144 PolarHBondContact OD1-N 3.16Å; N92-N144 PolarHBondContact OD1-O 2.81Å; N92-N147 PolarHBondContact ND2-OD1 2.7Å
93G80.6Confident87.1Confident33 Ų3335.5 Ų35.534%0.3420%0.203SC..THydrogen-bonded Turntrans-115.58.317900000115C91 L142C91-G93 VanDerWaalsContact C-N 3.29Å; C91-G93 PolarHBondContact O-N 3.32Å; G93-L142 VanDerWaalsContact CA-O 3.31Å; G93-L142 WeakPolarHBondContact CA-O 3.35Å; G93-L142 PolarHBondContact N-O 3.23Å
94G85.8Confident87.4Confident34 Ų3437.5 Ų37.535%0.35122%0.224SC..  trans75.2-145.1-174.400000112.5L141 L142G94-L141 CarbonylContact O-C 3.44Å; G94-L141 WeakPolarHBondContact O-CA 3.4Å; G94-L142 PolarHBondContact O-N 3.37Å
95D90.2Very high87.7Confident26 Ų2640.9 Ų40.914%0.13925%0.245CC..BIsolated β-bridgetrans-119168.3175.782.728.5000113.3A97 D98 Y99 Q138 I140 L141D95-A97 VanDerWaalsContact C-N 3.29Å; D95-A97 PolarHBondContact O-N 2.56Å; D95-A97 VanDerWaalsContact OD1-CA 3.24Å; D95-A97 WeakPolarHBondContact OD1-CA 3.33Å; D95-A97 WeakPolarHBondContact OD1-CB 3.44Å; D95-A97 PolarHBondContact OD1-N 3.18Å; D95-D98 PolarHBondContact OD1-N 2.99Å; D95-Y99 WeakPolarHBondContact O-CB 3.38Å; D95-Y99 PolarHBondContact O-N 3.4Å; D95-Y99 VanDerWaalsContact O-N 3.11Å; D95-Q138 VanDerWaalsContact OD2-CA 3.3Å; D95-Q138 WeakPolarHBondContact OD2-CA 3.39Å; D95-I140 CarbonylContact C-O 3.5Å; D95-I140 WeakPolarHBondContact CA-O 3.46Å; D95-L141 HydrophobicContact CB-CD2 3.9Å
96L91.5Very high88Confident1 Ų141.4 Ų41.41%0.00525%0.247CC..Hα-helixtrans-72.3-18.8-179.2-177.758.6000113.3Y99 L100 L106 L114 P137 I140 I207L96-Y99 HydrophobicContact CD1-CD1 4.33Å; L96-L100 WeakPolarHBondContact O-CB 3.22Å; L96-L100 PolarHBondContact O-N 3.47Å; L96-L100 VanDerWaalsContact O-N 3.1Å; L96-L106 HydrophobicContact CD1-CD1 4.04Å; L96-L114 HydrophobicContact CD1-CD1 3.78Å; L96-P137 HydrophobicContact CB-CB 4.24Å; L96-P137 HydrophobicContact CG-CB 4.35Å; L96-P137 PolarHBondContact N-O 3.38Å; L96-I140 HydrophobicContact CB-CB 4.05Å; L96-I140 HydrophobicContact CB-CG2 4.04Å; L96-I140 HydrophobicContact CD2-CB 4.28Å; L96-I140 HydrophobicContact CD2-CD1 4.03Å; L96-I140 HydrophobicContact CD2-CG2 4.03Å; L96-I140 PolarHBondContact N-O 3.38Å; L96-I207 HydrophobicContact CD2-CG2 3.91Å
97A90.2Very high88.1Confident12 Ų1244.4 Ų44.410%0.09927%0.268CS..Hα-helixtrans-71.4-48.5173.700000111D95 L100 Q101 P137 Q138D95-A97 VanDerWaalsContact C-N 3.29Å; D95-A97 PolarHBondContact O-N 2.56Å; D95-A97 VanDerWaalsContact OD1-CA 3.24Å; D95-A97 WeakPolarHBondContact OD1-CA 3.33Å; D95-A97 WeakPolarHBondContact OD1-CB 3.44Å; D95-A97 PolarHBondContact OD1-N 3.18Å; A97-L100 PolarHBondContact O-N 3.28Å; A97-Q101 WeakPolarHBondContact O-CB 3.19Å; A97-Q101 PolarHBondContact O-N 3.02Å; A97-P137 HydrophobicContact CB-CB 3.81Å; A97-Q138 HydrophobicContact CB-CG 3.79Å; A97-Q138 VanDerWaalsContact CB-NE2 3.25Å
98D86.2Confident88.1Confident101 Ų10146.1 Ų46.154%0.5428%0.276SS..Hα-helixtrans-67.7-42178.9-79.7-10.9000111.2D95 L100 Q101 A102D95-D98 PolarHBondContact OD1-N 2.99Å; D98-L100 VanDerWaalsContact C-N 3.32Å; D98-L100 PolarHBondContact O-N 2.91Å; D98-Q101 PolarHBondContact O-N 3.4Å; D98-A102 WeakPolarHBondContact O-CB 3.32Å; D98-A102 PolarHBondContact O-N 3.03Å
99Y87.8Confident88Confident32 Ų3250.5 Ų50.513%0.12530%0.3CS..Hα-helixtrans-60.7-41.1174-174.5-110.1000112D95 L96 A102 K103 L106 T110 L142 I156D95-Y99 WeakPolarHBondContact O-CB 3.38Å; D95-Y99 PolarHBondContact O-N 3.4Å; D95-Y99 VanDerWaalsContact O-N 3.11Å; L96-Y99 HydrophobicContact CD1-CD1 4.33Å; Y99-A102 PolarHBondContact O-N 3.13Å; Y99-K103 HydrophobicContact CD2-CG 4.48Å; Y99-K103 HydrophobicContact CE1-CG 4.32Å; Y99-K103 HydrophobicContact CE2-CD 4.47Å; Y99-K103 VanDerWaalsContact CE2-CE 3.49Å; Y99-K103 HydrophobicContact CE2-CG 4.13Å; Y99-K103 VanDerWaalsContact O-CG 3.31Å; Y99-K103 WeakPolarHBondContact O-CG 3.23Å; Y99-K103 PolarHBondContact O-N 2.83Å; Y99-K103 VanDerWaalsContact O-N 3.07Å; Y99-L106 HydrophobicContact CD1-CD1 4.15Å; Y99-L106 HydrophobicContact CD1-CD2 3.87Å; Y99-L106 HydrophobicContact CE1-CD1 4.1Å; Y99-L106 HydrophobicContact CE1-CD2 3.47Å; Y99-L106 VanDerWaalsContact CE1-CD2 3.47Å; Y99-L106 HydrophobicContact CE1-CG 4.46Å; Y99-T110 HydrophobicContact CE1-CG2 4.35Å; Y99-L142 HydrophobicContact CD1-CD1 4.14Å; Y99-L142 HydrophobicContact CD2-CD1 4.31Å; Y99-L142 HydrophobicContact CG-CD1 3.76Å; Y99-I156 HydrophobicContact CE1-CD1 4.2Å; Y99-I156 HydrophobicContact CE2-CD1 3.91Å
100L90Very high88.1Confident5 Ų547.9 Ų47.93%0.02629%0.288CS..Hα-helixtrans-69.4-37.3174.6179.758.3000112.5L96 A97 D98 A102 K103 G104 L106 Q210L96-L100 WeakPolarHBondContact O-CB 3.22Å; L96-L100 PolarHBondContact O-N 3.47Å; L96-L100 VanDerWaalsContact O-N 3.1Å; A97-L100 PolarHBondContact O-N 3.28Å; D98-L100 VanDerWaalsContact C-N 3.32Å; D98-L100 PolarHBondContact O-N 2.91Å; L100-A102 VanDerWaalsContact C-N 3.31Å; L100-A102 PolarHBondContact O-N 3.36Å; L100-K103 PolarHBondContact O-N 3.48Å; L100-G104 VanDerWaalsContact O-CA 3.32Å; L100-G104 WeakPolarHBondContact O-CA 3.43Å; L100-G104 PolarHBondContact O-N 2.88Å; L100-L106 HydrophobicContact CD1-CG 4.13Å; L100-Q210 HydrophobicContact CD2-CB 4.21Å; L100-Q210 HydrophobicContact CD2-CG 3.73Å
101Q86.2Confident88.3Confident163 Ų16346.4 Ų46.476%0.76228%0.283SS*.Hα-helixtrans-65.2-36.3175.5-175.1171.8-55.400111.6A97 D98A97-Q101 WeakPolarHBondContact O-CB 3.19Å; A97-Q101 PolarHBondContact O-N 3.02Å; D98-Q101 PolarHBondContact O-N 3.4Å
102A83.9Confident88.4Confident87 Ų8749.6 Ų49.672%0.71930%0.295SS*.Hα-helixtrans-72.9-33.2176.800000113.6D98 Y99 L100D98-A102 WeakPolarHBondContact O-CB 3.32Å; D98-A102 PolarHBondContact O-N 3.03Å; Y99-A102 PolarHBondContact O-N 3.13Å; L100-A102 VanDerWaalsContact C-N 3.31Å; L100-A102 PolarHBondContact O-N 3.36Å
103K84.8Confident88.7Confident86 Ų8649.8 Ų49.837%0.37430%0.296SS..Hα-helixtrans-93.8-18.3179.3-59.1-67-179.9178.90113.9Y99 L100 T105 L106 N150Y99-K103 HydrophobicContact CD2-CG 4.48Å; Y99-K103 HydrophobicContact CE1-CG 4.32Å; Y99-K103 HydrophobicContact CE2-CD 4.47Å; Y99-K103 VanDerWaalsContact CE2-CE 3.49Å; Y99-K103 HydrophobicContact CE2-CG 4.13Å; Y99-K103 VanDerWaalsContact O-CG 3.31Å; Y99-K103 WeakPolarHBondContact O-CG 3.23Å; Y99-K103 PolarHBondContact O-N 2.83Å; Y99-K103 VanDerWaalsContact O-N 3.07Å; L100-K103 PolarHBondContact O-N 3.48Å; K103-T105 PolarHBondContact O-N 3.4Å; K103-L106 HydrophobicContact CB-CD2 3.77Å; K103-L106 HydrophobicContact CG-CD2 3.91Å; K103-N150 PolarHBondContact NZ-OD1 2.76Å
104G85.3Confident89.2Confident41 Ų4148.6 Ų48.642%0.42328%0.281SS..SBendtrans75.8-52.2-173.600000113.6L100 G214L100-G104 VanDerWaalsContact O-CA 3.32Å; L100-G104 WeakPolarHBondContact O-CA 3.43Å; L100-G104 PolarHBondContact O-N 2.88Å; G104-G214 WeakPolarHBondContact O-CA 3.39Å
105T90.2Very high89.6Confident75 Ų7547.1 Ų47.146%0.4627%0.265SS..SBendtrans-143.1161.8170.253.90000109.9K103K103-T105 PolarHBondContact O-N 3.4Å
106L91.2Very high89.7Confident11 Ų1149.7 Ų49.76%0.05827%0.273CS..  trans-110.9145.6177.1-57.8-176.9000111L96 Y99 L100 K103 T110 I111 L114 C211L96-L106 HydrophobicContact CD1-CD1 4.04Å; Y99-L106 HydrophobicContact CD1-CD1 4.15Å; Y99-L106 HydrophobicContact CD1-CD2 3.87Å; Y99-L106 HydrophobicContact CE1-CD1 4.1Å; Y99-L106 HydrophobicContact CE1-CD2 3.47Å; Y99-L106 VanDerWaalsContact CE1-CD2 3.47Å; Y99-L106 HydrophobicContact CE1-CG 4.46Å; L100-L106 HydrophobicContact CD1-CG 4.13Å; K103-L106 HydrophobicContact CB-CD2 3.77Å; K103-L106 HydrophobicContact CG-CD2 3.91Å; L106-T110 HydrophobicContact CB-CG2 4.21Å; L106-T110 HydrophobicContact CD1-CG2 4.11Å; L106-T110 HydrophobicContact CD2-CG2 4.4Å; L106-T110 HydrophobicContact CG-CG2 4.47Å; L106-I111 HydrophobicContact CB-CD1 4.39Å; L106-I111 HydrophobicContact CB-CG1 3.9Å; L106-I111 WeakPolarHBondContact O-CD1 3.23Å; L106-L114 HydrophobicContact CD1-CD1 3.79Å; L106-C211 HydrophobicContact CB-CB 4.45Å; L106-C211 HydrophobicContact CD1-CB 4.13Å; L106-C211 HydrophobicContact CG-CB 4.43Å; L106-C211 PolarHBondContact N-O 3.35Å
107S91.2Very high89.8Confident63 Ų6350.4 Ų50.444%0.44128%0.276SS..  trans-65.3153.7172.766.10000111.2D109 T110 I111S107-D109 PolarHBondContact O-N 2.84Å; S107-T110 WeakPolarHBondContact O-CA 3.37Å; S107-T110 WeakPolarHBondContact O-CB 3.49Å; S107-T110 PolarHBondContact O-N 3.45Å; S107-T110 PolarHBondContact OG-N 2.88Å; S107-T110 PolarHBondContact OG-OG1 3.36Å; S107-I111 WeakPolarHBondContact O-CG1 3.49Å; S107-I111 PolarHBondContact O-N 2.92Å
108E92.1Very high89.9Confident35 Ų3550.1 Ų50.116%0.16427%0.273CS..Hα-helixtrans-59.9-32.4179.6-66.3-154.9-176.400113.5T110 I111 R112 A244 S245 L248 F274E108-T110 VanDerWaalsContact C-N 3.35Å; E108-I111 CarbonylContact O-C 3.3Å; E108-I111 PolarHBondContact O-N 2.88Å; E108-R112 VanDerWaalsContact O-CB 3.25Å; E108-R112 WeakPolarHBondContact O-CB 3.45Å; E108-R112 PolarHBondContact O-N 2.7Å; E108-A244 WeakPolarHBondContact OE1-CA 3.36Å; E108-S245 PolarHBondContact OE1-N 2.76Å; E108-S245 PolarHBondContact OE1-OG 2.86Å; E108-S245 WeakPolarHBondContact OE2-CB 3.46Å; E108-S245 PolarHBondContact OE2-OG 2.92Å; E108-L248 HydrophobicContact CG-CD2 3.73Å; E108-F274 HydrophobicContact CB-CE2 4.49Å
109D88.6Confident90.3Very high104 Ų10445.7 Ų45.756%0.55625%0.25SS*.Hα-helixtrans-68-36.8176.3-52.8-54.9000111.6S107 R112 L113S107-D109 PolarHBondContact O-N 2.84Å; D109-R112 PolarHBondContact O-N 3.15Å; D109-R112 IonicContact OD1-CZ 2.69Å; D109-R112 IonicContact OD1-NH1 3.12Å; D109-R112 PolarHBondContact OD1-NH1 2.93Å; D109-R112 IonicContact OD1-NH2 3.13Å; D109-L113 WeakPolarHBondContact O-CB 3.45Å; D109-L113 PolarHBondContact O-N 2.74Å
110T89.9Confident90.4Very high9 Ų945.8 Ų45.86%0.05526%0.258CS..Hα-helixtrans-65.8-46.7171.1-53.10000110.3Y99 L106 S107 E108 R112 L113 L114 P153Y99-T110 HydrophobicContact CE1-CG2 4.35Å; L106-T110 HydrophobicContact CB-CG2 4.21Å; L106-T110 HydrophobicContact CD1-CG2 4.11Å; L106-T110 HydrophobicContact CD2-CG2 4.4Å; L106-T110 HydrophobicContact CG-CG2 4.47Å; S107-T110 WeakPolarHBondContact O-CA 3.37Å; S107-T110 WeakPolarHBondContact O-CB 3.49Å; S107-T110 PolarHBondContact O-N 3.45Å; S107-T110 PolarHBondContact OG-N 2.88Å; S107-T110 PolarHBondContact OG-OG1 3.36Å; E108-T110 VanDerWaalsContact C-N 3.35Å; T110-R112 VanDerWaalsContact C-N 3.28Å; T110-R112 PolarHBondContact O-N 3.33Å; T110-L113 PolarHBondContact O-N 3.48Å; T110-L114 HydrophobicContact CG2-CD1 4.03Å; T110-L114 HydrophobicContact CG2-CG 4.45Å; T110-L114 WeakPolarHBondContact O-CB 3.29Å; T110-L114 VanDerWaalsContact O-CG 3.28Å; T110-L114 WeakPolarHBondContact O-CG 3.11Å; T110-L114 PolarHBondContact O-N 2.85Å; T110-P153 HydrophobicContact CG2-CB 4.28Å
111I93.3Very high90.5Very high5 Ų545.5 Ų45.53%0.02626%0.257CS..Hα-helixtrans-59.6-40.1176.5-66173.1000110.6L106 S107 E108 L115 V208 C211 L212 L248 F274L106-I111 HydrophobicContact CB-CD1 4.39Å; L106-I111 HydrophobicContact CB-CG1 3.9Å; L106-I111 WeakPolarHBondContact O-CD1 3.23Å; S107-I111 WeakPolarHBondContact O-CG1 3.49Å; S107-I111 PolarHBondContact O-N 2.92Å; E108-I111 CarbonylContact O-C 3.3Å; E108-I111 PolarHBondContact O-N 2.88Å; I111-L115 WeakPolarHBondContact O-CB 3.28Å; I111-L115 PolarHBondContact O-N 3.02Å; I111-V208 HydrophobicContact CG2-CG1 3.95Å; I111-C211 HydrophobicContact CD1-CB 3.96Å; I111-C211 HydrophobicContact CG1-CB 3.87Å; I111-L212 HydrophobicContact CD1-CB 4.08Å; I111-L212 HydrophobicContact CD1-CD1 4.42Å; I111-L248 HydrophobicContact CD1-CD2 4.42Å; I111-L248 HydrophobicContact CG2-CD1 4.23Å; I111-F274 HydrophobicContact CG2-CE1 4.14Å; I111-F274 HydrophobicContact CG2-CZ 4.18Å
112R93Very high90.9Very high68 Ų6837.9 Ų37.926%0.25722%0.221SC..Hα-helixtrans-65.1-47.4177.2-171.2173.8-46.8106.17.1112.1E108 D109 T110 L114 L115 R116 F274E108-R112 VanDerWaalsContact O-CB 3.25Å; E108-R112 WeakPolarHBondContact O-CB 3.45Å; E108-R112 PolarHBondContact O-N 2.7Å; D109-R112 PolarHBondContact O-N 3.15Å; D109-R112 IonicContact OD1-CZ 2.69Å; D109-R112 IonicContact OD1-NH1 3.12Å; D109-R112 PolarHBondContact OD1-NH1 2.93Å; D109-R112 IonicContact OD1-NH2 3.13Å; T110-R112 VanDerWaalsContact C-N 3.28Å; T110-R112 PolarHBondContact O-N 3.33Å; R112-L114 VanDerWaalsContact C-N 3.35Å; R112-L114 PolarHBondContact O-N 2.72Å; R112-L115 PolarHBondContact O-N 3.32Å; R112-R116 WeakPolarHBondContact O-CB 3.46Å; R112-R116 WeakPolarHBondContact O-CD 3.14Å; R112-R116 VanDerWaalsContact O-CG 3.28Å; R112-R116 WeakPolarHBondContact O-CG 3.49Å; R112-R116 PolarHBondContact O-N 3.06Å; R112-F274 HydrophobicContact CB-CE1 3.8Å; R112-F274 HydrophobicContact CB-CZ 3.79Å; R112-F274 WeakPolarHBondContact CD-O 3.33Å; R112-F274 HydrophobicContact CG-CD1 4.45Å; R112-F274 HydrophobicContact CG-CE1 4.18Å; R112-F274 HydrophobicContact CG-CZ 4.4Å; R112-F274 WeakPolarHBondContact CG-O 3.38Å; R112-F274 PolarHBondContact NE-O 2.92Å
113L90.6Very high91.2Very high55 Ų5539.5 Ų39.529%0.28821%0.212SC..Hα-helixtrans-62.6-41.6178.9-170.577.5000111.9D109 T110 Q117 P153D109-L113 WeakPolarHBondContact O-CB 3.45Å; D109-L113 PolarHBondContact O-N 2.74Å; T110-L113 PolarHBondContact O-N 3.48Å; L113-Q117 WeakPolarHBondContact O-CG 3.44Å; L113-Q117 PolarHBondContact O-NE2 2.86Å; L113-P153 VanDerWaalsContact CD2-C 3.46Å; L113-P153 HydrophobicContact CD2-CB 4.43Å; L113-P153 WeakPolarHBondContact CD2-O 3.33Å
114L91.6Very high91.4Very high8 Ų836 Ų364%0.04220%0.199CC..Hα-helixtrans-69.6-47.6175.1-63.4172.5000110.9L96 L106 T110 R112 R116 Q117 I118 L142 I156 L158L96-L114 HydrophobicContact CD1-CD1 3.78Å; L106-L114 HydrophobicContact CD1-CD1 3.79Å; T110-L114 HydrophobicContact CG2-CD1 4.03Å; T110-L114 HydrophobicContact CG2-CG 4.45Å; T110-L114 WeakPolarHBondContact O-CB 3.29Å; T110-L114 VanDerWaalsContact O-CG 3.28Å; T110-L114 WeakPolarHBondContact O-CG 3.11Å; T110-L114 PolarHBondContact O-N 2.85Å; R112-L114 VanDerWaalsContact C-N 3.35Å; R112-L114 PolarHBondContact O-N 2.72Å; L114-R116 VanDerWaalsContact C-N 3.3Å; L114-R116 PolarHBondContact O-N 2.78Å; L114-Q117 WeakPolarHBondContact O-CB 3.46Å; L114-Q117 PolarHBondContact O-N 3.49Å; L114-I118 WeakPolarHBondContact O-CG1 3.31Å; L114-I118 PolarHBondContact O-N 3.09Å; L114-L142 HydrophobicContact CD2-CD2 4.23Å; L114-I156 HydrophobicContact CD2-CG2 4.36Å; L114-L158 HydrophobicContact CB-CD2 3.82Å; L114-L158 HydrophobicContact CD2-CD2 3.58Å; L114-L158 HydrophobicContact CG-CD2 4.3Å; L114-L158 WeakPolarHBondContact O-CD2 3.29Å
115L93.9Very high91.5Very high2 Ų234.2 Ų34.21%0.0118%0.179CC..Hα-helixtrans-65.8-30.7-175.6-167.260.4000113I111 R112 I118 A119 I204 V208 M251 F269 F274 L275I111-L115 WeakPolarHBondContact O-CB 3.28Å; I111-L115 PolarHBondContact O-N 3.02Å; R112-L115 PolarHBondContact O-N 3.32Å; L115-I118 HydrophobicContact CD1-CB 4.39Å; L115-I118 HydrophobicContact CD1-CD1 4.32Å; L115-I118 HydrophobicContact CD1-CG2 4.47Å; L115-I118 PolarHBondContact O-N 2.93Å; L115-A119 VanDerWaalsContact O-CB 3.27Å; L115-A119 WeakPolarHBondContact O-CB 3.02Å; L115-A119 PolarHBondContact O-N 2.59Å; L115-I204 HydrophobicContact CD1-CG2 3.48Å; L115-I204 VanDerWaalsContact CD1-CG2 3.48Å; L115-V208 HydrophobicContact CD1-CG2 3.52Å; L115-V208 HydrophobicContact CD2-CG2 3.79Å; L115-V208 HydrophobicContact CG-CG2 4.2Å; L115-M251 HydrophobicContact CD2-CE 4.03Å; L115-M251 HydrophobicContact CD2-CG 4.33Å; L115-F269 HydrophobicContact CD1-CE2 4.32Å; L115-F269 HydrophobicContact CD1-CZ 4.15Å; L115-F269 HydrophobicContact CG-CE2 4.5Å; L115-F274 HydrophobicContact CD2-CD1 4.17Å; L115-F274 HydrophobicContact CD2-CE1 4.26Å; L115-L275 HydrophobicContact CB-CD2 4.02Å; L115-L275 HydrophobicContact CD2-CD2 3.89Å; L115-L275 HydrophobicContact CG-CD2 3.74Å
116R92Very high91.3Very high80 Ų8033.2 Ų33.230%0.30217%0.171SC..Hα-helixtrans-61.1-42.7169.6-78.2165.453.893.1-10.1112.6R112 L114 A119 A120 L275 D277R112-R116 WeakPolarHBondContact O-CB 3.46Å; R112-R116 WeakPolarHBondContact O-CD 3.14Å; R112-R116 VanDerWaalsContact O-CG 3.28Å; R112-R116 WeakPolarHBondContact O-CG 3.49Å; R112-R116 PolarHBondContact O-N 3.06Å; L114-R116 VanDerWaalsContact C-N 3.3Å; L114-R116 PolarHBondContact O-N 2.78Å; R116-A119 PolarHBondContact O-N 2.67Å; R116-A120 PolarHBondContact O-N 3.15Å; R116-L275 WeakPolarHBondContact CD-O 3.47Å; R116-L275 HydrophobicContact CG-CB 4.25Å; R116-L275 HydrophobicContact CG-CD2 4.16Å; R116-L275 WeakPolarHBondContact CG-O 3.43Å; R116-L275 PolarHBondContact NH1-O 2.98Å; R116-D277 VanDerWaalsContact CZ-CG 3.43Å; R116-D277 IonicContact CZ-OD1 2.8Å; R116-D277 IonicContact CZ-OD2 3.49Å; R116-D277 IonicContact NE-OD1 2.71Å; R116-D277 IonicContact NH1-OD1 3.49Å; R116-D277 PolarHBondContact NH1-OD1 2.81Å; R116-D277 IonicContact NH1-OD2 2.69Å; R116-D277 PolarHBondContact NH1-OD2 2.71Å; R116-D277 IonicContact NH2-OD1 3.62Å; R116-D277 PolarHBondContact NH2-OD1 2.96Å; R116-D277 IonicContact NH2-OD2 3.39Å; R116-D277 PolarHBondContact NH2-OD2 3.42Å
117Q93Very high91Very high16 Ų1637 Ų378%0.07520%0.199CC..Hα-helixtrans-71.4-38.3178.1-68.2-179.976.300112N70 L113 L114 A119 A120 A121 I156 L158N70-Q117 HydrophobicContact CB-CB 4.49Å; N70-Q117 WeakPolarHBondContact CB-O 3.47Å; N70-Q117 PolarHBondContact ND2-OE1 2.89Å; L113-Q117 WeakPolarHBondContact O-CG 3.44Å; L113-Q117 PolarHBondContact O-NE2 2.86Å; L114-Q117 WeakPolarHBondContact O-CB 3.46Å; L114-Q117 PolarHBondContact O-N 3.49Å; Q117-A119 VanDerWaalsContact C-N 3.34Å; Q117-A120 PolarHBondContact O-N 3.04Å; Q117-A121 PolarHBondContact O-N 3.42Å; Q117-A121 VanDerWaalsContact O-N 3.07Å; Q117-I156 PolarHBondContact NE2-O 3.26Å; Q117-L158 HydrophobicContact CB-CD1 4.08Å; Q117-L158 HydrophobicContact CB-CD2 3.76Å; Q117-L158 HydrophobicContact CB-CG 3.64Å
118I93.7Very high90.6Very high6 Ų637.6 Ų37.63%0.03119%0.191CC..Hα-helixtrans-59.8-45.4169.1-65.5167.9000110L114 L115 A120 A121 I122 I140 L158 I160 I204L114-I118 WeakPolarHBondContact O-CG1 3.31Å; L114-I118 PolarHBondContact O-N 3.09Å; L115-I118 HydrophobicContact CD1-CB 4.39Å; L115-I118 HydrophobicContact CD1-CD1 4.32Å; L115-I118 HydrophobicContact CD1-CG2 4.47Å; L115-I118 PolarHBondContact O-N 2.93Å; I118-A120 PolarHBondContact O-N 3.07Å; I118-A121 PolarHBondContact O-N 3.38Å; I118-I122 HydrophobicContact CG2-CG1 4Å; I118-I122 WeakPolarHBondContact O-CB 2.87Å; I118-I122 WeakPolarHBondContact O-CG1 3.36Å; I118-I122 PolarHBondContact O-N 2.79Å; I118-I140 HydrophobicContact CD1-CD1 3.82Å; I118-I140 HydrophobicContact CG1-CD1 4.28Å; I118-L158 HydrophobicContact CG1-CD1 3.89Å; I118-L158 HydrophobicContact CG1-CD2 3.98Å; I118-I160 HydrophobicContact CG2-CD1 4.42Å; I118-I204 HydrophobicContact CG2-CD1 4Å; I118-I204 HydrophobicContact CG2-CG1 4.02Å; I118-I204 HydrophobicContact CG2-CG2 4.39Å
119A93.4Very high90.2Very high8 Ų837.1 Ų37.17%0.06620%0.196CC..Hα-helixtrans-61.6-41.5179.500000112.4L115 R116 Q117 I122 K123 F269 F270 L275L115-A119 VanDerWaalsContact O-CB 3.27Å; L115-A119 WeakPolarHBondContact O-CB 3.02Å; L115-A119 PolarHBondContact O-N 2.59Å; R116-A119 PolarHBondContact O-N 2.67Å; Q117-A119 VanDerWaalsContact C-N 3.34Å; A119-I122 PolarHBondContact O-N 3.5Å; A119-K123 VanDerWaalsContact O-CB 3.32Å; A119-K123 WeakPolarHBondContact O-CB 3.46Å; A119-K123 PolarHBondContact O-N 3.05Å; A119-F269 HydrophobicContact CB-CE1 3.89Å; A119-F269 HydrophobicContact CB-CZ 4.1Å; A119-F270 HydrophobicContact CB-CD1 4.13Å; A119-F270 VanDerWaalsContact O-CE1 3.3Å; A119-F270 WeakPolarHBondContact O-CE1 2.93Å; A119-L275 HydrophobicContact CB-CD1 3.78Å
120A91.6Very high90Very high34 Ų3432.2 Ų32.228%0.28117%0.17SC..Hα-helixtrans-60-51.3173.400000111.9H68 R116 Q117 I118 I122 K123 A124H68-A120 PolarHBondContact NE2-O 2.73Å; R116-A120 PolarHBondContact O-N 3.15Å; Q117-A120 PolarHBondContact O-N 3.04Å; I118-A120 PolarHBondContact O-N 3.07Å; A120-I122 VanDerWaalsContact C-N 3.34Å; A120-I122 PolarHBondContact O-N 3.08Å; A120-K123 WeakPolarHBondContact O-CB 3.25Å; A120-K123 PolarHBondContact O-N 3.15Å; A120-A124 PolarHBondContact O-N 3.4Å
121A91.2Very high89.8Confident0 Ų032 Ų320%017%0.168CC..Hα-helixtrans-56.6-45.1176.800000112.8H68 N70 L71 Q117 I118 A124 I125 I160H68-A121 PolarHBondContact CE1-N 2.81Å; N70-A121 HydrophobicContact CB-CB 3.92Å; N70-A121 WeakPolarHBondContact O-CB 3.46Å; L71-A121 HydrophobicContact CD2-CB 3.73Å; L71-A121 HydrophobicContact CG-CB 4.45Å; Q117-A121 PolarHBondContact O-N 3.42Å; Q117-A121 VanDerWaalsContact O-N 3.07Å; I118-A121 PolarHBondContact O-N 3.38Å; A121-A124 WeakPolarHBondContact O-CB 3.25Å; A121-A124 PolarHBondContact O-N 3.25Å; A121-I125 VanDerWaalsContact O-CG1 3.28Å; A121-I125 WeakPolarHBondContact O-CG1 3.31Å; A121-I125 PolarHBondContact O-N 2.64Å; A121-I160 HydrophobicContact CB-CD1 3.49Å; A121-I160 VanDerWaalsContact CB-CD1 3.49Å; A121-I160 HydrophobicContact CB-CG1 3.85Å
122I93.6Very high89.5Confident2 Ų231.7 Ų31.71%0.0117%0.167CC..Hα-helixtrans-70-34.1-179.1-66.9-74.1000111.5I118 A119 A120 I125 N126 L135 I160 I204 F266 F270I118-I122 HydrophobicContact CG2-CG1 4Å; I118-I122 WeakPolarHBondContact O-CB 2.87Å; I118-I122 WeakPolarHBondContact O-CG1 3.36Å; I118-I122 PolarHBondContact O-N 2.79Å; A119-I122 PolarHBondContact O-N 3.5Å; A120-I122 VanDerWaalsContact C-N 3.34Å; A120-I122 PolarHBondContact O-N 3.08Å; I122-I125 HydrophobicContact CD1-CD1 4.33Å; I122-I125 PolarHBondContact O-N 3.24Å; I122-N126 WeakPolarHBondContact O-CB 3.31Å; I122-N126 PolarHBondContact O-N 3.41Å; I122-L135 HydrophobicContact CD1-CD1 3.68Å; I122-I160 HydrophobicContact CD1-CD1 4Å; I122-I160 HydrophobicContact CG1-CD1 4.01Å; I122-I204 HydrophobicContact CD1-CD1 4.02Å; I122-I204 HydrophobicContact CG1-CD1 3.78Å; I122-I204 HydrophobicContact CG2-CD1 4.37Å; I122-F266 HydrophobicContact CG2-CD1 3.9Å; I122-F266 HydrophobicContact CG2-CE1 3.62Å; I122-F270 HydrophobicContact CB-CE1 4.44Å; I122-F270 HydrophobicContact CG2-CE1 4.17Å; I122-F270 HydrophobicContact CG2-CZ 4.23Å
123K90.6Very high89.2Confident122 Ų12229.5 Ų29.553%0.5316%0.159SC..Hα-helixtrans-62.6-43.2171.9-167.1165.9-174.4169.40111.5A119 A120 S127 F270A119-K123 VanDerWaalsContact O-CB 3.32Å; A119-K123 WeakPolarHBondContact O-CB 3.46Å; A119-K123 PolarHBondContact O-N 3.05Å; A120-K123 WeakPolarHBondContact O-CB 3.25Å; A120-K123 PolarHBondContact O-N 3.15Å; K123-S127 WeakPolarHBondContact O-CB 3.28Å; K123-S127 PolarHBondContact O-N 3.2Å; K123-S127 VanDerWaalsContact O-N 3.07Å; K123-F270 HydrophobicContact CB-CD1 4.38Å; K123-F270 HydrophobicContact CB-CD2 4.37Å; K123-F270 HydrophobicContact CB-CE1 3.82Å; K123-F270 HydrophobicContact CB-CE2 3.8Å; K123-F270 HydrophobicContact CB-CZ 3.51Å; K123-F270 HydrophobicContact CD-CD2 3.88Å; K123-F270 HydrophobicContact CD-CE2 4.05Å; K123-F270 HydrophobicContact CD-CG 4.19Å; K123-F270 HydrophobicContact CG-CD2 4.04Å; K123-F270 HydrophobicContact CG-CE2 3.67Å; K123-F270 HydrophobicContact CG-CZ 3.94Å
124A88.7Confident89.1Confident12 Ų1227.1 Ų27.110%0.09915%0.146CC..Hα-helixtrans-62.3-51.6173.800000112.5L66 L71 A120 A121 N126 S127L66-A124 HydrophobicContact CD1-CB 4.15Å; L71-A124 HydrophobicContact CD1-CB 4.18Å; A120-A124 PolarHBondContact O-N 3.4Å; A121-A124 WeakPolarHBondContact O-CB 3.25Å; A121-A124 PolarHBondContact O-N 3.25Å; A124-N126 PolarHBondContact O-N 2.96Å; A124-S127 PolarHBondContact O-N 2.9Å; A124-S127 PolarHBondContact O-OG 2.89Å
125I88.3Confident89.2Confident3 Ų326.8 Ų26.82%0.01514%0.144CC..Hα-helixtrans-57.4-48.9177.9-67.5163.2000111.4L63 L71 A121 I122 S127 R128 I130 I160 F163L63-I125 HydrophobicContact CD1-CG1 4.35Å; L63-I125 HydrophobicContact CD2-CG1 4.14Å; L71-I125 HydrophobicContact CD1-CG1 4.23Å; L71-I125 HydrophobicContact CD2-CD1 3.63Å; L71-I125 HydrophobicContact CD2-CG1 3.79Å; A121-I125 VanDerWaalsContact O-CG1 3.28Å; A121-I125 WeakPolarHBondContact O-CG1 3.31Å; A121-I125 PolarHBondContact O-N 2.64Å; I122-I125 HydrophobicContact CD1-CD1 4.33Å; I122-I125 PolarHBondContact O-N 3.24Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 3.48Å; I125-R128 PolarHBondContact O-N 2.69Å; I125-I130 HydrophobicContact CG2-CB 3.79Å; I125-I130 HydrophobicContact CG2-CG2 3.8Å; I125-I130 WeakPolarHBondContact CG2-O 3.3Å; I125-I130 PolarHBondContact O-N 3.45Å; I125-I160 HydrophobicContact CD1-CD1 4.47Å; I125-I160 HydrophobicContact CD1-CG2 4.49Å; I125-F163 HydrophobicContact CD1-CE1 3.88Å; I125-F163 HydrophobicContact CD1-CZ 3.95Å; I125-F163 HydrophobicContact CG1-CE1 4.19Å; I125-F163 HydrophobicContact CG1-CZ 4.42Å
126N86.4Confident89.1Confident55 Ų5528.2 Ų28.229%0.29415%0.15SC..Hα-helixtrans-64.3-35.5-178.6-170.852.6000111.8I122 A124 R128 G129 F266I122-N126 WeakPolarHBondContact O-CB 3.31Å; I122-N126 PolarHBondContact O-N 3.41Å; A124-N126 PolarHBondContact O-N 2.96Å; N126-R128 PolarHBondContact O-N 3.36Å; N126-G129 PolarHBondContact O-N 3.05Å; N126-F266 HydrophobicContact CB-CD1 4.41Å; N126-F266 HydrophobicContact CB-CE1 4.48Å
127S84.3Confident89Confident91 Ų9124.4 Ų24.464%0.63614%0.136SC*.Hα-helixtrans-62.9-24.6176.877.90000114.7K123 A124 I125 G129K123-S127 WeakPolarHBondContact O-CB 3.28Å; K123-S127 PolarHBondContact O-N 3.2Å; K123-S127 VanDerWaalsContact O-N 3.07Å; A124-S127 PolarHBondContact O-N 2.9Å; A124-S127 PolarHBondContact O-OG 2.89Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 3.48Å; S127-G129 VanDerWaalsContact C-N 3.33Å
128R83.3Confident88.9Confident74 Ų7427.4 Ų27.428%0.27915%0.15SC..THydrogen-bonded Turntrans-893.3172.8-73.7-82.1-176.3144.25.6112.6E62 L66 I125 N126 I130E62-R128 PolarHBondContact O-NE 3.15Å; E62-R128 PolarHBondContact O-NH1 2.95Å; E62-R128 VanDerWaalsContact O-NH1 3.12Å; E62-R128 PolarHBondContact O-NH2 3.03Å; E62-R128 IonicContact OE2-CZ 3.26Å; E62-R128 IonicContact OE2-NH1 2.63Å; E62-R128 PolarHBondContact OE2-NH1 3.32Å; L66-R128 HydrophobicContact CD1-CG 3.93Å; I125-R128 PolarHBondContact O-N 2.69Å; N126-R128 PolarHBondContact O-N 3.36Å; R128-I130 VanDerWaalsContact C-N 3.32Å; R128-I130 HydrophobicContact CB-CD1 3.59Å; R128-I130 HydrophobicContact CB-CG1 4.03Å; R128-I130 HydrophobicContact CG-CD1 4.45Å
129G82.6Confident88.8Confident25 Ų2527.7 Ų27.726%0.25815%0.151SC..THydrogen-bonded Turntrans66.233-175.700000113.1N126 S127 F168 L169N126-G129 PolarHBondContact O-N 3.05Å; S127-G129 VanDerWaalsContact C-N 3.33Å; G129-F168 CarbonylContact O-C 3.55Å; G129-F168 WeakPolarHBondContact O-CA 3.46Å; G129-L169 PolarHBondContact O-N 3.03Å
130I84Confident88.7Confident2 Ų227.3 Ų27.31%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-103.4145.8-179.4-62.8162.3000109.3I59 L63 I125 R128 A166 R167 F168I59-I130 HydrophobicContact CG2-CD1 4.22Å; I59-I130 HydrophobicContact CG2-CG2 4.02Å; L63-I130 HydrophobicContact CD1-CD1 4.39Å; L63-I130 HydrophobicContact CD2-CD1 3.77Å; L63-I130 HydrophobicContact CG-CD1 3.92Å; I125-I130 HydrophobicContact CG2-CB 3.79Å; I125-I130 HydrophobicContact CG2-CG2 3.8Å; I125-I130 WeakPolarHBondContact CG2-O 3.3Å; I125-I130 PolarHBondContact O-N 3.45Å; R128-I130 VanDerWaalsContact C-N 3.32Å; R128-I130 HydrophobicContact CB-CD1 3.59Å; R128-I130 HydrophobicContact CB-CG1 4.03Å; R128-I130 HydrophobicContact CG-CD1 4.45Å; I130-A166 HydrophobicContact CG2-CB 4.29Å; I130-R167 CarbonylContact C-O 3.44Å; I130-R167 WeakPolarHBondContact CA-O 3.46Å; I130-F168 HydrophobicContact CD1-CD1 4.44Å; I130-F168 HydrophobicContact CD1-CE1 3.82Å; I130-F168 HydrophobicContact CD1-CZ 4.29Å; I130-F168 HydrophobicContact CG1-CD1 3.71Å; I130-F168 HydrophobicContact CG1-CE1 3.6Å; I130-F168 HydrophobicContact CG1-CZ 4.32Å
131V86.2Confident88.7Confident3 Ų326.4 Ų26.42%0.01814%0.139CC..EExtended strand (participates in β ladder)trans-129.4131.9172.9-174.70000108.2R133 A166 R167 L169 A197 D200V131-R133 HydrophobicContact CB-CG 4.29Å; V131-R133 HydrophobicContact CG1-CG 3.73Å; V131-A166 CarbonylContact O-C 3.56Å; V131-A166 VanDerWaalsContact O-CA 3.22Å; V131-A166 WeakPolarHBondContact O-CA 3.49Å; V131-R167 PolarHBondContact N-O 2.99Å; V131-R167 PolarHBondContact O-N 3.5Å; V131-L169 HydrophobicContact CG2-CB 3.68Å; V131-L169 HydrophobicContact CG2-CD2 3.76Å; V131-L169 HydrophobicContact CG2-CG 4.36Å; V131-A197 HydrophobicContact CG2-CB 3.58Å; V131-D200 VanDerWaalsContact CG1-OD2 3.25Å; V131-D200 WeakPolarHBondContact CG1-OD2 2.92Å
132H88.4Confident88.7Confident0 Ų026.5 Ų26.50%014%0.139CC..  trans-82.2-43.5-168.1-165.2-46.6000113.2D134 L135 I160 A161 D162 F163 F165 A166 D200H132-D134 PolarHBondContact O-N 3.24Å; H132-D134 VanDerWaalsContact O-N 3.11Å; H132-L135 HydrophobicContact CB-CD1 4.46Å; H132-L135 HydrophobicContact CB-CD2 4.24Å; H132-L135 HydrophobicContact CB-CG 4.01Å; H132-L135 VanDerWaalsContact CD2-CD2 3.42Å; H132-L135 WeakPolarHBondContact CD2-CD2 3.46Å; H132-I160 VanDerWaalsContact CD2-CG2 3.43Å; H132-I160 WeakPolarHBondContact CD2-CG2 3.25Å; H132-I160 VanDerWaalsContact NE2-CG2 3.25Å; H132-I160 WeakPolarHBondContact NE2-CG2 3.27Å; H132-A161 PolarHBondContact CE1-O 3.2Å; H132-A161 VanDerWaalsContact CE1-O 3.23Å; H132-A161 PolarHBondContact NE2-O 3.07Å; H132-D162 PolarHBondContact CE1-O 3.19Å; H132-F163 AromaticContact CD2-CE1 3.7Å; H132-F165 CarbonylContact O-C 3.5Å; H132-A166 WeakPolarHBondContact O-CA 3.15Å; H132-A166 PolarHBondContact O-N 3.45Å; H132-D200 PolarHBondContact N-OD2 3.02Å
133R86.9Confident88.3Confident22 Ų2227 Ų278%0.08314%0.143CC..SBendtrans646.7172.6-45.5-170.9-63.51384.1117.4V131 F165 C179 G180 Y195 D200V131-R133 HydrophobicContact CB-CG 4.29Å; V131-R133 HydrophobicContact CG1-CG 3.73Å; R133-F165 PolarHBondContact NE-O 3.47Å; R133-F165 PolarHBondContact NH2-O 3.49Å; R133-C179 PolarHBondContact NH1-SG 3.34Å; R133-G180 WeakPolarHBondContact O-CA 3.13Å; R133-Y195 WeakPolarHBondContact CD-OH 3.24Å; R133-Y195 HydrophobicContact CG-CE2 4.21Å; R133-Y195 PolarHBondContact NH1-OH 3.01Å; R133-D200 PolarHBondContact N-OD1 3.41Å
134D88.3Confident87.9Confident4 Ų422 Ų222%0.02112%0.122CC..  trans-150.847.4170.2-165.834.7000111.2H132 K136 N139 F165 G180 S181H132-D134 PolarHBondContact O-N 3.24Å; H132-D134 VanDerWaalsContact O-N 3.11Å; D134-K136 PolarHBondContact O-N 2.68Å; D134-K136 IonicContact OD1-NZ 3.73Å; D134-K136 IonicContact OD2-NZ 2.67Å; D134-K136 PolarHBondContact OD2-NZ 3.22Å; D134-N139 PolarHBondContact O-ND2 3.25Å; D134-N139 PolarHBondContact OD2-ND2 3.41Å; D134-F165 HydrophobicContact CB-CB 4.13Å; D134-F165 HydrophobicContact CB-CD2 3.74Å; D134-F165 HydrophobicContact CB-CG 4.28Å; D134-G180 WeakPolarHBondContact OD1-CA 3.49Å; D134-S181 VanDerWaalsContact OD1-CB 3.32Å; D134-S181 WeakPolarHBondContact OD1-CB 3.21Å; D134-S181 PolarHBondContact OD1-N 2.64Å; D134-S181 PolarHBondContact OD1-OG 3.29Å
135L92.1Very high87.3Confident2 Ų226.9 Ų26.91%0.0115%0.146CC..  trans-72.2124.1169.7-69.4171.9000109.1I122 H132 I160 Y184 D200 S203 I204 I207I122-L135 HydrophobicContact CD1-CD1 3.68Å; H132-L135 HydrophobicContact CB-CD1 4.46Å; H132-L135 HydrophobicContact CB-CD2 4.24Å; H132-L135 HydrophobicContact CB-CG 4.01Å; H132-L135 VanDerWaalsContact CD2-CD2 3.42Å; H132-L135 WeakPolarHBondContact CD2-CD2 3.46Å; L135-I160 HydrophobicContact CD2-CD1 4.28Å; L135-I160 HydrophobicContact CD2-CG2 3.8Å; L135-Y184 WeakPolarHBondContact O-CB 3.15Å; L135-D200 HydrophobicContact CD1-CB 3.67Å; L135-S203 WeakPolarHBondContact O-CB 3.1Å; L135-I204 HydrophobicContact CD1-CD1 4.35Å; L135-I204 HydrophobicContact CD1-CG1 4.08Å; L135-I207 HydrophobicContact CB-CD1 4.24Å
136K92Very high86.5Confident32 Ų3229.9 Ų29.914%0.13916%0.164CC..  trans-156.1162.8179.665.8-161.4-173.9-145.60107.9D134 Q138 N139 S181 Y184D134-K136 PolarHBondContact O-N 2.68Å; D134-K136 IonicContact OD1-NZ 3.73Å; D134-K136 IonicContact OD2-NZ 2.67Å; D134-K136 PolarHBondContact OD2-NZ 3.22Å; K136-Q138 HydrophobicContact CG-CB 4.18Å; K136-Q138 PolarHBondContact O-N 3.17Å; K136-Q138 VanDerWaalsContact O-N 3.16Å; K136-N139 VanDerWaalsContact CE-CG 3.44Å; K136-N139 WeakPolarHBondContact CE-ND2 3.41Å; K136-N139 WeakPolarHBondContact CE-OD1 2.99Å; K136-N139 HydrophobicContact CG-CB 4.02Å; K136-N139 PolarHBondContact NZ-ND2 3.4Å; K136-N139 PolarHBondContact O-N 3.03Å; K136-S181 WeakPolarHBondContact CD-OG 3.24Å; K136-Y184 HydrophobicContact CB-CD1 4.35Å; K136-Y184 HydrophobicContact CB-CD2 3.67Å; K136-Y184 HydrophobicContact CB-CE2 3.87Å; K136-Y184 HydrophobicContact CB-CG 3.93Å
137P91.6Very high85.4Confident0 Ų033.3 Ų33.30%018%0.183CC..G310 helixtrans-57.2-33-178.5-25.736.3000113.4L96 A97 N139 I140 Y184 I207L96-P137 HydrophobicContact CB-CB 4.24Å; L96-P137 HydrophobicContact CG-CB 4.35Å; L96-P137 PolarHBondContact N-O 3.38Å; A97-P137 HydrophobicContact CB-CB 3.81Å; P137-N139 PolarHBondContact O-N 2.84Å; P137-I140 PolarHBondContact O-N 2.94Å; P137-I140 VanDerWaalsContact O-N 3.16Å; P137-Y184 VanDerWaalsContact CD-CZ 3.47Å; P137-Y184 HydrophobicContact CG-CE1 4.04Å; P137-I207 HydrophobicContact CG-CG1 4.18Å; P137-I207 HydrophobicContact CG-CG2 4.43Å
138Q89Confident84.6Confident78 Ų7832.1 Ų32.136%0.36417%0.169SC..G310 helixtrans-68.2-18.9176.7-59.777.413.200114.6D95 A97 K136D95-Q138 VanDerWaalsContact OD2-CA 3.3Å; D95-Q138 WeakPolarHBondContact OD2-CA 3.39Å; A97-Q138 HydrophobicContact CB-CG 3.79Å; A97-Q138 VanDerWaalsContact CB-NE2 3.25Å; K136-Q138 HydrophobicContact CG-CB 4.18Å; K136-Q138 PolarHBondContact O-N 3.17Å; K136-Q138 VanDerWaalsContact O-N 3.16Å
139N92Very high83.4Confident12 Ų1235 Ų356%0.06420%0.197CC..G310 helixtrans-100.312.5177-741.7000111.8D134 K136 P137 A161 D162D134-N139 PolarHBondContact O-ND2 3.25Å; D134-N139 PolarHBondContact OD2-ND2 3.41Å; K136-N139 VanDerWaalsContact CE-CG 3.44Å; K136-N139 WeakPolarHBondContact CE-ND2 3.41Å; K136-N139 WeakPolarHBondContact CE-OD1 2.99Å; K136-N139 HydrophobicContact CG-CB 4.02Å; K136-N139 PolarHBondContact NZ-ND2 3.4Å; K136-N139 PolarHBondContact O-N 3.03Å; P137-N139 PolarHBondContact O-N 2.84Å; N139-A161 PolarHBondContact O-N 3.12Å; N139-D162 PolarHBondContact ND2-OD2 2.95Å
140I91.9Very high82.4Confident1 Ų138.6 Ų38.61%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-116.7101.1171.4-65.3169.3000107.3D95 L96 I118 P137 L158 I207D95-I140 CarbonylContact C-O 3.5Å; D95-I140 WeakPolarHBondContact CA-O 3.46Å; L96-I140 HydrophobicContact CB-CB 4.05Å; L96-I140 HydrophobicContact CB-CG2 4.04Å; L96-I140 HydrophobicContact CD2-CB 4.28Å; L96-I140 HydrophobicContact CD2-CD1 4.03Å; L96-I140 HydrophobicContact CD2-CG2 4.03Å; L96-I140 PolarHBondContact N-O 3.38Å; I118-I140 HydrophobicContact CD1-CD1 3.82Å; I118-I140 HydrophobicContact CG1-CD1 4.28Å; P137-I140 PolarHBondContact O-N 2.94Å; P137-I140 VanDerWaalsContact O-N 3.16Å; I140-L158 HydrophobicContact CG2-CB 4.11Å; I140-L158 HydrophobicContact CG2-CD1 3.99Å; I140-L158 HydrophobicContact CG2-CD2 4.3Å; I140-L158 HydrophobicContact CG2-CG 4.35Å; I140-I207 HydrophobicContact CD1-CD1 3.91Å; I140-I207 HydrophobicContact CD1-CG2 4.21Å
141L92.5Very high81.9Confident14 Ų1439.5 Ų39.57%0.07322%0.217CC..EExtended strand (participates in β ladder)trans-85.4151.2179.1-54.6-176.6000110.4I15 V72 C91 G94 D95 L158 K159 A161I15-L141 HydrophobicContact CG2-CD1 4.16Å; I15-L141 HydrophobicContact CG2-CD2 4.19Å; V72-L141 HydrophobicContact CG2-CD1 4.14Å; C91-L141 HydrophobicContact CB-CB 3.5Å; C91-L141 HydrophobicContact CB-CD1 3.96Å; C91-L141 HydrophobicContact CB-CG 4.36Å; G94-L141 CarbonylContact O-C 3.44Å; G94-L141 WeakPolarHBondContact O-CA 3.4Å; D95-L141 HydrophobicContact CB-CD2 3.9Å; L141-L158 CarbonylContact O-C 3.52Å; L141-L158 WeakPolarHBondContact O-CA 3.41Å; L141-L158 WeakPolarHBondContact O-CB 3.08Å; L141-K159 PolarHBondContact N-O 3.16Å; L141-K159 PolarHBondContact O-N 2.88Å; L141-A161 HydrophobicContact CD1-CB 3.8Å; L141-A161 HydrophobicContact CG-CB 3.86Å
142L90.3Very high81.3Confident3 Ų345.2 Ų45.22%0.01624%0.243CC..EExtended strand (participates in β ladder)trans-110.1149.1179.7-55.2-177.9000110.8C91 N92 G93 G94 Y99 L114 I156 R157 L158C91-L142 CarbonylContact C-O 3.51Å; C91-L142 WeakPolarHBondContact CA-O 3.47Å; C91-L142 VanDerWaalsContact CB-O 3.3Å; C91-L142 WeakPolarHBondContact CB-O 3.37Å; N92-L142 PolarHBondContact N-O 3.23Å; G93-L142 VanDerWaalsContact CA-O 3.31Å; G93-L142 WeakPolarHBondContact CA-O 3.35Å; G93-L142 PolarHBondContact N-O 3.23Å; G94-L142 PolarHBondContact O-N 3.37Å; Y99-L142 HydrophobicContact CD1-CD1 4.14Å; Y99-L142 HydrophobicContact CD2-CD1 4.31Å; Y99-L142 HydrophobicContact CG-CD1 3.76Å; L114-L142 HydrophobicContact CD2-CD2 4.23Å; L142-I156 HydrophobicContact CB-CG2 4.12Å; L142-I156 HydrophobicContact CD1-CG2 4.23Å; L142-I156 HydrophobicContact CD2-CG2 3.96Å; L142-I156 HydrophobicContact CG-CG2 4.32Å; L142-R157 CarbonylContact C-O 3.12Å; L142-R157 WeakPolarHBondContact CA-O 3.4Å; L142-L158 HydrophobicContact CD2-CB 3.81Å
143C85.8Confident80.7Confident13 Ų1346.7 Ų46.79%0.08825%0.253CS..EExtended strand (participates in β ladder)trans-127.2128.2174.8-57.90000108.4N92 I156 R157 K159N92-C143 VanDerWaalsContact OD1-CA 3.26Å; N92-C143 WeakPolarHBondContact OD1-CA 3.36Å; C143-I156 WeakPolarHBondContact O-CA 3.49Å; C143-R157 HydrophobicContact CB-CB 4.17Å; C143-R157 PolarHBondContact N-O 2.75Å; C143-R157 PolarHBondContact O-N 2.76Å; C143-K159 VanDerWaalsContact SG-CE 3.56Å
144N81Confident80.3Confident17 Ų1753.3 Ų53.39%0.09129%0.285CS..EExtended strand (participates in β ladder)trans-102.4118-178.3174.7-0.7000109.8N92 T146 N147 N148N92-N144 PolarHBondContact ND2-O 2.69Å; N92-N144 PolarHBondContact OD1-N 3.16Å; N92-N144 PolarHBondContact OD1-O 2.81Å; N144-T146 VanDerWaalsContact C-N 3.32Å; N144-T146 PolarHBondContact O-N 3.1Å; N144-T146 PolarHBondContact OD1-N 3.05Å; N144-T146 PolarHBondContact OD1-OG1 3.04Å; N144-T146 VanDerWaalsContact OD1-OG1 3.12Å; N144-N147 PolarHBondContact OD1-N 3.15Å; N144-N148 PolarHBondContact ND2-N 2.75Å; N144-N148 PolarHBondContact ND2-O 3.07Å
145L77.3Confident80Confident114 Ų11455.8 Ų55.860%0.59730%0.296SS*.SBendtrans-74.7-16.3-177.2-66.9173.4000114.5E155 R157L145-E155 WeakPolarHBondContact CG-O 3.39Å; L145-E155 PolarHBondContact N-O 2.83Å; L145-R157 HydrophobicContact CD1-CG 4.07Å; L145-R157 HydrophobicContact CD2-CG 4.43Å; L145-R157 HydrophobicContact CG-CG 4.28Å
146T70.1Confident79.7Confident66 Ų6656 Ų5641%0.40530%0.297SS..SBendtrans-114.3-5.3-172.558.70000114.6N144 N148 E155N144-T146 VanDerWaalsContact C-N 3.32Å; N144-T146 PolarHBondContact O-N 3.1Å; N144-T146 PolarHBondContact OD1-N 3.05Å; N144-T146 PolarHBondContact OD1-OG1 3.04Å; N144-T146 VanDerWaalsContact OD1-OG1 3.12Å; T146-N148 PolarHBondContact O-N 3.37Å; T146-N148 WeakPolarHBondContact OG1-CB 3.36Å; T146-E155 HydrophobicContact CG2-CB 4.28Å; T146-E155 HydrophobicContact CG2-CG 3.93Å; T146-E155 WeakPolarHBondContact CG2-OE1 3.42Å; T146-E155 WeakPolarHBondContact CG2-OE2 3.11Å; T146-E155 PolarHBondContact OG1-OE2 2.73Å
147N64.6Low79.5Confident127 Ų12758.9 Ų58.968%0.67931%0.307SS*.  trans55.410.1-169.5-72.4-25000114.8N92 N144N92-N147 PolarHBondContact ND2-OD1 2.7Å; N144-N147 PolarHBondContact OD1-N 3.15Å
148N67Low79.6Confident66 Ų6658.9 Ų58.935%0.35331%0.307SS..  trans-66.8123.9172170.26.3000109.5N144 T146 N150 P151N144-N148 PolarHBondContact ND2-N 2.75Å; N144-N148 PolarHBondContact ND2-O 3.07Å; T146-N148 PolarHBondContact O-N 3.37Å; T146-N148 WeakPolarHBondContact OG1-CB 3.36Å; N148-N150 PolarHBondContact ND2-O 3.42Å; N148-N150 PolarHBondContact O-N 3.26Å; N148-N150 PolarHBondContact OD1-N 2.69Å; N148-N150 PolarHBondContact OD1-O 2.9Å; N148-P151 VanDerWaalsContact O-CD 3.3Å; N148-P151 WeakPolarHBondContact O-CD 3.41Å
149P57.8Low79.7Confident134 Ų13455.8 Ų55.887%0.8729%0.293SS*.SBendtrans-62.9-12.5-177.625.8-35.5000114.7
150N62.9Low79.7Confident101 Ų10155.2 Ų55.254%0.5429%0.29SS..SBendtrans-132.974.7172.2-174.536.6000109.1K103 N148K103-N150 PolarHBondContact NZ-OD1 2.76Å; N148-N150 PolarHBondContact ND2-O 3.42Å; N148-N150 PolarHBondContact O-N 3.26Å; N148-N150 PolarHBondContact OD1-N 2.69Å; N148-N150 PolarHBondContact OD1-O 2.9Å
151P73Confident79.6Confident20 Ų2055.8 Ų55.813%0.1329%0.294CS..  trans-72.1150.4-171.330.6-33.8000111.8N148 E155 I156N148-P151 VanDerWaalsContact O-CD 3.3Å; N148-P151 WeakPolarHBondContact O-CD 3.41Å; P151-E155 HydrophobicContact CB-CB 4.18Å; P151-I156 HydrophobicContact CB-CG1 4.32Å; P151-I156 HydrophobicContact CG-CD1 4.13Å; P151-I156 HydrophobicContact CG-CG1 3.88Å
152E72.9Confident79.1Confident123 Ų12356.9 Ų56.958%0.57530%0.3SS*.  trans-64.4145.8169.6-80.3-63.315300109.8Q154 E155E152-Q154 PolarHBondContact O-N 3Å; E152-E155 HydrophobicContact CB-CG 4.15Å; E152-E155 PolarHBondContact N-OE2 3.31Å; E152-E155 WeakPolarHBondContact O-CB 3.34Å; E152-E155 PolarHBondContact O-N 2.98Å
153P75.8Confident78.8Confident31 Ų3156.8 Ų56.820%0.20130%0.299CS..G310 helixtrans-52-35.9-175.2-3036.8000113.8T110 L113 E155 I156T110-P153 HydrophobicContact CG2-CB 4.28Å; L113-P153 VanDerWaalsContact CD2-C 3.46Å; L113-P153 HydrophobicContact CD2-CB 4.43Å; L113-P153 WeakPolarHBondContact CD2-O 3.33Å; P153-E155 PolarHBondContact O-N 3.12Å; P153-I156 WeakPolarHBondContact O-CB 3.5Å; P153-I156 PolarHBondContact O-N 2.75Å
154Q79.3Confident78.1Confident162 Ų16256.7 Ų56.776%0.75730%0.301SS*.G310 helixtrans-64.2-22.7179.6-57.3177.122.700113.7E152 I156E152-Q154 PolarHBondContact O-N 3Å; Q154-I156 VanDerWaalsContact C-N 3.34Å
155E82.1Confident77.6Confident55 Ų5558 Ų5826%0.25731%0.306SS..G310 helixtrans-86.6-8.5177.8-54.1178.4165.200112.1L145 T146 P151 E152 P153L145-E155 WeakPolarHBondContact CG-O 3.39Å; L145-E155 PolarHBondContact N-O 2.83Å; T146-E155 HydrophobicContact CG2-CB 4.28Å; T146-E155 HydrophobicContact CG2-CG 3.93Å; T146-E155 WeakPolarHBondContact CG2-OE1 3.42Å; T146-E155 WeakPolarHBondContact CG2-OE2 3.11Å; T146-E155 PolarHBondContact OG1-OE2 2.73Å; P151-E155 HydrophobicContact CB-CB 4.18Å; E152-E155 HydrophobicContact CB-CG 4.15Å; E152-E155 PolarHBondContact N-OE2 3.31Å; E152-E155 WeakPolarHBondContact O-CB 3.34Å; E152-E155 PolarHBondContact O-N 2.98Å; P153-E155 PolarHBondContact O-N 3.12Å
156I85.1Confident77.7Confident6 Ų652.6 Ų52.63%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-91.5109.5-179.6-51.6178.4000110.2Y99 L114 Q117 L142 C143 P151 P153 Q154Y99-I156 HydrophobicContact CE1-CD1 4.2Å; Y99-I156 HydrophobicContact CE2-CD1 3.91Å; L114-I156 HydrophobicContact CD2-CG2 4.36Å; Q117-I156 PolarHBondContact NE2-O 3.26Å; L142-I156 HydrophobicContact CB-CG2 4.12Å; L142-I156 HydrophobicContact CD1-CG2 4.23Å; L142-I156 HydrophobicContact CD2-CG2 3.96Å; L142-I156 HydrophobicContact CG-CG2 4.32Å; C143-I156 WeakPolarHBondContact O-CA 3.49Å; P151-I156 HydrophobicContact CB-CG1 4.32Å; P151-I156 HydrophobicContact CG-CD1 4.13Å; P151-I156 HydrophobicContact CG-CG1 3.88Å; P153-I156 WeakPolarHBondContact O-CB 3.5Å; P153-I156 PolarHBondContact O-N 2.75Å; Q154-I156 VanDerWaalsContact C-N 3.34Å
157R88.8Confident78Confident93 Ų9352.3 Ų52.335%0.35127%0.269SS..EExtended strand (participates in β ladder)trans-89.9157.9160.4-59.5-60.1174.6124.5-8.9110.2E69 L142 C143 L145E69-R157 VanDerWaalsContact CD-NH1 3.28Å; E69-R157 VanDerWaalsContact OE1-CD 3.29Å; E69-R157 WeakPolarHBondContact OE1-CD 3.43Å; E69-R157 IonicContact OE1-CZ 3.05Å; E69-R157 IonicContact OE1-NE 3.64Å; E69-R157 IonicContact OE1-NH1 2.67Å; E69-R157 PolarHBondContact OE1-NH1 2.79Å; E69-R157 IonicContact OE2-NH1 3.33Å; E69-R157 PolarHBondContact OE2-NH1 2.85Å; E69-R157 VanDerWaalsContact OE2-NH1 3.13Å; L142-R157 CarbonylContact C-O 3.12Å; L142-R157 WeakPolarHBondContact CA-O 3.4Å; C143-R157 HydrophobicContact CB-CB 4.17Å; C143-R157 PolarHBondContact N-O 2.75Å; C143-R157 PolarHBondContact O-N 2.76Å; L145-R157 HydrophobicContact CD1-CG 4.07Å; L145-R157 HydrophobicContact CD2-CG 4.43Å; L145-R157 HydrophobicContact CG-CG 4.28Å
158L92.1Very high78.6Confident0 Ų049.5 Ų49.50%025%0.251CS..EExtended strand (participates in β ladder)trans-129.9155.4172.873.488.6000112.5N70 L114 Q117 I118 I140 L141 L142N70-L158 VanDerWaalsContact CA-O 3.27Å; N70-L158 WeakPolarHBondContact CA-O 3.42Å; N70-L158 WeakPolarHBondContact CB-O 3.38Å; N70-L158 PolarHBondContact ND2-O 3.1Å; L114-L158 HydrophobicContact CB-CD2 3.82Å; L114-L158 HydrophobicContact CD2-CD2 3.58Å; L114-L158 HydrophobicContact CG-CD2 4.3Å; L114-L158 WeakPolarHBondContact O-CD2 3.29Å; Q117-L158 HydrophobicContact CB-CD1 4.08Å; Q117-L158 HydrophobicContact CB-CD2 3.76Å; Q117-L158 HydrophobicContact CB-CG 3.64Å; I118-L158 HydrophobicContact CG1-CD1 3.89Å; I118-L158 HydrophobicContact CG1-CD2 3.98Å; I140-L158 HydrophobicContact CG2-CB 4.11Å; I140-L158 HydrophobicContact CG2-CD1 3.99Å; I140-L158 HydrophobicContact CG2-CD2 4.3Å; I140-L158 HydrophobicContact CG2-CG 4.35Å; L141-L158 CarbonylContact O-C 3.52Å; L141-L158 WeakPolarHBondContact O-CA 3.41Å; L141-L158 WeakPolarHBondContact O-CB 3.08Å; L142-L158 HydrophobicContact CD2-CB 3.81Å
159K92.3Very high78.6Confident14 Ų1447.1 Ų47.16%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-136.2132.6177.4-67.3170.7-176.5-77.60110.9E69 N70 V72 E89 L141 C143E69-K159 WeakPolarHBondContact O-CG 3.18Å; E69-K159 PolarHBondContact O-NZ 2.81Å; N70-K159 WeakPolarHBondContact O-CA 2.99Å; V72-K159 HydrophobicContact CG2-CB 3.64Å; V72-K159 HydrophobicContact CG2-CD 4.47Å; E89-K159 WeakPolarHBondContact OE1-CE 3.17Å; E89-K159 IonicContact OE1-NZ 2.79Å; E89-K159 PolarHBondContact OE1-NZ 2.97Å; E89-K159 VanDerWaalsContact OE2-CE 3.32Å; E89-K159 WeakPolarHBondContact OE2-CE 3.44Å; E89-K159 IonicContact OE2-NZ 3.67Å; E89-K159 PolarHBondContact OE2-NZ 3.4Å; L141-K159 PolarHBondContact N-O 3.16Å; L141-K159 PolarHBondContact O-N 2.88Å; C143-K159 VanDerWaalsContact SG-CE 3.56Å
160I92.1Very high78.7Confident0 Ų047.9 Ų47.90%023%0.23CC..EExtended strand (participates in β ladder)trans-79.4135.9175.3-58.8-172000110N70 L71 V72 I118 A121 I122 I125 H132 L135 F163N70-I160 PolarHBondContact O-N 2.87Å; L71-I160 HydrophobicContact CD2-CB 4.21Å; V72-I160 PolarHBondContact N-O 2.83Å; V72-I160 VanDerWaalsContact N-O 3.11Å; I118-I160 HydrophobicContact CG2-CD1 4.42Å; A121-I160 HydrophobicContact CB-CD1 3.49Å; A121-I160 VanDerWaalsContact CB-CD1 3.49Å; A121-I160 HydrophobicContact CB-CG1 3.85Å; I122-I160 HydrophobicContact CD1-CD1 4Å; I122-I160 HydrophobicContact CG1-CD1 4.01Å; I125-I160 HydrophobicContact CD1-CD1 4.47Å; I125-I160 HydrophobicContact CD1-CG2 4.49Å; H132-I160 VanDerWaalsContact CD2-CG2 3.43Å; H132-I160 WeakPolarHBondContact CD2-CG2 3.25Å; H132-I160 VanDerWaalsContact NE2-CG2 3.25Å; H132-I160 WeakPolarHBondContact NE2-CG2 3.27Å; L135-I160 HydrophobicContact CD2-CD1 4.28Å; L135-I160 HydrophobicContact CD2-CG2 3.8Å; I160-F163 HydrophobicContact CG2-CZ 4.16Å
161A89Confident78.3Confident12 Ų1250.6 Ų50.610%0.09924%0.244CC..  trans-134.8171.7-171.500000113.5V72 H132 N139 L141V72-A161 HydrophobicContact CB-CB 4.47Å; V72-A161 HydrophobicContact CG2-CB 3.82Å; H132-A161 PolarHBondContact CE1-O 3.2Å; H132-A161 VanDerWaalsContact CE1-O 3.23Å; H132-A161 PolarHBondContact NE2-O 3.07Å; N139-A161 PolarHBondContact O-N 3.12Å; L141-A161 HydrophobicContact CD1-CB 3.8Å; L141-A161 HydrophobicContact CG-CB 3.86Å
162D82.6Confident77Confident37 Ų3753.5 Ų53.520%0.19828%0.278CS..  trans6173.5179.5-170.834.8000116.1K39 H132 N139 G164K39-D162 IonicContact NZ-OD1 2.75Å; K39-D162 PolarHBondContact NZ-OD1 3.23Å; H132-D162 PolarHBondContact CE1-O 3.19Å; N139-D162 PolarHBondContact ND2-OD2 2.95Å; D162-G164 PolarHBondContact O-N 2.73Å; D162-G164 PolarHBondContact OD1-N 2.8Å
163F83.7Confident75.6Confident1 Ų150.5 Ų50.50%0.00427%0.268CS..G310 helixtrans-83.216.5176-67.3-92.5000113E56 I59 L60 L63 L71 I125 H132 I160 F165 A166E56-F163 HydrophobicContact CG-CB 4.41Å; E56-F163 VanDerWaalsContact OE1-C 3.32Å; E56-F163 WeakPolarHBondContact OE1-CA 3.33Å; E56-F163 PolarHBondContact OE1-N 2.89Å; I59-F163 HydrophobicContact CG2-CB 3.85Å; I59-F163 HydrophobicContact CG2-CD1 3.69Å; I59-F163 HydrophobicContact CG2-CG 3.98Å; L60-F163 HydrophobicContact CD2-CB 4.29Å; L60-F163 HydrophobicContact CD2-CD2 3.56Å; L60-F163 HydrophobicContact CD2-CE2 4.27Å; L60-F163 HydrophobicContact CD2-CG 4.17Å; L60-F163 HydrophobicContact CG-CB 4.32Å; L60-F163 HydrophobicContact CG-CD2 4.47Å; L63-F163 HydrophobicContact CD1-CD1 3.67Å; L63-F163 HydrophobicContact CD1-CD2 4.45Å; L63-F163 HydrophobicContact CD1-CE1 3.3Å; L63-F163 HydrophobicContact CD1-CE2 4.15Å; L63-F163 HydrophobicContact CD1-CG 4.24Å; L63-F163 HydrophobicContact CD1-CZ 3.58Å; L71-F163 HydrophobicContact CD2-CZ 4.31Å; I125-F163 HydrophobicContact CD1-CE1 3.88Å; I125-F163 HydrophobicContact CD1-CZ 3.95Å; I125-F163 HydrophobicContact CG1-CE1 4.19Å; I125-F163 HydrophobicContact CG1-CZ 4.42Å; H132-F163 AromaticContact CD2-CE1 3.7Å; I160-F163 HydrophobicContact CG2-CZ 4.16Å; F163-F165 VanDerWaalsContact C-N 3.26Å; F163-F165 PolarHBondContact O-N 3.44Å; F163-A166 HydrophobicContact CB-CB 3.83Å; F163-A166 HydrophobicContact CD1-CB 3.74Å; F163-A166 HydrophobicContact CG-CB 4.28Å; F163-A166 VanDerWaalsContact O-CB 3.27Å; F163-A166 WeakPolarHBondContact O-CB 3.32Å; F163-A166 PolarHBondContact O-N 3.17Å
164G70.4Confident74Confident11 Ų1153.1 Ų53.111%0.11328%0.279CS..G310 helixtrans-59-34.5178.700000113.6E56 D162E56-G164 VanDerWaalsContact CD-N 3.33Å; E56-G164 PolarHBondContact OE1-N 3.39Å; E56-G164 VanDerWaalsContact OE1-N 3.07Å; D162-G164 PolarHBondContact O-N 2.73Å; D162-G164 PolarHBondContact OD1-N 2.8Å
165F70Confident72.4Confident45 Ų4545.5 Ų45.520%0.19724%0.243CC..G310 helixtrans-94.5-2172.2-63.9-68.6000114F20 L52 H132 R133 D134 F163 C179F20-F165 HydrophobicContact CE2-CZ 4.47Å; L52-F165 HydrophobicContact CD1-CE1 4.44Å; H132-F165 CarbonylContact O-C 3.5Å; R133-F165 PolarHBondContact NE-O 3.47Å; R133-F165 PolarHBondContact NH2-O 3.49Å; D134-F165 HydrophobicContact CB-CB 4.13Å; D134-F165 HydrophobicContact CB-CD2 3.74Å; D134-F165 HydrophobicContact CB-CG 4.28Å; F163-F165 VanDerWaalsContact C-N 3.26Å; F163-F165 PolarHBondContact O-N 3.44Å; F165-C179 HydrophobicContact CD1-CB 3.88Å; F165-C179 HydrophobicContact CG-CB 4.45Å
166A79.4Confident71Confident1 Ų145.6 Ų45.61%0.00825%0.253CS..  trans-67.4160-17800000112.2I59 I130 V131 H132 F163I59-A166 VanDerWaalsContact CD1-C 3.43Å; I59-A166 HydrophobicContact CD1-CB 3.65Å; I59-A166 HydrophobicContact CG2-CB 4.07Å; I130-A166 HydrophobicContact CG2-CB 4.29Å; V131-A166 CarbonylContact O-C 3.56Å; V131-A166 VanDerWaalsContact O-CA 3.22Å; V131-A166 WeakPolarHBondContact O-CA 3.49Å; H132-A166 WeakPolarHBondContact O-CA 3.15Å; H132-A166 PolarHBondContact O-N 3.45Å; F163-A166 HydrophobicContact CB-CB 3.83Å; F163-A166 HydrophobicContact CD1-CB 3.74Å; F163-A166 HydrophobicContact CG-CB 4.28Å; F163-A166 VanDerWaalsContact O-CB 3.27Å; F163-A166 WeakPolarHBondContact O-CB 3.32Å; F163-A166 PolarHBondContact O-N 3.17Å
167R76.4Confident69.8Low60 Ų6048.4 Ų48.423%0.22627%0.271CS..EExtended strand (participates in β ladder)trans-148.6150.3172.363.6174.4-70.3177.9-8.2111.6I130 V131 L169 A175I130-R167 CarbonylContact C-O 3.44Å; I130-R167 WeakPolarHBondContact CA-O 3.46Å; V131-R167 PolarHBondContact N-O 2.99Å; V131-R167 PolarHBondContact O-N 3.5Å; R167-L169 VanDerWaalsContact CZ-CD1 3.49Å; R167-L169 PolarHBondContact O-N 3.47Å; R167-A175 VanDerWaalsContact NH1-CB 3.28Å
168F77.9Confident68.7Low67 Ų6746.9 Ų46.929%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-63.5132153.7-61-81.3000109.2K58 I59 E62 G129 I130K58-F168 HydrophobicContact CB-CE2 4.43Å; K58-F168 HydrophobicContact CD-CE2 3.81Å; K58-F168 HydrophobicContact CD-CZ 4.35Å; K58-F168 HydrophobicContact CG-CE2 3.89Å; K58-F168 HydrophobicContact CG-CZ 4.21Å; I59-F168 HydrophobicContact CD1-CD2 4.43Å; I59-F168 HydrophobicContact CD1-CE2 4.31Å; I59-F168 HydrophobicContact CG1-CD2 4.04Å; I59-F168 HydrophobicContact CG1-CE2 3.46Å; I59-F168 VanDerWaalsContact CG1-CE2 3.46Å; I59-F168 HydrophobicContact CG1-CZ 3.82Å; E62-F168 HydrophobicContact CB-CZ 4.39Å; E62-F168 HydrophobicContact CG-CZ 4.09Å; G129-F168 CarbonylContact O-C 3.55Å; G129-F168 WeakPolarHBondContact O-CA 3.46Å; I130-F168 HydrophobicContact CD1-CD1 4.44Å; I130-F168 HydrophobicContact CD1-CE1 3.82Å; I130-F168 HydrophobicContact CD1-CZ 4.29Å; I130-F168 HydrophobicContact CG1-CD1 3.71Å; I130-F168 HydrophobicContact CG1-CE1 3.6Å; I130-F168 HydrophobicContact CG1-CZ 4.32Å
169L67.8Low67Low16 Ų1647.8 Ų47.88%0.08428%0.276CS..  trans-130.597.5174-165.574.3000107G129 V131 R167 V173 A175G129-L169 PolarHBondContact O-N 3.03Å; V131-L169 HydrophobicContact CG2-CB 3.68Å; V131-L169 HydrophobicContact CG2-CD2 3.76Å; V131-L169 HydrophobicContact CG2-CG 4.36Å; R167-L169 VanDerWaalsContact CZ-CD1 3.49Å; R167-L169 PolarHBondContact O-N 3.47Å; L169-V173 HydrophobicContact CD1-CB 4.47Å; L169-V173 HydrophobicContact CD1-CG1 4.31Å; L169-V173 WeakPolarHBondContact CD1-O 3.36Å; L169-V173 WeakPolarHBondContact CD2-O 3.38Å; L169-V173 WeakPolarHBondContact CG-O 3.49Å; L169-A175 HydrophobicContact CD1-CB 4.18Å
170Q59.7Low66.1Low151 Ų15148 Ų4871%0.70628%0.282SS*.  trans-59145.7175.3-68.4175-39.100110.3G172 V173Q170-G172 PolarHBondContact O-N 2.93Å; Q170-V173 HydrophobicContact CB-CB 4.44Å; Q170-V173 HydrophobicContact CB-CG2 3.88Å; Q170-V173 VanDerWaalsContact O-CB 3.31Å; Q170-V173 WeakPolarHBondContact O-CB 3.33Å; Q170-V173 PolarHBondContact O-N 3.11Å
171D53.4Low65.5Low157 Ų15749.4 Ų49.484%0.8429%0.292SS*.THydrogen-bonded Turntrans-49128.8178.4-66.3-38.5000111.8V173D171-V173 VanDerWaalsContact C-N 3.26Å; D171-V173 PolarHBondContact O-N 3.12Å
172G47.1Very low65.3Low82 Ų8251 Ų5185%0.84530%0.301SS*.THydrogen-bonded Turntrans77.9-6.3-177.700000116Q170Q170-G172 PolarHBondContact O-N 2.93Å
173V43.1Very low65.6Low59 Ų5953.2 Ų53.236%0.35831%0.311SS..PPolyproline II helixtrans-84.6130.1172-179.60000109.8L169 Q170 D171L169-V173 HydrophobicContact CD1-CB 4.47Å; L169-V173 HydrophobicContact CD1-CG1 4.31Å; L169-V173 WeakPolarHBondContact CD1-O 3.36Å; L169-V173 WeakPolarHBondContact CD2-O 3.38Å; L169-V173 WeakPolarHBondContact CG-O 3.49Å; Q170-V173 HydrophobicContact CB-CB 4.44Å; Q170-V173 HydrophobicContact CB-CG2 3.88Å; Q170-V173 VanDerWaalsContact O-CB 3.31Å; Q170-V173 WeakPolarHBondContact O-CB 3.33Å; Q170-V173 PolarHBondContact O-N 3.11Å; D171-V173 VanDerWaalsContact C-N 3.26Å; D171-V173 PolarHBondContact O-N 3.12Å
174M42.5Very low66Low87 Ų8753.8 Ų53.843%0.42931%0.313SS..PPolyproline II helixtrans-92.9150.6173-66.6-70.8173.300111.9Q194 C196M174-Q194 HydrophobicContact CB-CB 3.85Å; M174-Q194 HydrophobicContact CB-CG 4.16Å; M174-Q194 HydrophobicContact CG-CB 4.11Å; M174-C196 HydrophobicContact CE-CB 4.1Å; M174-C196 HydrophobicContact SD-CB 3.73Å
175A45.2Very low67Low1 Ų154.1 Ų54.11%0.00831%0.312CS..BIsolated β-bridgetrans-96.3154.7164.900000110.4R167 L169 Q194 Y195R167-A175 VanDerWaalsContact NH1-CB 3.28Å; L169-A175 HydrophobicContact CD1-CB 4.18Å; A175-Q194 CarbonylContact O-C 3.55Å; A175-Q194 VanDerWaalsContact O-CA 3.28Å; A175-Q194 WeakPolarHBondContact O-CA 3.21Å; A175-Y195 HydrophobicContact CB-CD1 4.28Å; A175-Y195 HydrophobicContact CB-CD2 3.83Å; A175-Y195 HydrophobicContact CB-CE1 3.93Å; A175-Y195 HydrophobicContact CB-CE2 3.42Å; A175-Y195 VanDerWaalsContact CB-CE2 3.42Å; A175-Y195 HydrophobicContact CB-CG 4.24Å; A175-Y195 VanDerWaalsContact CB-CZ 3.47Å; A175-Y195 PolarHBondContact N-O 3.48Å; A175-Y195 WeakPolarHBondContact O-CD1 3.36Å; A175-Y195 PolarHBondContact O-N 3.5Å
176A51.9Low68Low57 Ų5752 Ų5247%0.47130%0.303SS..  trans-144.315.517800000112.4Q194A176-Q194 HydrophobicContact CB-CG 4.31Å
177T59.5Low68.5Low66 Ų6652 Ų5241%0.40530%0.303SS..  trans-91.9121-179.5-42.60000109C179 Y195T177-C179 PolarHBondContact O-N 3.06Å; T177-C179 VanDerWaalsContact O-N 3.15Å; T177-Y195 WeakPolarHBondContact O-CE1 3.38Å; T177-Y195 PolarHBondContact O-OH 2.82Å
178L66.3Low69.1Low61 Ų6149.4 Ų49.432%0.31929%0.293SS..  trans-62.2112.3169.7-17466.7000108.8M185 V189L178-M185 HydrophobicContact CD1-CE 3.82Å; L178-M185 HydrophobicContact CD1-SD 3.67Å; L178-M185 HydrophobicContact CG-CE 4.31Å; L178-V189 WeakPolarHBondContact CD1-O 3.44Å
179C57.4Low69.6Low19 Ų1946.6 Ų46.613%0.12828%0.282CS..  trans-150.9157.3179-60.20000108.1R133 F165 T177R133-C179 PolarHBondContact NH1-SG 3.34Å; F165-C179 HydrophobicContact CD1-CB 3.88Å; F165-C179 HydrophobicContact CG-CB 4.45Å; T177-C179 PolarHBondContact O-N 3.06Å; T177-C179 VanDerWaalsContact O-N 3.15Å
180G71.7Confident70.5Confident18 Ų1846.2 Ų46.219%0.18628%0.28CS..SBendtrans97.9-178.9179.100000114R133 D134 M185R133-G180 WeakPolarHBondContact O-CA 3.13Å; D134-G180 WeakPolarHBondContact OD1-CA 3.49Å; G180-M185 WeakPolarHBondContact O-CE 3.4Å
181S80.2Confident71.7Confident30 Ų3040.3 Ų40.321%0.2125%0.253CS..  trans-95.1120.4-171.3-59.30000111.6D134 K136 M183 Y184 M185D134-S181 VanDerWaalsContact OD1-CB 3.32Å; D134-S181 WeakPolarHBondContact OD1-CB 3.21Å; D134-S181 PolarHBondContact OD1-N 2.64Å; D134-S181 PolarHBondContact OD1-OG 3.29Å; K136-S181 WeakPolarHBondContact CD-OG 3.24Å; S181-M183 PolarHBondContact O-N 3.45Å; S181-Y184 PolarHBondContact O-N 3.42Å; S181-M185 PolarHBondContact O-N 3.34Å
182P85.1Confident72.9Confident46 Ų4635.2 Ų35.230%0.29923%0.229SC..THydrogen-bonded Turntrans-52.9-36-162.3-33.536.9000118.2Y184 M185 I190 P223 L226P182-Y184 VanDerWaalsContact C-N 3.29Å; P182-Y184 PolarHBondContact O-N 3.39Å; P182-M185 HydrophobicContact CG-CE 4.25Å; P182-I190 HydrophobicContact CB-CD1 4.41Å; P182-P223 HydrophobicContact CB-CB 3.99Å; P182-P223 HydrophobicContact CB-CG 4.1Å; P182-P223 HydrophobicContact CG-CB 4Å; P182-P223 HydrophobicContact CG-CG 3.85Å; P182-L226 VanDerWaalsContact O-CD2 3.26Å; P182-L226 WeakPolarHBondContact O-CD2 3.44Å
183M87.9Confident74.4Confident83 Ų8335.5 Ų35.541%0.40921%0.211SC..THydrogen-bonded Turntrans-69.9-24.9178.3-65.1-172.8-66.600113.5S181 A216S181-M183 PolarHBondContact O-N 3.45Å; M183-A216 HydrophobicContact CB-CB 4.27Å; M183-A216 HydrophobicContact SD-CB 4.37Å
184Y93Very high75.8Confident12 Ų1239.3 Ų39.35%0.04723%0.225CC..THydrogen-bonded Turntrans-103.6-11.1-178.1-48.2-83.4000112.6L135 K136 P137 S181 P182 A186 S203 T206 I207 Q210L135-Y184 WeakPolarHBondContact O-CB 3.15Å; K136-Y184 HydrophobicContact CB-CD1 4.35Å; K136-Y184 HydrophobicContact CB-CD2 3.67Å; K136-Y184 HydrophobicContact CB-CE2 3.87Å; K136-Y184 HydrophobicContact CB-CG 3.93Å; P137-Y184 VanDerWaalsContact CD-CZ 3.47Å; P137-Y184 HydrophobicContact CG-CE1 4.04Å; S181-Y184 PolarHBondContact O-N 3.42Å; P182-Y184 VanDerWaalsContact C-N 3.29Å; P182-Y184 PolarHBondContact O-N 3.39Å; Y184-A186 PolarHBondContact O-N 3.39Å; Y184-S203 PolarHBondContact O-OG 3.4Å; Y184-T206 WeakPolarHBondContact CD1-OG1 3.43Å; Y184-I207 HydrophobicContact CD1-CG1 4.3Å; Y184-Q210 VanDerWaalsContact CE1-OE1 3.32Å; Y184-Q210 PolarHBondContact OH-OE1 2.81Å
185M91.1Very high77.2Confident18 Ų1835.3 Ų35.39%0.08921%0.205CC..SBendtrans-58.6134.1171.5-74.5-170.4-167.400111.1L178 G180 S181 P182 V189 I190 W202L178-M185 HydrophobicContact CD1-CE 3.82Å; L178-M185 HydrophobicContact CD1-SD 3.67Å; L178-M185 HydrophobicContact CG-CE 4.31Å; G180-M185 WeakPolarHBondContact O-CE 3.4Å; S181-M185 PolarHBondContact O-N 3.34Å; P182-M185 HydrophobicContact CG-CE 4.25Å; M185-V189 HydrophobicContact CB-CB 4.38Å; M185-V189 HydrophobicContact CB-CG1 4.48Å; M185-V189 HydrophobicContact CG-CG1 4.18Å; M185-V189 HydrophobicContact SD-CG1 4.04Å; M185-I190 HydrophobicContact CB-CB 4.12Å; M185-I190 HydrophobicContact SD-CB 3.7Å; M185-I190 HydrophobicContact SD-CD1 4.48Å; M185-I190 HydrophobicContact SD-CG1 4Å; M185-W202 PolarHBondContact O-NE1 2.83Å; M185-W202 VanDerWaalsContact O-NE1 3.13Å
186A92.1Very high78.8Confident1 Ų136.7 Ų36.71%0.00821%0.214CC..  trans-64.7149.9168.500000111.4Y184 E188 V189 I190 A199 W202Y184-A186 PolarHBondContact O-N 3.39Å; A186-E188 VanDerWaalsContact CB-CD 3.42Å; A186-E188 HydrophobicContact CB-CG 4.42Å; A186-E188 VanDerWaalsContact CB-OE1 3.29Å; A186-E188 WeakPolarHBondContact CB-OE1 3.25Å; A186-E188 WeakPolarHBondContact CB-OE2 3.33Å; A186-E188 PolarHBondContact O-N 2.86Å; A186-E188 VanDerWaalsContact O-N 3.15Å; A186-V189 HydrophobicContact CB-CG2 4.15Å; A186-V189 WeakPolarHBondContact O-CA 3.46Å; A186-V189 WeakPolarHBondContact O-CB 3.49Å; A186-V189 PolarHBondContact O-N 3.33Å; A186-I190 PolarHBondContact O-N 2.89Å; A186-A199 HydrophobicContact CB-CB 4.2Å; A186-W202 HydrophobicContact CB-CB 3.7Å; A186-W202 HydrophobicContact CB-CD2 4.3Å; A186-W202 HydrophobicContact CB-CG 3.65Å
187P90Very high80.4Confident0 Ų034.7 Ų34.70%020%0.198CC..Hα-helixtrans-54.6-38.1-177.2-30.439000112.7V189 M191 W202 Y230 L236 R258P187-V189 VanDerWaalsContact C-N 3.33Å; P187-V189 PolarHBondContact O-N 2.66Å; P187-M191 HydrophobicContact CB-CE 3.76Å; P187-M191 WeakPolarHBondContact O-CB 3.32Å; P187-M191 VanDerWaalsContact O-CE 3.22Å; P187-M191 WeakPolarHBondContact O-CE 3.27Å; P187-M191 VanDerWaalsContact O-CG 3.22Å; P187-M191 WeakPolarHBondContact O-CG 3.3Å; P187-M191 PolarHBondContact O-N 3.47Å; P187-W202 HydrophobicContact CG-CD2 4.45Å; P187-W202 HydrophobicContact CG-CE3 4.21Å; P187-W202 HydrophobicContact CG-CH2 3.53Å; P187-W202 HydrophobicContact CG-CZ2 3.79Å; P187-W202 HydrophobicContact CG-CZ3 3.74Å; P187-Y230 HydrophobicContact CB-CD2 4.19Å; P187-Y230 HydrophobicContact CB-CG 4.11Å; P187-Y230 HydrophobicContact CG-CD1 4.23Å; P187-Y230 HydrophobicContact CG-CD2 4.31Å; P187-Y230 HydrophobicContact CG-CE1 4.33Å; P187-Y230 HydrophobicContact CG-CE2 4.39Å; P187-Y230 HydrophobicContact CG-CG 4.21Å; P187-L236 HydrophobicContact CG-CD1 3.85Å; P187-R258 HydrophobicContact CB-CG 4Å; P187-R258 HydrophobicContact CG-CG 4.15Å
188E88.4Confident81.9Confident6 Ų633.2 Ų33.23%0.02819%0.185CC..Hα-helixtrans-65.5-29.9175.468.5-83.9-165.500114A186 S192 L193 V260 R263A186-E188 VanDerWaalsContact CB-CD 3.42Å; A186-E188 HydrophobicContact CB-CG 4.42Å; A186-E188 VanDerWaalsContact CB-OE1 3.29Å; A186-E188 WeakPolarHBondContact CB-OE1 3.25Å; A186-E188 WeakPolarHBondContact CB-OE2 3.33Å; A186-E188 PolarHBondContact O-N 2.86Å; A186-E188 VanDerWaalsContact O-N 3.15Å; E188-S192 PolarHBondContact O-N 3.46Å; E188-L193 HydrophobicContact CB-CB 4.16Å; E188-L193 HydrophobicContact CB-CD1 4.4Å; E188-L193 WeakPolarHBondContact O-CA 3.3Å; E188-L193 WeakPolarHBondContact O-CB 3.39Å; E188-L193 PolarHBondContact O-N 3.07Å; E188-V260 HydrophobicContact CB-CG2 4.07Å; E188-V260 VanDerWaalsContact CD-CG2 3.4Å; E188-V260 HydrophobicContact CG-CG2 3.72Å; E188-R263 IonicContact OE1-CZ 3.76Å; E188-R263 IonicContact OE1-NH1 3.6Å; E188-R263 PolarHBondContact OE1-NH1 3.41Å; E188-R263 IonicContact OE1-NH2 3.7Å; E188-R263 PolarHBondContact OE1-NH2 3.22Å; E188-R263 IonicContact OE2-CZ 3.58Å; E188-R263 IonicContact OE2-NH1 3.67Å; E188-R263 IonicContact OE2-NH2 3.52Å; E188-R263 PolarHBondContact OE2-NH2 2.94Å
189V87Confident83Confident9 Ų930.5 Ų30.56%0.05517%0.172CC..Hα-helixtrans-73.6-51.7178.1-179.60000110L178 M185 A186 P187 S192 Y195 A199L178-V189 WeakPolarHBondContact CD1-O 3.44Å; M185-V189 HydrophobicContact CB-CB 4.38Å; M185-V189 HydrophobicContact CB-CG1 4.48Å; M185-V189 HydrophobicContact CG-CG1 4.18Å; M185-V189 HydrophobicContact SD-CG1 4.04Å; A186-V189 HydrophobicContact CB-CG2 4.15Å; A186-V189 WeakPolarHBondContact O-CA 3.46Å; A186-V189 WeakPolarHBondContact O-CB 3.49Å; A186-V189 PolarHBondContact O-N 3.33Å; P187-V189 VanDerWaalsContact C-N 3.33Å; P187-V189 PolarHBondContact O-N 2.66Å; V189-S192 WeakPolarHBondContact O-CA 3.5Å; V189-S192 PolarHBondContact O-N 3.08Å; V189-Y195 HydrophobicContact CB-CD1 4.43Å; V189-Y195 HydrophobicContact CG1-CE1 4.22Å; V189-Y195 HydrophobicContact CG2-CD1 3.83Å; V189-Y195 HydrophobicContact CG2-CD2 3.97Å; V189-Y195 HydrophobicContact CG2-CE1 4.11Å; V189-Y195 HydrophobicContact CG2-CE2 4.25Å; V189-Y195 HydrophobicContact CG2-CG 3.75Å; V189-A199 HydrophobicContact CG2-CB 3.93Å
190I87.4Confident84.7Confident8 Ų829.8 Ų29.84%0.04117%0.167CC..Hα-helixtrans-72.5-32.8-177-166.5175.2000112.7P182 M185 A186 S192 L226 K227 Y230P182-I190 HydrophobicContact CB-CD1 4.41Å; M185-I190 HydrophobicContact CB-CB 4.12Å; M185-I190 HydrophobicContact SD-CB 3.7Å; M185-I190 HydrophobicContact SD-CD1 4.48Å; M185-I190 HydrophobicContact SD-CG1 4Å; A186-I190 PolarHBondContact O-N 2.89Å; I190-S192 PolarHBondContact O-N 2.86Å; I190-S192 VanDerWaalsContact O-N 3.15Å; I190-L226 HydrophobicContact CD1-CB 4.26Å; I190-L226 HydrophobicContact CD1-CD2 4.21Å; I190-L226 HydrophobicContact CD1-CG 4.23Å; I190-K227 HydrophobicContact CD1-CB 4.36Å; I190-K227 HydrophobicContact CG1-CB 4.18Å; I190-K227 WeakPolarHBondContact O-CD 3.3Å; I190-Y230 HydrophobicContact CG2-CD2 3.47Å; I190-Y230 VanDerWaalsContact CG2-CD2 3.47Å; I190-Y230 HydrophobicContact CG2-CE2 3.8Å
191M85.2Confident85.8Confident27 Ų2728.9 Ų28.913%0.13316%0.158CC..THydrogen-bonded Turntrans-68.9-2.5167.3-68.3-173.3-69.900113.1P187 L193 E231P187-M191 HydrophobicContact CB-CE 3.76Å; P187-M191 WeakPolarHBondContact O-CB 3.32Å; P187-M191 VanDerWaalsContact O-CE 3.22Å; P187-M191 WeakPolarHBondContact O-CE 3.27Å; P187-M191 VanDerWaalsContact O-CG 3.22Å; P187-M191 WeakPolarHBondContact O-CG 3.3Å; P187-M191 PolarHBondContact O-N 3.47Å; M191-L193 VanDerWaalsContact C-N 3.29Å; M191-L193 HydrophobicContact CB-CD1 4.22Å; M191-L193 HydrophobicContact CB-CG 3.93Å; M191-L193 HydrophobicContact CE-CD1 3.99Å; M191-L193 PolarHBondContact O-N 3.26Å; M191-E231 HydrophobicContact CG-CG 3.87Å; M191-E231 HydrophobicContact SD-CG 3.76Å
192S78.8Confident86.5Confident49 Ų4927.5 Ų27.534%0.34315%0.148SC..THydrogen-bonded Turntrans62.931.7-179.9-43.90000113.8E188 V189 I190E188-S192 PolarHBondContact O-N 3.46Å; V189-S192 WeakPolarHBondContact O-CA 3.5Å; V189-S192 PolarHBondContact O-N 3.08Å; I190-S192 PolarHBondContact O-N 2.86Å; I190-S192 VanDerWaalsContact O-N 3.15Å
193L77.6Confident87Confident89 Ų8925.6 Ų25.647%0.46614%0.136SC..  trans-84.4178.2175-54.5-179.9000111E188 M191E188-L193 HydrophobicContact CB-CB 4.16Å; E188-L193 HydrophobicContact CB-CD1 4.4Å; E188-L193 WeakPolarHBondContact O-CA 3.3Å; E188-L193 WeakPolarHBondContact O-CB 3.39Å; E188-L193 PolarHBondContact O-N 3.07Å; M191-L193 VanDerWaalsContact C-N 3.29Å; M191-L193 HydrophobicContact CB-CD1 4.22Å; M191-L193 HydrophobicContact CB-CG 3.93Å; M191-L193 HydrophobicContact CE-CD1 3.99Å; M191-L193 PolarHBondContact O-N 3.26Å
194Q73.2Confident87.4Confident138 Ų13821.8 Ų21.865%0.64512%0.117SC*.  trans-77.9130.6170.2-76.5-177.442.600110.9M174 A175 A176M174-Q194 HydrophobicContact CB-CB 3.85Å; M174-Q194 HydrophobicContact CB-CG 4.16Å; M174-Q194 HydrophobicContact CG-CB 4.11Å; A175-Q194 CarbonylContact O-C 3.55Å; A175-Q194 VanDerWaalsContact O-CA 3.28Å; A175-Q194 WeakPolarHBondContact O-CA 3.21Å; A176-Q194 HydrophobicContact CB-CG 4.31Å
195Y71.2Confident87.5Confident3 Ų321.2 Ų21.21%0.01212%0.115CC..BIsolated β-bridgetrans-132.3149.7-176.365-94000112.7R133 A175 T177 V189 A199R133-Y195 WeakPolarHBondContact CD-OH 3.24Å; R133-Y195 HydrophobicContact CG-CE2 4.21Å; R133-Y195 PolarHBondContact NH1-OH 3.01Å; A175-Y195 HydrophobicContact CB-CD1 4.28Å; A175-Y195 HydrophobicContact CB-CD2 3.83Å; A175-Y195 HydrophobicContact CB-CE1 3.93Å; A175-Y195 HydrophobicContact CB-CE2 3.42Å; A175-Y195 VanDerWaalsContact CB-CE2 3.42Å; A175-Y195 HydrophobicContact CB-CG 4.24Å; A175-Y195 VanDerWaalsContact CB-CZ 3.47Å; A175-Y195 PolarHBondContact N-O 3.48Å; A175-Y195 WeakPolarHBondContact O-CD1 3.36Å; A175-Y195 PolarHBondContact O-N 3.5Å; T177-Y195 WeakPolarHBondContact O-CE1 3.38Å; T177-Y195 PolarHBondContact O-OH 2.82Å; V189-Y195 HydrophobicContact CB-CD1 4.43Å; V189-Y195 HydrophobicContact CG1-CE1 4.22Å; V189-Y195 HydrophobicContact CG2-CD1 3.83Å; V189-Y195 HydrophobicContact CG2-CD2 3.97Å; V189-Y195 HydrophobicContact CG2-CE1 4.11Å; V189-Y195 HydrophobicContact CG2-CE2 4.25Å; V189-Y195 HydrophobicContact CG2-CG 3.75Å; Y195-A199 HydrophobicContact CD2-CB 4.01Å
196C79.8Confident87.7Confident30 Ų3020.3 Ų20.320%0.20311%0.111CC..  trans-111.4-171.1176.665.50000111.1M174 K198 A199M174-C196 HydrophobicContact CE-CB 4.1Å; M174-C196 HydrophobicContact SD-CB 3.73Å; C196-K198 PolarHBondContact O-N 3.03Å; C196-K198 VanDerWaalsContact O-N 3.11Å; C196-A199 WeakPolarHBondContact O-CB 3.44Å; C196-A199 PolarHBondContact O-N 3.09Å; C196-A199 VanDerWaalsContact O-N 3.1Å
197A84.7Confident87.8Confident15 Ų1520.4 Ų20.412%0.12411%0.111CC..THydrogen-bonded Turntrans-54.1-27.3176.300000114V131 A199 D200 F266V131-A197 HydrophobicContact CG2-CB 3.58Å; A197-A199 PolarHBondContact O-N 2.88Å; A197-D200 PolarHBondContact O-N 2.86Å; A197-F266 HydrophobicContact CB-CE2 3.52Å; A197-F266 HydrophobicContact CB-CZ 3.65Å; A197-F266 WeakPolarHBondContact O-CZ 2.93Å
198K90.8Very high88.1Confident35 Ų3520.6 Ų20.615%0.15211%0.112CC..Hα-helixtrans-59.8-9.9175.2-65.5-162.4176.4-1590114.7C196 D200 L201 W202 V260 R263 I264C196-K198 PolarHBondContact O-N 3.03Å; C196-K198 VanDerWaalsContact O-N 3.11Å; K198-D200 VanDerWaalsContact C-N 3.31Å; K198-L201 HydrophobicContact CB-CD1 4.48Å; K198-L201 HydrophobicContact CG-CD1 4.2Å; K198-L201 PolarHBondContact O-N 3.39Å; K198-W202 PolarHBondContact O-N 3.36Å; K198-V260 HydrophobicContact CB-CG1 4.1Å; K198-V260 HydrophobicContact CD-CG1 4.28Å; K198-V260 WeakPolarHBondContact CD-O 3.2Å; K198-R263 PolarHBondContact NZ-O 3.34Å; K198-R263 WeakPolarHBondContact O-CD 3.09Å; K198-R263 PolarHBondContact O-NH1 2.91Å; K198-I264 WeakPolarHBondContact CD-O 3.26Å; K198-I264 WeakPolarHBondContact CE-O 3.44Å; K198-I264 PolarHBondContact NZ-O 3.4Å
199A91.3Very high88.4Confident4 Ų420.8 Ų20.83%0.03311%0.113CC..Hα-helixtrans-62.5-37.8169.200000111.9A186 V189 Y195 C196 A197 L201 W202 S203A186-A199 HydrophobicContact CB-CB 4.2Å; V189-A199 HydrophobicContact CG2-CB 3.93Å; Y195-A199 HydrophobicContact CD2-CB 4.01Å; C196-A199 WeakPolarHBondContact O-CB 3.44Å; C196-A199 PolarHBondContact O-N 3.09Å; C196-A199 VanDerWaalsContact O-N 3.1Å; A197-A199 PolarHBondContact O-N 2.88Å; A199-L201 VanDerWaalsContact C-N 3.33Å; A199-L201 PolarHBondContact O-N 2.84Å; A199-W202 WeakPolarHBondContact O-CB 2.9Å; A199-W202 PolarHBondContact O-N 2.89Å; A199-S203 PolarHBondContact O-N 3.05Å; A199-S203 PolarHBondContact O-OG 3.31Å
200D93Very high88.7Confident4 Ų421.7 Ų21.72%0.02112%0.116CC..Hα-helixtrans-67-35177.4-70.8-10.7000111.2V131 H132 R133 L135 A197 K198 W202 S203 I204V131-D200 VanDerWaalsContact CG1-OD2 3.25Å; V131-D200 WeakPolarHBondContact CG1-OD2 2.92Å; H132-D200 PolarHBondContact N-OD2 3.02Å; R133-D200 PolarHBondContact N-OD1 3.41Å; L135-D200 HydrophobicContact CD1-CB 3.67Å; A197-D200 PolarHBondContact O-N 2.86Å; K198-D200 VanDerWaalsContact C-N 3.31Å; D200-W202 VanDerWaalsContact C-N 3.34Å; D200-W202 PolarHBondContact O-N 3.22Å; D200-S203 WeakPolarHBondContact O-CB 3.27Å; D200-S203 PolarHBondContact O-N 3.29Å; D200-S203 VanDerWaalsContact O-N 3.16Å; D200-I204 WeakPolarHBondContact O-CG1 2.98Å; D200-I204 PolarHBondContact O-N 3.32Å
201L94.7Very high89Confident0 Ų021.6 Ų21.60%012%0.116CC..Hα-helixtrans-63.7-36.1174.5-64.3176.1000112.5K198 A199 I204 G205 L255 I264 F266 F269K198-L201 HydrophobicContact CB-CD1 4.48Å; K198-L201 HydrophobicContact CG-CD1 4.2Å; K198-L201 PolarHBondContact O-N 3.39Å; A199-L201 VanDerWaalsContact C-N 3.33Å; A199-L201 PolarHBondContact O-N 2.84Å; L201-I204 HydrophobicContact CD2-CD1 4.27Å; L201-I204 PolarHBondContact O-N 3.4Å; L201-G205 PolarHBondContact O-N 3.07Å; L201-L255 HydrophobicContact CB-CD2 4.06Å; L201-L255 HydrophobicContact CD2-CD2 4.5Å; L201-L255 WeakPolarHBondContact O-CD2 3.25Å; L201-I264 HydrophobicContact CD1-CG2 4.26Å; L201-I264 VanDerWaalsContact CD1-O 3.31Å; L201-I264 WeakPolarHBondContact CD1-O 3.47Å; L201-F266 HydrophobicContact CD1-CD1 4.19Å; L201-F266 HydrophobicContact CD1-CD2 4.09Å; L201-F266 HydrophobicContact CD1-CE1 4.14Å; L201-F266 HydrophobicContact CD1-CE2 4.02Å; L201-F266 HydrophobicContact CD1-CG 4.17Å; L201-F266 HydrophobicContact CD1-CZ 4.05Å; L201-F266 HydrophobicContact CD2-CD1 3.84Å; L201-F266 HydrophobicContact CD2-CE1 3.71Å; L201-F266 HydrophobicContact CD2-CZ 4.33Å; L201-F266 HydrophobicContact CG-CD1 4.19Å; L201-F266 HydrophobicContact CG-CE1 3.79Å; L201-F266 HydrophobicContact CG-CE2 4.36Å; L201-F266 HydrophobicContact CG-CZ 3.88Å; L201-F269 HydrophobicContact CD2-CB 4.23Å; L201-F269 HydrophobicContact CD2-CD1 3.68Å; L201-F269 HydrophobicContact CD2-CE1 4.18Å; L201-F269 HydrophobicContact CD2-CG 3.92Å
202W94.6Very high89.4Confident0 Ų021.4 Ų21.40%012%0.116CC..Hα-helixtrans-64.7-44.3171.1170.3-78.1000111.4M185 A186 P187 K198 A199 D200 I204 G205 T206 F218 Y230 L236 L256M185-W202 PolarHBondContact O-NE1 2.83Å; M185-W202 VanDerWaalsContact O-NE1 3.13Å; A186-W202 HydrophobicContact CB-CB 3.7Å; A186-W202 HydrophobicContact CB-CD2 4.3Å; A186-W202 HydrophobicContact CB-CG 3.65Å; P187-W202 HydrophobicContact CG-CD2 4.45Å; P187-W202 HydrophobicContact CG-CE3 4.21Å; P187-W202 HydrophobicContact CG-CH2 3.53Å; P187-W202 HydrophobicContact CG-CZ2 3.79Å; P187-W202 HydrophobicContact CG-CZ3 3.74Å; K198-W202 PolarHBondContact O-N 3.36Å; A199-W202 WeakPolarHBondContact O-CB 2.9Å; A199-W202 PolarHBondContact O-N 2.89Å; D200-W202 VanDerWaalsContact C-N 3.34Å; D200-W202 PolarHBondContact O-N 3.22Å; W202-I204 VanDerWaalsContact C-N 3.28Å; W202-I204 PolarHBondContact O-N 2.89Å; W202-G205 CarbonylContact O-C 3.34Å; W202-G205 WeakPolarHBondContact O-CA 3.22Å; W202-G205 PolarHBondContact O-N 2.61Å; W202-T206 HydrophobicContact CZ2-CG2 4.41Å; W202-T206 VanDerWaalsContact NE1-CG2 3.34Å; W202-T206 PolarHBondContact O-N 3.12Å; W202-F218 HydrophobicContact CH2-CD2 4Å; W202-F218 AromaticContact CH2-CE2 3.5Å; W202-F218 HydrophobicContact CH2-CE2 3.5Å; W202-F218 VanDerWaalsContact CH2-CE2 3.5Å; W202-F218 HydrophobicContact CH2-CZ 4.43Å; W202-F218 AromaticContact CZ2-CD2 3.79Å; W202-F218 HydrophobicContact CZ2-CD2 3.79Å; W202-F218 AromaticContact CZ2-CE2 3.7Å; W202-F218 HydrophobicContact CZ2-CE2 3.7Å; W202-Y230 HydrophobicContact CH2-CE1 4.44Å; W202-Y230 HydrophobicContact CZ2-CE1 4.22Å; W202-L236 HydrophobicContact CH2-CD1 3.67Å; W202-L236 HydrophobicContact CZ3-CD1 4.3Å; W202-L256 HydrophobicContact CD2-CD2 4.07Å; W202-L256 HydrophobicContact CE3-CD2 4.22Å; W202-L256 HydrophobicContact CH2-CD2 4.36Å; W202-L256 HydrophobicContact CZ2-CD2 4.21Å; W202-L256 HydrophobicContact CZ3-CB 4.35Å; W202-L256 HydrophobicContact CZ3-CD2 4.37Å; W202-L256 VanDerWaalsContact CZ3-O 3.25Å; W202-L256 WeakPolarHBondContact CZ3-O 3.42Å
203S95Very high90Very high7 Ų720.8 Ų20.85%0.04911%0.11CC..Hα-helixtrans-58.3-42177.4-57.90000111.5L135 Y184 A199 D200 G205 T206 I207L135-S203 WeakPolarHBondContact O-CB 3.1Å; Y184-S203 PolarHBondContact O-OG 3.4Å; A199-S203 PolarHBondContact O-N 3.05Å; A199-S203 PolarHBondContact O-OG 3.31Å; D200-S203 WeakPolarHBondContact O-CB 3.27Å; D200-S203 PolarHBondContact O-N 3.29Å; D200-S203 VanDerWaalsContact O-N 3.16Å; S203-G205 VanDerWaalsContact C-N 3.35Å; S203-G205 PolarHBondContact O-N 3.17Å; S203-T206 PolarHBondContact O-N 3.22Å; S203-T206 PolarHBondContact O-OG1 3.18Å; S203-I207 WeakPolarHBondContact O-CD1 3.06Å; S203-I207 VanDerWaalsContact O-CG1 3.28Å; S203-I207 WeakPolarHBondContact O-CG1 3.09Å; S203-I207 PolarHBondContact O-N 3.08Å
204I95.9Very high90.5Very high2 Ų218.1 Ų18.11%0.0110%0.104CC..Hα-helixtrans-59.8-44.4172.2-65.5163.9000111.1L115 I118 I122 L135 D200 L201 W202 T206 I207 V208 L255 F269L115-I204 HydrophobicContact CD1-CG2 3.48Å; L115-I204 VanDerWaalsContact CD1-CG2 3.48Å; I118-I204 HydrophobicContact CG2-CD1 4Å; I118-I204 HydrophobicContact CG2-CG1 4.02Å; I118-I204 HydrophobicContact CG2-CG2 4.39Å; I122-I204 HydrophobicContact CD1-CD1 4.02Å; I122-I204 HydrophobicContact CG1-CD1 3.78Å; I122-I204 HydrophobicContact CG2-CD1 4.37Å; L135-I204 HydrophobicContact CD1-CD1 4.35Å; L135-I204 HydrophobicContact CD1-CG1 4.08Å; D200-I204 WeakPolarHBondContact O-CG1 2.98Å; D200-I204 PolarHBondContact O-N 3.32Å; L201-I204 HydrophobicContact CD2-CD1 4.27Å; L201-I204 PolarHBondContact O-N 3.4Å; W202-I204 VanDerWaalsContact C-N 3.28Å; W202-I204 PolarHBondContact O-N 2.89Å; I204-T206 VanDerWaalsContact C-N 3.32Å; I204-T206 PolarHBondContact O-N 2.75Å; I204-I207 PolarHBondContact O-N 3.39Å; I204-V208 HydrophobicContact CG2-CG2 4.29Å; I204-V208 VanDerWaalsContact O-CG2 3.32Å; I204-V208 WeakPolarHBondContact O-CG2 3.38Å; I204-V208 PolarHBondContact O-N 2.67Å; I204-L255 HydrophobicContact CG2-CD1 4.38Å; I204-F269 HydrophobicContact CD1-CE1 4.36Å; I204-F269 HydrophobicContact CD1-CZ 4.33Å; I204-F269 HydrophobicContact CG2-CE2 4.23Å; I204-F269 HydrophobicContact CG2-CZ 4.04Å
205G95Very high91.3Very high0 Ų017.8 Ų17.80%010%0.1CC..Hα-helixtrans-58.6-39.3174.400000113.8L201 W202 S203 F209 L252L201-G205 PolarHBondContact O-N 3.07Å; W202-G205 CarbonylContact O-C 3.34Å; W202-G205 WeakPolarHBondContact O-CA 3.22Å; W202-G205 PolarHBondContact O-N 2.61Å; S203-G205 VanDerWaalsContact C-N 3.35Å; S203-G205 PolarHBondContact O-N 3.17Å; G205-F209 WeakPolarHBondContact O-CB 3.1Å; G205-F209 PolarHBondContact O-N 2.83Å; G205-L252 WeakPolarHBondContact O-CD2 3.31Å
206T95.5Very high92.2Very high0 Ų018 Ų180%010%0.103CC..Hα-helixtrans-71.2-35.1177.3580000112Y184 W202 S203 I204 Q210 P217 L256Y184-T206 WeakPolarHBondContact CD1-OG1 3.43Å; W202-T206 HydrophobicContact CZ2-CG2 4.41Å; W202-T206 VanDerWaalsContact NE1-CG2 3.34Å; W202-T206 PolarHBondContact O-N 3.12Å; S203-T206 PolarHBondContact O-N 3.22Å; S203-T206 PolarHBondContact O-OG1 3.18Å; I204-T206 VanDerWaalsContact C-N 3.32Å; I204-T206 PolarHBondContact O-N 2.75Å; T206-Q210 WeakPolarHBondContact O-CB 3.15Å; T206-Q210 PolarHBondContact O-N 2.76Å; T206-P217 HydrophobicContact CG2-CG 3.7Å; T206-L256 HydrophobicContact CG2-CD2 3.62Å
207I95.4Very high92.7Very high3 Ų317.5 Ų17.52%0.01510%0.099CC..Hα-helixtrans-66.2-49.7174-66.2158.5000111.2L96 L135 P137 I140 Y184 S203 I204 F209 Q210 C211L96-I207 HydrophobicContact CD2-CG2 3.91Å; L135-I207 HydrophobicContact CB-CD1 4.24Å; P137-I207 HydrophobicContact CG-CG1 4.18Å; P137-I207 HydrophobicContact CG-CG2 4.43Å; I140-I207 HydrophobicContact CD1-CD1 3.91Å; I140-I207 HydrophobicContact CD1-CG2 4.21Å; Y184-I207 HydrophobicContact CD1-CG1 4.3Å; S203-I207 WeakPolarHBondContact O-CD1 3.06Å; S203-I207 VanDerWaalsContact O-CG1 3.28Å; S203-I207 WeakPolarHBondContact O-CG1 3.09Å; S203-I207 PolarHBondContact O-N 3.08Å; I204-I207 PolarHBondContact O-N 3.39Å; I207-F209 VanDerWaalsContact C-N 3.3Å; I207-F209 PolarHBondContact O-N 3.4Å; I207-Q210 PolarHBondContact O-N 2.7Å; I207-Q210 VanDerWaalsContact O-N 3.07Å; I207-C211 PolarHBondContact O-N 2.64Å; I207-C211 PolarHBondContact O-SG 3.09Å; I207-C211 VanDerWaalsContact O-SG 3.36Å
208V95.2Very high93.1Very high4 Ų417.3 Ų17.32%0.02410%0.096CC..Hα-helixtrans-59.7-41.9178.3173.90000111I111 L115 I204 Q210 C211 L212 L248 L252I111-V208 HydrophobicContact CG2-CG1 3.95Å; L115-V208 HydrophobicContact CD1-CG2 3.52Å; L115-V208 HydrophobicContact CD2-CG2 3.79Å; L115-V208 HydrophobicContact CG-CG2 4.2Å; I204-V208 HydrophobicContact CG2-CG2 4.29Å; I204-V208 VanDerWaalsContact O-CG2 3.32Å; I204-V208 WeakPolarHBondContact O-CG2 3.38Å; I204-V208 PolarHBondContact O-N 2.67Å; V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 3.33Å; V208-C211 PolarHBondContact O-N 2.84Å; V208-L212 WeakPolarHBondContact O-CB 3.42Å; V208-L212 PolarHBondContact O-N 2.8Å; V208-L212 VanDerWaalsContact O-N 3.12Å; V208-L248 HydrophobicContact CG1-CD1 3.61Å; V208-L252 HydrophobicContact CB-CD2 3.94Å; V208-L252 HydrophobicContact CG1-CD1 4.5Å; V208-L252 HydrophobicContact CG1-CD2 3.74Å; V208-L252 HydrophobicContact CG1-CG 4.13Å
209F95.3Very high92.7Very high9 Ų921.3 Ų21.34%0.03912%0.115CC..Hα-helixtrans-63.5-39.3175.3-175.3-82.4000111.9G205 I207 L212 T213 K215 P217 P238 N239 I240 L252 L256G205-F209 WeakPolarHBondContact O-CB 3.1Å; G205-F209 PolarHBondContact O-N 2.83Å; I207-F209 VanDerWaalsContact C-N 3.3Å; I207-F209 PolarHBondContact O-N 3.4Å; F209-L212 PolarHBondContact O-N 2.84Å; F209-T213 HydrophobicContact CD1-CG2 4.27Å; F209-T213 WeakPolarHBondContact CD1-OG1 3.42Å; F209-T213 HydrophobicContact CE1-CG2 3.83Å; F209-T213 WeakPolarHBondContact CE1-OG1 3.29Å; F209-T213 HydrophobicContact CE2-CG2 4.18Å; F209-T213 HydrophobicContact CZ-CG2 3.79Å; F209-T213 WeakPolarHBondContact O-CB 3.11Å; F209-T213 WeakPolarHBondContact O-CG2 3.41Å; F209-T213 PolarHBondContact O-N 3.26Å; F209-T213 VanDerWaalsContact O-N 3.1Å; F209-T213 PolarHBondContact O-OG1 2.89Å; F209-K215 WeakPolarHBondContact CD1-O 3.31Å; F209-K215 WeakPolarHBondContact CE1-O 3.4Å; F209-P217 HydrophobicContact CB-CB 4.32Å; F209-P217 HydrophobicContact CB-CG 4.27Å; F209-P217 VanDerWaalsContact CD1-CA 3.49Å; F209-P217 HydrophobicContact CD1-CB 3.56Å; F209-P217 HydrophobicContact CD1-CG 4.07Å; F209-P217 HydrophobicContact CD2-CB 4.06Å; F209-P217 VanDerWaalsContact CE1-CA 3.41Å; F209-P217 HydrophobicContact CE1-CB 3.84Å; F209-P217 HydrophobicContact CE2-CB 4.29Å; F209-P217 HydrophobicContact CG-CB 3.7Å; F209-P217 HydrophobicContact CG-CG 4.15Å; F209-P217 HydrophobicContact CZ-CB 4.19Å; F209-P238 HydrophobicContact CD2-CB 3.93Å; F209-P238 HydrophobicContact CE2-CB 3.74Å; F209-N239 WeakPolarHBondContact CE2-O 3.47Å; F209-N239 VanDerWaalsContact CZ-O 3.28Å; F209-N239 WeakPolarHBondContact CZ-O 3.49Å; F209-I240 HydrophobicContact CD2-CG1 4.29Å; F209-I240 HydrophobicContact CE2-CG1 4.08Å; F209-L252 HydrophobicContact CB-CD2 3.89Å; F209-L252 HydrophobicContact CD2-CD1 4.36Å; F209-L256 HydrophobicContact CB-CD1 4.22Å; F209-L256 HydrophobicContact CD2-CD1 4.39Å
210Q93.9Very high92.3Very high29 Ų2923.3 Ų23.314%0.13613%0.131CC..Hα-helixtrans-67.4-42.2176.8-160.6-174.6-20.400111.5L100 Y184 T206 I207 V208 L212 T213 G214 K215L100-Q210 HydrophobicContact CD2-CB 4.21Å; L100-Q210 HydrophobicContact CD2-CG 3.73Å; Y184-Q210 VanDerWaalsContact CE1-OE1 3.32Å; Y184-Q210 PolarHBondContact OH-OE1 2.81Å; T206-Q210 WeakPolarHBondContact O-CB 3.15Å; T206-Q210 PolarHBondContact O-N 2.76Å; I207-Q210 PolarHBondContact O-N 2.7Å; I207-Q210 VanDerWaalsContact O-N 3.07Å; V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 3.33Å; Q210-L212 PolarHBondContact O-N 3.24Å; Q210-T213 PolarHBondContact O-N 2.84Å; Q210-G214 VanDerWaalsContact O-CA 3.3Å; Q210-G214 WeakPolarHBondContact O-CA 2.99Å; Q210-G214 PolarHBondContact O-N 3.49Å; Q210-K215 WeakPolarHBondContact CA-O 3.49Å
211C93.7Very high91.5Very high6 Ų632.5 Ų32.54%0.04117%0.174CC..Hα-helixtrans-57.8-36174.1-65.60000112.7L106 I111 I207 V208L106-C211 HydrophobicContact CB-CB 4.45Å; L106-C211 HydrophobicContact CD1-CB 4.13Å; L106-C211 HydrophobicContact CG-CB 4.43Å; L106-C211 PolarHBondContact N-O 3.35Å; I111-C211 HydrophobicContact CD1-CB 3.96Å; I111-C211 HydrophobicContact CG1-CB 3.87Å; I207-C211 PolarHBondContact O-N 2.64Å; I207-C211 PolarHBondContact O-SG 3.09Å; I207-C211 VanDerWaalsContact O-SG 3.36Å; V208-C211 PolarHBondContact O-N 2.84Å
212L93.6Very high90.6Very high22 Ų2235.9 Ų35.912%0.11520%0.195CC..Hα-helixtrans-76.9-24.8179.2-178.462.2000114.1I111 V208 F209 Q210 I240 P241 A244 L248 L252I111-L212 HydrophobicContact CD1-CB 4.08Å; I111-L212 HydrophobicContact CD1-CD1 4.42Å; V208-L212 WeakPolarHBondContact O-CB 3.42Å; V208-L212 PolarHBondContact O-N 2.8Å; V208-L212 VanDerWaalsContact O-N 3.12Å; F209-L212 PolarHBondContact O-N 2.84Å; Q210-L212 PolarHBondContact O-N 3.24Å; L212-I240 HydrophobicContact CD2-CG2 4.08Å; L212-P241 HydrophobicContact CG-CG 4.42Å; L212-A244 HydrophobicContact CD1-CB 4.23Å; L212-A244 HydrophobicContact CD2-CB 3.89Å; L212-L248 HydrophobicContact CD1-CD2 3.95Å; L212-L248 HydrophobicContact CD2-CD2 4.01Å; L212-L248 HydrophobicContact CD2-CG 4.41Å; L212-L248 HydrophobicContact CG-CD2 4.49Å; L212-L252 HydrophobicContact CD2-CD1 3.69Å
213T91.5Very high89.9Confident36 Ų3639.4 Ų39.422%0.22122%0.217CC..Hα-helixtrans-132.7-5.5-166.866.90000115.9F209 Q210 K215 P241F209-T213 HydrophobicContact CD1-CG2 4.27Å; F209-T213 WeakPolarHBondContact CD1-OG1 3.42Å; F209-T213 HydrophobicContact CE1-CG2 3.83Å; F209-T213 WeakPolarHBondContact CE1-OG1 3.29Å; F209-T213 HydrophobicContact CE2-CG2 4.18Å; F209-T213 HydrophobicContact CZ-CG2 3.79Å; F209-T213 WeakPolarHBondContact O-CB 3.11Å; F209-T213 WeakPolarHBondContact O-CG2 3.41Å; F209-T213 PolarHBondContact O-N 3.26Å; F209-T213 VanDerWaalsContact O-N 3.1Å; F209-T213 PolarHBondContact O-OG1 2.89Å; Q210-T213 PolarHBondContact O-N 2.84Å; T213-K215 PolarHBondContact O-N 2.92Å; T213-K215 PolarHBondContact OG1-N 3.12Å; T213-K215 PolarHBondContact OG1-O 2.9Å; T213-P241 HydrophobicContact CG2-CG 3.8Å
214G88.3Confident89.1Confident33 Ų3342.8 Ų42.834%0.3423%0.233SC..SBendtrans70.3-2.9-170.800000114.7G104 Q210G104-G214 WeakPolarHBondContact O-CA 3.39Å; Q210-G214 VanDerWaalsContact O-CA 3.3Å; Q210-G214 WeakPolarHBondContact O-CA 2.99Å; Q210-G214 PolarHBondContact O-N 3.49Å
215K88.9Confident88.6Confident132 Ų13244.5 Ų44.557%0.57425%0.247SC*.SBendtrans-135.3149-170.3-64.5179-176.4175.70112.1F209 Q210 T213F209-K215 WeakPolarHBondContact CD1-O 3.31Å; F209-K215 WeakPolarHBondContact CE1-O 3.4Å; Q210-K215 WeakPolarHBondContact CA-O 3.49Å; T213-K215 PolarHBondContact O-N 2.92Å; T213-K215 PolarHBondContact OG1-N 3.12Å; T213-K215 PolarHBondContact OG1-O 2.9Å
216A89.8Confident88.3Confident8 Ų844.7 Ų44.77%0.06625%0.248CC..  trans-66.7146.7172.800000110.6M183 F218 Q219M183-A216 HydrophobicContact CB-CB 4.27Å; M183-A216 HydrophobicContact SD-CB 4.37Å; A216-F218 PolarHBondContact O-N 2.89Å; A216-Q219 HydrophobicContact CB-CG 4.26Å
217P91.4Very high88Confident18 Ų1846 Ų4612%0.11725%0.254CS..SBendtrans-66.5-23.7-173.623.2-31.9000114.4T206 F209 P238 L256T206-P217 HydrophobicContact CG2-CG 3.7Å; F209-P217 HydrophobicContact CB-CB 4.32Å; F209-P217 HydrophobicContact CB-CG 4.27Å; F209-P217 VanDerWaalsContact CD1-CA 3.49Å; F209-P217 HydrophobicContact CD1-CB 3.56Å; F209-P217 HydrophobicContact CD1-CG 4.07Å; F209-P217 HydrophobicContact CD2-CB 4.06Å; F209-P217 VanDerWaalsContact CE1-CA 3.41Å; F209-P217 HydrophobicContact CE1-CB 3.84Å; F209-P217 HydrophobicContact CE2-CB 4.29Å; F209-P217 HydrophobicContact CG-CB 3.7Å; F209-P217 HydrophobicContact CG-CG 4.15Å; F209-P217 HydrophobicContact CZ-CB 4.19Å; P217-P238 HydrophobicContact CB-CB 3.94Å; P217-L256 HydrophobicContact CB-CD1 4.04Å; P217-L256 HydrophobicContact CG-CD1 4Å; P217-L256 HydrophobicContact CG-CD2 4.2Å
218F91.7Very high87.6Confident12 Ų1249.6 Ų49.65%0.05327%0.27CS..SBendtrans-137.1120.9177.8-48.1-69.3000108.5W202 A216 L226 F229 Y230 L236 P238W202-F218 HydrophobicContact CH2-CD2 4Å; W202-F218 AromaticContact CH2-CE2 3.5Å; W202-F218 HydrophobicContact CH2-CE2 3.5Å; W202-F218 VanDerWaalsContact CH2-CE2 3.5Å; W202-F218 HydrophobicContact CH2-CZ 4.43Å; W202-F218 AromaticContact CZ2-CD2 3.79Å; W202-F218 HydrophobicContact CZ2-CD2 3.79Å; W202-F218 AromaticContact CZ2-CE2 3.7Å; W202-F218 HydrophobicContact CZ2-CE2 3.7Å; A216-F218 PolarHBondContact O-N 2.89Å; F218-L226 HydrophobicContact CB-CD1 3.99Å; F218-F229 HydrophobicContact CB-CD1 4.47Å; F218-F229 HydrophobicContact CB-CE1 4.03Å; F218-F229 AromaticContact CD1-CE1 3.59Å; F218-F229 HydrophobicContact CD1-CE1 3.59Å; F218-F229 HydrophobicContact CD1-CZ 4.02Å; F218-F229 HydrophobicContact CE1-CE1 4.42Å; F218-F229 HydrophobicContact CG-CE1 4.03Å; F218-Y230 HydrophobicContact CB-CE1 3.88Å; F218-Y230 AromaticContact CD2-CE1 3.76Å; F218-Y230 HydrophobicContact CD2-CE1 3.76Å; F218-Y230 AromaticContact CG-CE1 3.83Å; F218-Y230 HydrophobicContact CG-CE1 3.83Å; F218-L236 HydrophobicContact CE1-CB 4.16Å; F218-L236 HydrophobicContact CE1-CD2 4.46Å; F218-L236 HydrophobicContact CZ-CB 3.85Å; F218-P238 HydrophobicContact CZ-CB 4.19Å
219Q83.4Confident87.2Confident119 Ų11953 Ų5356%0.55629%0.285SS*.  trans-123.5145.2-175.7-64.5-174.8-42.500110.4A216A216-Q219 HydrophobicContact CB-CG 4.26Å
220A83.1Confident87Confident45 Ų4552.6 Ų52.637%0.37228%0.283SS..  trans-153.4156.5170.600000110.1T222 A225 L226A220-T222 PolarHBondContact O-N 2.8Å; A220-A225 HydrophobicContact CB-CB 3.78Å; A220-L226 HydrophobicContact CB-CB 3.91Å
221Q75.7Confident86.6Confident197 Ų19755.5 Ų55.592%0.92130%0.297SS*.SBendtrans-65.7-22.1-176.4-69177.6-16.800114.2
222T75.5Confident86.3Confident72 Ų7264.1 Ų64.144%0.44233%0.328SS..SBendtrans-140.415617667.70000110.9A220 Q224 A225 L226A220-T222 PolarHBondContact O-N 2.8Å; T222-Q224 PolarHBondContact O-N 2.81Å; T222-A225 PolarHBondContact O-N 3.32Å; T222-A225 VanDerWaalsContact O-N 3.07Å; T222-A225 WeakPolarHBondContact OG1-CB 3.06Å; T222-A225 PolarHBondContact OG1-N 2.92Å; T222-L226 PolarHBondContact O-N 3.37Å
223P80.1Confident85.8Confident73 Ų7366.3 Ų66.347%0.47434%0.34SS..Hα-helixtrans-56.4-34.6173.1-26.236000112.7P182 L226 K227P182-P223 HydrophobicContact CB-CB 3.99Å; P182-P223 HydrophobicContact CB-CG 4.1Å; P182-P223 HydrophobicContact CG-CB 4Å; P182-P223 HydrophobicContact CG-CG 3.85Å; P223-L226 PolarHBondContact O-N 2.85Å; P223-K227 WeakPolarHBondContact O-CB 3.37Å; P223-K227 PolarHBondContact O-N 3.32Å
224Q79.3Confident85.1Confident79 Ų7972.1 Ų72.137%0.36936%0.362SS..Hα-helixtrans-69.9-35.3177.3-169.671.7-23.200112.3T222 K227 Q228T222-Q224 PolarHBondContact O-N 2.81Å; Q224-K227 PolarHBondContact O-N 2.91Å; Q224-Q228 WeakPolarHBondContact O-CG 3.24Å; Q224-Q228 PolarHBondContact O-N 2.69Å
225A85Confident84.6Confident37 Ų3777.3 Ų77.331%0.30638%0.382SS..Hα-helixtrans-68.6-38.5172.400000111.7A220 T222 Q228 F229A220-A225 HydrophobicContact CB-CB 3.78Å; T222-A225 PolarHBondContact O-N 3.32Å; T222-A225 VanDerWaalsContact O-N 3.07Å; T222-A225 WeakPolarHBondContact OG1-CB 3.06Å; T222-A225 PolarHBondContact OG1-N 2.92Å; A225-Q228 PolarHBondContact O-N 2.78Å; A225-F229 WeakPolarHBondContact O-CB 3.31Å; A225-F229 PolarHBondContact O-N 3.2Å
226L89.1Confident84.4Confident4 Ų472.1 Ų72.12%0.02136%0.361CS..Hα-helixtrans-65.2-39.7174.5-173.758.2000111.6P182 I190 F218 A220 T222 P223 F229 Y230P182-L226 VanDerWaalsContact O-CD2 3.26Å; P182-L226 WeakPolarHBondContact O-CD2 3.44Å; I190-L226 HydrophobicContact CD1-CB 4.26Å; I190-L226 HydrophobicContact CD1-CD2 4.21Å; I190-L226 HydrophobicContact CD1-CG 4.23Å; F218-L226 HydrophobicContact CB-CD1 3.99Å; A220-L226 HydrophobicContact CB-CB 3.91Å; T222-L226 PolarHBondContact O-N 3.37Å; P223-L226 PolarHBondContact O-N 2.85Å; L226-F229 HydrophobicContact CD1-CD1 4.43Å; L226-F229 WeakPolarHBondContact O-CB 3.43Å; L226-F229 PolarHBondContact O-N 3.29Å; L226-Y230 HydrophobicContact CD1-CE1 4.21Å; L226-Y230 HydrophobicContact CD1-CE2 3.96Å; L226-Y230 HydrophobicContact CD2-CE2 4.2Å; L226-Y230 HydrophobicContact CG-CD2 4.25Å; L226-Y230 HydrophobicContact CG-CE2 3.72Å; L226-Y230 WeakPolarHBondContact O-CD2 3.45Å; L226-Y230 PolarHBondContact O-N 3.41Å
227K89.3Confident84Confident29 Ų2980.1 Ų80.113%0.12639%0.394CS..Hα-helixtrans-58.8-51.4171.4-179.6174.6174.4160.70111.8I190 P223 Q224 F229 Y230 E231I190-K227 HydrophobicContact CD1-CB 4.36Å; I190-K227 HydrophobicContact CG1-CB 4.18Å; I190-K227 WeakPolarHBondContact O-CD 3.3Å; P223-K227 WeakPolarHBondContact O-CB 3.37Å; P223-K227 PolarHBondContact O-N 3.32Å; Q224-K227 PolarHBondContact O-N 2.91Å; K227-F229 VanDerWaalsContact C-N 3.26Å; K227-F229 PolarHBondContact O-N 3.37Å; K227-Y230 PolarHBondContact O-N 3.14Å; K227-Y230 VanDerWaalsContact O-N 3.13Å; K227-E231 WeakPolarHBondContact CE-OE1 3.26Å; K227-E231 HydrophobicContact CG-CG 4.38Å; K227-E231 WeakPolarHBondContact CG-OE1 3.14Å; K227-E231 WeakPolarHBondContact O-CG 3.47Å; K227-E231 PolarHBondContact O-N 3.03Å
228Q85.2Confident83.8Confident77 Ų7780 Ų8036%0.3639%0.393SS..Hα-helixtrans-59.2-36.9176.3-73-179.526.400112.3Q224 A225 E231 R232Q224-Q228 WeakPolarHBondContact O-CG 3.24Å; Q224-Q228 PolarHBondContact O-N 2.69Å; A225-Q228 PolarHBondContact O-N 2.78Å; Q228-E231 PolarHBondContact O-N 3.28Å; Q228-R232 WeakPolarHBondContact O-CB 3.45Å; Q228-R232 VanDerWaalsContact O-CG 3.26Å; Q228-R232 WeakPolarHBondContact O-CG 3.42Å; Q228-R232 PolarHBondContact O-N 2.86Å; Q228-R232 VanDerWaalsContact OE1-NH2 3.15Å
229F88.1Confident83.6Confident77 Ų7786 Ų8634%0.33843%0.426SS..Hα-helixtrans-62.2-45.4174.9175.6-93000111.7F218 A225 L226 K227 N233 L236F218-F229 HydrophobicContact CB-CD1 4.47Å; F218-F229 HydrophobicContact CB-CE1 4.03Å; F218-F229 AromaticContact CD1-CE1 3.59Å; F218-F229 HydrophobicContact CD1-CE1 3.59Å; F218-F229 HydrophobicContact CD1-CZ 4.02Å; F218-F229 HydrophobicContact CE1-CE1 4.42Å; F218-F229 HydrophobicContact CG-CE1 4.03Å; A225-F229 WeakPolarHBondContact O-CB 3.31Å; A225-F229 PolarHBondContact O-N 3.2Å; L226-F229 HydrophobicContact CD1-CD1 4.43Å; L226-F229 WeakPolarHBondContact O-CB 3.43Å; L226-F229 PolarHBondContact O-N 3.29Å; K227-F229 VanDerWaalsContact C-N 3.26Å; K227-F229 PolarHBondContact O-N 3.37Å; F229-N233 VanDerWaalsContact CD2-ND2 3.27Å; F229-N233 WeakPolarHBondContact CD2-ND2 3.42Å; F229-N233 VanDerWaalsContact CE2-ND2 3.34Å; F229-N233 WeakPolarHBondContact CE2-ND2 3.25Å; F229-N233 WeakPolarHBondContact O-CB 3.49Å; F229-N233 PolarHBondContact O-N 2.9Å; F229-N233 PolarHBondContact O-ND2 2.76Å; F229-L236 HydrophobicContact CD1-CD2 4.37Å; F229-L236 HydrophobicContact CE1-CD2 3.74Å; F229-L236 HydrophobicContact CZ-CD2 4.37Å
230Y90.9Very high83.9Confident0 Ų081.7 Ų81.70%041%0.406CS..Hα-helixtrans-71-31.1175.2-65.5-35.2000113.8P187 I190 W202 F218 L226 K227 L236 R258P187-Y230 HydrophobicContact CB-CD2 4.19Å; P187-Y230 HydrophobicContact CB-CG 4.11Å; P187-Y230 HydrophobicContact CG-CD1 4.23Å; P187-Y230 HydrophobicContact CG-CD2 4.31Å; P187-Y230 HydrophobicContact CG-CE1 4.33Å; P187-Y230 HydrophobicContact CG-CE2 4.39Å; P187-Y230 HydrophobicContact CG-CG 4.21Å; I190-Y230 HydrophobicContact CG2-CD2 3.47Å; I190-Y230 VanDerWaalsContact CG2-CD2 3.47Å; I190-Y230 HydrophobicContact CG2-CE2 3.8Å; W202-Y230 HydrophobicContact CH2-CE1 4.44Å; W202-Y230 HydrophobicContact CZ2-CE1 4.22Å; F218-Y230 HydrophobicContact CB-CE1 3.88Å; F218-Y230 AromaticContact CD2-CE1 3.76Å; F218-Y230 HydrophobicContact CD2-CE1 3.76Å; F218-Y230 AromaticContact CG-CE1 3.83Å; F218-Y230 HydrophobicContact CG-CE1 3.83Å; L226-Y230 HydrophobicContact CD1-CE1 4.21Å; L226-Y230 HydrophobicContact CD1-CE2 3.96Å; L226-Y230 HydrophobicContact CD2-CE2 4.2Å; L226-Y230 HydrophobicContact CG-CD2 4.25Å; L226-Y230 HydrophobicContact CG-CE2 3.72Å; L226-Y230 WeakPolarHBondContact O-CD2 3.45Å; L226-Y230 PolarHBondContact O-N 3.41Å; K227-Y230 PolarHBondContact O-N 3.14Å; K227-Y230 VanDerWaalsContact O-N 3.13Å; Y230-L236 HydrophobicContact CD1-CD1 3.46Å; Y230-L236 VanDerWaalsContact CD1-CD1 3.46Å; Y230-L236 HydrophobicContact CD1-CD2 3.93Å; Y230-L236 HydrophobicContact CD1-CG 4.37Å; Y230-L236 HydrophobicContact CE1-CD1 3.71Å; Y230-L236 HydrophobicContact CE1-CD2 4.42Å; Y230-L236 HydrophobicContact CG-CD1 4.46Å; Y230-R258 VanDerWaalsContact O-CZ 3.23Å; Y230-R258 PolarHBondContact O-NE 2.82Å; Y230-R258 PolarHBondContact O-NH2 3.49Å
231E86.2Confident84Confident90 Ų9081.4 Ų81.442%0.42140%0.4SS..Hα-helixtrans-65.9-45.9174.6-74.9169.8168.500111.1M191 K227 Q228 R258M191-E231 HydrophobicContact CG-CG 3.87Å; M191-E231 HydrophobicContact SD-CG 3.76Å; K227-E231 WeakPolarHBondContact CE-OE1 3.26Å; K227-E231 HydrophobicContact CG-CG 4.38Å; K227-E231 WeakPolarHBondContact CG-OE1 3.14Å; K227-E231 WeakPolarHBondContact O-CG 3.47Å; K227-E231 PolarHBondContact O-N 3.03Å; Q228-E231 PolarHBondContact O-N 3.28Å; E231-R258 PolarHBondContact O-NH2 2.93Å
232R85.8Confident84.4Confident186 Ų18676.5 Ų76.570%0.70239%0.394SS*.Hα-helixtrans-69.6-49.1178.3-68.6172.2-172171.87.4112.7Q228 K234Q228-R232 WeakPolarHBondContact O-CB 3.45Å; Q228-R232 VanDerWaalsContact O-CG 3.26Å; Q228-R232 WeakPolarHBondContact O-CG 3.42Å; Q228-R232 PolarHBondContact O-N 2.86Å; Q228-R232 VanDerWaalsContact OE1-NH2 3.15Å; R232-K234 PolarHBondContact O-N 2.9Å
233N82.7Confident84.9Confident68 Ų6878.2 Ų78.236%0.36441%0.409SS..  trans-88.996.5-170.8-65.6-70.9000111.9F229 L236 R258F229-N233 VanDerWaalsContact CD2-ND2 3.27Å; F229-N233 WeakPolarHBondContact CD2-ND2 3.42Å; F229-N233 VanDerWaalsContact CE2-ND2 3.34Å; F229-N233 WeakPolarHBondContact CE2-ND2 3.25Å; F229-N233 WeakPolarHBondContact O-CB 3.49Å; F229-N233 PolarHBondContact O-N 2.9Å; F229-N233 PolarHBondContact O-ND2 2.76Å; N233-L236 HydrophobicContact CB-CD2 3.64Å; N233-R258 WeakPolarHBondContact O-CD 3.44Å; N233-R258 PolarHBondContact O-NE 2.76Å; N233-R258 VanDerWaalsContact O-NE 3.13Å
234K78.1Confident85.3Confident158 Ų15874.9 Ų74.969%0.68739%0.388SS*.SBendtrans-66.2-36.6176.6-67.5-179.3-177173.40113.3R232 R258R232-K234 PolarHBondContact O-N 2.9Å; K234-R258 WeakPolarHBondContact O-CD 3.21Å
235N78Confident85.9Confident143 Ų14372.6 Ų72.677%0.76538%0.38SS*.SBendtrans-107.780.7-178.4-67-2.8000109.6K237N235-K237 PolarHBondContact O-N 2.75Å
236L84.5Confident86.1Confident22 Ų2275.9 Ų75.912%0.11539%0.393CS..  trans-67.2128.2175.8-60.9177.5000109.9P187 W202 F218 F229 Y230 N233 R258P187-L236 HydrophobicContact CG-CD1 3.85Å; W202-L236 HydrophobicContact CH2-CD1 3.67Å; W202-L236 HydrophobicContact CZ3-CD1 4.3Å; F218-L236 HydrophobicContact CE1-CB 4.16Å; F218-L236 HydrophobicContact CE1-CD2 4.46Å; F218-L236 HydrophobicContact CZ-CB 3.85Å; F229-L236 HydrophobicContact CD1-CD2 4.37Å; F229-L236 HydrophobicContact CE1-CD2 3.74Å; F229-L236 HydrophobicContact CZ-CD2 4.37Å; Y230-L236 HydrophobicContact CD1-CD1 3.46Å; Y230-L236 VanDerWaalsContact CD1-CD1 3.46Å; Y230-L236 HydrophobicContact CD1-CD2 3.93Å; Y230-L236 HydrophobicContact CD1-CG 4.37Å; Y230-L236 HydrophobicContact CE1-CD1 3.71Å; Y230-L236 HydrophobicContact CE1-CD2 4.42Å; Y230-L236 HydrophobicContact CG-CD1 4.46Å; N233-L236 HydrophobicContact CB-CD2 3.64Å; L236-R258 HydrophobicContact CB-CB 4.44Å; L236-R258 HydrophobicContact CD1-CB 3.74Å; L236-R258 HydrophobicContact CD1-CG 3.79Å; L236-R258 HydrophobicContact CG-CB 3.99Å; L236-R258 HydrophobicContact CG-CG 4.19Å
237K81Confident86.3Confident177 Ų17780.5 Ų80.577%0.7741%0.414SS*.  trans-124.5114.8173-69.7-172.9176.3-1740108.4N235N235-K237 PolarHBondContact O-N 2.75Å
238P87.2Confident86.4Confident14 Ų1479.1 Ų79.19%0.09141%0.408CS..  trans-72.4148.4172.631.3-34.6000110.6F209 P217 F218 I240 L256F209-P238 HydrophobicContact CD2-CB 3.93Å; F209-P238 HydrophobicContact CE2-CB 3.74Å; P217-P238 HydrophobicContact CB-CB 3.94Å; F218-P238 HydrophobicContact CZ-CB 4.19Å; P238-I240 HydrophobicContact CB-CG1 4.36Å; P238-I240 HydrophobicContact CG-CD1 4.11Å; P238-I240 HydrophobicContact CG-CG1 4.03Å; P238-I240 PolarHBondContact O-N 2.67Å; P238-I240 VanDerWaalsContact O-N 3.08Å; P238-L256 HydrophobicContact CB-CD1 3.8Å; P238-L256 HydrophobicContact CG-CB 4.29Å; P238-L256 HydrophobicContact CG-CD1 3.83Å
239N87.5Confident86.8Confident140 Ų14079 Ų7975%0.74940%0.404SS*.  trans-84.775.5179.3-172.722.5000111.2F209F209-N239 WeakPolarHBondContact CE2-O 3.47Å; F209-N239 VanDerWaalsContact CZ-O 3.28Å; F209-N239 WeakPolarHBondContact CZ-O 3.49Å
240I89.3Confident87Confident27 Ų2778.4 Ų78.414%0.13841%0.405CS..  trans-74.8128.9-178.3-54.5173.1000109.3F209 L212 P238 A244 R249 L252 L253F209-I240 HydrophobicContact CD2-CG1 4.29Å; F209-I240 HydrophobicContact CE2-CG1 4.08Å; L212-I240 HydrophobicContact CD2-CG2 4.08Å; P238-I240 HydrophobicContact CB-CG1 4.36Å; P238-I240 HydrophobicContact CG-CD1 4.11Å; P238-I240 HydrophobicContact CG-CG1 4.03Å; P238-I240 PolarHBondContact O-N 2.67Å; P238-I240 VanDerWaalsContact O-N 3.08Å; I240-A244 HydrophobicContact CG2-CB 3.93Å; I240-R249 HydrophobicContact CD1-CG 4.25Å; I240-R249 HydrophobicContact CG2-CG 4.43Å; I240-L252 HydrophobicContact CD1-CB 3.66Å; I240-L252 HydrophobicContact CD1-CD1 4.18Å; I240-L252 HydrophobicContact CG1-CB 4.47Å; I240-L252 HydrophobicContact CG1-CD1 4.24Å; I240-L252 HydrophobicContact CG2-CD1 4.3Å; I240-L253 HydrophobicContact CD1-CD2 4.2Å; I240-L253 HydrophobicContact CD1-CG 4.01Å
241P86.6Confident87.1Confident39 Ų3978.4 Ų78.425%0.25341%0.405SS..  trans-57139.6175.5-25.934.9000112.9L212 T213 S243 A244L212-P241 HydrophobicContact CG-CG 4.42Å; T213-P241 HydrophobicContact CG2-CG 3.8Å; P241-S243 PolarHBondContact O-N 2.87Å; P241-S243 VanDerWaalsContact O-N 3.13Å; P241-A244 WeakPolarHBondContact O-CB 3.41Å; P241-A244 PolarHBondContact O-N 2.76Å
242A83.9Confident87.5Confident95 Ų9574.1 Ų74.179%0.78538%0.384SS*.THydrogen-bonded Turntrans-63.3-18.3176.900000113.5A244 R249A242-A244 VanDerWaalsContact C-N 3.3Å; A242-R249 PolarHBondContact O-NH2 3.2Å
243S85.6Confident87.9Confident108 Ų10868.9 Ų68.976%0.75537%0.37SS*.THydrogen-bonded Turntrans-76.6-9.4174.157.10000114.4P241P241-S243 PolarHBondContact O-N 2.87Å; P241-S243 VanDerWaalsContact O-N 3.13Å
244A87.9Confident88.3Confident3 Ų368.8 Ų68.83%0.02537%0.367CS..SBendtrans-78.8139.5178.300000111.4E108 L212 I240 P241 A242 R249E108-A244 WeakPolarHBondContact OE1-CA 3.36Å; L212-A244 HydrophobicContact CD1-CB 4.23Å; L212-A244 HydrophobicContact CD2-CB 3.89Å; I240-A244 HydrophobicContact CG2-CB 3.93Å; P241-A244 WeakPolarHBondContact O-CB 3.41Å; P241-A244 PolarHBondContact O-N 2.76Å; A242-A244 VanDerWaalsContact C-N 3.3Å; A244-R249 PolarHBondContact O-NH2 2.82Å
245S92Very high89.1Confident30 Ų3061.2 Ų61.221%0.2134%0.335CS..  trans-56.4153.3177.263.20000112.3E108 E247 L248 R249E108-S245 PolarHBondContact OE1-N 2.76Å; E108-S245 PolarHBondContact OE1-OG 2.86Å; E108-S245 WeakPolarHBondContact OE2-CB 3.46Å; E108-S245 PolarHBondContact OE2-OG 2.92Å; S245-E247 PolarHBondContact O-N 2.83Å; S245-L248 PolarHBondContact O-N 2.92Å; S245-L248 VanDerWaalsContact OG-CB 3.27Å; S245-L248 WeakPolarHBondContact OG-CB 3.32Å; S245-L248 PolarHBondContact OG-N 3.4Å; S245-L248 VanDerWaalsContact OG-N 3.12Å; S245-R249 WeakPolarHBondContact O-CB 3.39Å; S245-R249 PolarHBondContact O-N 2.82Å
246D89.3Confident89.9Confident107 Ų10754.6 Ų54.657%0.57230%0.299SS*.Hα-helixtrans-65.7-29.2178.1-75.7-50.6000111.7R249 D250D246-R249 IonicContact OD1-CZ 2.69Å; D246-R249 IonicContact OD1-NE 2.67Å; D246-R249 IonicContact OD1-NH1 2.9Å; D246-R249 PolarHBondContact OD1-NH1 2.77Å; D246-D250 VanDerWaalsContact O-CB 3.29Å; D246-D250 WeakPolarHBondContact O-CB 3.33Å; D246-D250 PolarHBondContact O-N 2.75Å
247E92.4Very high90.2Very high100 Ų10056.7 Ų56.747%0.46731%0.307SS..Hα-helixtrans-68.6-42.9172.3-60.984.3171.300112.8S245 R249 M251 H272 P273 F274S245-E247 PolarHBondContact O-N 2.83Å; E247-R249 VanDerWaalsContact C-N 3.34Å; E247-M251 WeakPolarHBondContact O-CB 3.29Å; E247-M251 PolarHBondContact O-N 3.37Å; E247-M251 VanDerWaalsContact O-N 3.13Å; E247-H272 PolarHBondContact O-CE1 3.37Å; E247-P273 HydrophobicContact CG-CB 4.3Å; E247-F274 HydrophobicContact CB-CB 4.07Å; E247-F274 HydrophobicContact CB-CD2 4.1Å
248L93.1Very high90.6Very high0 Ų051.3 Ų51.30%028%0.282CS..Hα-helixtrans-69.4-36.8175.7-177.453.8000111.4E108 I111 V208 L212 S245 L252 F274E108-L248 HydrophobicContact CG-CD2 3.73Å; I111-L248 HydrophobicContact CD1-CD2 4.42Å; I111-L248 HydrophobicContact CG2-CD1 4.23Å; V208-L248 HydrophobicContact CG1-CD1 3.61Å; L212-L248 HydrophobicContact CD1-CD2 3.95Å; L212-L248 HydrophobicContact CD2-CD2 4.01Å; L212-L248 HydrophobicContact CD2-CG 4.41Å; L212-L248 HydrophobicContact CG-CD2 4.49Å; S245-L248 PolarHBondContact O-N 2.92Å; S245-L248 VanDerWaalsContact OG-CB 3.27Å; S245-L248 WeakPolarHBondContact OG-CB 3.32Å; S245-L248 PolarHBondContact OG-N 3.4Å; S245-L248 VanDerWaalsContact OG-N 3.12Å; L248-L252 HydrophobicContact CD1-CD1 4.45Å; L248-L252 HydrophobicContact CD1-CG 4.5Å; L248-L252 HydrophobicContact CG-CD1 4.33Å; L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 2.64Å; L248-F274 HydrophobicContact CB-CD2 3.97Å; L248-F274 HydrophobicContact CB-CE2 3.72Å; L248-F274 HydrophobicContact CB-CZ 4.3Å; L248-F274 HydrophobicContact CD1-CD1 4.45Å; L248-F274 HydrophobicContact CD1-CE1 4Å; L248-F274 HydrophobicContact CD1-CE2 4.11Å; L248-F274 HydrophobicContact CD1-CZ 3.82Å; L248-F274 HydrophobicContact CD2-CE2 4.4Å; L248-F274 HydrophobicContact CD2-CZ 4.34Å; L248-F274 HydrophobicContact CG-CE2 4.29Å; L248-F274 HydrophobicContact CG-CZ 4.38Å
249R93.6Very high90.4Very high74 Ų7453.8 Ų53.828%0.27929%0.294SS..Hα-helixtrans-64.5-46177-175-175.7-60.8173.5-4.9111.6I240 A242 A244 S245 D246 E247 L252 L253I240-R249 HydrophobicContact CD1-CG 4.25Å; I240-R249 HydrophobicContact CG2-CG 4.43Å; A242-R249 PolarHBondContact O-NH2 3.2Å; A244-R249 PolarHBondContact O-NH2 2.82Å; S245-R249 WeakPolarHBondContact O-CB 3.39Å; S245-R249 PolarHBondContact O-N 2.82Å; D246-R249 IonicContact OD1-CZ 2.69Å; D246-R249 IonicContact OD1-NE 2.67Å; D246-R249 IonicContact OD1-NH1 2.9Å; D246-R249 PolarHBondContact OD1-NH1 2.77Å; E247-R249 VanDerWaalsContact C-N 3.34Å; R249-L252 PolarHBondContact O-N 3.49Å; R249-L253 HydrophobicContact CG-CD1 4.17Å; R249-L253 WeakPolarHBondContact O-CB 2.96Å; R249-L253 VanDerWaalsContact O-CG 3.23Å; R249-L253 WeakPolarHBondContact O-CG 3.48Å; R249-L253 PolarHBondContact O-N 3.29Å
250D92Very high90.3Very high65 Ų6548.7 Ų48.735%0.34827%0.269SS..Hα-helixtrans-65-45.4176.9-16977.8000111.7D246 L252 L253 H254 H272D246-D250 VanDerWaalsContact O-CB 3.29Å; D246-D250 WeakPolarHBondContact O-CB 3.33Å; D246-D250 PolarHBondContact O-N 2.75Å; D250-L252 VanDerWaalsContact C-N 3.32Å; D250-L252 PolarHBondContact O-N 2.88Å; D250-L253 PolarHBondContact O-N 3.08Å; D250-L253 VanDerWaalsContact O-N 3.15Å; D250-H254 VanDerWaalsContact CG-ND1 3.27Å; D250-H254 WeakPolarHBondContact O-CB 3.15Å; D250-H254 PolarHBondContact O-N 3.08Å; D250-H254 PolarHBondContact O-ND1 2.84Å; D250-H254 IonicContact OD1-CE1 3.64Å; D250-H254 PolarHBondContact OD1-CE1 2.83Å; D250-H254 IonicContact OD1-ND1 3.71Å; D250-H254 PolarHBondContact OD1-ND1 3.48Å; D250-H254 IonicContact OD2-CE1 2.72Å; D250-H254 PolarHBondContact OD2-CE1 2.75Å; D250-H254 VanDerWaalsContact OD2-CE1 3.23Å; D250-H254 IonicContact OD2-ND1 2.74Å; D250-H254 PolarHBondContact OD2-ND1 3.32Å; D250-H272 IonicContact OD2-NE2 2.93Å; D250-H272 PolarHBondContact OD2-NE2 2.83Å
251M93.6Very high90Very high0 Ų056.4 Ų56.40%030%0.301CS..Hα-helixtrans-52.4-49.3173.3179.662.6104.100111.3L115 E247 H254 L255 F269 H272 L275L115-M251 HydrophobicContact CD2-CE 4.03Å; L115-M251 HydrophobicContact CD2-CG 4.33Å; E247-M251 WeakPolarHBondContact O-CB 3.29Å; E247-M251 PolarHBondContact O-N 3.37Å; E247-M251 VanDerWaalsContact O-N 3.13Å; M251-H254 PolarHBondContact O-N 3.38Å; M251-L255 HydrophobicContact CG-CD1 3.75Å; M251-L255 HydrophobicContact CG-CG 4.5Å; M251-L255 WeakPolarHBondContact O-CB 3.24Å; M251-L255 VanDerWaalsContact O-CG 3.25Å; M251-L255 WeakPolarHBondContact O-CG 3.15Å; M251-L255 PolarHBondContact O-N 3.33Å; M251-L255 HydrophobicContact SD-CD1 3.71Å; M251-L255 HydrophobicContact SD-CG 4.08Å; M251-F269 HydrophobicContact CE-CD2 3.66Å; M251-F269 HydrophobicContact CE-CE2 3.67Å; M251-F269 HydrophobicContact SD-CD2 3.71Å; M251-F269 HydrophobicContact SD-CE2 3.97Å; M251-H272 HydrophobicContact CE-CB 3.5Å; M251-H272 VanDerWaalsContact CE-CB 3.5Å; M251-H272 VanDerWaalsContact CE-CG 3.49Å; M251-H272 PolarHBondContact N-NE2 3.42Å; M251-H272 HydrophobicContact SD-CB 4.25Å; M251-L275 HydrophobicContact CE-CD1 4.11Å; M251-L275 HydrophobicContact CE-CD2 4.13Å; M251-L275 HydrophobicContact CE-CG 3.86Å
252L94.4Very high90Very high0 Ų059.8 Ų59.80%031%0.313CS..Hα-helixtrans-65.1-41.3178.5-78.7173.3000113G205 V208 F209 L212 I240 L248 R249 D250 H254 L255 L256G205-L252 WeakPolarHBondContact O-CD2 3.31Å; V208-L252 HydrophobicContact CB-CD2 3.94Å; V208-L252 HydrophobicContact CG1-CD1 4.5Å; V208-L252 HydrophobicContact CG1-CD2 3.74Å; V208-L252 HydrophobicContact CG1-CG 4.13Å; F209-L252 HydrophobicContact CB-CD2 3.89Å; F209-L252 HydrophobicContact CD2-CD1 4.36Å; L212-L252 HydrophobicContact CD2-CD1 3.69Å; I240-L252 HydrophobicContact CD1-CB 3.66Å; I240-L252 HydrophobicContact CD1-CD1 4.18Å; I240-L252 HydrophobicContact CG1-CB 4.47Å; I240-L252 HydrophobicContact CG1-CD1 4.24Å; I240-L252 HydrophobicContact CG2-CD1 4.3Å; L248-L252 HydrophobicContact CD1-CD1 4.45Å; L248-L252 HydrophobicContact CD1-CG 4.5Å; L248-L252 HydrophobicContact CG-CD1 4.33Å; L248-L252 WeakPolarHBondContact O-CB 3.44Å; L248-L252 WeakPolarHBondContact O-CG 3.43Å; L248-L252 PolarHBondContact O-N 2.64Å; R249-L252 PolarHBondContact O-N 3.49Å; D250-L252 VanDerWaalsContact C-N 3.32Å; D250-L252 PolarHBondContact O-N 2.88Å; L252-H254 VanDerWaalsContact C-N 3.28Å; L252-H254 PolarHBondContact O-N 2.86Å; L252-L255 PolarHBondContact O-N 2.83Å; L252-L256 HydrophobicContact CD2-CD1 4.21Å; L252-L256 VanDerWaalsContact O-CB 3.32Å; L252-L256 WeakPolarHBondContact O-CB 3.46Å; L252-L256 PolarHBondContact O-N 2.94Å
253L92.4Very high90.5Very high77 Ų7755.4 Ų55.440%0.40328%0.276SS..Hα-helixtrans-66.7-28.7177.4-72.3170.2000112.8I240 R249 D250 K257I240-L253 HydrophobicContact CD1-CD2 4.2Å; I240-L253 HydrophobicContact CD1-CG 4.01Å; R249-L253 HydrophobicContact CG-CD1 4.17Å; R249-L253 WeakPolarHBondContact O-CB 2.96Å; R249-L253 VanDerWaalsContact O-CG 3.23Å; R249-L253 WeakPolarHBondContact O-CG 3.48Å; R249-L253 PolarHBondContact O-N 3.29Å; D250-L253 PolarHBondContact O-N 3.08Å; D250-L253 VanDerWaalsContact O-N 3.15Å; L253-K257 WeakPolarHBondContact O-CD 3.3Å; L253-K257 WeakPolarHBondContact O-CE 3.49Å; L253-K257 WeakPolarHBondContact O-CG 3.1Å
254H92.7Very high90.8Very high65 Ų6551.1 Ų51.130%0.30125%0.245SC..Hα-helixtrans-86.2-30.8177-78.9118.3000114D250 M251 L252 I264D250-H254 VanDerWaalsContact CG-ND1 3.27Å; D250-H254 WeakPolarHBondContact O-CB 3.15Å; D250-H254 PolarHBondContact O-N 3.08Å; D250-H254 PolarHBondContact O-ND1 2.84Å; D250-H254 IonicContact OD1-CE1 3.64Å; D250-H254 PolarHBondContact OD1-CE1 2.83Å; D250-H254 IonicContact OD1-ND1 3.71Å; D250-H254 PolarHBondContact OD1-ND1 3.48Å; D250-H254 IonicContact OD2-CE1 2.72Å; D250-H254 PolarHBondContact OD2-CE1 2.75Å; D250-H254 VanDerWaalsContact OD2-CE1 3.23Å; D250-H254 IonicContact OD2-ND1 2.74Å; D250-H254 PolarHBondContact OD2-ND1 3.32Å; M251-H254 PolarHBondContact O-N 3.38Å; L252-H254 VanDerWaalsContact C-N 3.28Å; L252-H254 PolarHBondContact O-N 2.86Å; H254-I264 HydrophobicContact CB-CB 4.18Å; H254-I264 HydrophobicContact CB-CD1 4.19Å; H254-I264 PolarHBondContact O-N 3.27Å
255L94.9Very high90.9Very high0 Ų054.3 Ų54.30%026%0.261CS..Hα-helixtrans-76.6-42172.9-67.9167.2000112.5L201 I204 M251 L252 K257 R263 I264 F269L201-L255 HydrophobicContact CB-CD2 4.06Å; L201-L255 HydrophobicContact CD2-CD2 4.5Å; L201-L255 WeakPolarHBondContact O-CD2 3.25Å; I204-L255 HydrophobicContact CG2-CD1 4.38Å; M251-L255 HydrophobicContact CG-CD1 3.75Å; M251-L255 HydrophobicContact CG-CG 4.5Å; M251-L255 WeakPolarHBondContact O-CB 3.24Å; M251-L255 VanDerWaalsContact O-CG 3.25Å; M251-L255 WeakPolarHBondContact O-CG 3.15Å; M251-L255 PolarHBondContact O-N 3.33Å; M251-L255 HydrophobicContact SD-CD1 3.71Å; M251-L255 HydrophobicContact SD-CG 4.08Å; L252-L255 PolarHBondContact O-N 2.83Å; L255-K257 PolarHBondContact O-N 2.98Å; L255-K257 VanDerWaalsContact O-N 3.14Å; L255-R263 VanDerWaalsContact O-CD 3.26Å; L255-R263 WeakPolarHBondContact O-CD 3.4Å; L255-R263 VanDerWaalsContact O-CG 3.29Å; L255-R263 WeakPolarHBondContact O-CG 3.44Å; L255-I264 HydrophobicContact CD2-CG2 3.54Å; L255-I264 HydrophobicContact CG-CG2 4.24Å; L255-F269 HydrophobicContact CD1-CE2 4.39Å; L255-F269 HydrophobicContact CD2-CD2 3.92Å; L255-F269 HydrophobicContact CD2-CE2 4.25Å
256L93.9Very high90.8Very high3 Ų353.8 Ų53.82%0.01626%0.256CS..SBendtrans-87.631.7-174.1-65.1173.6000114.1W202 T206 F209 P217 P238 L252W202-L256 HydrophobicContact CD2-CD2 4.07Å; W202-L256 HydrophobicContact CE3-CD2 4.22Å; W202-L256 HydrophobicContact CH2-CD2 4.36Å; W202-L256 HydrophobicContact CZ2-CD2 4.21Å; W202-L256 HydrophobicContact CZ3-CB 4.35Å; W202-L256 HydrophobicContact CZ3-CD2 4.37Å; W202-L256 VanDerWaalsContact CZ3-O 3.25Å; W202-L256 WeakPolarHBondContact CZ3-O 3.42Å; T206-L256 HydrophobicContact CG2-CD2 3.62Å; F209-L256 HydrophobicContact CB-CD1 4.22Å; F209-L256 HydrophobicContact CD2-CD1 4.39Å; P217-L256 HydrophobicContact CB-CD1 4.04Å; P217-L256 HydrophobicContact CG-CD1 4Å; P217-L256 HydrophobicContact CG-CD2 4.2Å; P238-L256 HydrophobicContact CB-CD1 3.8Å; P238-L256 HydrophobicContact CG-CB 4.29Å; P238-L256 HydrophobicContact CG-CD1 3.83Å; L252-L256 HydrophobicContact CD2-CD1 4.21Å; L252-L256 VanDerWaalsContact O-CB 3.32Å; L252-L256 WeakPolarHBondContact O-CB 3.46Å; L252-L256 PolarHBondContact O-N 2.94Å
257K91.8Very high90.8Very high67 Ų6754 Ų5429%0.29126%0.257SS..  trans-76.7125.4172.5-65.4-74.2-168.3172.10111.2L253 L255 N259 E262 R263L253-K257 WeakPolarHBondContact O-CD 3.3Å; L253-K257 WeakPolarHBondContact O-CE 3.49Å; L253-K257 WeakPolarHBondContact O-CG 3.1Å; L255-K257 PolarHBondContact O-N 2.98Å; L255-K257 VanDerWaalsContact O-N 3.14Å; K257-N259 VanDerWaalsContact C-N 3.31Å; K257-N259 PolarHBondContact O-N 3.07Å; K257-E262 HydrophobicContact CB-CB 4.26Å; K257-E262 HydrophobicContact CD-CB 4.17Å; K257-E262 HydrophobicContact CG-CB 4.26Å; K257-R263 HydrophobicContact CB-CB 3.89Å; K257-R263 HydrophobicContact CB-CG 4.29Å; K257-R263 PolarHBondContact O-NE 2.78Å; K257-R263 PolarHBondContact O-NH2 2.94Å
258R88.6Confident90.7Very high64 Ų6451.4 Ų51.424%0.24225%0.253CS..SBendtrans-60.3-38.8174.8-170.6-170-179.3-104.98.3112.6P187 Y230 E231 N233 K234 L236P187-R258 HydrophobicContact CB-CG 4Å; P187-R258 HydrophobicContact CG-CG 4.15Å; Y230-R258 VanDerWaalsContact O-CZ 3.23Å; Y230-R258 PolarHBondContact O-NE 2.82Å; Y230-R258 PolarHBondContact O-NH2 3.49Å; E231-R258 PolarHBondContact O-NH2 2.93Å; N233-R258 WeakPolarHBondContact O-CD 3.44Å; N233-R258 PolarHBondContact O-NE 2.76Å; N233-R258 VanDerWaalsContact O-NE 3.13Å; K234-R258 WeakPolarHBondContact O-CD 3.21Å; L236-R258 HydrophobicContact CB-CB 4.44Å; L236-R258 HydrophobicContact CD1-CB 3.74Å; L236-R258 HydrophobicContact CD1-CG 3.79Å; L236-R258 HydrophobicContact CG-CB 3.99Å; L236-R258 HydrophobicContact CG-CG 4.19Å
259N82.4Confident90.8Very high65 Ų6551.4 Ų51.435%0.34825%0.253SS..SBendtrans-86119.7179.7-1781000110.4K257 K261 E262 R263K257-N259 VanDerWaalsContact C-N 3.31Å; K257-N259 PolarHBondContact O-N 3.07Å; N259-K261 PolarHBondContact O-N 2.85Å; N259-K261 VanDerWaalsContact O-N 3.1Å; N259-K261 WeakPolarHBondContact OD1-CB 3.01Å; N259-K261 PolarHBondContact OD1-N 3.02Å; N259-E262 HydrophobicContact CB-CB 4.18Å; N259-E262 HydrophobicContact CB-CG 4.08Å; N259-E262 VanDerWaalsContact CB-OE1 3.28Å; N259-E262 WeakPolarHBondContact CB-OE1 3.16Å; N259-E262 PolarHBondContact ND2-OE1 3.37Å; N259-E262 PolarHBondContact O-N 3.42Å; N259-R263 PolarHBondContact O-N 3.39Å
260V85.6Confident90.7Very high34 Ų3449.3 Ų49.321%0.20625%0.246CC..THydrogen-bonded Turntrans-56-27.3178-169.10000112.7E188 K198E188-V260 HydrophobicContact CB-CG2 4.07Å; E188-V260 VanDerWaalsContact CD-CG2 3.4Å; E188-V260 HydrophobicContact CG-CG2 3.72Å; K198-V260 HydrophobicContact CB-CG1 4.1Å; K198-V260 HydrophobicContact CD-CG1 4.28Å; K198-V260 WeakPolarHBondContact CD-O 3.2Å
261K83.6Confident90.6Very high189 Ų18952.6 Ų52.682%0.82226%0.259SS*.THydrogen-bonded Turntrans-75.4-29.9175.9-64.3-173176.2-174.60113.8N259N259-K261 PolarHBondContact O-N 2.85Å; N259-K261 VanDerWaalsContact O-N 3.1Å; N259-K261 WeakPolarHBondContact OD1-CB 3.01Å; N259-K261 PolarHBondContact OD1-N 3.02Å
262E86.9Confident90.6Very high109 Ų10953.2 Ų53.251%0.50926%0.261SS..THydrogen-bonded Turntrans-91.8-22.1-179.6-68.1164.7-131.600112.5K257 N259K257-E262 HydrophobicContact CB-CB 4.26Å; K257-E262 HydrophobicContact CD-CB 4.17Å; K257-E262 HydrophobicContact CG-CB 4.26Å; N259-E262 HydrophobicContact CB-CB 4.18Å; N259-E262 HydrophobicContact CB-CG 4.08Å; N259-E262 VanDerWaalsContact CB-OE1 3.28Å; N259-E262 WeakPolarHBondContact CB-OE1 3.16Å; N259-E262 PolarHBondContact ND2-OE1 3.37Å; N259-E262 PolarHBondContact O-N 3.42Å
263R93.1Very high90.3Very high3 Ų357.1 Ų57.11%0.01129%0.287CS..SBendtrans-61.5142.1173.7-160.3176.4-54.7143.67.3110E188 K198 L255 K257 N259E188-R263 IonicContact OE1-CZ 3.76Å; E188-R263 IonicContact OE1-NH1 3.6Å; E188-R263 PolarHBondContact OE1-NH1 3.41Å; E188-R263 IonicContact OE1-NH2 3.7Å; E188-R263 PolarHBondContact OE1-NH2 3.22Å; E188-R263 IonicContact OE2-CZ 3.58Å; E188-R263 IonicContact OE2-NH1 3.67Å; E188-R263 IonicContact OE2-NH2 3.52Å; E188-R263 PolarHBondContact OE2-NH2 2.94Å; K198-R263 PolarHBondContact NZ-O 3.34Å; K198-R263 WeakPolarHBondContact O-CD 3.09Å; K198-R263 PolarHBondContact O-NH1 2.91Å; L255-R263 VanDerWaalsContact O-CD 3.26Å; L255-R263 WeakPolarHBondContact O-CD 3.4Å; L255-R263 VanDerWaalsContact O-CG 3.29Å; L255-R263 WeakPolarHBondContact O-CG 3.44Å; K257-R263 HydrophobicContact CB-CB 3.89Å; K257-R263 HydrophobicContact CB-CG 4.29Å; K257-R263 PolarHBondContact O-NE 2.78Å; K257-R263 PolarHBondContact O-NH2 2.94Å; N259-R263 PolarHBondContact O-N 3.39Å
264I92.3Very high90.3Very high18 Ų1853.7 Ų53.79%0.09227%0.269CS..  trans-49.5148.4173.7-155.5164.7000111.4K198 L201 H254 L255 A268 F269K198-I264 WeakPolarHBondContact CD-O 3.26Å; K198-I264 WeakPolarHBondContact CE-O 3.44Å; K198-I264 PolarHBondContact NZ-O 3.4Å; L201-I264 HydrophobicContact CD1-CG2 4.26Å; L201-I264 VanDerWaalsContact CD1-O 3.31Å; L201-I264 WeakPolarHBondContact CD1-O 3.47Å; H254-I264 HydrophobicContact CB-CB 4.18Å; H254-I264 HydrophobicContact CB-CD1 4.19Å; H254-I264 PolarHBondContact O-N 3.27Å; L255-I264 HydrophobicContact CD2-CG2 3.54Å; L255-I264 HydrophobicContact CG-CG2 4.24Å; I264-A268 HydrophobicContact CD1-CB 4.11Å; I264-A268 HydrophobicContact CG1-CB 3.62Å; I264-F269 HydrophobicContact CD1-CB 4.2Å; I264-F269 HydrophobicContact CG1-CB 4.35Å; I264-F269 HydrophobicContact CG2-CB 4.2Å
265D90.2Very high90.1Very high70 Ų7051.1 Ų51.137%0.37426%0.257SS..  trans-92.4177.6166.650.161.5000111.2D267 A268 F269D265-D267 PolarHBondContact OD1-N 2.81Å; D265-A268 VanDerWaalsContact OD1-CB 3.31Å; D265-A268 WeakPolarHBondContact OD1-CB 3.39Å; D265-A268 PolarHBondContact OD1-N 2.9Å; D265-F269 WeakPolarHBondContact O-CB 3.29Å; D265-F269 PolarHBondContact O-N 2.97Å
266F90.6Very high89.5Confident20 Ų2057 Ų579%0.08828%0.283CS..Hα-helixtrans-67-41.6-174.7-72.9-84.3000112I122 N126 A197 L201 F269 F270I122-F266 HydrophobicContact CG2-CD1 3.9Å; I122-F266 HydrophobicContact CG2-CE1 3.62Å; N126-F266 HydrophobicContact CB-CD1 4.41Å; N126-F266 HydrophobicContact CB-CE1 4.48Å; A197-F266 HydrophobicContact CB-CE2 3.52Å; A197-F266 HydrophobicContact CB-CZ 3.65Å; A197-F266 WeakPolarHBondContact O-CZ 2.93Å; L201-F266 HydrophobicContact CD1-CD1 4.19Å; L201-F266 HydrophobicContact CD1-CD2 4.09Å; L201-F266 HydrophobicContact CD1-CE1 4.14Å; L201-F266 HydrophobicContact CD1-CE2 4.02Å; L201-F266 HydrophobicContact CD1-CG 4.17Å; L201-F266 HydrophobicContact CD1-CZ 4.05Å; L201-F266 HydrophobicContact CD2-CD1 3.84Å; L201-F266 HydrophobicContact CD2-CE1 3.71Å; L201-F266 HydrophobicContact CD2-CZ 4.33Å; L201-F266 HydrophobicContact CG-CD1 4.19Å; L201-F266 HydrophobicContact CG-CE1 3.79Å; L201-F266 HydrophobicContact CG-CE2 4.36Å; L201-F266 HydrophobicContact CG-CZ 3.88Å; F266-F269 PolarHBondContact O-N 3.11Å; F266-F270 HydrophobicContact CB-CD2 4.4Å; F266-F270 HydrophobicContact CB-CE2 3.73Å; F266-F270 HydrophobicContact CB-CZ 4.01Å; F266-F270 HydrophobicContact CD1-CE2 4.45Å; F266-F270 AromaticContact CD1-CZ 3.88Å; F266-F270 HydrophobicContact CD1-CZ 3.88Å; F266-F270 HydrophobicContact CG-CZ 4.44Å; F266-F270 WeakPolarHBondContact O-CD2 3.41Å; F266-F270 WeakPolarHBondContact O-CE2 3.32Å; F266-F270 WeakPolarHBondContact O-CG 3.41Å; F266-F270 PolarHBondContact O-N 2.69Å
267D89.4Confident88Confident111 Ų11160.8 Ų60.859%0.59430%0.303SS*.Hα-helixtrans-68.8-46.8-176.8-57.8-44.9000110.7D265 F269 F270 E271D265-D267 PolarHBondContact OD1-N 2.81Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 3.11Å; D267-F270 PolarHBondContact O-N 3.46Å; D267-E271 PolarHBondContact O-N 3.11Å
268A90.7Very high86.1Confident46 Ų4662.5 Ų62.538%0.3833%0.33SS..Hα-helixtrans-62.9-33.5173.200000113.1I264 D265 H272I264-A268 HydrophobicContact CD1-CB 4.11Å; I264-A268 HydrophobicContact CG1-CB 3.62Å; D265-A268 VanDerWaalsContact OD1-CB 3.31Å; D265-A268 WeakPolarHBondContact OD1-CB 3.39Å; D265-A268 PolarHBondContact OD1-N 2.9Å; A268-H272 PolarHBondContact O-N 3.33Å; A268-H272 VanDerWaalsContact O-N 3.16Å
269F94.1Very high83.8Confident0 Ų066.7 Ų66.70%036%0.357CS..Hα-helixtrans-66.4-45.9173.1168-112.7000112L115 A119 L201 I204 M251 L255 I264 D265 F266 D267 E271 H272 L275L115-F269 HydrophobicContact CD1-CE2 4.32Å; L115-F269 HydrophobicContact CD1-CZ 4.15Å; L115-F269 HydrophobicContact CG-CE2 4.5Å; A119-F269 HydrophobicContact CB-CE1 3.89Å; A119-F269 HydrophobicContact CB-CZ 4.1Å; L201-F269 HydrophobicContact CD2-CB 4.23Å; L201-F269 HydrophobicContact CD2-CD1 3.68Å; L201-F269 HydrophobicContact CD2-CE1 4.18Å; L201-F269 HydrophobicContact CD2-CG 3.92Å; I204-F269 HydrophobicContact CD1-CE1 4.36Å; I204-F269 HydrophobicContact CD1-CZ 4.33Å; I204-F269 HydrophobicContact CG2-CE2 4.23Å; I204-F269 HydrophobicContact CG2-CZ 4.04Å; M251-F269 HydrophobicContact CE-CD2 3.66Å; M251-F269 HydrophobicContact CE-CE2 3.67Å; M251-F269 HydrophobicContact SD-CD2 3.71Å; M251-F269 HydrophobicContact SD-CE2 3.97Å; L255-F269 HydrophobicContact CD1-CE2 4.39Å; L255-F269 HydrophobicContact CD2-CD2 3.92Å; L255-F269 HydrophobicContact CD2-CE2 4.25Å; I264-F269 HydrophobicContact CD1-CB 4.2Å; I264-F269 HydrophobicContact CG1-CB 4.35Å; I264-F269 HydrophobicContact CG2-CB 4.2Å; D265-F269 WeakPolarHBondContact O-CB 3.29Å; D265-F269 PolarHBondContact O-N 2.97Å; F266-F269 PolarHBondContact O-N 3.11Å; D267-F269 VanDerWaalsContact C-N 3.3Å; D267-F269 PolarHBondContact O-N 3.11Å; F269-E271 VanDerWaalsContact C-N 3.3Å; F269-E271 PolarHBondContact O-N 3.07Å; F269-H272 VanDerWaalsContact O-CB 3.32Å; F269-H272 WeakPolarHBondContact O-CB 3.47Å; F269-H272 PolarHBondContact O-N 2.92Å; F269-L275 VanDerWaalsContact O-CD1 3.23Å; F269-L275 WeakPolarHBondContact O-CD1 3.17Å
270F92.3Very high81.4Confident30 Ų3068 Ų6813%0.13237%0.371CS..Hα-helixtrans-67.8-28.2179.1-58-37.4000113.1A119 I122 K123 F266 D267A119-F270 HydrophobicContact CB-CD1 4.13Å; A119-F270 VanDerWaalsContact O-CE1 3.3Å; A119-F270 WeakPolarHBondContact O-CE1 2.93Å; I122-F270 HydrophobicContact CB-CE1 4.44Å; I122-F270 HydrophobicContact CG2-CE1 4.17Å; I122-F270 HydrophobicContact CG2-CZ 4.23Å; K123-F270 HydrophobicContact CB-CD1 4.38Å; K123-F270 HydrophobicContact CB-CD2 4.37Å; K123-F270 HydrophobicContact CB-CE1 3.82Å; K123-F270 HydrophobicContact CB-CE2 3.8Å; K123-F270 HydrophobicContact CB-CZ 3.51Å; K123-F270 HydrophobicContact CD-CD2 3.88Å; K123-F270 HydrophobicContact CD-CE2 4.05Å; K123-F270 HydrophobicContact CD-CG 4.19Å; K123-F270 HydrophobicContact CG-CD2 4.04Å; K123-F270 HydrophobicContact CG-CE2 3.67Å; K123-F270 HydrophobicContact CG-CZ 3.94Å; F266-F270 HydrophobicContact CB-CD2 4.4Å; F266-F270 HydrophobicContact CB-CE2 3.73Å; F266-F270 HydrophobicContact CB-CZ 4.01Å; F266-F270 HydrophobicContact CD1-CE2 4.45Å; F266-F270 AromaticContact CD1-CZ 3.88Å; F266-F270 HydrophobicContact CD1-CZ 3.88Å; F266-F270 HydrophobicContact CG-CZ 4.44Å; F266-F270 WeakPolarHBondContact O-CD2 3.41Å; F266-F270 WeakPolarHBondContact O-CE2 3.32Å; F266-F270 WeakPolarHBondContact O-CG 3.41Å; F266-F270 PolarHBondContact O-N 2.69Å; D267-F270 PolarHBondContact O-N 3.46Å
271E88.6Confident78.8Confident134 Ų13473.3 Ų73.363%0.62640%0.399SS*.THydrogen-bonded Turntrans-93.20178.3-66.6-170.2-173.400114.3D267 F269 K276D267-E271 PolarHBondContact O-N 3.11Å; F269-E271 VanDerWaalsContact C-N 3.3Å; F269-E271 PolarHBondContact O-N 3.07Å; E271-K276 WeakPolarHBondContact O-CE 3.3Å; E271-K276 PolarHBondContact O-NZ 3.38Å
272H93.4Very high76.3Confident12 Ų1272.1 Ų72.16%0.05640%0.401CS..  trans-58.2136.2-174.9-169.9-81.1000112.7E247 D250 M251 A268 F269 F274 L275E247-H272 PolarHBondContact O-CE1 3.37Å; D250-H272 IonicContact OD2-NE2 2.93Å; D250-H272 PolarHBondContact OD2-NE2 2.83Å; M251-H272 HydrophobicContact CE-CB 3.5Å; M251-H272 VanDerWaalsContact CE-CB 3.5Å; M251-H272 VanDerWaalsContact CE-CG 3.49Å; M251-H272 PolarHBondContact N-NE2 3.42Å; M251-H272 HydrophobicContact SD-CB 4.25Å; A268-H272 PolarHBondContact O-N 3.33Å; A268-H272 VanDerWaalsContact O-N 3.16Å; F269-H272 VanDerWaalsContact O-CB 3.32Å; F269-H272 WeakPolarHBondContact O-CB 3.47Å; F269-H272 PolarHBondContact O-N 2.92Å; H272-F274 VanDerWaalsContact C-N 3.31Å; H272-F274 WeakPolarHBondContact ND1-CB 3.44Å; H272-F274 PolarHBondContact ND1-N 3.24Å; H272-F274 PolarHBondContact O-N 3.23Å; H272-F274 VanDerWaalsContact O-N 3.15Å; H272-L275 PolarHBondContact O-N 3.19Å
273P89.6Confident73.5Confident83 Ų8374.6 Ų74.654%0.53942%0.418SS..G310 helixtrans-47.6-46.7-176.8-31.636.2000114.7E247 L275 K276E247-P273 HydrophobicContact CG-CB 4.3Å; P273-L275 PolarHBondContact O-N 3.42Å; P273-K276 PolarHBondContact O-N 2.79Å
274F91.5Very high70.4Confident5 Ų580.5 Ų80.52%0.02245%0.454CS..G310 helixtrans-52.9-25.1178.6-170.5-100.2000114.8E108 I111 R112 L115 E247 L248 H272E108-F274 HydrophobicContact CB-CE2 4.49Å; I111-F274 HydrophobicContact CG2-CE1 4.14Å; I111-F274 HydrophobicContact CG2-CZ 4.18Å; R112-F274 HydrophobicContact CB-CE1 3.8Å; R112-F274 HydrophobicContact CB-CZ 3.79Å; R112-F274 WeakPolarHBondContact CD-O 3.33Å; R112-F274 HydrophobicContact CG-CD1 4.45Å; R112-F274 HydrophobicContact CG-CE1 4.18Å; R112-F274 HydrophobicContact CG-CZ 4.4Å; R112-F274 WeakPolarHBondContact CG-O 3.38Å; R112-F274 PolarHBondContact NE-O 2.92Å; L115-F274 HydrophobicContact CD2-CD1 4.17Å; L115-F274 HydrophobicContact CD2-CE1 4.26Å; E247-F274 HydrophobicContact CB-CB 4.07Å; E247-F274 HydrophobicContact CB-CD2 4.1Å; L248-F274 HydrophobicContact CB-CD2 3.97Å; L248-F274 HydrophobicContact CB-CE2 3.72Å; L248-F274 HydrophobicContact CB-CZ 4.3Å; L248-F274 HydrophobicContact CD1-CD1 4.45Å; L248-F274 HydrophobicContact CD1-CE1 4Å; L248-F274 HydrophobicContact CD1-CE2 4.11Å; L248-F274 HydrophobicContact CD1-CZ 3.82Å; L248-F274 HydrophobicContact CD2-CE2 4.4Å; L248-F274 HydrophobicContact CD2-CZ 4.34Å; L248-F274 HydrophobicContact CG-CE2 4.29Å; L248-F274 HydrophobicContact CG-CZ 4.38Å; H272-F274 VanDerWaalsContact C-N 3.31Å; H272-F274 WeakPolarHBondContact ND1-CB 3.44Å; H272-F274 PolarHBondContact ND1-N 3.24Å; H272-F274 PolarHBondContact O-N 3.23Å; H272-F274 VanDerWaalsContact O-N 3.15Å
275L89.6Confident67.4Low11 Ų1186.2 Ų86.26%0.05848%0.484CS..G310 helixtrans-89.4-16.5-179.7-60-173.2000114.6L115 R116 A119 M251 F269 H272 P273L115-L275 HydrophobicContact CB-CD2 4.02Å; L115-L275 HydrophobicContact CD2-CD2 3.89Å; L115-L275 HydrophobicContact CG-CD2 3.74Å; R116-L275 WeakPolarHBondContact CD-O 3.47Å; R116-L275 HydrophobicContact CG-CB 4.25Å; R116-L275 HydrophobicContact CG-CD2 4.16Å; R116-L275 WeakPolarHBondContact CG-O 3.43Å; R116-L275 PolarHBondContact NH1-O 2.98Å; A119-L275 HydrophobicContact CB-CD1 3.78Å; M251-L275 HydrophobicContact CE-CD1 4.11Å; M251-L275 HydrophobicContact CE-CD2 4.13Å; M251-L275 HydrophobicContact CE-CG 3.86Å; F269-L275 VanDerWaalsContact O-CD1 3.23Å; F269-L275 WeakPolarHBondContact O-CD1 3.17Å; H272-L275 PolarHBondContact O-N 3.19Å; P273-L275 PolarHBondContact O-N 3.42Å
276K82.1Confident64.3Low122 Ų12287.8 Ų87.853%0.5350%0.501SS..SBendtrans-76.5142-175.6-74.2164.8170.1158.70110.3E271 P273E271-K276 WeakPolarHBondContact O-CE 3.3Å; E271-K276 PolarHBondContact O-NZ 3.38Å; P273-K276 PolarHBondContact O-N 2.79Å
277D61.4Low61.3Low83 Ų8391.9 Ų91.944%0.44453%0.532SS..  trans-71.6138175.6-68.3-68.2000110.4R116 N279R116-D277 VanDerWaalsContact CZ-CG 3.43Å; R116-D277 IonicContact CZ-OD1 2.8Å; R116-D277 IonicContact CZ-OD2 3.49Å; R116-D277 IonicContact NE-OD1 2.71Å; R116-D277 IonicContact NH1-OD1 3.49Å; R116-D277 PolarHBondContact NH1-OD1 2.81Å; R116-D277 IonicContact NH1-OD2 2.69Å; R116-D277 PolarHBondContact NH1-OD2 2.71Å; R116-D277 IonicContact NH2-OD1 3.62Å; R116-D277 PolarHBondContact NH2-OD1 2.96Å; R116-D277 IonicContact NH2-OD2 3.39Å; R116-D277 PolarHBondContact NH2-OD2 3.42Å; D277-N279 PolarHBondContact O-N 2.92Å; D277-N279 VanDerWaalsContact O-N 3.16Å
278A52Low58.4Low104 Ų10493.1 Ų93.186%0.8654%0.543SS*.THydrogen-bonded Turntrans-66.1-10168.700000113.4
279N40.5Very low55.4Low152 Ų15299.9 Ų99.981%0.81356%0.564SS**THydrogen-bonded Turntrans-118.47.7-169-74.7-16.3000115.1D277 N281D277-N279 PolarHBondContact O-N 2.92Å; D277-N279 VanDerWaalsContact O-N 3.16Å; N279-N281 PolarHBondContact O-N 3.2Å
280S32.1Very low52.2Low91 Ų91108 Ų10864%0.63661%0.607SS**  trans-79.460.7-178.167.50000113.5
281N30.8Very low49.1Very low147 Ų147112.6 Ų112.679%0.78664%0.639SS**  trans-13278173-90.8-28.7000109.7N279N279-N281 PolarHBondContact O-N 3.2Å
282N31.7Very low46Very low164 Ų164117.4 Ų117.488%0.87765%0.652SS**  trans-177.5100.7156.1-97.1-28.6000111.5
283D28.2Very low42.8Very low161 Ų161126.4 Ų126.486%0.86169%0.691SS**  trans-83.1120.6157.7-79.3-58.6000109.3
284T28Very low40Very low126 Ų126131 Ų13177%0.77371%0.71SS**  trans171.6159.9145.425.60000112.8
285L29.1Very low36.8Very low138 Ų138137.9 Ų137.972%0.72374%0.74SS**  trans63.8130.1176.5-84.370000114.7
286S25.6Very low33.8Very low103 Ų103143.5 Ų143.572%0.7278%0.775SS**  cis68.1117.715.8101.90000116.2
287S26.1Very low31.2Very low107 Ų107143.5 Ų143.575%0.74879%0.785SS**  trans58.783.9168.8177.50000118.6
288V29.4Very low29.5Very low137 Ų137147 Ų14783%0.8380%0.799SS**  trans-130.6153.1156.5-174.50000110.3
289K26.6Very low28.4Very low187 Ų187149.8 Ų149.881%0.81380%0.797SS**  trans-114.7155.1-167.9-62.2166-177.5166.10112.5
290L28.2Very low27.7Very low171 Ų171147.8 Ų147.890%0.89580%0.795SS**  trans-65.6143.2170.7-72100.7000113.5
291P26.3Very low27.6Very low126 Ų126147.4 Ų147.482%0.81880%0.797SS**  trans-108.199.4162.935.1-25.7000113.8
292R24.6Very low27.4Very low235 Ų235145.6 Ų145.689%0.88780%0.796SS**  trans5.8130.1148.2-60.3168.6177.5168.3-2.6121
293K26.1Very low27.5Very low201 Ų201143.4 Ų143.487%0.87479%0.791SS**  trans36.9127.7132.1-68.9-173.6173-175.10120.7
294L29.4Very low27.5Very low181 Ų181142.3 Ų142.395%0.94879%0.79SS**  trans-111.2157.3141-89.1162000110.6
295K24.6Very low27.5Very low149 Ų149147 Ų14765%0.64879%0.794SS**  trans-143.4130.3-170.4-153.6-146.6-166.4-142.80108.9E298K295-E298 WeakPolarHBondContact CE-OE1 3.16Å; K295-E298 IonicContact NZ-OE1 3.56Å; K295-E298 PolarHBondContact NZ-OE1 2.94Å; K295-E298 IonicContact NZ-OE2 2.6Å; K295-E298 PolarHBondContact NZ-OE2 3.36Å
296V27.2Very low27.4Very low129 Ų129145.7 Ų145.778%0.78280%0.796SS**  trans-145.1135.1166.1-165.30000109.3
297T27.8Very low27.7Very low122 Ų122146 Ų14675%0.74880%0.796SS**  trans13.1121.5168.258.50000119.4
298E24.9Very low27.7Very low156 Ų156145.2 Ų145.273%0.72979%0.79SS**  cis78.385.214.9-142.4167.4-84.900116K295K295-E298 WeakPolarHBondContact CE-OE1 3.16Å; K295-E298 IonicContact NZ-OE1 3.56Å; K295-E298 PolarHBondContact NZ-OE1 2.94Å; K295-E298 IonicContact NZ-OE2 2.6Å; K295-E298 PolarHBondContact NZ-OE2 3.36Å
299I29.3Very low27.8Very low162 Ų162146.7 Ų146.783%0.83179%0.79SS**  trans-132.3122.8154.5-68.7-175.5000109
300S25.1Very low27.7Very low111 Ų111142.9 Ų142.978%0.77678%0.782SS**  trans24.2135.6142-136.30000119.8
301A30Very low27.5Very low82 Ų82144.5 Ų144.568%0.67878%0.776SS**  cis-171.8167.83.900000108.3
302S27.9Very low27.6Very low109 Ų109147.8 Ų147.876%0.76278%0.778SS**  cis-159.1164.6-11.3-104.10000109.6
303P34.3Very low27.8Very low118 Ų118142.1 Ų142.177%0.76677%0.772SS**  trans-103.1145.8-156.837.2-34.4000116.4
304V27.5Very low27.8Very low139 Ų139140.7 Ų140.784%0.84277%0.768SS**  trans-135.6120.4168.4-175.90000113.7
305R28.4Very low27.7Very low224 Ų224142.6 Ų142.685%0.84576%0.763SS**  trans-8.2134152.5-57.3166176.8167.3-3119.7
306S27.3Very low27.7Very low111 Ų111141.4 Ų141.478%0.77677%0.768SS**  trans65.3163.9140.2-52.80000119.8
307P30.2Very low27.6Very low110 Ų110141.2 Ų141.271%0.71477%0.767SS**  cis-104.3136.3-23.612.79.4000110.4
308S26.9Very low27.5Very low90 Ų90142.3 Ų142.363%0.62976%0.764SS**  54.2106.471.983.80000113.5
309M30.9Very low27.7Very low167 Ų167139.1 Ų139.182%0.82375%0.754SS**  88.2162.687.7-170.4-178.966.700111.9
310V25Very low27.5Very low108 Ų108142.3 Ų142.366%0.65576%0.758SS**  trans74.9135.1171.3-176.20000114
311R25.1Very low27.6Very low204 Ų204144.6 Ų144.677%0.7775%0.749SS**  cis-169146.6-15.6-108179.8-163.9156.10.4106.8
312F26.9Very low27.4Very low195 Ų195152.5 Ų152.586%0.85576%0.762SS**  trans55.7-160.6161.2-80.7-109.9000113
313P29.4Very low27.2Very low117 Ų117151.9 Ų151.976%0.7676%0.758SS**  cis-112.2-136.6-49.234.7-18.2000110.1
314Q25.5Very low26.8Very low170 Ų170154.6 Ų154.679%0.79476%0.76SS**  trans-75.2164.1172-56.3158.7-39.400112.6
315R26.6Very low26.8Very low222 Ų222155.7 Ų155.784%0.83876%0.756SS**  trans76.5109.4156.7-72.5-176.6174.6-176.3-1.6121
316T26.1Very low26.7Very low123 Ų123156 Ų15676%0.75576%0.757SS**  54.3148.2125.960.70000123.8
317V24.6Very low27.1Very low126 Ų126155.6 Ų155.676%0.76475%0.751SS**  trans112.7109.2151-175.50000118.9
318E25.5Very low27.2Very low145 Ų145158.8 Ų158.868%0.67875%0.754SS**  trans36.6124.9138.8-60.7-169.217400127.6R321E318-R321 IonicContact OE2-NH2 2.72Å
319V28.4Very low27.6Very low88 Ų88161.2 Ų161.253%0.53376%0.76SS.*  69.6131.8121.8179.40000122R321V319-R321 HydrophobicContact CG1-CB 4.14Å; V319-R321 PolarHBondContact O-NH1 2.75Å
320Y25.8Very low27.8Very low229 Ų229157.3 Ų157.390%0.89876%0.755SS**  trans-131.1130.6147.6-108-93.5000109.5
321R27Very low28.2Very low160 Ų160157.5 Ų157.560%0.60476%0.761SS**  cis114.851.81.8-151.9166-84.4134.9-13.5116.5E318 V319E318-R321 IonicContact OE2-NH2 2.72Å; V319-R321 HydrophobicContact CG1-CB 4.14Å; V319-R321 PolarHBondContact O-NH1 2.75Å
322R27.1Very low28.7Very low247 Ų247151 Ų15193%0.93276%0.757SS**  trans-127.5144.7155.5-81.4-173.6179.9177.5-0108.1
323S22.9Very low29.2Very low97 Ų97150.6 Ų150.668%0.67876%0.757SS**  cis-167.7157.2-23.237.30000107.5
324E26.4Very low29.4Very low174 Ų174148.7 Ų148.781%0.81375%0.751SS**  trans83.3145.2-175.9-57.1172.3-165.900116.6
325Q26.1Very low29.8Very low163 Ų163146.8 Ų146.876%0.76275%0.747SS**  cis-164.4100.3-37.7-123.5-176.876.900112.3
326R26.2Very low29.9Very low231 Ų231142.5 Ų142.587%0.87274%0.736SS**  trans62.7171.7153.8-70.3-176172.1-172.5-1.5119.4
327P35.6Very low30.5Very low101 Ų101141.8 Ų141.866%0.65673%0.734SS**  -140-176.6-5040.3-23.6000115.1
328K33.2Very low30.7Very low177 Ų177143 Ų14377%0.7773%0.728SS**  trans79.1148.6163.2-59.7-178.2178.4-174.10117.7
329D34.7Very low31Very low141 Ų141143 Ų14375%0.75473%0.728SS**  cis-172.8171.6-13.5-90.6-22.4000105.9
330A35.6Very low31Very low86 Ų86144.9 Ų144.971%0.71174%0.735SS**  cis-179.5159.3-26.600000107
331S33.7Very low31.1Very low112 Ų112141.2 Ų141.278%0.78373%0.726SS**  cis-175.4140-20.353.30000111
332G35.7Very low31Very low66 Ų66138.5 Ų138.568%0.6873%0.727SS**  trans121.9154.1165.900000115.8
333H37.2Very low31.1Very low188 Ų188134.4 Ų134.487%0.8772%0.722SS**  cis-172.5175.8-4-97-60000106.8
334A33.1Very low31.6Very low76 Ų76132.6 Ų132.663%0.62872%0.719SS**  cis-178.6176.1-19.500000105.2
335D34.1Very low31.5Very low131 Ų131130.5 Ų130.570%0.70172%0.718SS**  cis-169.6166.3-14.2-119.739.7000105.7
336Q29.4Very low31.6Very low131 Ų131128.1 Ų128.161%0.61271%0.714SS**  cis-155.9162.4-14-135.6-169.298.900107.3
337P37.8Very low31.6Very low109 Ų109127 Ų12771%0.70872%0.716SS**  trans-112.8-143.8-168.542.9-33.2000114.3
338K29.1Very low31.3Very low150 Ų150125.7 Ų125.765%0.65272%0.72SS**  trans100.8164175.4-51.4155.2-166.7162.50113.4
339H32.2Very low31Very low145 Ų145123 Ų12367%0.67172%0.724SS**  cis-160.1137.927.1-139.7-94.7000112.7
340L27.5Very low30.5Very low128 Ų128121 Ų12167%0.6772%0.721SS**  trans52.7173.1146.9-88.755.2000121.9
341E27.8Very low29.9Very low153 Ų153125.8 Ų125.872%0.71573%0.726SS**  cis-177.7-175.1-43.3-106.1-173-159.600108.5
342T26.6Very low29.4Very low102 Ų102127.1 Ų127.163%0.62673%0.729SS**  cis-156.5176.7-0.5-10.90000112
343I28Very low28.9Very low162 Ų162127.8 Ų127.883%0.83173%0.728SS**  trans78.7135.9145.9-73.5155.5000122.3
344G33.2Very low28.1Very low59 Ų59124.6 Ų124.661%0.60872%0.722SS**  trans12299.8154.500000116
345T26Very low27.6Very low129 Ų129128 Ų12879%0.79173%0.729SS**  58.8129.963.472.30000115
346T26.3Very low27Very low113 Ų113127.4 Ų127.469%0.69373%0.729SS**  cis-172.5157.96.5100000113.2
347K26.4Very low26.7Very low209 Ų209129.6 Ų129.691%0.90974%0.74SS**  trans68.9147.5149.9-67.2165.8-179.1176.70121.2
348G30.3Very low25.9Very low72 Ų72129.6 Ų129.674%0.74274%0.741SS**  trans11898.7170.300000112.9
349S26.3Very low25.6Very low120 Ų120130 Ų13084%0.83975%0.75SS**  61.7103.670.1-166.40000112.7
350S24.9Very low25.2Very low99 Ų99128.5 Ų128.569%0.69274%0.744SS**  cis96.3139.749.2-172.80000113.3
351K23.2Very low25Very low188 Ų188128.9 Ų128.982%0.81774%0.742SS**  trans79.9128.9179.5-65.4172.4-177.5179.70115.1
352V23.5Very low24.9Very low140 Ų140129.9 Ų129.985%0.84875%0.746SS**  68.912967.7172.80000110.3
353A23.4Very low25Very low80 Ų80128.5 Ų128.566%0.66175%0.753SS**  cis-150.2152.429.800000110.6
354T22Very low25.5Very low120 Ų120127.7 Ų127.774%0.73675%0.75SS**  89.8143.274.9-52.60000115.4
355L21.9Very low25.1Very low149 Ų149134.8 Ų134.878%0.7876%0.76SS**  trans84.3121.1172.3-67117.9000120.3
356V22.1Very low25.4Very low117 Ų117134.4 Ų134.471%0.70976%0.757SS**  trans66.4141.3130.5177.70000117.1
357E21.7Very low25.5Very low178 Ų178135.1 Ų135.183%0.83276%0.761SS**  cis-146.7-166.223.7-151.7143-12400113.2
358C22.4Very low25.6Very low109 Ų109130.9 Ų130.974%0.73675%0.752SS**  trans-85129.8171.6-58.80000112.4
359N22.5Very low25.3Very low158 Ų158134.6 Ų134.685%0.84575%0.751SS**  trans176.2-154.3131.2-92.8-18.6000114.2
360E22.8Very low25.2Very low114 Ų114139.2 Ų139.253%0.53375%0.75SS.*  trans-111.4169.2-144.3-38.5-173.975.400114.6K884E360-K884 IonicContact OE1-NZ 2.67Å; E360-K884 PolarHBondContact OE1-NZ 2.72Å
361Q22.9Very low25.2Very low136 Ų136140.8 Ų140.864%0.63676%0.755SS**  trans67.9132.4151.7-74.1178.3-86.100121.5
362E26.3Very low25.3Very low173 Ų173135.9 Ų135.981%0.80875%0.749SS**  trans55.4149.9131.7-65.9156.6-147.200122.3
363G28.1Very low25.5Very low74 Ų74136.4 Ų136.476%0.76375%0.747SS**  trans141.3118.6160.900000115.5
364D38.7Very low26Very low145 Ų145136.9 Ų136.978%0.77574%0.744SS**  trans-72.2-179.3160.6-70.3-74.2000111.7
365Y26.5Very low26.1Very low207 Ų207136 Ų13681%0.81274%0.743SS**  166.6128.8107.7-87.2-53.8000116.3
366V31.1Very low26.2Very low122 Ų122138.8 Ų138.874%0.73974%0.743SS**  trans73.1148.5141.9-172.10000114.3
367V28.9Very low26.3Very low127 Ų127141.5 Ų141.577%0.7775%0.745SS**  cis-154.1162.147.4-153.80000114.1
368V27.7Very low26.6Very low120 Ų120144 Ų14473%0.72775%0.747SS**  trans91.373.6159.3-156.90000120.2
369Q25.2Very low26.7Very low150 Ų150146.7 Ų146.770%0.70175%0.753SS**  60.5138.7112.7-78.3-168.48.500124.8
370R23.9Very low27Very low217 Ų217143.5 Ų143.582%0.81974%0.743SS**  trans85.8144.2151.8-69.2167.4-156.3-158.55.4120
371V24.5Very low27.3Very low133 Ų133143.5 Ų143.581%0.80676%0.755SS**  cis-172153.3-34.6117.10000110.5
372A25.8Very low28.2Very low84 Ų84141.2 Ų141.269%0.69476%0.76SS**  trans64.6101.7160.100000122.6
373D27.1Very low28.3Very low152 Ų152138.3 Ų138.381%0.81376%0.756SS**  67.1-162.3103.7-147.128.2000118.3
374P33Very low28.4Very low90 Ų90146 Ų14658%0.58476%0.762SS**  -127164.3-112.340.8-24.5000117.9
375S25.9Very low27.8Very low102 Ų102145 Ų14571%0.71377%0.765SS**  trans76.4157.5148.686.10000119.8
376R23.6Very low28.2Very low206 Ų206140.7 Ų140.778%0.77777%0.765SS**  trans71.4114.4162.1-67.9179.3169.3-163.31.5120.2
377K24.3Very low27.9Very low175 Ų175137.7 Ų137.776%0.76176%0.759SS**  68.3110.9129.8-59.5175.7-179.8-176.70120.5
378R26.8Very low27.7Very low231 Ų231139.1 Ų139.187%0.87276%0.763SS**  24.7108.5108.4-177-155.4-71.4-148.7-2.3116.8
379L24.4Very low27.9Very low165 Ų165139.6 Ų139.686%0.86477%0.766SS**  trans176.7174.5132.2-102.2146.3000113.1
380S29.3Very low28.6Very low90 Ų90137.8 Ų137.863%0.62977%0.767SS**  trans-101.9175-166.556.60000115.3
381S29.9Very low29Very low114 Ų114131.7 Ų131.780%0.79776%0.763SS**  trans71.7152147.847.40000120.2
382A41.2Very low29.3Very low89 Ų89136.1 Ų136.174%0.73677%0.765SS**  trans-73.2165.7-172.100000114.9
383P28.6Very low29.6Very low112 Ų112138.6 Ų138.673%0.72777%0.766SS**  -118.6160.794.938.3-36000111.5
384R29.3Very low29.8Very low234 Ų234137.7 Ų137.788%0.88376%0.76SS**  53.6142.861.1-78.5-167.1177.4-160.8-0.3113.9
385C26.4Very low29.6Very low124 Ų124142.7 Ų142.784%0.83877%0.767SS**SBendtrans-66.2160.8-164.3-53.30000114.7
386S34.8Very low29.8Very low117 Ų117146.2 Ų146.282%0.81877%0.772SS**SBendtrans67.7174177.677.20000115.3
387G24.2Very low30.2Very low60 Ų60140 Ų14062%0.61977%0.772SS**  trans-80.3173.5-167.900000115.4
388N26.7Very low30.4Very low156 Ų156136 Ų13683%0.83477%0.772SS**  trans74.196.2166.5-50.9-28.3000118
389V31.8Very low30.6Very low131 Ų131135.3 Ų135.379%0.79477%0.769SS**  28136.799.6-177.20000116.5
390P38.2Very low31Very low112 Ų112133.3 Ų133.373%0.72777%0.766SS**  cis-141.2-172.5339.7-19.3000117.8
391A32.8Very low30.9Very low89 Ų89133 Ų13374%0.73676%0.76SS**  trans76.7166.7147.200000117.8
392R32Very low30.9Very low225 Ų225132.2 Ų132.285%0.84976%0.761SS**  cis-158.3164.22.9-140.8167.3-168.1174.93.1107
393L30.4Very low30.4Very low137 Ų137131.8 Ų131.872%0.71776%0.757SS**  179.6155.368.9-92.9113.6000111.2
394I32.3Very low30.4Very low132 Ų132131.8 Ų131.868%0.67776%0.755SS**  trans62.3132.5146.1-69169.8000119.1
395R29.6Very low30.5Very low195 Ų195129.3 Ų129.374%0.73675%0.751SS**  cis-151.4129.4-12.9-104.5179.2-175.9164.12.6107.1
396Q29.2Very low30.6Very low177 Ų177127.6 Ų127.683%0.82774%0.74SS**  77.1139.884.3-70.9179.5-16.200115.9
397G31Very low30.3Very low75 Ų75128.8 Ų128.877%0.77374%0.737SS**  trans88.796.4175.200000114.9
398A29.4Very low30.7Very low91 Ų91133.8 Ų133.875%0.75274%0.744SS**  cis87.1107.18.700000118.3
399R31Very low31.4Very low217 Ų217131.4 Ų131.482%0.81974%0.737SS**  trans69.6158.7160.7-61.6-175.2155.9-174-5.4115.1T401R399-T401 HydrophobicContact CB-CG2 3.99Å; R399-T401 VanDerWaalsContact CD-CG2 3.42Å; R399-T401 HydrophobicContact CG-CG2 3.65Å
400P32.5Very low31.7Very low122 Ų122130.2 Ų130.279%0.79273%0.732SS**  cis-73.3155.611.8-14.131.6000113.7
401T27.7Very low31.5Very low83 Ų83129.8 Ų129.851%0.50973%0.729SS.*  cis67.7133.325.4690000117.8R399R399-T401 HydrophobicContact CB-CG2 3.99Å; R399-T401 VanDerWaalsContact CD-CG2 3.42Å; R399-T401 HydrophobicContact CG-CG2 3.65Å
402A29.7Very low31.3Very low98 Ų98130.9 Ų130.981%0.8173%0.726SS**  trans70.9148.3149.200000117.5
403A30.3Very low31.2Very low81 Ų81131 Ų13167%0.66973%0.727SS**  cis-166.8-155.7-2400000107
404V29.7Very low31.3Very low112 Ų112129.6 Ų129.668%0.67973%0.726SS**  trans68.4113.2131.4156.10000117.5
405K30.9Very low31.3Very low181 Ų181127.3 Ų127.379%0.78773%0.727SS**  trans70114.2150.7-65171.3-163.1175.10116
406S28.8Very low31.2Very low89 Ų89122.3 Ų122.362%0.62272%0.722SS**  cis84.1138.847.476.70000113.5
407L28.9Very low31.3Very low141 Ų141121.7 Ų121.774%0.73872%0.717SS**  trans69.1143.2169.3-55.7158.1000112
408Q31.8Very low31.6Very low165 Ų165122.6 Ų122.677%0.77171%0.709SS**  cis63.3146.645.6-75.7-170.6-38.600113.5
409P41.2Very low31.5Very low106 Ų106120.1 Ų120.169%0.68869%0.688SS**  cis-124.3-105.8-41.930.2-11.2000106.8
410P37.6Very low31.4Very low107 Ų107112.5 Ų112.570%0.69567%0.668SS**  -90.3-135-74.728.4-5000106.7
411P34.2Very low31.4Very low103 Ų103110.1 Ų110.167%0.66965%0.654SS**  cis-135.1141.4-12.343.9-26.2000117
412V28.9Very low31.7Very low111 Ų111109.6 Ų109.667%0.67367%0.665SS**  60.7100.1118.5-178.70000118
413R29.8Very low31.9Very low228 Ų228110.7 Ų110.786%0.8666%0.658SS**  72.7171.8122.1-74.5-170.9-160.3-176.82.4119.3
414P33.6Very low32.2Very low107 Ų107114.2 Ų114.270%0.69566%0.66SS**  cis-131.4-168.6-28.529.4-9.2000112.1
415A31.1Very low32.6Very low85 Ų85114 Ų11470%0.70266%0.66SS**  trans75.5149.4131.400000120.2
416S27.9Very low32.7Very low90 Ų90110.6 Ų110.663%0.62966%0.655SS**  cis-171.3115.1-21.5480000111.6
417F32.5Very low32.8Very low164 Ų164111 Ų11172%0.71965%0.653SS**  trans56-175.1154.7-69.2-97.4000115.7M613F417-M613 VanDerWaalsContact C-CE 3.42Å; F417-M613 VanDerWaalsContact O-CE 3.25Å; F417-M613 WeakPolarHBondContact O-CE 3.37Å
418P35.5Very low33Very low93 Ų93107.1 Ų107.160%0.60464%0.638SS**  cis-97.9153.4-33.28.514.7000109.7
419A28.3Very low33.1Very low39 Ų39104.7 Ų104.732%0.32263%0.625SS.*  59.8135.469.200000113.2D614A419-D614 PolarHBondContact N-OD1 2.62Å
420C29.2Very low32.8Very low58 Ų58102.3 Ų102.339%0.39261%0.61SS.*  -146.1158.756.4-107.50000119.1N615 E616C420-N615 VanDerWaalsContact C-CG 3.42Å; C420-N615 VanDerWaalsContact O-CB 3.26Å; C420-N615 WeakPolarHBondContact O-CB 3.32Å; C420-N615 PolarHBondContact O-OD1 2.75Å; C420-E616 VanDerWaalsContact C-CD 3.45Å; C420-E616 VanDerWaalsContact C-OE1 3.31Å; C420-E616 WeakPolarHBondContact CA-OE2 3.39Å; C420-E616 VanDerWaalsContact CB-CD 3.4Å; C420-E616 WeakPolarHBondContact CB-OE1 3.43Å; C420-E616 WeakPolarHBondContact CB-OE2 3.04Å; C420-E616 PolarHBondContact N-OE2 2.89Å; C420-E616 WeakPolarHBondContact O-CG 3.4Å; C420-E616 PolarHBondContact O-N 2.81Å; C420-E616 VanDerWaalsContact O-N 3.16Å; C420-E616 VanDerWaalsContact O-OE1 3.07Å
421S31.8Very low32.9Very low71 Ų71103.2 Ų103.250%0.49762%0.619SS.*  trans67.8150.3130.589.40000122.8N615 E616S421-N615 PolarHBondContact N-OD1 3.12Å; S421-E616 PolarHBondContact OG-OE1 3.38Å
422G34.2Very low32.9Very low73 Ų73103.5 Ų103.575%0.75362%0.619SS**  trans8834.6179.500000114.8
423N34Very low33.2Very low121 Ų121101.7 Ų101.765%0.64762%0.622SS**  55108.380.1-86.30.2000116.4
424H36.9Very low33.2Very low155 Ų15596.9 Ų96.972%0.71862%0.62SS**  trans63.2174.2135.8-67.8-60000119.8
425P38Very low33.7Very low106 Ų10699.5 Ų99.569%0.68863%0.626SS**  cis-108.9151-24.210.912.5000110.6
426T32.5Very low33.8Very low110 Ų110100.1 Ų100.168%0.67562%0.622SS**  49.3154.772.464.50000116.4
427V32.1Very low34.5Very low97 Ų97101.8 Ų101.859%0.58863%0.628SS**  trans85.5147.9168.9-169.90000117.4L638V427-L638 HydrophobicContact CG1-CD1 4.21Å; V427-L638 HydrophobicContact CG1-CD2 4.03Å; V427-L638 HydrophobicContact CG1-CG 3.56Å
428S31.3Very low34.7Very low60 Ų6098.3 Ų98.342%0.4262%0.622SS.*  -172137.8-85.953.80000114.5L638 N639S428-L638 CarbonylContact O-C 3.59Å; S428-L638 VanDerWaalsContact O-CA 3.25Å; S428-L638 WeakPolarHBondContact O-CA 3.4Å; S428-L638 WeakPolarHBondContact OG-CD2 3.08Å; S428-N639 PolarHBondContact O-N 3.31Å
429K35.2Very low34.4Very low114 Ų11497.4 Ų97.450%0.49662%0.618SS.*  trans63.9166.5166.8-84.2172.9167.4-1650117.7N639 V640K429-N639 VanDerWaalsContact CD-OD1 3.25Å; K429-N639 WeakPolarHBondContact CD-OD1 3.35Å; K429-N639 PolarHBondContact NZ-OD1 2.95Å; K429-V640 VanDerWaalsContact CD-O 3.22Å; K429-V640 WeakPolarHBondContact CD-O 3.47Å; K429-V640 WeakPolarHBondContact CE-O 3.39Å; K429-V640 PolarHBondContact NZ-O 2.84Å
430P34.3Very low34.5Very low57 Ų57103.5 Ų103.537%0.3764%0.64SS.*  cis-120.5-159.9-7.543.5-30.9000112.7T432 N639P430-T432 WeakPolarHBondContact CD-OG1 3.46Å; P430-T432 HydrophobicContact CG-CG2 4.4Å; P430-T432 VanDerWaalsContact CG-OG1 3.31Å; P430-T432 WeakPolarHBondContact CG-OG1 3.47Å; P430-T432 PolarHBondContact O-N 2.65Å; P430-N639 WeakPolarHBondContact CD-O 3.21Å; P430-N639 VanDerWaalsContact CG-O 3.24Å; P430-N639 WeakPolarHBondContact CG-O 3.33Å
431S39.2Very low34.5Very low125 Ų125108.1 Ų108.187%0.87465%0.649SS**SBendtrans-69.669.5166.654.40000112.2
432T35Very low34.5Very low110 Ų110106 Ų10668%0.67564%0.639SS**  trans-151.251.9171.452.70000111.1P430P430-T432 WeakPolarHBondContact CD-OG1 3.46Å; P430-T432 HydrophobicContact CG-CG2 4.4Å; P430-T432 VanDerWaalsContact CG-OG1 3.31Å; P430-T432 WeakPolarHBondContact CG-OG1 3.47Å; P430-T432 PolarHBondContact O-N 2.65Å
433G35.5Very low34.2Very low72 Ų72108.3 Ų108.374%0.74264%0.638SS**  trans56.5-159168.100000116.8
434P30.2Very low33.9Very low127 Ų127111.3 Ų111.383%0.82565%0.646SS**  cis-122.1-169.9-17.434.7-17000113
435M42.8Very low33.6Very low163 Ų163107.1 Ų107.180%0.80364%0.638SS**  trans-44.2173.8153.6-10716555.700114.3
436P33Very low33.1Very low98 Ų98109 Ų10964%0.63664%0.638SS**  cis-144179.5-0.429.3-3.9000117.1
437V42.8Very low32.9Very low124 Ų124110.4 Ų110.475%0.75264%0.638SS**  -0.2137.5120.7-156.50000114.2
438P36.8Very low32.8Very low92 Ų92114 Ų11460%0.59765%0.649SS**  -166.617975.445.1-22.2000122.1
439S29.1Very low32.6Very low74 Ų74114.5 Ų114.552%0.51766%0.656SS.*  trans89.1110.2135.666.30000122.6
440Q30.4Very low32.4Very low167 Ų167117.4 Ų117.478%0.7867%0.669SS**  -114.996115.7-69.1-159.38.600108.8
441R30.5Very low32.5Very low155 Ų155125.3 Ų125.359%0.58569%0.691SS**  trans-68.7131.2-178.2-68.3155.2177170.4-3.2109.6D630 V631R441-D630 PolarHBondContact NH1-O 2.72Å; R441-V631 PolarHBondContact NH1-O 2.63Å
442G30.4Very low32Very low26 Ų26128.2 Ų128.227%0.26868%0.683SS.*  trans-171.1-84.6-178.100000114.9F444 A445 Q446G442-F444 PolarHBondContact O-N 3.36Å; G442-A445 CarbonylContact O-C 3.46Å; G442-A445 WeakPolarHBondContact O-CA 3.4Å; G442-A445 PolarHBondContact O-N 2.65Å; G442-Q446 PolarHBondContact O-N 3.19Å
443T28.4Very low31.7Very low122 Ų122128.2 Ų128.275%0.74868%0.676SS**THydrogen-bonded Turntrans-72.4-16.4-150.2-24.30000117.2
444F27.5Very low31.3Very low183 Ų183133.7 Ų133.780%0.80367%0.674SS**THydrogen-bonded Turntrans-93.3-23.6167.4-148-89.9000112.6G442G442-F444 PolarHBondContact O-N 3.36Å
445A30Very low31.4Very low68 Ų68136.3 Ų136.356%0.56268%0.675SS**THydrogen-bonded Turntrans-87.1-1.2176.900000113.6G442G442-A445 CarbonylContact O-C 3.46Å; G442-A445 WeakPolarHBondContact O-CA 3.4Å; G442-A445 PolarHBondContact O-N 2.65Å
446Q28.7Very low31Very low145 Ų145132.6 Ų132.668%0.67867%0.671SS**THydrogen-bonded Turntrans-115-1.7174.2-68.8-1671.900114.4G442G442-Q446 PolarHBondContact O-N 3.19Å
447M28.3Very low31.2Very low139 Ų139132 Ų13269%0.68567%0.674SS**THydrogen-bonded Turntrans-81.9-25163.7-72.7-169.8-156.500112.8A449M447-A449 VanDerWaalsContact C-N 3.3Å
448E30.1Very low31Very low174 Ų174133.2 Ų133.281%0.81368%0.675SS**SBendtrans-79.1-8.7171.6-71.5-168.9124.100113.9
449A27Very low30.7Very low69 Ų69139 Ų13957%0.5768%0.684SS**SBendtrans-124.811.9-165.700000116.4M447M447-A449 VanDerWaalsContact C-N 3.3Å
450K31.2Very low30.7Very low175 Ų175141 Ų14176%0.76170%0.699SS**  trans-155.5101.8165.3-99.8177-179.1179.30107.9
451R34.7Very low30.7Very low224 Ų224136.5 Ų136.585%0.84570%0.697SS**  cis66.622.116-148.6-144168.8146.2-0.4116.3
452W28.9Very low30.5Very low186 Ų186137.7 Ų137.771%0.70571%0.709SS**  trans-125.1102.1137.3-121.4-94.1000104
453E28.5Very low30.2Very low110 Ų110142 Ų14251%0.51473%0.731SS.*  64.4135.287-72.9-175.5-163.400112.1
454R28.1Very low30Very low187 Ų187143.9 Ų143.971%0.70674%0.735SS**  trans69.8122.3174.6-49.6123.1-160.6-103.44.8112.6
455E32.5Very low29.9Very low181 Ų181140.6 Ų140.685%0.84673%0.729SS**  cis-146.61622.9-88.2120.3-162.200109.5
456A35Very low29.6Very low86 Ų86142.9 Ų142.971%0.71174%0.737SS**  cis-170.3140.5-26.500000109.6
457A36.9Very low29.5Very low85 Ų85141.7 Ų141.770%0.70274%0.739SS**  trans59.4139163.800000117.3
458I37.4Very low29.4Very low150 Ų150141.4 Ų141.477%0.76975%0.746SS**  cis-136.8116.316.4-72.8-179.9000106.2
459R31Very low29.3Very low212 Ų212143.5 Ų143.580%0.875%0.746SS**  64.5105.984.7-69.5178.7-170.4-175.14.3112.7
460S28.5Very low29.5Very low117 Ų117146.2 Ų146.282%0.81876%0.758SS**  87.8144.670.971.20000114.4
461G30.8Very low29.3Very low72 Ų72142.2 Ų142.274%0.74275%0.748SS**  trans114.7104.1-175.500000109.8
462Q26.5Very low29Very low181 Ų181140.2 Ų140.285%0.84675%0.748SS**  cis63.510536.6-82.5-168.6-1500115.3
463T25.1Very low29.1Very low117 Ų117138 Ų13872%0.71875%0.75SS**  76.5107.8120-51.10000119.6
464L24Very low29.2Very low161 Ų161138.7 Ų138.784%0.84376%0.762SS**  trans78.7174.3143.5-136.674.6000118.7
465V25.1Very low29.2Very low113 Ų113134.5 Ų134.569%0.68577%0.768SS**  trans74.284.4162-1780000118.1
466T24.3Very low29.1Very low117 Ų117129.1 Ų129.172%0.71876%0.761SS**  51.1151.8127.460.50000124.4
467T24.8Very low29Very low119 Ų119131.4 Ų131.473%0.7377%0.766SS**  trans84.1144143.131.90000122.5
468T26.4Very low29.3Very low134 Ų134132.9 Ų132.982%0.82277%0.768SS**  trans75.1120.8153.738.30000122.4
469R29.6Very low29Very low217 Ų217131.2 Ų131.282%0.81977%0.767SS**  trans-61.2162.6154.3-68.3167162.9-175-3.4111V471R469-V471 HydrophobicContact CB-CG2 3.86Å; R469-V471 HydrophobicContact CG-CG2 4.01Å
470P29.8Very low29Very low126 Ų126126.4 Ų126.482%0.81876%0.761SS**  -105.7165.260.4-10.531.3000114.1
471V28Very low29Very low92 Ų92128.3 Ų128.356%0.55876%0.757SS**  cis86.1136.412.9-174.80000115.3R469R469-V471 HydrophobicContact CB-CG2 3.86Å; R469-V471 HydrophobicContact CG-CG2 4.01Å
472E27.1Very low29Very low181 Ų181129 Ų12985%0.84676%0.756SS**  trans74135.1-175.9-35.5-164.3145.400113.4
473D32.2Very low29.3Very low140 Ų140126.3 Ų126.375%0.74975%0.752SS**  cis-135168.220.6-141.8-30.8000115.6
474T29.3Very low29.5Very low124 Ų124126.7 Ų126.776%0.76175%0.75SS**  trans-41171.1173.749.80000119.1
475A29Very low29.9Very low100 Ų100127.1 Ų127.183%0.82675%0.747SS**  cis-174.8164.4-2700000108.7
476G31.5Very low30.4Very low67 Ų67124.8 Ų124.869%0.69175%0.746SS**  trans150.575.9166.900000119.8
477T31.5Very low30.8Very low134 Ų134129 Ų12982%0.82275%0.749SS**  trans20.6116.8144.449.10000122.2
478P43.1Very low31.2Very low116 Ų116129.7 Ų129.775%0.75375%0.748SS**  -68.6160.1125.235.9-36.5000110
479P31.8Very low31.4Very low115 Ų115129 Ų12975%0.74775%0.749SS**  -142.7-161.569.330-3.8000113.3
480V30.6Very low31.4Very low112 Ų112122.8 Ų122.868%0.67974%0.744SS**  -166.815660.3160.50000112.5
481E28.8Very low31.3Very low156 Ų156124.5 Ų124.573%0.72975%0.746SS**  trans-14.4149.1167.6-65119.5-126.600121.2
482A31.1Very low31.8Very low87 Ų87127.3 Ų127.372%0.71976%0.763SS**  cis87.5170.930.500000116
483T31.9Very low32Very low125 Ų125122.8 Ų122.877%0.76777%0.765SS**  trans87.8143.8-178.773.50000118.1
484N30.4Very low31.9Very low124 Ų124119.4 Ų119.466%0.66376%0.763SS**  cis-168.1158.5-35.9-128.1-29.3000113.5
485Q32.4Very low31.9Very low170 Ų170122.5 Ų122.579%0.79477%0.769SS**  trans63.7146.4152.1-61.7155.140.400120.1
486G34Very low32Very low64 Ų64126.5 Ų126.566%0.6677%0.771SS**  cis155.8169.3-1300000115.9
487R32.7Very low31.9Very low206 Ų206130 Ų13078%0.77778%0.778SS**  trans84.8143.5166.1-58.5178.7171166.7-2.4118.7
488N33.5Very low31.8Very low133 Ų133126.6 Ų126.671%0.71177%0.77SS**  cis-167.3167.1-13.5-110.61.5000113.1
489S32.1Very low31.5Very low119 Ų119127 Ų12783%0.83277%0.773SS**  trans71.6142.2158.364.30000119.9
490A29.4Very low31.2Very low88 Ų88125.8 Ų125.873%0.72777%0.772SS**  cis-166170.4-15.600000112.6
491L27.5Very low30.9Very low162 Ų162129.9 Ų129.985%0.84878%0.78SS**  trans84.1150.5164.2-57.9172.7000120
492T37.1Very low30.8Very low151 Ų151128.7 Ų128.793%0.92678%0.784SS**  trans63.7127.6173.957.70000117.3
493G31.5Very low30.5Very low85 Ų85133 Ų13388%0.87679%0.789SS**  trans-125.5-169.5-178.300000113.2
494G30.4Very low30.6Very low69 Ų69132.1 Ų132.171%0.71179%0.785SS**  cis177176.1-0.300000112.3
495E29.2Very low30.3Very low190 Ų190131.5 Ų131.589%0.88879%0.791SS**  trans65.2137167.8-62.5165.4175.900116.2
496E30.4Very low29.9Very low184 Ų184130.3 Ų130.386%0.8679%0.789SS**  cis-148.8172.4-3-134-177.9174.900112.7
497V31.2Very low29.8Very low140 Ų140134.8 Ų134.885%0.84880%0.798SS**  trans-97.6158.1-168179.30000111.5
498G29.5Very low29.5Very low63 Ų63131.2 Ų131.265%0.64980%0.798SS**  trans-81-155.8172.200000113.9
499P35.7Very low29.5Very low125 Ų125130.5 Ų130.581%0.81280%0.801SS**  cis-139.6176.22.343.2-25.8000116.5
500A25.1Very low29.3Very low88 Ų88129.5 Ų129.573%0.72779%0.794SS**  trans62.1125.4145.600000123.9
501K23.9Very low29.3Very low198 Ų198133 Ų13386%0.86180%0.799SS**  trans78.8151.6151.1-69.2-177.7175.2179.40120.6
502V27.6Very low29.5Very low132 Ų132129.8 Ų129.880%0.880%0.796SS**  trans66.5105.6172-1510000113.3
503Q24.8Very low29.2Very low178 Ų178130.1 Ų130.183%0.83279%0.792SS**  70.1150.351.3-130.1-167.418.700113.1
504P33.6Very low29.3Very low106 Ų106134.1 Ų134.169%0.68879%0.792SS**  -122.7-169.5-76.441.2-30.3000112.7
505S24.5Very low29.2Very low111 Ų111139.7 Ų139.778%0.77680%0.797SS**  trans130.7153142.973.90000117.9
506L24.9Very low29Very low145 Ų145135.8 Ų135.876%0.75979%0.788SS**  trans-34.3142.3-175.5-63.273.2000118.6
507N30.9Very low28.9Very low158 Ų158133.3 Ų133.385%0.84579%0.788SS**  -168171.5105.1-95.7-38.9000114.1
508V26Very low28.6Very low130 Ų130134 Ų13479%0.78878%0.779SS**  trans-152.5161-157.6175.50000107.9
509P35.1Very low28.4Very low118 Ų118136.1 Ų136.177%0.76678%0.78SS**  cis-124.3-167.5-22.334-14.6000113.4
510S26.1Very low27.8Very low98 Ų98135.5 Ų135.569%0.68577%0.768SS**  125.6143.2126.9-153.80000118.4
511I29.8Very low27.7Very low162 Ų162140.6 Ų140.683%0.83177%0.769SS**  trans28.1112.3157.7-63.2165.2000118.6
512A31.4Very low27.6Very low94 Ų94136.7 Ų136.778%0.77775%0.754SS**  trans-157.3154.8136.800000110.4
513D31.7Very low27.6Very low158 Ų158136 Ų13685%0.84575%0.75SS**  trans-60.8134.6178.4-57.4-94000113.7
514L33.2Very low27.5Very low169 Ų169134.6 Ų134.689%0.88574%0.743SS**  -163.3149.5128.3-106.9163.9000112.5
515K28.4Very low27.1Very low187 Ų187137.6 Ų137.681%0.81375%0.745SS**  trans-63.2145.9-172-67.1160.9-178.6169.40111.6P517K515-P517 WeakPolarHBondContact O-CD 3.16Å
516P25.7Very low27.1Very low107 Ų107136.9 Ų136.970%0.69574%0.74SS**  trans-70.9125.7-16227-35.9000113.6K518P516-K518 PolarHBondContact O-N 2.78Å
517P27.1Very low27.2Very low132 Ų132139 Ų13986%0.85774%0.743SS**  trans-77.965.7168.232.8-33.8000111.3K515K515-P517 WeakPolarHBondContact O-CD 3.16Å
518K25.9Very low26.9Very low155 Ų155138.9 Ų138.967%0.67474%0.742SS**  trans59.497.3161.3-62.3174.5178174.10117.8P516 M520P516-K518 PolarHBondContact O-N 2.78Å; K518-M520 HydrophobicContact CB-CG 4.26Å; K518-M520 HydrophobicContact CD-CE 4.17Å; K518-M520 HydrophobicContact CD-CG 4.29Å; K518-M520 HydrophobicContact CD-SD 3.98Å; K518-M520 HydrophobicContact CG-CG 4.11Å; K518-M520 HydrophobicContact CG-SD 4.29Å; K518-M520 PolarHBondContact O-N 3.4Å
519T24.9Very low26.9Very low108 Ų108137.8 Ų137.866%0.66374%0.736SS**  -61.2110.7112.1410000110Y521T519-Y521 HydrophobicContact CG2-CD2 3.88Å; T519-Y521 HydrophobicContact CG2-CE2 3.94Å
520M22.9Very low26.8Very low112 Ų112141.3 Ų141.355%0.55274%0.739SS**  trans-131.6111.3146.9-73.2-173.4-11.100105.5K518K518-M520 HydrophobicContact CB-CG 4.26Å; K518-M520 HydrophobicContact CD-CE 4.17Å; K518-M520 HydrophobicContact CD-CG 4.29Å; K518-M520 HydrophobicContact CD-SD 3.98Å; K518-M520 HydrophobicContact CG-CG 4.11Å; K518-M520 HydrophobicContact CG-SD 4.29Å; K518-M520 PolarHBondContact O-N 3.4Å
521Y24.2Very low26.9Very low195 Ų195141.9 Ų141.977%0.76574%0.743SS**  cis51.978.820.2-77.2-98.9000112.5T519T519-Y521 HydrophobicContact CG2-CD2 3.88Å; T519-Y521 HydrophobicContact CG2-CE2 3.94Å
522H22Very low26.9Very low115 Ų115137.2 Ų137.253%0.53272%0.723SS.*  trans-126.890.1141.8-91.8-89.7000108.9E524H522-E524 IonicContact CE1-OE2 2.85Å; H522-E524 PolarHBondContact CE1-OE2 2.78Å; H522-E524 VanDerWaalsContact ND1-CD 3.3Å; H522-E524 WeakPolarHBondContact ND1-CG 2.99Å; H522-E524 IonicContact ND1-OE2 3.42Å; H522-E524 PolarHBondContact ND1-OE2 2.68Å; H522-E524 PolarHBondContact O-N 2.72Å
523V25.8Very low26.7Very low119 Ų119135.8 Ų135.872%0.72171%0.707SS**  trans-81.569141.1-177.80000106.5K525V523-K525 HydrophobicContact CG1-CB 4.1Å; V523-K525 HydrophobicContact CG1-CD 4Å; V523-K525 HydrophobicContact CG1-CG 4.2Å; V523-K525 VanDerWaalsContact O-CB 3.29Å; V523-K525 WeakPolarHBondContact O-CB 3.28Å
524E22.8Very low26.4Very low148 Ų148131.5 Ų131.569%0.69269%0.687SS**  trans-112.5100.3152.3-75.3-176.4165.800104.7H522H522-E524 IonicContact CE1-OE2 2.85Å; H522-E524 PolarHBondContact CE1-OE2 2.78Å; H522-E524 VanDerWaalsContact ND1-CD 3.3Å; H522-E524 WeakPolarHBondContact ND1-CG 2.99Å; H522-E524 IonicContact ND1-OE2 3.42Å; H522-E524 PolarHBondContact ND1-OE2 2.68Å; H522-E524 PolarHBondContact O-N 2.72Å
525K26.2Very low26.1Very low169 Ų169127 Ų12774%0.73567%0.669SS**  cis61.499.430.3-136-165.4-152.9177.70110.2V523V523-K525 HydrophobicContact CG1-CB 4.1Å; V523-K525 HydrophobicContact CG1-CD 4Å; V523-K525 HydrophobicContact CG1-CG 4.2Å; V523-K525 VanDerWaalsContact O-CB 3.29Å; V523-K525 WeakPolarHBondContact O-CB 3.28Å
526S25Very low26Very low95 Ų95125 Ų12566%0.66466%0.663SS**  trans74.4117.2170.181.90000118.2
527K26.3Very low26.2Very low189 Ų189127.4 Ų127.482%0.82266%0.663SS**  trans70.1158.6152-52.3159.1-175.5176.80113.9
528L23.8Very low26.2Very low157 Ų157129.9 Ų129.982%0.82267%0.665SS**  cis-122.3152.97.7-86.582.8000113.8
529T26Very low26.3Very low107 Ų107126.8 Ų126.866%0.65666%0.663SS**  trans-44.3151.6145.248.70000115
530K33.1Very low26.7Very low191 Ų191129.7 Ų129.783%0.8367%0.669SS**SBendtrans45.5101.4142.6-59.4178.5178.6-175.80118.5
531S28.3Very low27.1Very low110 Ų110130.3 Ų130.377%0.76968%0.679SS**  trans61.2-177.1149.579.90000117.4
532P31.2Very low27.6Very low65 Ų65127.3 Ų127.342%0.42268%0.683SS.*  cis-141.2168.8-19.133.3-12000117.6S546P532-S546 VanDerWaalsContact CG-CA 3.49Å; P532-S546 WeakPolarHBondContact CG-O 3.06Å
533S25.7Very low28Very low63 Ų63125.7 Ų125.744%0.44169%0.69SS.*  trans71.1120.213672.50000127.7
534T25.7Very low28.1Very low69 Ų69124.4 Ų124.442%0.42369%0.685SS.*  46.4153126.566.40000124.2A543 C544 R545T534-A543 WeakPolarHBondContact CG2-O 3.29Å; T534-C544 HydrophobicContact CG2-CB 4.46Å; T534-R545 HydrophobicContact CG2-CG 4.14Å; T534-R545 WeakPolarHBondContact OG1-CG 3.33Å; T534-R545 PolarHBondContact OG1-NE 3.13Å; T534-R545 VanDerWaalsContact OG1-NE 3.1Å
535S26.3Very low28.6Very low73 Ų73124.9 Ų124.951%0.5168%0.681SS.*  cis-167.5176.512.6300000111.8R545S535-R545 PolarHBondContact OG-NH2 2.67Å
536E27.3Very low28.8Very low147 Ų147120 Ų12069%0.68767%0.668SS**  trans90137.7164.7-54.2-156140.200116.5
537K28.8Very low29.1Very low156 Ų156119.6 Ų119.668%0.67867%0.665SS**  cis-152.9143.22.9-124.2157.5-172147.30112
538M28Very low29.3Very low184 Ų184118.1 Ų118.191%0.90667%0.665SS**SBendtrans63.9123.9165.7-59.6171.574.600117.3
539S29.1Very low29.7Very low91 Ų91118 Ų11864%0.63667%0.665SS**SBendcis-142.1150.43.753.30000113.5
540H33.2Very low29.9Very low169 Ų169118.8 Ų118.878%0.78267%0.669SS**SBendtrans60.460.7173-49.4-70.2000117.8
541T29.6Very low29.8Very low125 Ų125114.7 Ų114.777%0.76767%0.671SS**  70.2140.775.764.90000116.6
542P34.6Very low29.9Very low131 Ų131116.4 Ų116.485%0.85168%0.677SS**  cis-114.3-15620.6-3.731.1000116.3
543A32.1Very low29.8Very low82 Ų82116.7 Ų116.768%0.67869%0.692SS**  cis-151.4-133.4-10.800000113.8T534T534-A543 WeakPolarHBondContact CG2-O 3.29Å
544C27.9Very low29.8Very low91 Ų91120.1 Ų120.162%0.61571%0.71SS**  trans-153.9172.7-154.2-75.90000115.3T534T534-C544 HydrophobicContact CG2-CB 4.46Å
545R31.5Very low29.8Very low158 Ų158122 Ų12260%0.59673%0.726SS**  cis-169.2-178.8-17.4-100.3170.2-172.91693.4109.2T534 S535T534-R545 HydrophobicContact CG2-CG 4.14Å; T534-R545 WeakPolarHBondContact OG1-CG 3.33Å; T534-R545 PolarHBondContact OG1-NE 3.13Å; T534-R545 VanDerWaalsContact OG1-NE 3.1Å; S535-R545 PolarHBondContact OG-NH2 2.67Å
546S32.1Very low30.2Very low68 Ų68123.6 Ų123.648%0.47674%0.735SS.*  cis-163.6-168.3-19.8620000107.1P532P532-S546 VanDerWaalsContact CG-CA 3.49Å; P532-S546 WeakPolarHBondContact CG-O 3.06Å
547S30.9Very low30Very low85 Ų85122 Ų12259%0.59474%0.739SS**  cis178.1166-11.434.80000109
548L30.8Very low29.9Very low158 Ų158125.6 Ų125.683%0.82775%0.748SS**  cis-174156.1-18.9-93.2169.3000113.7
549L31Very low29.9Very low155 Ų155123 Ų12381%0.81274%0.738SS**  trans83.7-175146.8-73.8170.1000127.9
550T30.2Very low29.8Very low123 Ų123127.7 Ų127.776%0.75575%0.747SS**  trans-121.6167.9-139.247.50000119.4
551A30.7Very low29.7Very low105 Ų105125.7 Ų125.787%0.86875%0.746SS**  trans153-173.5135.900000116.3
552T31.6Very low29.7Very low147 Ų147125.4 Ų125.490%0.90275%0.748SS**  trans-124.6148.6-16453.60000116.1
553G29Very low29.7Very low71 Ų71124.6 Ų124.673%0.73274%0.743SS**  trans159.8123.3154.500000120.3
554V25.9Very low30Very low135 Ų135125.3 Ų125.382%0.81874%0.742SS**  46.5112.3128.5-173.20000121.8
555S26.1Very low30.2Very low108 Ų108126.8 Ų126.876%0.75575%0.751SS**  trans68.7-172.8145.1-51.80000118.6
556P33.6Very low30.1Very low107 Ų107124.2 Ų124.270%0.69576%0.757SS**  -138.3168.6-87.543.8-27.5000116.9
557C24.5Very low29.8Very low114 Ų114126.9 Ų126.977%0.7778%0.776SS**  trans55.4151.4145.6-67.80000122.5
558R26Very low29.7Very low230 Ų230126.8 Ų126.887%0.86878%0.78SS**  trans69.8156.7160.6-66.2174.3166.9165-2.2116.8
559D27.2Very low29.6Very low130 Ų130126.6 Ų126.670%0.69578%0.779SS**  cis-175.5163.7-33-102.1-20.5000107.1
560K26.5Very low29.4Very low189 Ų189125.3 Ų125.382%0.82278%0.778SS**  trans91.2116.4169.4-57.2158.3-173.1178.80115
561V32Very low29.5Very low127 Ų127123.6 Ų123.677%0.7778%0.777SS**  cis79.6115.727.7-171.40000114.7
562C29Very low29.3Very low119 Ų119123.1 Ų123.180%0.80477%0.767SS**  178.2158.2124.7-103.40000111.7
563P35.2Very low29.4Very low115 Ų115122.8 Ų122.875%0.74776%0.76SS**  cis-132.4158.4-13.438-21.7000115.7
564S38.2Very low29.3Very low96 Ų96122.7 Ų122.767%0.67176%0.759SS**  trans-81.1176165.2-40.90000111.8
565P33Very low29.4Very low123 Ų123124.3 Ų124.380%0.79976%0.757SS**  -137.1137.783.921.9-0.8000113.7
566S28.5Very low29.7Very low103 Ų103123.6 Ų123.672%0.7275%0.752SS**  79101.261.4-58.20000114.9
567S26.5Very low29.4Very low124 Ų124126.2 Ų126.287%0.86776%0.755SS**  168.9159119.351.90000115
568A28.4Very low29.6Very low83 Ų83127.2 Ų127.269%0.68675%0.753SS**  trans75.399.8149.600000122.6
569L28Very low29.7Very low155 Ų155123.5 Ų123.581%0.81275%0.745SS**  82.5104.7119.5-67.4174.2000122.1
570T28.3Very low29.8Very low127 Ų127123.2 Ų123.278%0.77974%0.741SS**  54.795.2126.861.30000119.9
571A31.7Very low29.9Very low88 Ų88122.1 Ų122.173%0.72774%0.736SS**  -170.9121.410500000107.5
572S26.6Very low30.1Very low95 Ų95122.1 Ų122.166%0.66474%0.739SS**  53.3101.961.477.80000112.1
573D32.4Very low29.7Very low140 Ų140124.2 Ų124.275%0.74974%0.741SS**  cis-139.2163.55.1-60.4-61.7000107.5
574G28.9Very low29.1Very low69 Ų69123.6 Ų123.671%0.71174%0.74SS**  cis81.2145.33400000109.8
575E27.7Very low28.7Very low169 Ų169126.8 Ų126.879%0.7975%0.749SS**  cis-140170.13.6-66.9-176.811400110.4
576S31.7Very low28.3Very low92 Ų92126.3 Ų126.364%0.64375%0.745SS**  trans-35.3159.6133.141.70000111.9
577E26.3Very low28.1Very low162 Ų162130.6 Ų130.676%0.75775%0.751SS**  -159.4166.961.1-79.7-176.1152.700110.1
578D30.1Very low28Very low136 Ų136128.4 Ų128.473%0.72774%0.741SS**  9.7160124.1-51.1-90.1000118.7
579E27.2Very low27.9Very low152 Ų152134.9 Ų134.971%0.7175%0.748SS**  cis-161.7173.732.8-152.5-179.9-157.300112.6
580M29.5Very low28.1Very low124 Ų124132.1 Ų132.161%0.61174%0.741SS**  trans36.7128.2148.5-88-170.7-111.900123.6
581K29.3Very low28.2Very low165 Ų165134 Ų13472%0.71774%0.735SS**  35.7139.1123-64.1176.3-177.4165.10121.2
582P35.4Very low28Very low127 Ų127139.6 Ų139.683%0.82574%0.737SS**  trans-72.3143.8138.333.7-31000109.2
583L22Very low27.9Very low163 Ų163139.7 Ų139.785%0.85374%0.738SS**  cis-82.1151.812.3-61.8149.8000112.8
584S22.5Very low27.5Very low103 Ų103140.5 Ų140.572%0.7274%0.737SS**  cis-166.7-179-1.843.70000111.7
585L28.7Very low27.4Very low163 Ų163142.8 Ų142.885%0.85374%0.737SS**  trans-31.7143168.1-73.5164000114.8
586P25.1Very low27.4Very low112 Ų112142.5 Ų142.573%0.72774%0.741SS**  -152.9176.765.242-22.1000119
587F23.6Very low27.5Very low194 Ų194142.7 Ų142.785%0.85174%0.74SS**  trans25.7105.2151.2-83.7-101.9000122.3
588A25Very low27.7Very low78 Ų78139.1 Ų139.165%0.64574%0.738SS**  56.9131.7111.500000123.4
589R26.8Very low27.7Very low219 Ų219139.4 Ų139.483%0.82674%0.74SS**  trans83.8119.4161.5-57.7161.4178167.5-0.5114.7
590S32.5Very low27.6Very low96 Ų96143.2 Ų143.267%0.67175%0.747SS**  cis76.9129.342-173.60000114.5
591Y28.4Very low27.4Very low168 Ų168141.7 Ų141.766%0.65975%0.745SS**  trans155.9154.2133.5-82.4-50.9000109.1
592R28.5Very low27.6Very low204 Ų204139.9 Ų139.977%0.7775%0.748SS**  cis-149.3156.46.2-116.7147.1-156.4174.33.4105.4
593S23.8Very low27.1Very low98 Ų98143 Ų14369%0.68574%0.743SS**  cis173.6153.648.8-120.30000106.1
594Q25.6Very low27.4Very low157 Ų157145 Ų14573%0.73474%0.739SS**  cis-140.5160.78.6-62.4-169.7-9.100111
595T26.2Very low27.4Very low116 Ų116146.3 Ų146.371%0.71274%0.743SS**  trans50.9129148.252.40000120.9
596L27.4Very low27.4Very low163 Ų163145.1 Ų145.185%0.85373%0.733SS**  cis-139.4149.2-2.2-98.9147.5000110.3
597P34.6Very low27.2Very low97 Ų97144.7 Ų144.763%0.6373%0.73SS**  trans-124.3170.8-156.743.7-31.6000115.4
598A29.9Very low27.3Very low87 Ų87139.8 Ų139.872%0.71972%0.715SS**  trans59.2-155.914800000115.6R600A598-R600 PolarHBondContact O-N 3.32Å
599N28.8Very low27Very low142 Ų142140.9 Ų140.976%0.75971%0.714SS**  trans53.555.7151.4-63.7-11.7000118
600R25.9Very low26.8Very low231 Ų231136.9 Ų136.987%0.87271%0.705SS**  -158.7135.2100.5-97.2141-177.8178.9-2.9109.6A598A598-R600 PolarHBondContact O-N 3.32Å
601V25.3Very low26.1Very low93 Ų93142 Ų14256%0.56472%0.715SS**  58119.579.71760000108.9R603V601-R603 HydrophobicContact CG1-CG 4.42Å; V601-R603 HydrophobicContact CG2-CG 4.49Å
602V34.2Very low25.7Very low127 Ų127137.4 Ų137.477%0.7771%0.707SS**  cis-117.7128.233.3-178.80000109.6
603R25.4Very low25.3Very low192 Ų192132.3 Ų132.373%0.72569%0.693SS**  75.215654.2-79-175.3170.1172.1-4.6114.5V601V601-R603 HydrophobicContact CG1-CG 4.42Å; V601-R603 HydrophobicContact CG2-CG 4.49Å
604R27.4Very low25.6Very low206 Ų206132.2 Ų132.278%0.77769%0.685SS**  trans61.8101.3158.6-78176.4175.7160.3-5.4117.7
605T23Very low25.6Very low129 Ų129128.6 Ų128.679%0.79167%0.671SS**  57.8-179.8127.855.10000117.9
606E28.5Very low25.6Very low139 Ų139127.2 Ų127.265%0.6566%0.656SS**  trans-59.4159.6145.1-60.2173.4128.700108.7V608E606-V608 HydrophobicContact CB-CB 3.69Å; E606-V608 HydrophobicContact CB-CG2 3.94Å; E606-V608 HydrophobicContact CG-CB 4.3Å; E606-V608 HydrophobicContact CG-CG2 4.08Å; E606-V608 VanDerWaalsContact OE1-CG2 3.31Å; E606-V608 WeakPolarHBondContact OE1-CG2 3.5Å
607P21.3Very low25.6Very low103 Ų103128 Ų12867%0.66966%0.658SS**  -118.9140.496.9-4.123.5000111.5V609P607-V609 HydrophobicContact CB-CB 3.67Å; P607-V609 HydrophobicContact CB-CG2 4.03Å
608V25.2Very low25.2Very low90 Ų90127.4 Ų127.455%0.54565%0.649SS.*  cis35.446.63.5-162.30000114.2E606E606-V608 HydrophobicContact CB-CB 3.69Å; E606-V608 HydrophobicContact CB-CG2 3.94Å; E606-V608 HydrophobicContact CG-CB 4.3Å; E606-V608 HydrophobicContact CG-CG2 4.08Å; E606-V608 VanDerWaalsContact OE1-CG2 3.31Å; E606-V608 WeakPolarHBondContact OE1-CG2 3.5Å
609V18.9Very low24.9Very low101 Ų101132.6 Ų132.661%0.61265%0.65SS**  trans-144.986.4141.5174.2000099.7P607 K611P607-V609 HydrophobicContact CB-CB 3.67Å; P607-V609 HydrophobicContact CB-CG2 4.03Å; V609-K611 PolarHBondContact O-N 3Å
610E21.5Very low24.9Very low136 Ų136132.9 Ų132.964%0.63665%0.645SS**  54.86178.1-49.1162.9125.400109.7
611K18.1Very low25.1Very low202 Ų202128.5 Ų128.588%0.87863%0.634SS**  -111.280126.5-63.7-164.4176.1-168.80105.4V609V609-K611 PolarHBondContact O-N 3Å
612S19.5Very low25.3Very low72 Ų72129.2 Ų129.250%0.50363%0.634SS.*  57.1135.556.195.30000110.8
613M21.7Very low25.2Very low97 Ų97129.8 Ų129.848%0.47863%0.633SS.*  trans66.9105.8171.8-62.1158.454.900111.9F417F417-M613 VanDerWaalsContact C-CE 3.42Å; F417-M613 VanDerWaalsContact O-CE 3.25Å; F417-M613 WeakPolarHBondContact O-CE 3.37Å
614D28.4Very low25.6Very low97 Ų97125.2 Ų125.252%0.51964%0.637SS.*  cis-138.9158.412.2-72.8-60.4000111.4A419A419-D614 PolarHBondContact N-OD1 2.62Å
615N27Very low25.9Very low80 Ų80121.4 Ų121.443%0.42864%0.639SS.*  cis57.2156.148.9-75.6-33.7000112.2C420 S421 M617C420-N615 VanDerWaalsContact C-CG 3.42Å; C420-N615 VanDerWaalsContact O-CB 3.26Å; C420-N615 WeakPolarHBondContact O-CB 3.32Å; C420-N615 PolarHBondContact O-OD1 2.75Å; S421-N615 PolarHBondContact N-OD1 3.12Å; N615-M617 PolarHBondContact O-N 3.4Å; N615-M617 VanDerWaalsContact O-N 3.17Å
616E25.2Very low26.4Very low87 Ų87118.4 Ų118.441%0.40763%0.633SS.*  trans1581.2170.6-84.1150.7-162.400119.5C420 S421 L618C420-E616 VanDerWaalsContact C-CD 3.45Å; C420-E616 VanDerWaalsContact C-OE1 3.31Å; C420-E616 WeakPolarHBondContact CA-OE2 3.39Å; C420-E616 VanDerWaalsContact CB-CD 3.4Å; C420-E616 WeakPolarHBondContact CB-OE1 3.43Å; C420-E616 WeakPolarHBondContact CB-OE2 3.04Å; C420-E616 PolarHBondContact N-OE2 2.89Å; C420-E616 WeakPolarHBondContact O-CG 3.4Å; C420-E616 PolarHBondContact O-N 2.81Å; C420-E616 VanDerWaalsContact O-N 3.16Å; C420-E616 VanDerWaalsContact O-OE1 3.07Å; S421-E616 PolarHBondContact OG-OE1 3.38Å; E616-L618 HydrophobicContact CB-CD1 4.27Å; E616-L618 HydrophobicContact CB-CG 4.14Å; E616-L618 HydrophobicContact CG-CD1 4.36Å; E616-L618 HydrophobicContact CG-CD2 4.06Å; E616-L618 HydrophobicContact CG-CG 4.03Å
617M27.2Very low26.5Very low179 Ų179114.4 Ų114.488%0.88263%0.629SS**  -143.979.1115.7-100.3-167.784.200109.7N615N615-M617 PolarHBondContact O-N 3.4Å; N615-M617 VanDerWaalsContact O-N 3.17Å
618L26.2Very low27Very low86 Ų86120.8 Ų120.845%0.4564%0.64SS.*  82119.776-76.3166.9000113E616E616-L618 HydrophobicContact CB-CD1 4.27Å; E616-L618 HydrophobicContact CB-CG 4.14Å; E616-L618 HydrophobicContact CG-CD1 4.36Å; E616-L618 HydrophobicContact CG-CD2 4.06Å; E616-L618 HydrophobicContact CG-CG 4.03Å
619R25.3Very low27.2Very low196 Ų196124.4 Ų124.474%0.7465%0.648SS**  trans65.2125.5138.9-66.3173.1-177.9144.75.7118.5
620K28.3Very low27.8Very low148 Ų148124.5 Ų124.564%0.64365%0.645SS**  trans69.1171.5146.4-58.6156.8154.1-1340117
621E29.6Very low28.2Very low139 Ų139123.9 Ų123.965%0.6565%0.651SS**  cis-84.7133.1-30.3-100.576.1-137.700105.9
622N30.2Very low28.7Very low107 Ų107117.1 Ų117.157%0.57264%0.638SS**  60.1155.668.5-53.6-12.1000113.5
623D30.5Very low29.1Very low140 Ų140122.2 Ų122.275%0.74966%0.658SS**  trans67.7151153.8-53.9-40.9000118.5
624A35.3Very low29.3Very low96 Ų96122.3 Ų122.379%0.79367%0.668SS**  cis-126.5153.2-3.800000111.4
625P33.4Very low29.3Very low126 Ų126125.1 Ų125.182%0.81868%0.681SS**  trans-129.2-172.7-152.541.3-24.3000114.4
626G33.4Very low29.6Very low65 Ų65126.4 Ų126.467%0.6770%0.697SS**  trans118142.5160.200000113.9
627G31Very low29.9Very low55 Ų55127.2 Ų127.257%0.56771%0.709SS**  cis-169.1115.2-700000110
628R31.9Very low30Very low238 Ų238123.4 Ų123.490%0.89869%0.692SS**  58.1111.292-86.3-171.7170176.6-1.9114
629K29.2Very low30Very low165 Ų165123 Ų12372%0.71769%0.691SS**  -175.1147.6121.1-91.9-179.4174.6-172.70107.6
630D30.4Very low30Very low103 Ų103118 Ų11855%0.55168%0.682SS**  cis-149163-4.3-113.4-36000110.8R441R441-D630 PolarHBondContact NH1-O 2.72Å
631V29.5Very low30.2Very low124 Ų124118 Ų11875%0.75268%0.684SS**  trans46.2141.8156.2-175.40000120.4R441R441-V631 PolarHBondContact NH1-O 2.63Å
632G28.5Very low29.9Very low60 Ų60116.8 Ų116.862%0.61969%0.688SS**  cis157.2140.7-14.500000115.3
633I28.2Very low29.7Very low178 Ų178119.8 Ų119.891%0.91370%0.703SS**  trans74.5147.1159-51.9172000117.7
634S27.1Very low29.3Very low99 Ų99117.7 Ų117.769%0.69270%0.699SS**  cis-176.5166.8-36.7-165.20000112.4
635I28.8Very low28.9Very low156 Ų156123.5 Ų123.580%0.871%0.707SS**  trans85.8130.6159.2-43.3-174.4000121.9
636S31.8Very low28.4Very low107 Ų107120.8 Ų120.875%0.74870%0.703SS**  trans-41.1-174.9168.1-34.10000119.6
637P32.3Very low27.9Very low104 Ų104126 Ų12668%0.67571%0.714SS**  cis-148.9-171.79.546.5-25.5000119.1
638L29.5Very low27.6Very low100 Ų100132 Ų13252%0.52473%0.727SS.*  trans45.4123.5142.1-86158000125.3V427 S428V427-L638 HydrophobicContact CG1-CD1 4.21Å; V427-L638 HydrophobicContact CG1-CD2 4.03Å; V427-L638 HydrophobicContact CG1-CG 3.56Å; S428-L638 CarbonylContact O-C 3.59Å; S428-L638 VanDerWaalsContact O-CA 3.25Å; S428-L638 WeakPolarHBondContact O-CA 3.4Å; S428-L638 WeakPolarHBondContact OG-CD2 3.08Å
639N25.8Very low27.2Very low77 Ų77127.4 Ų127.441%0.41273%0.726SS.*  trans74.1173.3140.7-123.4-1000116.5S428 K429 P430S428-N639 PolarHBondContact O-N 3.31Å; K429-N639 VanDerWaalsContact CD-OD1 3.25Å; K429-N639 WeakPolarHBondContact CD-OD1 3.35Å; K429-N639 PolarHBondContact NZ-OD1 2.95Å; P430-N639 WeakPolarHBondContact CD-O 3.21Å; P430-N639 VanDerWaalsContact CG-O 3.24Å; P430-N639 WeakPolarHBondContact CG-O 3.33Å
640V25Very low27Very low92 Ų92128.3 Ų128.356%0.55874%0.735SS**  cis-132.8-121.91.564.60000114.1K429K429-V640 VanDerWaalsContact CD-O 3.22Å; K429-V640 WeakPolarHBondContact CD-O 3.47Å; K429-V640 WeakPolarHBondContact CE-O 3.39Å; K429-V640 PolarHBondContact NZ-O 2.84Å
641Q32.5Very low26.9Very low147 Ų147132.2 Ų132.269%0.68775%0.75SS**  trans-163.6150.4175.6-139.3-176.1-3.900106.7
642P23.9Very low26.8Very low113 Ų113131.7 Ų131.773%0.73475%0.749SS**  trans-140.1157.1133.437.6-26.7000114.7
643L25.4Very low26.9Very low171 Ų171134.4 Ų134.490%0.89576%0.756SS**  trans-101.2109.3160.7-77.2162.1000108
644S22.9Very low27.2Very low95 Ų95131.7 Ų131.766%0.66475%0.75SS**  trans-162.8122.8169.354.20000113.4
645F25.4Very low27.5Very low218 Ų218136.2 Ų136.296%0.95676%0.76SS**  trans1133.4155.6-71.3-101.8000120
646G24.1Very low27.9Very low70 Ų70134.5 Ų134.572%0.72275%0.752SS**  trans129.5117.4131.500000118.7
647L22.6Very low28.8Very low174 Ų174135.1 Ų135.191%0.91174%0.741SS**  trans64.7167.6147.7-68.7166.7000119.9
648Q24.2Very low29.8Very low180 Ų180133.6 Ų133.684%0.84174%0.737SS**  trans-81.8138.4-164.8-60.1156.2-63.100112.8
649T24.6Very low30.9Very low143 Ų143130.6 Ų130.688%0.87772%0.72SS**  trans-136153.7147.840.50000108.1
650M25.2Very low32.3Very low184 Ų184130 Ų13091%0.90672%0.72SS**PPolyproline II helixtrans-100.5128.3-172.3-58.7-171.576.800111.3
651E27Very low33.8Very low184 Ų184132 Ų13286%0.8673%0.726SS**PPolyproline II helixtrans-76.1148.3162.7-74.1-173.7124.600110.4
652P27.4Very low35.5Very low113 Ų113127.6 Ų127.673%0.73471%0.707SS**PPolyproline II helixtrans-68.9152.2-178.229.1-35.5000112
653P31.3Very low37.9Very low117 Ų117127.7 Ų127.776%0.7670%0.698SS**PPolyproline II helixtrans-62.8143.6172.228.4-34.6000110.6
654P34.7Very low40.3Very low122 Ų122129 Ų12979%0.79269%0.691SS**PPolyproline II helixtrans-63.5145.3177.127.7-35000110.9L656P654-L656 PolarHBondContact O-N 3.25Å
655E34.1Very low42.9Very low194 Ų194127.4 Ų127.491%0.90768%0.675SS**PPolyproline II helixtrans-56.7126.5-179.9-66.2-175.3131.100111.4K657E655-K657 PolarHBondContact O-N 3.03Å
656L35.8Very low45.8Very low119 Ų119117 Ų11762%0.62363%0.629SS**PPolyproline II helixtrans-64117.2173-75158.6000108.6P654 A658 T660P654-L656 PolarHBondContact O-N 3.25Å; L656-A658 PolarHBondContact O-N 2.86Å; L656-T660 HydrophobicContact CD2-CG2 3.87Å
657K51.7Low48.5Very low121 Ų121116.2 Ų116.253%0.52661%0.609SS.*PPolyproline II helixtrans-50.2140.6169.1-64.3177.8179.9174.90108.4E655 E659 T660E655-K657 PolarHBondContact O-N 3.03Å; K657-E659 PolarHBondContact O-N 2.85Å; K657-T660 PolarHBondContact N-OG1 2.95Å; K657-T660 WeakPolarHBondContact O-CA 3.19Å; K657-T660 VanDerWaalsContact O-CB 3.32Å; K657-T660 WeakPolarHBondContact O-CB 3.49Å; K657-T660 PolarHBondContact O-N 3Å; K657-T660 PolarHBondContact O-OG1 3.4Å
658A52Low51.3Low71 Ų71112.3 Ų112.359%0.58759%0.586SS**G310 helixtrans-54.3-31.9-179.300000113L656 T660 L661 L662L656-A658 PolarHBondContact O-N 2.86Å; A658-T660 VanDerWaalsContact C-N 3.28Å; A658-T660 PolarHBondContact O-N 2.81Å; A658-L661 PolarHBondContact O-N 3.21Å; A658-L662 PolarHBondContact O-N 3.01Å
659E52.7Low54.3Low38 Ų38103.8 Ų103.818%0.17855%0.546CS..G310 helixtrans-53.5-40171.5-66157-112.700112.9K657 L661 L662 N667 L670 T753K657-E659 PolarHBondContact O-N 2.85Å; E659-L661 PolarHBondContact O-N 2.75Å; E659-L661 VanDerWaalsContact O-N 3.17Å; E659-L662 PolarHBondContact O-N 2.94Å; E659-N667 PolarHBondContact O-ND2 2.76Å; E659-N667 PolarHBondContact O-OD1 2.71Å; E659-L670 HydrophobicContact CG-CD2 4.17Å; E659-T753 WeakPolarHBondContact OE1-CB 3.37Å; E659-T753 PolarHBondContact OE1-OG1 2.74Å
660T55.8Low57.4Low64 Ų6497.2 Ų97.239%0.39351%0.505SS..G310 helixtrans-67.2-12.1177.7-10.70000114.2L656 K657 A658L656-T660 HydrophobicContact CD2-CG2 3.87Å; K657-T660 PolarHBondContact N-OG1 2.95Å; K657-T660 WeakPolarHBondContact O-CA 3.19Å; K657-T660 VanDerWaalsContact O-CB 3.32Å; K657-T660 WeakPolarHBondContact O-CB 3.49Å; K657-T660 PolarHBondContact O-N 3Å; K657-T660 PolarHBondContact O-OG1 3.4Å; A658-T660 VanDerWaalsContact C-N 3.28Å; A658-T660 PolarHBondContact O-N 2.81Å
661L57Low60.3Low134 Ų13490.9 Ų90.970%0.70248%0.482SS*.G310 helixtrans-102.3-8.9174.1-66.6168.8000112.6A658 E659A658-L661 PolarHBondContact O-N 3.21Å; E659-L661 PolarHBondContact O-N 2.75Å; E659-L661 VanDerWaalsContact O-N 3.17Å
662L67.6Low63.1Low55 Ų5586.1 Ų86.129%0.28846%0.459SS..SBendtrans-84.1158.6177.1-68.3173.6000111.3A658 E659 H666 N667 Y749A658-L662 PolarHBondContact O-N 3.01Å; E659-L662 PolarHBondContact O-N 2.94Å; L662-H666 HydrophobicContact CB-CB 4.28Å; L662-H666 VanDerWaalsContact CD1-NE2 3.32Å; L662-H666 WeakPolarHBondContact CD1-NE2 3.37Å; L662-N667 PolarHBondContact O-ND2 2.79Å; L662-Y749 HydrophobicContact CD2-CD2 4.27Å
663E74.1Confident66.2Low114 Ų11480.7 Ų80.753%0.53342%0.424SS..  trans-58.8155.8-174-62.1-174.6141.400112.8D665 H666 N667E663-D665 PolarHBondContact O-N 3.38Å; E663-H666 PolarHBondContact O-N 3Å; E663-N667 PolarHBondContact O-N 3.14Å; E663-N667 PolarHBondContact O-ND2 3.43Å
664R75.6Confident69Low200 Ų20078.8 Ų78.876%0.75540%0.404SS*.Hα-helixtrans-54.5-40.3179.7178.7178172.8161.60.1112N667 E668R664-N667 PolarHBondContact O-N 3.23Å; R664-E668 WeakPolarHBondContact O-CB 3.39Å; R664-E668 PolarHBondContact O-N 2.83Å
665D77.2Confident71.6Confident60 Ų6075.8 Ų75.832%0.32138%0.379SS..Hα-helixtrans-63.9-47.7-179.7-74.434.9000111.4E663 N667 E668 I669 R747E663-D665 PolarHBondContact O-N 3.38Å; D665-N667 VanDerWaalsContact C-N 3.3Å; D665-N667 PolarHBondContact O-N 3.32Å; D665-E668 PolarHBondContact O-N 3.08Å; D665-E668 VanDerWaalsContact O-N 3.17Å; D665-I669 HydrophobicContact CB-CD1 4.5Å; D665-I669 VanDerWaalsContact O-CD1 3.28Å; D665-I669 WeakPolarHBondContact O-CD1 3.41Å; D665-I669 WeakPolarHBondContact O-CG1 3.34Å; D665-I669 PolarHBondContact O-N 2.82Å; D665-R747 IonicContact OD2-CZ 2.67Å; D665-R747 IonicContact OD2-NE 2.75Å; D665-R747 PolarHBondContact OD2-NE 3.14Å; D665-R747 IonicContact OD2-NH2 3.98Å; D665-R747 PolarHBondContact OD2-NH2 3.05Å
666H86.3Confident74.3Confident0 Ų067.8 Ų67.80%034%0.343CS..Hα-helixtrans-53.4-48.2173.9169.789.5000111.3L662 E663 I669 L670 R747 Y749L662-H666 HydrophobicContact CB-CB 4.28Å; L662-H666 VanDerWaalsContact CD1-NE2 3.32Å; L662-H666 WeakPolarHBondContact CD1-NE2 3.37Å; E663-H666 PolarHBondContact O-N 3Å; H666-I669 PolarHBondContact O-N 3.37Å; H666-L670 VanDerWaalsContact O-CB 3.3Å; H666-L670 WeakPolarHBondContact O-CB 3.48Å; H666-L670 PolarHBondContact O-N 2.96Å; H666-R747 VanDerWaalsContact CA-O 3.25Å; H666-R747 WeakPolarHBondContact CA-O 3.37Å; H666-R747 WeakPolarHBondContact CB-O 3.24Å; H666-R747 PolarHBondContact N-O 2.98Å; H666-Y749 HydrophobicContact CB-CD2 4.32Å; H666-Y749 PolarHBondContact CE1-O 3.17Å; H666-Y749 PolarHBondContact ND1-N 3.34Å; H666-Y749 PolarHBondContact ND1-O 2.86Å
667N80.8Confident76.9Confident54 Ų5462.5 Ų62.529%0.28932%0.316SS..Hα-helixtrans-66.6-37.4-179.8-78.8-69000112.6E659 L662 E663 R664 D665 A671E659-N667 PolarHBondContact O-ND2 2.76Å; E659-N667 PolarHBondContact O-OD1 2.71Å; L662-N667 PolarHBondContact O-ND2 2.79Å; E663-N667 PolarHBondContact O-N 3.14Å; E663-N667 PolarHBondContact O-ND2 3.43Å; R664-N667 PolarHBondContact O-N 3.23Å; D665-N667 VanDerWaalsContact C-N 3.3Å; D665-N667 PolarHBondContact O-N 3.32Å; N667-A671 VanDerWaalsContact O-CB 3.32Å; N667-A671 WeakPolarHBondContact O-CB 3.23Å; N667-A671 PolarHBondContact O-N 3.04Å
668E83.3Confident78.7Confident92 Ų9260 Ų6043%0.4331%0.306SS..Hα-helixtrans-68.6-37.3175.6-161-172.1110.900112.1R664 D665 K672R664-E668 WeakPolarHBondContact O-CB 3.39Å; R664-E668 PolarHBondContact O-N 2.83Å; D665-E668 PolarHBondContact O-N 3.08Å; D665-E668 VanDerWaalsContact O-N 3.17Å; E668-K672 VanDerWaalsContact O-CG 3.31Å; E668-K672 WeakPolarHBondContact O-CG 3.31Å; E668-K672 PolarHBondContact O-N 2.99Å; E668-K672 VanDerWaalsContact O-N 3.15Å; E668-K672 WeakPolarHBondContact OE1-CE 3.33Å; E668-K672 IonicContact OE1-NZ 2.68Å; E668-K672 PolarHBondContact OE1-NZ 2.78Å
669I86.4Confident80.6Confident1 Ų156.6 Ų56.61%0.00528%0.278CS..Hα-helixtrans-72.5-43.9177.8-61.8155.3000110.5D665 H666 A671 K672 L673 E742 R747 L748D665-I669 HydrophobicContact CB-CD1 4.5Å; D665-I669 VanDerWaalsContact O-CD1 3.28Å; D665-I669 WeakPolarHBondContact O-CD1 3.41Å; D665-I669 WeakPolarHBondContact O-CG1 3.34Å; D665-I669 PolarHBondContact O-N 2.82Å; H666-I669 PolarHBondContact O-N 3.37Å; I669-A671 VanDerWaalsContact C-N 3.31Å; I669-A671 PolarHBondContact O-N 2.73Å; I669-K672 WeakPolarHBondContact O-CB 3.05Å; I669-K672 PolarHBondContact O-N 3.1Å; I669-K672 VanDerWaalsContact O-N 3.09Å; I669-L673 PolarHBondContact O-N 2.88Å; I669-E742 HydrophobicContact CD1-CB 3.99Å; I669-E742 VanDerWaalsContact CD1-CD 3.47Å; I669-E742 HydrophobicContact CD1-CG 3.88Å; I669-E742 HydrophobicContact CG1-CG 4.23Å; I669-E742 HydrophobicContact CG2-CB 4.08Å; I669-E742 HydrophobicContact CG2-CG 4.02Å; I669-R747 HydrophobicContact CD1-CB 3.78Å; I669-L748 HydrophobicContact CB-CD1 4.12Å; I669-L748 HydrophobicContact CG2-CB 4.19Å; I669-L748 HydrophobicContact CG2-CD1 3.82Å; I669-L748 HydrophobicContact CG2-CD2 3.92Å; I669-L748 HydrophobicContact CG2-CG 4.2Å
670L89Confident82.5Confident4 Ų454.8 Ų54.82%0.02127%0.27CS..Hα-helixtrans-59-41.8174177.654.7000111.7E659 H666 K672 L673 Q674 T753 V754 V757E659-L670 HydrophobicContact CG-CD2 4.17Å; H666-L670 VanDerWaalsContact O-CB 3.3Å; H666-L670 WeakPolarHBondContact O-CB 3.48Å; H666-L670 PolarHBondContact O-N 2.96Å; L670-K672 VanDerWaalsContact C-N 3.33Å; L670-K672 PolarHBondContact O-N 2.86Å; L670-L673 PolarHBondContact O-N 2.83Å; L670-Q674 HydrophobicContact CD1-CG 4.2Å; L670-Q674 WeakPolarHBondContact O-CG 3.45Å; L670-Q674 PolarHBondContact O-N 2.82Å; L670-T753 HydrophobicContact CD1-CG2 4.29Å; L670-T753 HydrophobicContact CD2-CG2 4.09Å; L670-V754 HydrophobicContact CD1-CG2 3.9Å; L670-V754 HydrophobicContact CD2-CG2 4.41Å; L670-V757 HydrophobicContact CD1-CG2 4.19Å
671A85.6Confident84.1Confident52 Ų5256.4 Ų56.443%0.4327%0.273SS..Hα-helixtrans-62.4-36.4174.400000112.9N667 I669 F675N667-A671 VanDerWaalsContact O-CB 3.32Å; N667-A671 WeakPolarHBondContact O-CB 3.23Å; N667-A671 PolarHBondContact O-N 3.04Å; I669-A671 VanDerWaalsContact C-N 3.31Å; I669-A671 PolarHBondContact O-N 2.73Å; A671-F675 WeakPolarHBondContact O-CB 3.17Å; A671-F675 PolarHBondContact O-N 2.83Å
672K87.3Confident85.7Confident83 Ų8350.5 Ų50.536%0.36124%0.243SC..Hα-helixtrans-64.5-44.1173.8-70.4162-169.2160.60111.7E668 I669 L670 F675 V676E668-K672 VanDerWaalsContact O-CG 3.31Å; E668-K672 WeakPolarHBondContact O-CG 3.31Å; E668-K672 PolarHBondContact O-N 2.99Å; E668-K672 VanDerWaalsContact O-N 3.15Å; E668-K672 WeakPolarHBondContact OE1-CE 3.33Å; E668-K672 IonicContact OE1-NZ 2.68Å; E668-K672 PolarHBondContact OE1-NZ 2.78Å; I669-K672 WeakPolarHBondContact O-CB 3.05Å; I669-K672 PolarHBondContact O-N 3.1Å; I669-K672 VanDerWaalsContact O-N 3.09Å; L670-K672 VanDerWaalsContact C-N 3.33Å; L670-K672 PolarHBondContact O-N 2.86Å; K672-F675 PolarHBondContact O-N 2.9Å; K672-V676 WeakPolarHBondContact O-CG2 3.36Å; K672-V676 PolarHBondContact O-N 3.3Å
673L91Very high86.8Confident0 Ų048 Ų480%023%0.229CC..Hα-helixtrans-64.4-44.7177.5-62.8177.8000111.9I669 L670 F675 V676 L677 S735 A739 L748 V757 L758 L761I669-L673 PolarHBondContact O-N 2.88Å; L670-L673 PolarHBondContact O-N 2.83Å; L673-F675 VanDerWaalsContact C-N 3.33Å; L673-F675 PolarHBondContact O-N 3.13Å; L673-V676 PolarHBondContact O-N 3.12Å; L673-L677 PolarHBondContact O-N 2.77Å; L673-S735 VanDerWaalsContact CD2-O 3.26Å; L673-S735 WeakPolarHBondContact CD2-O 3.06Å; L673-A739 HydrophobicContact CD1-CB 3.99Å; L673-A739 HydrophobicContact CD2-CB 4.15Å; L673-L748 HydrophobicContact CD1-CD2 3.73Å; L673-V757 HydrophobicContact CB-CG1 3.75Å; L673-L758 HydrophobicContact CD1-CD2 4.27Å; L673-L761 HydrophobicContact CB-CD1 4.48Å
674Q90.4Very high87.5Confident76 Ų7643.6 Ų43.636%0.35521%0.21SC..Hα-helixtrans-61.2-39.7174.9-72175.62.800112.3L670 L677 Q678 V757L670-Q674 HydrophobicContact CD1-CG 4.2Å; L670-Q674 WeakPolarHBondContact O-CG 3.45Å; L670-Q674 PolarHBondContact O-N 2.82Å; Q674-L677 PolarHBondContact O-N 2.76Å; Q674-Q678 PolarHBondContact O-N 3.41Å; Q674-V757 HydrophobicContact CG-CG1 4.32Å; Q674-V757 HydrophobicContact CG-CG2 3.65Å
675F90.6Very high88Confident60 Ų6039 Ų3926%0.26320%0.196SC..Hα-helixtrans-64.8-44.4176.1179.9-102.9000112.2A671 K672 L673 L677 Q678 V679 V827 H830A671-F675 WeakPolarHBondContact O-CB 3.17Å; A671-F675 PolarHBondContact O-N 2.83Å; K672-F675 PolarHBondContact O-N 2.9Å; L673-F675 VanDerWaalsContact C-N 3.33Å; L673-F675 PolarHBondContact O-N 3.13Å; F675-L677 VanDerWaalsContact C-N 3.32Å; F675-L677 PolarHBondContact O-N 2.95Å; F675-Q678 PolarHBondContact O-N 3.03Å; F675-V679 HydrophobicContact CD1-CG2 4.35Å; F675-V679 HydrophobicContact CE1-CG2 3.89Å; F675-V679 HydrophobicContact CE2-CG2 4.38Å; F675-V679 HydrophobicContact CZ-CG2 3.91Å; F675-V679 WeakPolarHBondContact O-CG2 3.42Å; F675-V679 PolarHBondContact O-N 2.63Å; F675-V827 HydrophobicContact CE2-CG1 4.11Å; F675-V827 HydrophobicContact CZ-CG1 4.48Å; F675-H830 HydrophobicContact CZ-CB 4.37Å
676V89.9Confident88.5Confident25 Ų2536.2 Ų36.215%0.15218%0.181CC..Hα-helixtrans-59.6-44.9176.1172.60000111K672 L673 Q678 V679 V680 M731 L761K672-V676 WeakPolarHBondContact O-CG2 3.36Å; K672-V676 PolarHBondContact O-N 3.3Å; L673-V676 PolarHBondContact O-N 3.12Å; V676-Q678 VanDerWaalsContact C-N 3.32Å; V676-Q678 PolarHBondContact O-N 3.15Å; V676-V679 WeakPolarHBondContact O-CB 3.27Å; V676-V679 PolarHBondContact O-N 2.77Å; V676-V679 VanDerWaalsContact O-N 3.12Å; V676-V680 HydrophobicContact CG1-CG2 4.1Å; V676-V680 VanDerWaalsContact O-CG2 3.28Å; V676-V680 WeakPolarHBondContact O-CG2 3.41Å; V676-V680 PolarHBondContact O-N 2.98Å; V676-M731 HydrophobicContact CG1-CB 4.22Å; V676-M731 HydrophobicContact CG1-CE 4.47Å; V676-L761 HydrophobicContact CG1-CD2 4.24Å
677L90.8Very high88.5Confident8 Ų836.2 Ų36.24%0.04218%0.181CC..Hα-helixtrans-58-43176.8179.657.6000112.1L673 Q674 F675 V679 V680 Q681 V757 E760 L761L673-L677 PolarHBondContact O-N 2.77Å; Q674-L677 PolarHBondContact O-N 2.76Å; F675-L677 VanDerWaalsContact C-N 3.32Å; F675-L677 PolarHBondContact O-N 2.95Å; L677-V679 VanDerWaalsContact C-N 3.34Å; L677-V679 PolarHBondContact O-N 2.6Å; L677-V680 PolarHBondContact O-N 2.84Å; L677-Q681 HydrophobicContact CD1-CG 4.41Å; L677-Q681 VanDerWaalsContact O-CG 3.32Å; L677-Q681 WeakPolarHBondContact O-CG 3.36Å; L677-Q681 PolarHBondContact O-N 2.75Å; L677-V757 HydrophobicContact CD2-CG1 4.23Å; L677-E760 HydrophobicContact CD1-CB 3.96Å; L677-E760 HydrophobicContact CD2-CB 3.58Å; L677-E760 HydrophobicContact CD2-CG 4.44Å; L677-E760 HydrophobicContact CG-CB 4.41Å; L677-L761 HydrophobicContact CB-CD2 3.9Å; L677-L761 HydrophobicContact CB-CG 4.21Å; L677-L761 HydrophobicContact CD1-CD2 4.07Å; L677-L761 HydrophobicContact CD1-CG 4.22Å
678Q89.8Confident88.6Confident69 Ų6939.1 Ų39.132%0.32219%0.192SC..Hα-helixtrans-63.5-36.5175.8-165.7177.736.800112.8Q674 F675 V676 S682 V827Q674-Q678 PolarHBondContact O-N 3.41Å; F675-Q678 PolarHBondContact O-N 3.03Å; V676-Q678 VanDerWaalsContact C-N 3.32Å; V676-Q678 PolarHBondContact O-N 3.15Å; Q678-S682 WeakPolarHBondContact O-CB 3.39Å; Q678-S682 PolarHBondContact O-N 3.12Å; Q678-S682 PolarHBondContact O-OG 3.2Å; Q678-V827 HydrophobicContact CG-CG1 4.34Å; Q678-V827 HydrophobicContact CG-CG2 4.13Å; Q678-V827 VanDerWaalsContact OE1-CG2 3.29Å
679V91.6Very high88.2Confident0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-67.4-45.3173.1179.40000110.9F675 V676 L677 Q681 S682 L683 M731 V827 T831F675-V679 HydrophobicContact CD1-CG2 4.35Å; F675-V679 HydrophobicContact CE1-CG2 3.89Å; F675-V679 HydrophobicContact CE2-CG2 4.38Å; F675-V679 HydrophobicContact CZ-CG2 3.91Å; F675-V679 WeakPolarHBondContact O-CG2 3.42Å; F675-V679 PolarHBondContact O-N 2.63Å; V676-V679 WeakPolarHBondContact O-CB 3.27Å; V676-V679 PolarHBondContact O-N 2.77Å; V676-V679 VanDerWaalsContact O-N 3.12Å; L677-V679 VanDerWaalsContact C-N 3.34Å; L677-V679 PolarHBondContact O-N 2.6Å; V679-Q681 PolarHBondContact O-N 3.26Å; V679-S682 CarbonylContact O-C 3.15Å; V679-S682 WeakPolarHBondContact O-CA 3.38Å; V679-S682 VanDerWaalsContact O-CB 3.3Å; V679-S682 WeakPolarHBondContact O-CB 3.39Å; V679-S682 PolarHBondContact O-N 2.78Å; V679-L683 HydrophobicContact CG1-CD1 4.13Å; V679-L683 HydrophobicContact CG1-CG 4.21Å; V679-L683 WeakPolarHBondContact O-CG 3.42Å; V679-L683 PolarHBondContact O-N 2.93Å; V679-M731 HydrophobicContact CB-CE 3.92Å; V679-M731 HydrophobicContact CG1-CE 3.63Å; V679-M731 HydrophobicContact CG1-SD 3.9Å; V679-M731 HydrophobicContact CG2-CE 4.28Å; V679-V827 HydrophobicContact CB-CG1 4.4Å; V679-V827 HydrophobicContact CG2-CG1 3.55Å; V679-T831 HydrophobicContact CG1-CG2 4.15Å; V679-T831 HydrophobicContact CG2-CG2 4.5Å; V679-T831 WeakPolarHBondContact CG2-OG1 3.44Å
680V92.4Very high87.4Confident0 Ų037.6 Ų37.60%019%0.188CC..Hα-helixtrans-61.7-41.8-179.2166.10000112V676 L677 S682 L683 T684 M731 I732V676-V680 HydrophobicContact CG1-CG2 4.1Å; V676-V680 VanDerWaalsContact O-CG2 3.28Å; V676-V680 WeakPolarHBondContact O-CG2 3.41Å; V676-V680 PolarHBondContact O-N 2.98Å; L677-V680 PolarHBondContact O-N 2.84Å; V680-S682 VanDerWaalsContact C-N 3.33Å; V680-S682 PolarHBondContact O-N 3.37Å; V680-L683 PolarHBondContact O-N 2.63Å; V680-T684 WeakPolarHBondContact O-CB 3.4Å; V680-T684 PolarHBondContact O-N 3.12Å; V680-T684 PolarHBondContact O-OG1 3.07Å; V680-M731 HydrophobicContact CG2-CB 4.45Å; V680-I732 HydrophobicContact CB-CG1 4.34Å; V680-I732 HydrophobicContact CG1-CD1 3.7Å; V680-I732 HydrophobicContact CG1-CG1 3.89Å; V680-I732 HydrophobicContact CG2-CD1 4.18Å; V680-I732 HydrophobicContact CG2-CG1 3.53Å
681Q90Very high86.3Confident98 Ų9840.4 Ų40.446%0.45821%0.208SC..Hα-helixtrans-61.7-40.8171.6-69.7171.3000111.4L677 V679 T684 K685L677-Q681 HydrophobicContact CD1-CG 4.41Å; L677-Q681 VanDerWaalsContact O-CG 3.32Å; L677-Q681 WeakPolarHBondContact O-CG 3.36Å; L677-Q681 PolarHBondContact O-N 2.75Å; V679-Q681 PolarHBondContact O-N 3.26Å; Q681-T684 PolarHBondContact O-N 2.87Å; Q681-K685 PolarHBondContact O-N 3.04Å; Q681-K685 VanDerWaalsContact O-N 3.1Å
682S89.8Confident84.9Confident10 Ų1041.2 Ų41.27%0.0721%0.205CC..Hα-helixtrans-65.7-39.8176.8-56.90000112.9Q678 V679 V680 K685 L686Q678-S682 WeakPolarHBondContact O-CB 3.39Å; Q678-S682 PolarHBondContact O-N 3.12Å; Q678-S682 PolarHBondContact O-OG 3.2Å; V679-S682 CarbonylContact O-C 3.15Å; V679-S682 WeakPolarHBondContact O-CA 3.38Å; V679-S682 VanDerWaalsContact O-CB 3.3Å; V679-S682 WeakPolarHBondContact O-CB 3.39Å; V679-S682 PolarHBondContact O-N 2.78Å; V680-S682 VanDerWaalsContact C-N 3.33Å; V680-S682 PolarHBondContact O-N 3.37Å; S682-K685 PolarHBondContact O-N 3.07Å; S682-L686 PolarHBondContact O-N 2.74Å; S682-L686 VanDerWaalsContact O-N 3.11Å
683L91.7Very high82.4Confident2 Ų240.3 Ų40.31%0.0121%0.208CC..Hα-helixtrans-66.7-44174.6-70.1177.6000111.8V679 V680 K685 L686 A687 I724 R727 A728 M731 M795V679-L683 HydrophobicContact CG1-CD1 4.13Å; V679-L683 HydrophobicContact CG1-CG 4.21Å; V679-L683 WeakPolarHBondContact O-CG 3.42Å; V679-L683 PolarHBondContact O-N 2.93Å; V680-L683 PolarHBondContact O-N 2.63Å; L683-K685 PolarHBondContact O-N 3.05Å; L683-L686 WeakPolarHBondContact O-CB 3.45Å; L683-L686 PolarHBondContact O-N 2.86Å; L683-A687 PolarHBondContact O-N 2.86Å; L683-I724 HydrophobicContact CB-CG2 3.96Å; L683-I724 HydrophobicContact CD2-CG2 4.21Å; L683-I724 VanDerWaalsContact O-CG2 3.24Å; L683-I724 WeakPolarHBondContact O-CG2 3.38Å; L683-R727 HydrophobicContact CD1-CG 4.42Å; L683-A728 HydrophobicContact CB-CB 4.33Å; L683-A728 HydrophobicContact CD1-CB 4.01Å; L683-M731 HydrophobicContact CD1-SD 4.34Å; L683-M795 HydrophobicContact CD2-CG 3.58Å; L683-M795 HydrophobicContact CD2-SD 3.7Å
684T88.5Confident79.6Confident21 Ų2141.3 Ų41.313%0.12921%0.213CC..Hα-helixtrans-58.8-39.8177-58.90000111.1V680 Q681 A687 Q688 Y725V680-T684 WeakPolarHBondContact O-CB 3.4Å; V680-T684 PolarHBondContact O-N 3.12Å; V680-T684 PolarHBondContact O-OG1 3.07Å; Q681-T684 PolarHBondContact O-N 2.87Å; T684-A687 PolarHBondContact O-N 3.28Å; T684-Q688 WeakPolarHBondContact O-CG 3.44Å; T684-Q688 PolarHBondContact O-N 3.2Å; T684-Q688 VanDerWaalsContact O-N 3.08Å; T684-Y725 HydrophobicContact CG2-CE1 4.45Å
685K86.5Confident77.1Confident105 Ų10539 Ų3946%0.45721%0.205SC..Hα-helixtrans-66.2-38.2174.1-167176-178.2175.20112.9Q681 S682 L683 Q688 V689Q681-K685 PolarHBondContact O-N 3.04Å; Q681-K685 VanDerWaalsContact O-N 3.1Å; S682-K685 PolarHBondContact O-N 3.07Å; L683-K685 PolarHBondContact O-N 3.05Å; K685-Q688 WeakPolarHBondContact O-CB 3.4Å; K685-Q688 PolarHBondContact O-N 3Å; K685-V689 WeakPolarHBondContact O-CG2 3.49Å; K685-V689 PolarHBondContact O-N 3.02Å
686L87.9Confident74.8Confident0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-65.1-43.8173.9176.951.4000112.1S682 L683 Q688 V689 R690 I724 L794 Y798S682-L686 PolarHBondContact O-N 2.74Å; S682-L686 VanDerWaalsContact O-N 3.11Å; L683-L686 WeakPolarHBondContact O-CB 3.45Å; L683-L686 PolarHBondContact O-N 2.86Å; L686-Q688 VanDerWaalsContact C-N 3.25Å; L686-Q688 PolarHBondContact O-N 2.99Å; L686-V689 PolarHBondContact O-N 3.4Å; L686-V689 VanDerWaalsContact O-N 3.09Å; L686-R690 HydrophobicContact CD1-CG 4.01Å; L686-R690 PolarHBondContact O-N 2.85Å; L686-I724 HydrophobicContact CD2-CD1 4.23Å; L686-I724 HydrophobicContact CD2-CG1 4.45Å; L686-I724 HydrophobicContact CG-CD1 3.78Å; L686-I724 HydrophobicContact CG-CG1 4.46Å; L686-L794 HydrophobicContact CD2-CB 4.25Å; L686-Y798 HydrophobicContact CB-CD1 3.76Å; L686-Y798 HydrophobicContact CB-CE1 3.89Å; L686-Y798 HydrophobicContact CB-CG 4.3Å; L686-Y798 HydrophobicContact CD1-CD1 3.94Å; L686-Y798 HydrophobicContact CD1-CD2 3.83Å; L686-Y798 HydrophobicContact CD1-CE2 4.43Å; L686-Y798 HydrophobicContact CD1-CG 3.56Å; L686-Y798 HydrophobicContact CD2-CD1 3.98Å; L686-Y798 HydrophobicContact CD2-CG 4.11Å; L686-Y798 HydrophobicContact CG-CD1 4.08Å; L686-Y798 HydrophobicContact CG-CG 4.18Å
687A86.2Confident72Confident0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-62.6-32.5175.600000112.4L683 T684 S691 Q721 I724 Y725L683-A687 PolarHBondContact O-N 2.86Å; T684-A687 PolarHBondContact O-N 3.28Å; A687-S691 PolarHBondContact O-N 2.85Å; A687-Q721 WeakPolarHBondContact O-CG 3.19Å; A687-Q721 PolarHBondContact O-NE2 3.15Å; A687-I724 HydrophobicContact CB-CB 4.18Å; A687-I724 HydrophobicContact CB-CD1 4.38Å; A687-I724 HydrophobicContact CB-CG2 3.86Å; A687-Y725 HydrophobicContact CB-CD2 4.07Å; A687-Y725 HydrophobicContact CB-CE1 4.04Å; A687-Y725 HydrophobicContact CB-CE2 3.55Å
688Q82.2Confident69.2Low115 Ų11546.3 Ų46.354%0.53724%0.244SC..Hα-helixtrans-67.8-44.9169.4-69.7168.52.100111.9T684 K685 L686 R690 S691T684-Q688 WeakPolarHBondContact O-CG 3.44Å; T684-Q688 PolarHBondContact O-N 3.2Å; T684-Q688 VanDerWaalsContact O-N 3.08Å; K685-Q688 WeakPolarHBondContact O-CB 3.4Å; K685-Q688 PolarHBondContact O-N 3Å; L686-Q688 VanDerWaalsContact C-N 3.25Å; L686-Q688 PolarHBondContact O-N 2.99Å; Q688-R690 VanDerWaalsContact C-N 3.33Å; Q688-R690 PolarHBondContact O-N 3.16Å; Q688-S691 WeakPolarHBondContact O-CB 3.27Å; Q688-S691 PolarHBondContact O-N 3.02Å; Q688-S691 PolarHBondContact O-OG 2.83Å
689V74.7Confident66.5Low48 Ų4846.3 Ų46.329%0.29125%0.251SS..Hα-helixtrans-62.2-36.3178.5170.20000112.9K685 L686 S691 N692 S695 Y798K685-V689 WeakPolarHBondContact O-CG2 3.49Å; K685-V689 PolarHBondContact O-N 3.02Å; L686-V689 PolarHBondContact O-N 3.4Å; L686-V689 VanDerWaalsContact O-N 3.09Å; V689-S691 VanDerWaalsContact C-N 3.32Å; V689-S691 PolarHBondContact O-N 3.21Å; V689-N692 PolarHBondContact O-N 3.48Å; V689-S695 PolarHBondContact O-OG 2.84Å; V689-Y798 HydrophobicContact CG2-CE2 4.47Å
690R70.1Confident63.6Low13 Ų1349.2 Ų49.25%0.04927%0.271CS..Hα-helixtrans-78.1-9.8178-65.5-55.7-178.6113.8-16.4115L686 Q688 N692 E720 Q721 I724 E801L686-R690 HydrophobicContact CD1-CG 4.01Å; L686-R690 PolarHBondContact O-N 2.85Å; Q688-R690 VanDerWaalsContact C-N 3.33Å; Q688-R690 PolarHBondContact O-N 3.16Å; R690-N692 PolarHBondContact O-N 3.29Å; R690-E720 WeakPolarHBondContact CD-OE2 3.25Å; R690-E720 IonicContact CZ-OE2 3.89Å; R690-E720 IonicContact NE-OE2 3.05Å; R690-E720 VanDerWaalsContact NH1-CD 3.26Å; R690-E720 IonicContact NH1-OE1 2.91Å; R690-E720 PolarHBondContact NH1-OE1 3.03Å; R690-E720 IonicContact NH1-OE2 3.08Å; R690-E720 PolarHBondContact NH1-OE2 3.37Å; R690-Q721 HydrophobicContact CB-CG 4.36Å; R690-I724 HydrophobicContact CG-CD1 4.43Å; R690-E801 IonicContact NH2-OE1 3.27Å; R690-E801 PolarHBondContact NH2-OE1 2.95Å; R690-E801 VanDerWaalsContact NH2-OE1 3.13Å
691S64.7Low60.5Low63 Ų6359.3 Ų59.344%0.44131%0.309SS..Hα-helixtrans-66.2-27165.475.70000113.2A687 Q688 V689 P693A687-S691 PolarHBondContact O-N 2.85Å; Q688-S691 WeakPolarHBondContact O-CB 3.27Å; Q688-S691 PolarHBondContact O-N 3.02Å; Q688-S691 PolarHBondContact O-OG 2.83Å; V689-S691 VanDerWaalsContact C-N 3.32Å; V689-S691 PolarHBondContact O-N 3.21Å; S691-P693 WeakPolarHBondContact O-CD 3.48Å
692N57.4Low57.7Low69 Ų6965.7 Ų65.737%0.36933%0.329SS..SBendtrans-82.2120.4-171.4-175-21.5000110.9V689 R690 L694 S695V689-N692 PolarHBondContact O-N 3.48Å; R690-N692 PolarHBondContact O-N 3.29Å; N692-L694 PolarHBondContact O-N 2.97Å; N692-L694 VanDerWaalsContact O-N 3.07Å; N692-L694 WeakPolarHBondContact OD1-CB 3.32Å; N692-L694 PolarHBondContact OD1-N 2.9Å; N692-S695 PolarHBondContact O-N 3.35Å; N692-S695 PolarHBondContact O-OG 2.71Å; N692-S695 VanDerWaalsContact O-OG 3.11Å
693P35.2Very low54.9Low65 Ų6573.9 Ų73.942%0.42236%0.364SS..Hα-helixtrans-53.7-32-179.9-24.731.7000114.7S691S691-P693 WeakPolarHBondContact O-CD 3.48Å
694L31.3Very low51.8Low21 Ų2179 Ų7911%0.1140%0.4CS..Hα-helixtrans-78.8-31.3-170.9-69.4160.7000114N692 M697 L698 T916N692-L694 PolarHBondContact O-N 2.97Å; N692-L694 VanDerWaalsContact O-N 3.07Å; N692-L694 WeakPolarHBondContact OD1-CB 3.32Å; N692-L694 PolarHBondContact OD1-N 2.9Å; L694-M697 HydrophobicContact CD2-CE 4.04Å; L694-M697 PolarHBondContact O-N 2.89Å; L694-L698 WeakPolarHBondContact O-CG 3.02Å; L694-L698 PolarHBondContact O-N 3Å; L694-L698 VanDerWaalsContact O-N 3.11Å; L694-T916 HydrophobicContact CD1-CG2 3.96Å; L694-T916 HydrophobicContact CD2-CG2 3.44Å; L694-T916 VanDerWaalsContact CD2-CG2 3.44Å; L694-T916 HydrophobicContact CG-CG2 4.17Å
695S38.2Very low49Very low26 Ų2684.8 Ų84.818%0.18243%0.43CS..Hα-helixtrans-65.3-47.9-175.762.20000110.6V689 N692 M697 L698 C699V689-S695 PolarHBondContact O-OG 2.84Å; N692-S695 PolarHBondContact O-N 3.35Å; N692-S695 PolarHBondContact O-OG 2.71Å; N692-S695 VanDerWaalsContact O-OG 3.11Å; S695-M697 VanDerWaalsContact C-N 3.33Å; S695-M697 PolarHBondContact O-N 3.01Å; S695-L698 PolarHBondContact O-N 3.18Å; S695-C699 PolarHBondContact O-N 3.31Å
696V41.4Very low46.3Very low22 Ų2285.3 Ų85.313%0.13344%0.441CS..Hα-helixtrans-62.6-40.3177.5-175.90000111.5L698 C699 S700V696-L698 VanDerWaalsContact C-N 3.33Å; V696-L698 PolarHBondContact O-N 2.9Å; V696-C699 PolarHBondContact O-N 3.1Å; V696-S700 WeakPolarHBondContact O-CB 3.35Å; V696-S700 PolarHBondContact O-N 3.38Å; V696-S700 VanDerWaalsContact O-N 3.13Å; V696-S700 PolarHBondContact O-OG 2.79Å
697M31.8Very low43.7Very low136 Ų13692 Ų9267%0.6748%0.477SS*.Hα-helixtrans-67.4-31.1-178.7-157.8170.176.900112.8L694 S695L694-M697 HydrophobicContact CD2-CE 4.04Å; L694-M697 PolarHBondContact O-N 2.89Å; S695-M697 VanDerWaalsContact C-N 3.33Å; S695-M697 PolarHBondContact O-N 3.01Å
698L32.2Very low41.2Very low89 Ų8998.7 Ų98.747%0.46651%0.513SS..Hα-helixtrans-80.4-21.4175.8-70.8171000113.8L694 S695 V696L694-L698 WeakPolarHBondContact O-CG 3.02Å; L694-L698 PolarHBondContact O-N 3Å; L694-L698 VanDerWaalsContact O-N 3.11Å; S695-L698 PolarHBondContact O-N 3.18Å; V696-L698 VanDerWaalsContact C-N 3.33Å; V696-L698 PolarHBondContact O-N 2.9Å
699C32Very low38.9Very low70 Ų7095.2 Ų95.247%0.47350%0.504SS..Hα-helixtrans-94.4-20.8-179.5-70.80000114.4S695 V696S695-C699 PolarHBondContact O-N 3.31Å; V696-C699 PolarHBondContact O-N 3.1Å
700S32.5Very low37Very low60 Ų6099.1 Ų99.142%0.4252%0.523SS..  trans-110.185.2-170.1-67.50000114.8V696 R702V696-S700 WeakPolarHBondContact O-CB 3.35Å; V696-S700 PolarHBondContact O-N 3.38Å; V696-S700 VanDerWaalsContact O-N 3.13Å; V696-S700 PolarHBondContact O-OG 2.79Å; S700-R702 PolarHBondContact O-N 2.52Å
701R27.1Very low35.3Very low213 Ų213106.6 Ų106.680%0.80456%0.561SS**THydrogen-bonded Turntrans-7251.1173.2-66-171.8176.8-164.90.3114
702R29.6Very low34Very low231 Ų231109 Ų10987%0.87257%0.573SS**THydrogen-bonded Turntrans-137.1-2.4-176.9-86.7-165.6178.6-171.80117.7S700S700-R702 PolarHBondContact O-N 2.52Å
703F31.6Very low34Very low183 Ų183108.3 Ų108.380%0.80357%0.569SS**  trans-113.4125.5173.9-64.1-75.7000110.1
704S26.7Very low35.3Very low110 Ų110110.2 Ų110.277%0.76957%0.572SS**  trans-143.166.4-175.362.10000111
705N30.4Very low36.7Very low141 Ų141111.2 Ų111.275%0.75458%0.581SS**  trans-157.8146.8152.4-89.6-17.3000105.4
706V30.3Very low38Very low116 Ų116113.2 Ų113.270%0.70359%0.585SS**SBendtrans-96-28-155.9-179.50000113.2
707D33.3Very low39.3Very low142 Ų142113.5 Ų113.576%0.75958%0.584SS**SBendtrans-93.5-36.9-157.6-49.7-72.8000114.2A709D707-A709 PolarHBondContact O-N 3.03Å
708D31.8Very low41.5Very low139 Ų139108 Ų10874%0.74356%0.556SS**THydrogen-bonded Turntrans-70.8-10.1174.9-63.7-58.9000113.8N710D708-N710 VanDerWaalsContact C-N 3.27Å; D708-N710 PolarHBondContact O-N 2.82Å; D708-N710 VanDerWaalsContact O-N 3.1Å
709A34.9Very low43.6Very low43 Ų43104.1 Ų104.136%0.35554%0.537SS..THydrogen-bonded Turntrans-75.4-3-158.500000116.1D707 N713D707-A709 PolarHBondContact O-N 3.03Å; A709-N713 WeakPolarHBondContact O-CB 3.4Å; A709-N713 PolarHBondContact O-ND2 2.95Å
710N34.7Very low46Very low130 Ų130101.8 Ų101.870%0.69552%0.52SS*.THydrogen-bonded Turntrans-95.6-45.4-170.6-80-43.9000115.1D708D708-N710 VanDerWaalsContact C-N 3.27Å; D708-N710 PolarHBondContact O-N 2.82Å; D708-N710 VanDerWaalsContact O-N 3.1Å
711M33.7Very low48.6Very low169 Ų169100 Ų10083%0.83350%0.504SS*.THydrogen-bonded Turntrans-82.1-49.9-175.2-73.3-162.57300113.8N713 Q714M711-N713 PolarHBondContact O-N 3.41Å; M711-Q714 PolarHBondContact O-N 2.99Å; M711-Q714 VanDerWaalsContact O-N 3.15Å
712V39.1Very low51.3Low115 Ų11590.6 Ų90.670%0.69747%0.47SS*.Hα-helixtrans-58.1-24.4-178.4-172.40000112.2
713N55.8Low54.1Low54 Ų5481.7 Ų81.729%0.28944%0.441SS..Hα-helixtrans-77-19.3-174.5-153.6-30.9000113.2A709 M711 R717A709-N713 WeakPolarHBondContact O-CB 3.4Å; A709-N713 PolarHBondContact O-ND2 2.95Å; M711-N713 PolarHBondContact O-N 3.41Å; N713-R717 PolarHBondContact ND2-NH2 3.11Å; N713-R717 WeakPolarHBondContact O-CD 3.2Å; N713-R717 VanDerWaalsContact O-CG 3.3Å; N713-R717 WeakPolarHBondContact O-CG 3.23Å; N713-R717 PolarHBondContact O-NE 2.68Å; N713-R717 PolarHBondContact OD1-NE 3.24Å; N713-R717 VanDerWaalsContact OD1-NE 3.14Å; N713-R717 PolarHBondContact OD1-NH2 3.39Å
714Q63Low56.8Low105 Ų10573 Ų7349%0.49140%0.403SS..Hα-helixtrans-83.8-50.6-177.1-175.7165.9-5.100113.6M711 Y716 R717 H718M711-Q714 PolarHBondContact O-N 2.99Å; M711-Q714 VanDerWaalsContact O-N 3.15Å; Q714-Y716 PolarHBondContact O-N 3.09Å; Q714-R717 WeakPolarHBondContact O-CB 3.44Å; Q714-R717 PolarHBondContact O-N 2.85Å; Q714-H718 WeakPolarHBondContact CG-NE2 3.16Å; Q714-H718 PolarHBondContact NE2-CE1 2.86Å; Q714-H718 PolarHBondContact NE2-NE2 3.37Å; Q714-H718 VanDerWaalsContact NE2-NE2 3.19Å; Q714-H718 PolarHBondContact O-N 3.13Å
715S60.8Low60Low42 Ų4268.3 Ų68.329%0.29437%0.369SS..Hα-helixtrans-57.2-36.1176.7-53.50000111.6R717 H718 A719 P781S715-R717 PolarHBondContact O-N 2.75Å; S715-H718 PolarHBondContact O-N 2.97Å; S715-A719 PolarHBondContact O-N 3.43Å; S715-P781 WeakPolarHBondContact O-CD 3.35Å
716Y64.8Low62.7Low67 Ų6765.3 Ų65.326%0.26336%0.355SS..Hα-helixtrans-63-39.7176.1-153-80.2000112.9Q714 A719 E720 P781 C787 I789Q714-Y716 PolarHBondContact O-N 3.09Å; Y716-A719 PolarHBondContact O-N 3.41Å; Y716-E720 HydrophobicContact CD1-CG 4.34Å; Y716-E720 HydrophobicContact CE1-CG 4.28Å; Y716-E720 PolarHBondContact O-N 2.84Å; Y716-P781 HydrophobicContact CD2-CG 4.41Å; Y716-C787 WeakPolarHBondContact OH-CB 3.29Å; Y716-C787 PolarHBondContact OH-O 3.28Å; Y716-C787 VanDerWaalsContact OH-O 3.06Å; Y716-C787 PolarHBondContact OH-SG 3.17Å; Y716-I789 HydrophobicContact CD1-CD1 4.21Å; Y716-I789 HydrophobicContact CE1-CD1 3.69Å; Y716-I789 HydrophobicContact CE1-CG1 3.8Å; Y716-I789 HydrophobicContact CE2-CD1 4.13Å; Y716-I789 HydrophobicContact CE2-CG1 4.41Å; Y716-I789 WeakPolarHBondContact OH-CG1 3.31Å
717R69.2Low65.6Low28 Ų2862.3 Ų62.311%0.10633%0.331CS..Hα-helixtrans-66-42.6172.3-66.9167.7-151.7155.1-0.8111.5N713 Q714 S715 A719 E720 Q721N713-R717 PolarHBondContact ND2-NH2 3.11Å; N713-R717 WeakPolarHBondContact O-CD 3.2Å; N713-R717 VanDerWaalsContact O-CG 3.3Å; N713-R717 WeakPolarHBondContact O-CG 3.23Å; N713-R717 PolarHBondContact O-NE 2.68Å; N713-R717 PolarHBondContact OD1-NE 3.24Å; N713-R717 VanDerWaalsContact OD1-NE 3.14Å; N713-R717 PolarHBondContact OD1-NH2 3.39Å; Q714-R717 WeakPolarHBondContact O-CB 3.44Å; Q714-R717 PolarHBondContact O-N 2.85Å; S715-R717 PolarHBondContact O-N 2.75Å; R717-A719 PolarHBondContact O-N 3.46Å; R717-E720 PolarHBondContact O-N 3.34Å; R717-E720 VanDerWaalsContact O-N 3.15Å; R717-Q721 VanDerWaalsContact O-CG 3.31Å; R717-Q721 WeakPolarHBondContact O-CG 3.46Å; R717-Q721 PolarHBondContact O-N 2.82Å
718H77.9Confident68.4Low20 Ų2055.5 Ų55.59%0.09330%0.295CS..Hα-helixtrans-58.1-37.3176.4-61.8166.9000111.5Q714 S715 L722 L775 Y778Q714-H718 WeakPolarHBondContact CG-NE2 3.16Å; Q714-H718 PolarHBondContact NE2-CE1 2.86Å; Q714-H718 PolarHBondContact NE2-NE2 3.37Å; Q714-H718 VanDerWaalsContact NE2-NE2 3.19Å; Q714-H718 PolarHBondContact O-N 3.13Å; S715-H718 PolarHBondContact O-N 2.97Å; H718-L722 WeakPolarHBondContact O-CB 3.47Å; H718-L722 PolarHBondContact O-N 2.82Å; H718-L775 HydrophobicContact CB-CD2 3.89Å; H718-Y778 AromaticContact CE1-CG 3.92Å; H718-Y778 VanDerWaalsContact ND1-CB 3.32Å; H718-Y778 WeakPolarHBondContact ND1-CB 3.38Å
719A75.9Confident71.3Confident8 Ų850 Ų507%0.06627%0.265CS..Hα-helixtrans-71.3-40.5174.600000113.6S715 Y716 R717 Q721 L722 V723 L780 P781 I789S715-A719 PolarHBondContact O-N 3.43Å; Y716-A719 PolarHBondContact O-N 3.41Å; R717-A719 PolarHBondContact O-N 3.46Å; A719-Q721 VanDerWaalsContact C-N 3.32Å; A719-Q721 PolarHBondContact O-N 3.39Å; A719-L722 PolarHBondContact O-N 3.01Å; A719-V723 WeakPolarHBondContact O-CB 3.4Å; A719-V723 WeakPolarHBondContact O-CG2 3.49Å; A719-V723 PolarHBondContact O-N 3.27Å; A719-L780 HydrophobicContact CB-CD2 3.75Å; A719-P781 HydrophobicContact CB-CG 3.99Å; A719-I789 HydrophobicContact CB-CD1 3.44Å; A719-I789 VanDerWaalsContact CB-CD1 3.44Å
720E82.8Confident73.9Confident22 Ų2253.6 Ų53.610%0.10328%0.275CS..Hα-helixtrans-56.5-48170.1-73.1-160.9155.700110.9R690 Y716 R717 V723 I724 I789 L794R690-E720 WeakPolarHBondContact CD-OE2 3.25Å; R690-E720 IonicContact CZ-OE2 3.89Å; R690-E720 IonicContact NE-OE2 3.05Å; R690-E720 VanDerWaalsContact NH1-CD 3.26Å; R690-E720 IonicContact NH1-OE1 2.91Å; R690-E720 PolarHBondContact NH1-OE1 3.03Å; R690-E720 IonicContact NH1-OE2 3.08Å; R690-E720 PolarHBondContact NH1-OE2 3.37Å; Y716-E720 HydrophobicContact CD1-CG 4.34Å; Y716-E720 HydrophobicContact CE1-CG 4.28Å; Y716-E720 PolarHBondContact O-N 2.84Å; R717-E720 PolarHBondContact O-N 3.34Å; R717-E720 VanDerWaalsContact O-N 3.15Å; E720-V723 PolarHBondContact O-N 2.87Å; E720-I724 VanDerWaalsContact O-CD1 3.29Å; E720-I724 WeakPolarHBondContact O-CD1 3.45Å; E720-I724 VanDerWaalsContact O-CG1 3.28Å; E720-I724 WeakPolarHBondContact O-CG1 3.29Å; E720-I724 PolarHBondContact O-N 3.35Å; E720-I789 HydrophobicContact CG-CD1 4.45Å; E720-I789 HydrophobicContact CG-CG2 4.22Å; E720-L794 HydrophobicContact CB-CD1 4.01Å; E720-L794 HydrophobicContact CG-CD1 4.21Å; E720-L794 HydrophobicContact CG-CD2 4.23Å; E720-L794 WeakPolarHBondContact OE1-CD2 3.24Å
721Q86.6Confident76.5Confident21 Ų2148.6 Ų48.610%0.09825%0.247CC..Hα-helixtrans-62.7-44.8178.5-66.4-178.4-86.200112.3A687 R690 R717 A719 V723 I724 Y725 L775A687-Q721 WeakPolarHBondContact O-CG 3.19Å; A687-Q721 PolarHBondContact O-NE2 3.15Å; R690-Q721 HydrophobicContact CB-CG 4.36Å; R717-Q721 VanDerWaalsContact O-CG 3.31Å; R717-Q721 WeakPolarHBondContact O-CG 3.46Å; R717-Q721 PolarHBondContact O-N 2.82Å; A719-Q721 VanDerWaalsContact C-N 3.32Å; A719-Q721 PolarHBondContact O-N 3.39Å; Q721-V723 PolarHBondContact O-N 2.67Å; Q721-I724 PolarHBondContact O-N 2.72Å; Q721-Y725 HydrophobicContact CB-CE2 4.48Å; Q721-Y725 WeakPolarHBondContact O-CD2 3.37Å; Q721-Y725 PolarHBondContact O-N 3.17Å; Q721-L775 HydrophobicContact CB-CD1 3.54Å; Q721-L775 HydrophobicContact CB-CD2 4.24Å
722L85.4Confident79.3Confident16 Ų1640.5 Ų40.58%0.08421%0.208CC..Hα-helixtrans-60.9-45.5179.5179.963.2000111.1H718 A719 I724 Y725 V726 S772 L775 I776 L780H718-L722 WeakPolarHBondContact O-CB 3.47Å; H718-L722 PolarHBondContact O-N 2.82Å; A719-L722 PolarHBondContact O-N 3.01Å; L722-I724 VanDerWaalsContact C-N 3.27Å; L722-I724 PolarHBondContact O-N 2.83Å; L722-Y725 PolarHBondContact O-N 2.76Å; L722-V726 HydrophobicContact CD1-CG2 3.96Å; L722-V726 HydrophobicContact CG-CG2 4.19Å; L722-V726 WeakPolarHBondContact O-CB 3.28Å; L722-V726 VanDerWaalsContact O-CG2 3.31Å; L722-V726 WeakPolarHBondContact O-CG2 3.46Å; L722-V726 PolarHBondContact O-N 3.14Å; L722-S772 VanDerWaalsContact CD1-CB 3.47Å; L722-S772 WeakPolarHBondContact CD1-O 3.12Å; L722-L775 HydrophobicContact CB-CB 4.32Å; L722-L775 HydrophobicContact CB-CD1 4.5Å; L722-L775 HydrophobicContact CD1-CB 4.43Å; L722-I776 HydrophobicContact CD1-CD1 4.2Å; L722-I776 HydrophobicContact CD1-CG1 3.98Å; L722-I776 HydrophobicContact CD2-CD1 4.45Å; L722-I776 HydrophobicContact CD2-CG1 3.73Å; L722-L780 HydrophobicContact CD2-CD1 3.84Å; L722-L780 HydrophobicContact CD2-CD2 3.74Å; L722-L780 HydrophobicContact CD2-CG 4.27Å
723V86.5Confident81.6Confident45 Ų4537.3 Ų37.327%0.27319%0.19SC..Hα-helixtrans-62.5-34.2179167.20000111.8A719 E720 Q721 R727 I789 A791A719-V723 WeakPolarHBondContact O-CB 3.4Å; A719-V723 WeakPolarHBondContact O-CG2 3.49Å; A719-V723 PolarHBondContact O-N 3.27Å; E720-V723 PolarHBondContact O-N 2.87Å; Q721-V723 PolarHBondContact O-N 2.67Å; V723-R727 PolarHBondContact O-N 2.72Å; V723-R727 VanDerWaalsContact O-N 3.17Å; V723-I789 HydrophobicContact CB-CG2 3.87Å; V723-I789 HydrophobicContact CG1-CG2 4.08Å; V723-I789 HydrophobicContact CG2-CB 4.42Å; V723-I789 HydrophobicContact CG2-CG2 3.8Å; V723-A791 HydrophobicContact CG1-CB 3.73Å; V723-A791 VanDerWaalsContact CG1-N 3.28Å
724I90.1Very high83.2Confident1 Ų137.3 Ų37.31%0.00520%0.195CC..Hα-helixtrans-68.3-47.6172.5-63.2155.5000111.3L683 L686 A687 R690 E720 Q721 L722 V726 R727 A728 L794L683-I724 HydrophobicContact CB-CG2 3.96Å; L683-I724 HydrophobicContact CD2-CG2 4.21Å; L683-I724 VanDerWaalsContact O-CG2 3.24Å; L683-I724 WeakPolarHBondContact O-CG2 3.38Å; L686-I724 HydrophobicContact CD2-CD1 4.23Å; L686-I724 HydrophobicContact CD2-CG1 4.45Å; L686-I724 HydrophobicContact CG-CD1 3.78Å; L686-I724 HydrophobicContact CG-CG1 4.46Å; A687-I724 HydrophobicContact CB-CB 4.18Å; A687-I724 HydrophobicContact CB-CD1 4.38Å; A687-I724 HydrophobicContact CB-CG2 3.86Å; R690-I724 HydrophobicContact CG-CD1 4.43Å; E720-I724 VanDerWaalsContact O-CD1 3.29Å; E720-I724 WeakPolarHBondContact O-CD1 3.45Å; E720-I724 VanDerWaalsContact O-CG1 3.28Å; E720-I724 WeakPolarHBondContact O-CG1 3.29Å; E720-I724 PolarHBondContact O-N 3.35Å; Q721-I724 PolarHBondContact O-N 2.72Å; L722-I724 VanDerWaalsContact C-N 3.27Å; L722-I724 PolarHBondContact O-N 2.83Å; I724-V726 PolarHBondContact O-N 3.47Å; I724-R727 PolarHBondContact O-N 2.94Å; I724-A728 PolarHBondContact O-N 2.92Å; I724-L794 HydrophobicContact CD1-CD1 3.97Å; I724-L794 HydrophobicContact CG1-CB 4.46Å; I724-L794 HydrophobicContact CG1-CD1 3.88Å
725Y92.4Very high84.5Confident10 Ų1032.5 Ų32.54%0.03917%0.173CC..Hα-helixtrans-65-37.1179.2-76.4-60.4000112.9T684 A687 Q721 L722 A728 L729 C768 R771 L775T684-Y725 HydrophobicContact CG2-CE1 4.45Å; A687-Y725 HydrophobicContact CB-CD2 4.07Å; A687-Y725 HydrophobicContact CB-CE1 4.04Å; A687-Y725 HydrophobicContact CB-CE2 3.55Å; Q721-Y725 HydrophobicContact CB-CE2 4.48Å; Q721-Y725 WeakPolarHBondContact O-CD2 3.37Å; Q721-Y725 PolarHBondContact O-N 3.17Å; L722-Y725 PolarHBondContact O-N 2.76Å; Y725-A728 WeakPolarHBondContact O-CB 3.3Å; Y725-A728 PolarHBondContact O-N 3.46Å; Y725-L729 WeakPolarHBondContact O-CG 3.28Å; Y725-L729 PolarHBondContact O-N 3.24Å; Y725-C768 HydrophobicContact CD1-CB 3.95Å; Y725-R771 HydrophobicContact CD1-CB 4.25Å; Y725-R771 HydrophobicContact CD2-CB 3.93Å; Y725-R771 HydrophobicContact CE1-CB 3.96Å; Y725-R771 HydrophobicContact CE1-CG 4.29Å; Y725-R771 HydrophobicContact CE2-CB 3.6Å; Y725-R771 HydrophobicContact CE2-CG 4.29Å; Y725-R771 HydrophobicContact CG-CB 4.25Å; Y725-L775 HydrophobicContact CD2-CD1 3.57Å; Y725-L775 HydrophobicContact CE2-CD1 3.81Å
726V88.5Confident85.8Confident78 Ų7833 Ų3347%0.47317%0.171SC..Hα-helixtrans-65.9-38.9174.7170.30000111.3L722 I724 L729 H730L722-V726 HydrophobicContact CD1-CG2 3.96Å; L722-V726 HydrophobicContact CG-CG2 4.19Å; L722-V726 WeakPolarHBondContact O-CB 3.28Å; L722-V726 VanDerWaalsContact O-CG2 3.31Å; L722-V726 WeakPolarHBondContact O-CG2 3.46Å; L722-V726 PolarHBondContact O-N 3.14Å; I724-V726 PolarHBondContact O-N 3.47Å; V726-L729 PolarHBondContact O-N 3.05Å; V726-H730 PolarHBondContact O-N 2.93Å
727R91.1Very high86.9Confident53 Ų5335 Ų3520%0.218%0.183CC..Hα-helixtrans-66-37.5173-174.753.6156.7-140-16.8112.1L683 V723 I724 M731 A791 E792 M795L683-R727 HydrophobicContact CD1-CG 4.42Å; V723-R727 PolarHBondContact O-N 2.72Å; V723-R727 VanDerWaalsContact O-N 3.17Å; I724-R727 PolarHBondContact O-N 2.94Å; R727-M731 WeakPolarHBondContact O-CG 3.32Å; R727-M731 PolarHBondContact O-N 3.48Å; R727-M731 VanDerWaalsContact O-N 3.14Å; R727-A791 HydrophobicContact CB-CB 3.78Å; R727-A791 HydrophobicContact CG-CB 4.03Å; R727-E792 IonicContact CZ-OE1 2.69Å; R727-E792 IonicContact NH1-OE1 2.66Å; R727-E792 IonicContact NH2-OE1 3.05Å; R727-E792 PolarHBondContact NH2-OE1 3.2Å; R727-M795 HydrophobicContact CG-CE 4.35Å
728A92.3Very high87.8Confident0 Ų036.2 Ų36.20%019%0.192CC..Hα-helixtrans-63.3-48.4173.300000111.6L683 I724 Y725 H730 M731 I732L683-A728 HydrophobicContact CB-CB 4.33Å; L683-A728 HydrophobicContact CD1-CB 4.01Å; I724-A728 PolarHBondContact O-N 2.92Å; Y725-A728 WeakPolarHBondContact O-CB 3.3Å; Y725-A728 PolarHBondContact O-N 3.46Å; A728-H730 VanDerWaalsContact C-N 3.35Å; A728-H730 PolarHBondContact O-N 3.27Å; A728-M731 PolarHBondContact O-N 2.97Å; A728-M731 VanDerWaalsContact O-N 3.15Å; A728-I732 WeakPolarHBondContact O-CD1 3.49Å; A728-I732 VanDerWaalsContact O-CG1 3.24Å; A728-I732 WeakPolarHBondContact O-CG1 3.43Å; A728-I732 PolarHBondContact O-N 3.31Å
729L91.8Very high88.3Confident23 Ų2335.4 Ų35.412%0.1219%0.189CC..Hα-helixtrans-56.2-45177.4-75.9168.7000113Y725 V726 I732 S733 F765 C768 L769Y725-L729 WeakPolarHBondContact O-CG 3.28Å; Y725-L729 PolarHBondContact O-N 3.24Å; V726-L729 PolarHBondContact O-N 3.05Å; L729-I732 PolarHBondContact O-N 3.49Å; L729-S733 VanDerWaalsContact O-CB 3.32Å; L729-S733 WeakPolarHBondContact O-CB 3.48Å; L729-S733 PolarHBondContact O-N 3.29Å; L729-F765 HydrophobicContact CD2-CD2 3.6Å; L729-F765 HydrophobicContact CD2-CE2 3.67Å; L729-F765 HydrophobicContact CD2-CG 4.18Å; L729-F765 HydrophobicContact CD2-CZ 4.3Å; L729-F765 WeakPolarHBondContact CD2-O 3.31Å; L729-C768 HydrophobicContact CD2-CB 3.77Å; L729-C768 HydrophobicContact CG-CB 3.76Å; L729-L769 HydrophobicContact CD1-CD1 4.43Å; L729-L769 HydrophobicContact CD2-CB 3.97Å
730H88.6Confident88.9Confident119 Ų11940.1 Ų40.155%0.55121%0.209SC*.Hα-helixtrans-59.3-49.7175.6-169160.3000110.7V726 A728 I732 S733 S734V726-H730 PolarHBondContact O-N 2.93Å; A728-H730 VanDerWaalsContact C-N 3.35Å; A728-H730 PolarHBondContact O-N 3.27Å; H730-I732 VanDerWaalsContact C-N 3.34Å; H730-I732 PolarHBondContact O-N 3.33Å; H730-S733 PolarHBondContact O-N 3.44Å; H730-S734 PolarHBondContact O-N 2.95Å; H730-S734 PolarHBondContact O-OG 2.95Å
731M90.5Very high89.2Confident24 Ų2445 Ų4512%0.11823%0.232CC..Hα-helixtrans-61.7-39.6179.4-71.6-17262.800113V676 V679 V680 L683 R727 A728 S735 T831V676-M731 HydrophobicContact CG1-CB 4.22Å; V676-M731 HydrophobicContact CG1-CE 4.47Å; V679-M731 HydrophobicContact CB-CE 3.92Å; V679-M731 HydrophobicContact CG1-CE 3.63Å; V679-M731 HydrophobicContact CG1-SD 3.9Å; V679-M731 HydrophobicContact CG2-CE 4.28Å; V680-M731 HydrophobicContact CG2-CB 4.45Å; L683-M731 HydrophobicContact CD1-SD 4.34Å; R727-M731 WeakPolarHBondContact O-CG 3.32Å; R727-M731 PolarHBondContact O-N 3.48Å; R727-M731 VanDerWaalsContact O-N 3.14Å; A728-M731 PolarHBondContact O-N 2.97Å; A728-M731 VanDerWaalsContact O-N 3.15Å; M731-S735 WeakPolarHBondContact O-CB 3.19Å; M731-S735 PolarHBondContact O-N 3.4Å; M731-S735 VanDerWaalsContact O-N 3.12Å; M731-S735 PolarHBondContact O-OG 3.29Å; M731-T831 HydrophobicContact CE-CG2 4.22Å; M731-T831 HydrophobicContact SD-CG2 4.44Å
732I91.5Very high89.3Confident0 Ų045.1 Ų45.10%023%0.233CC..Hα-helixtrans-66.2-49.6176.5-58.8157.6000110.3V680 A728 L729 H730 S734 S735 L736 L761 F765V680-I732 HydrophobicContact CB-CG1 4.34Å; V680-I732 HydrophobicContact CG1-CD1 3.7Å; V680-I732 HydrophobicContact CG1-CG1 3.89Å; V680-I732 HydrophobicContact CG2-CD1 4.18Å; V680-I732 HydrophobicContact CG2-CG1 3.53Å; A728-I732 WeakPolarHBondContact O-CD1 3.49Å; A728-I732 VanDerWaalsContact O-CG1 3.24Å; A728-I732 WeakPolarHBondContact O-CG1 3.43Å; A728-I732 PolarHBondContact O-N 3.31Å; L729-I732 PolarHBondContact O-N 3.49Å; H730-I732 VanDerWaalsContact C-N 3.34Å; H730-I732 PolarHBondContact O-N 3.33Å; I732-S734 PolarHBondContact O-N 2.82Å; I732-S735 WeakPolarHBondContact CA-OG 3.36Å; I732-S735 WeakPolarHBondContact O-CA 3.37Å; I732-S735 PolarHBondContact O-N 2.89Å; I732-S735 PolarHBondContact O-OG 3.26Å; I732-L736 HydrophobicContact CG2-CD1 3.9Å; I732-L736 HydrophobicContact CG2-CG 4.19Å; I732-L736 WeakPolarHBondContact O-CG 3.34Å; I732-L736 PolarHBondContact O-N 3.38Å; I732-L761 HydrophobicContact CG1-CD2 4.49Å; I732-L761 HydrophobicContact CG2-CB 4.34Å; I732-L761 HydrophobicContact CG2-CD2 4.39Å; I732-L761 WeakPolarHBondContact CG2-O 3.42Å; I732-F765 HydrophobicContact CB-CD2 4.2Å; I732-F765 HydrophobicContact CD1-CB 4.41Å; I732-F765 HydrophobicContact CG2-CB 3.89Å; I732-F765 HydrophobicContact CG2-CD2 3.98Å; I732-F765 HydrophobicContact CG2-CG 4.39Å
733S89Confident89.3Confident47 Ų4746.6 Ų46.633%0.32924%0.242SC..Hα-helixtrans-54.9-48.7179.2-179.90000111.9L729 H730 S735 L736 Q737L729-S733 VanDerWaalsContact O-CB 3.32Å; L729-S733 WeakPolarHBondContact O-CB 3.48Å; L729-S733 PolarHBondContact O-N 3.29Å; H730-S733 PolarHBondContact O-N 3.44Å; S733-S735 VanDerWaalsContact C-N 3.29Å; S733-S735 PolarHBondContact O-N 3.05Å; S733-L736 PolarHBondContact O-N 2.98Å; S733-Q737 WeakPolarHBondContact O-CG 3.02Å; S733-Q737 PolarHBondContact O-N 2.89Å
734S88.7Confident89.3Confident55 Ų5549.4 Ų49.439%0.38526%0.256SS..Hα-helixtrans-63.1-32.2175.6-56.50000113.2H730 I732 L738H730-S734 PolarHBondContact O-N 2.95Å; H730-S734 PolarHBondContact O-OG 2.95Å; I732-S734 PolarHBondContact O-N 2.82Å; S734-L738 WeakPolarHBondContact O-CB 3.34Å; S734-L738 PolarHBondContact O-N 3.34Å
735S89.7Confident89.1Confident4 Ų452.1 Ų52.13%0.02828%0.279CS..Hα-helixtrans-74.7-34.3176.470.80000113.5L673 M731 I732 S733 L738 A739L673-S735 VanDerWaalsContact CD2-O 3.26Å; L673-S735 WeakPolarHBondContact CD2-O 3.06Å; M731-S735 WeakPolarHBondContact O-CB 3.19Å; M731-S735 PolarHBondContact O-N 3.4Å; M731-S735 VanDerWaalsContact O-N 3.12Å; M731-S735 PolarHBondContact O-OG 3.29Å; I732-S735 WeakPolarHBondContact CA-OG 3.36Å; I732-S735 WeakPolarHBondContact O-CA 3.37Å; I732-S735 PolarHBondContact O-N 2.89Å; I732-S735 PolarHBondContact O-OG 3.26Å; S733-S735 VanDerWaalsContact C-N 3.29Å; S733-S735 PolarHBondContact O-N 3.05Å; S735-L738 PolarHBondContact O-N 3.26Å; S735-A739 WeakPolarHBondContact O-CB 3.01Å; S735-A739 PolarHBondContact O-N 2.93Å
736L88.5Confident88.6Confident51 Ų5159.2 Ų59.227%0.26731%0.309SS..Hα-helixtrans-70.4-40173.3-65.8174.8000110.8I732 S733 A739 Q740 L758 L761I732-L736 HydrophobicContact CG2-CD1 3.9Å; I732-L736 HydrophobicContact CG2-CG 4.19Å; I732-L736 WeakPolarHBondContact O-CG 3.34Å; I732-L736 PolarHBondContact O-N 3.38Å; S733-L736 PolarHBondContact O-N 2.98Å; L736-A739 PolarHBondContact O-N 2.8Å; L736-Q740 WeakPolarHBondContact O-CB 3.3Å; L736-Q740 PolarHBondContact O-N 2.73Å; L736-L758 HydrophobicContact CD2-CD2 4.01Å; L736-L761 HydrophobicContact CD2-CB 4.27Å
737Q88.1Confident88.4Confident110 Ų11059.8 Ų59.851%0.51430%0.303SS..Hα-helixtrans-61.7-43.2171.4-73.3177.5-11.600112.3S733 Q740 Q741S733-Q737 WeakPolarHBondContact O-CG 3.02Å; S733-Q737 PolarHBondContact O-N 2.89Å; Q737-Q740 PolarHBondContact O-N 3.04Å; Q737-Q741 WeakPolarHBondContact O-CB 3.29Å; Q737-Q741 VanDerWaalsContact O-CG 3.29Å; Q737-Q741 WeakPolarHBondContact O-CG 3.26Å; Q737-Q741 PolarHBondContact O-N 3.17Å
738L87.8Confident88.2Confident53 Ų5357.4 Ų57.428%0.27729%0.294SS..Hα-helixtrans-62.5-43174.3178.265.1000111.6S734 S735 Q741 E742S734-L738 WeakPolarHBondContact O-CB 3.34Å; S734-L738 PolarHBondContact O-N 3.34Å; S735-L738 PolarHBondContact O-N 3.26Å; L738-Q741 PolarHBondContact O-N 2.95Å; L738-E742 HydrophobicContact CD1-CG 3.77Å; L738-E742 HydrophobicContact CG-CG 4.27Å; L738-E742 WeakPolarHBondContact O-CB 2.82Å; L738-E742 VanDerWaalsContact O-CG 3.25Å; L738-E742 WeakPolarHBondContact O-CG 3.45Å; L738-E742 PolarHBondContact O-N 3.37Å
739A88.9Confident87.8Confident4 Ų462.5 Ų62.53%0.03331%0.314CS..Hα-helixtrans-61.7-44.5177.200000111.8L673 S735 L736 E742 V743 L748 L758L673-A739 HydrophobicContact CD1-CB 3.99Å; L673-A739 HydrophobicContact CD2-CB 4.15Å; S735-A739 WeakPolarHBondContact O-CB 3.01Å; S735-A739 PolarHBondContact O-N 2.93Å; L736-A739 PolarHBondContact O-N 2.8Å; A739-E742 PolarHBondContact O-N 2.92Å; A739-V743 WeakPolarHBondContact O-CB 3.21Å; A739-V743 WeakPolarHBondContact O-CG2 3.37Å; A739-V743 PolarHBondContact O-N 3.11Å; A739-L748 HydrophobicContact CB-CD2 4.13Å; A739-L758 HydrophobicContact CB-CD2 3.55Å
740Q88.8Confident87.3Confident107 Ų10765.4 Ų65.450%0.533%0.333SS..Hα-helixtrans-59.1-54175.2-175.659.949.800111L736 Q737 E742 V743 D744L736-Q740 WeakPolarHBondContact O-CB 3.3Å; L736-Q740 PolarHBondContact O-N 2.73Å; Q737-Q740 PolarHBondContact O-N 3.04Å; Q740-E742 VanDerWaalsContact C-N 3.32Å; Q740-E742 PolarHBondContact O-N 2.9Å; Q740-V743 PolarHBondContact O-N 3.42Å; Q740-V743 VanDerWaalsContact O-N 3.17Å; Q740-D744 PolarHBondContact NE2-OD1 2.89Å; Q740-D744 PolarHBondContact NE2-OD2 2.74Å; Q740-D744 VanDerWaalsContact O-CG 3.26Å; Q740-D744 PolarHBondContact O-N 3.12Å
741Q87.8Confident86.9Confident125 Ų12560.7 Ų60.758%0.58431%0.313SS*.Hα-helixtrans-58.2-40.1-179.6-73172.74.100113.1Q737 L738 A745Q737-Q741 WeakPolarHBondContact O-CB 3.29Å; Q737-Q741 VanDerWaalsContact O-CG 3.29Å; Q737-Q741 WeakPolarHBondContact O-CG 3.26Å; Q737-Q741 PolarHBondContact O-N 3.17Å; L738-Q741 PolarHBondContact O-N 2.95Å; Q741-A745 WeakPolarHBondContact O-CB 3.33Å; Q741-A745 PolarHBondContact O-N 3.48Å
742E88.8Confident86.3Confident22 Ų2264.1 Ų64.110%0.10334%0.34CS..Hα-helixtrans-80.1-24-179.5-64.4-78.5-153.500113I669 L738 A739 Q740 K746 R747 L748I669-E742 HydrophobicContact CD1-CB 3.99Å; I669-E742 VanDerWaalsContact CD1-CD 3.47Å; I669-E742 HydrophobicContact CD1-CG 3.88Å; I669-E742 HydrophobicContact CG1-CG 4.23Å; I669-E742 HydrophobicContact CG2-CB 4.08Å; I669-E742 HydrophobicContact CG2-CG 4.02Å; L738-E742 HydrophobicContact CD1-CG 3.77Å; L738-E742 HydrophobicContact CG-CG 4.27Å; L738-E742 WeakPolarHBondContact O-CB 2.82Å; L738-E742 VanDerWaalsContact O-CG 3.25Å; L738-E742 WeakPolarHBondContact O-CG 3.45Å; L738-E742 PolarHBondContact O-N 3.37Å; A739-E742 PolarHBondContact O-N 2.92Å; Q740-E742 VanDerWaalsContact C-N 3.32Å; Q740-E742 PolarHBondContact O-N 2.9Å; E742-K746 PolarHBondContact O-N 2.86Å; E742-R747 PolarHBondContact O-N 3.21Å; E742-R747 IonicContact OE1-CZ 3.96Å; E742-R747 IonicContact OE1-NH1 3.64Å; E742-R747 PolarHBondContact OE1-NH1 2.9Å; E742-R747 IonicContact OE2-CZ 2.75Å; E742-R747 IonicContact OE2-NE 3.96Å; E742-R747 IonicContact OE2-NH1 3.98Å; E742-R747 PolarHBondContact OE2-NH1 3.02Å; E742-L748 HydrophobicContact CB-CB 3.79Å; E742-L748 PolarHBondContact O-N 3.25Å
743V86.1Confident85.8Confident47 Ų4765 Ų6529%0.28535%0.345SS..Hα-helixtrans-69.1-47.1166.81660000110A739 Q740 A745 K746 L748 V750A739-V743 WeakPolarHBondContact O-CB 3.21Å; A739-V743 WeakPolarHBondContact O-CG2 3.37Å; A739-V743 PolarHBondContact O-N 3.11Å; Q740-V743 PolarHBondContact O-N 3.42Å; Q740-V743 VanDerWaalsContact O-N 3.17Å; V743-A745 PolarHBondContact O-N 3.3Å; V743-K746 WeakPolarHBondContact O-CA 3.43Å; V743-K746 PolarHBondContact O-N 3.19Å; V743-L748 HydrophobicContact CG2-CB 4.22Å; V743-L748 HydrophobicContact CG2-CD2 4.21Å; V743-L748 HydrophobicContact CG2-CG 4.33Å; V743-L748 WeakPolarHBondContact CG2-O 3.26Å; V743-V750 HydrophobicContact CG1-CG2 4.42Å; V743-V750 HydrophobicContact CG2-CG2 4.21Å
744D85.5Confident85.6Confident104 Ų10462.7 Ų62.756%0.55633%0.329SS*.Hα-helixtrans-64.6-39.1178.6-65.9-32.5000111.7Q740 K746Q740-D744 PolarHBondContact NE2-OD1 2.89Å; Q740-D744 PolarHBondContact NE2-OD2 2.74Å; Q740-D744 VanDerWaalsContact O-CG 3.26Å; Q740-D744 PolarHBondContact O-N 3.12Å; D744-K746 PolarHBondContact O-N 3.21Å
745A86.4Confident85.5Confident59 Ų5966 Ų6649%0.48834%0.336SS..THydrogen-bonded Turntrans-73.5-1.9170.700000114Q741 V743 R747Q741-A745 WeakPolarHBondContact O-CB 3.33Å; Q741-A745 PolarHBondContact O-N 3.48Å; V743-A745 PolarHBondContact O-N 3.3Å; A745-R747 PolarHBondContact O-N 2.82Å
746K83.4Confident85.4Confident158 Ų15872.1 Ų72.169%0.68736%0.359SS*.THydrogen-bonded Turntrans61.520.7178.1-55.2178.4-177.51770115.4E742 V743 D744E742-K746 PolarHBondContact O-N 2.86Å; V743-K746 WeakPolarHBondContact O-CA 3.43Å; V743-K746 PolarHBondContact O-N 3.19Å; D744-K746 PolarHBondContact O-N 3.21Å
747R83.9Confident85.4Confident91 Ų9169.7 Ų69.734%0.34335%0.346SS..  trans-91.9-22.3176.3-67.4172.368.7-132.35.3112.5D665 H666 I669 E742 A745D665-R747 IonicContact OD2-CZ 2.67Å; D665-R747 IonicContact OD2-NE 2.75Å; D665-R747 PolarHBondContact OD2-NE 3.14Å; D665-R747 IonicContact OD2-NH2 3.98Å; D665-R747 PolarHBondContact OD2-NH2 3.05Å; H666-R747 VanDerWaalsContact CA-O 3.25Å; H666-R747 WeakPolarHBondContact CA-O 3.37Å; H666-R747 WeakPolarHBondContact CB-O 3.24Å; H666-R747 PolarHBondContact N-O 2.98Å; I669-R747 HydrophobicContact CD1-CB 3.78Å; E742-R747 PolarHBondContact O-N 3.21Å; E742-R747 IonicContact OE1-CZ 3.96Å; E742-R747 IonicContact OE1-NH1 3.64Å; E742-R747 PolarHBondContact OE1-NH1 2.9Å; E742-R747 IonicContact OE2-CZ 2.75Å; E742-R747 IonicContact OE2-NE 3.96Å; E742-R747 IonicContact OE2-NH1 3.98Å; E742-R747 PolarHBondContact OE2-NH1 3.02Å; A745-R747 PolarHBondContact O-N 2.82Å
748L87.1Confident85.5Confident3 Ų366.3 Ų66.32%0.01633%0.332CS..SBendtrans-109.787.6173.7-173.865.7000111.3I669 L673 A739 E742 V743 V754I669-L748 HydrophobicContact CB-CD1 4.12Å; I669-L748 HydrophobicContact CG2-CB 4.19Å; I669-L748 HydrophobicContact CG2-CD1 3.82Å; I669-L748 HydrophobicContact CG2-CD2 3.92Å; I669-L748 HydrophobicContact CG2-CG 4.2Å; L673-L748 HydrophobicContact CD1-CD2 3.73Å; A739-L748 HydrophobicContact CB-CD2 4.13Å; E742-L748 HydrophobicContact CB-CB 3.79Å; E742-L748 PolarHBondContact O-N 3.25Å; V743-L748 HydrophobicContact CG2-CB 4.22Å; V743-L748 HydrophobicContact CG2-CD2 4.21Å; V743-L748 HydrophobicContact CG2-CG 4.33Å; V743-L748 WeakPolarHBondContact CG2-O 3.26Å; L748-V754 HydrophobicContact CD1-CG2 3.7Å; L748-V754 HydrophobicContact CD2-CG1 4.32Å; L748-V754 HydrophobicContact CG-CG1 4.38Å; L748-V754 HydrophobicContact CG-CG2 4.25Å
749Y82.8Confident85.5Confident107 Ų10768.7 Ų68.742%0.4234%0.344SS..  trans-59.8139.2170.5-60.4-79.2000112.4L662 H666 S751L662-Y749 HydrophobicContact CD2-CD2 4.27Å; H666-Y749 HydrophobicContact CB-CD2 4.32Å; H666-Y749 PolarHBondContact CE1-O 3.17Å; H666-Y749 PolarHBondContact ND1-N 3.34Å; H666-Y749 PolarHBondContact ND1-O 2.86Å; Y749-S751 VanDerWaalsContact C-N 3.3Å; Y749-S751 PolarHBondContact O-N 2.92Å
750V81.7Confident85.5Confident83 Ų8371.1 Ų71.150%0.50336%0.355SS..  trans-80.172.2-175.1-169.40000111.7V743 K755V743-V750 HydrophobicContact CG1-CG2 4.42Å; V743-V750 HydrophobicContact CG2-CG2 4.21Å; V750-K755 HydrophobicContact CG1-CD 4.27Å; V750-K755 HydrophobicContact CG1-CG 3.7Å
751S80.4Confident85.6Confident20 Ų2066 Ų6614%0.1433%0.331CS..  trans-72.7166.5175.674.40000112.7Y749 T753 V754 K755Y749-S751 VanDerWaalsContact C-N 3.3Å; Y749-S751 PolarHBondContact O-N 2.92Å; S751-T753 VanDerWaalsContact C-N 3.28Å; S751-T753 PolarHBondContact O-N 3.44Å; S751-V754 PolarHBondContact O-N 3.46Å; S751-V754 WeakPolarHBondContact OG-CG2 3.48Å; S751-V754 PolarHBondContact OG-N 3.19Å; S751-V754 VanDerWaalsContact OG-N 3.13Å; S751-K755 WeakPolarHBondContact O-CG 3.18Å; S751-K755 PolarHBondContact O-N 3.11Å
752S77.3Confident85.6Confident97 Ų9763.3 Ų63.368%0.67832%0.321SS*.Hα-helixtrans-57.9-39.917447.50000112.4K755 R756S752-K755 PolarHBondContact O-N 3.46Å; S752-R756 WeakPolarHBondContact O-CB 3.16Å; S752-R756 PolarHBondContact O-N 3.11Å
753T80.9Confident85.5Confident17 Ų1768.4 Ų68.410%0.10435%0.345CS..Hα-helixtrans-71.8-35.1176.5-58.90000112.1E659 L670 S751 R756 V757E659-T753 WeakPolarHBondContact OE1-CB 3.37Å; E659-T753 PolarHBondContact OE1-OG1 2.74Å; L670-T753 HydrophobicContact CD1-CG2 4.29Å; L670-T753 HydrophobicContact CD2-CG2 4.09Å; S751-T753 VanDerWaalsContact C-N 3.28Å; S751-T753 PolarHBondContact O-N 3.44Å; T753-R756 PolarHBondContact O-N 2.84Å; T753-V757 HydrophobicContact CG2-CG2 4.44Å; T753-V757 VanDerWaalsContact O-CG2 3.28Å; T753-V757 WeakPolarHBondContact O-CG2 3.49Å; T753-V757 PolarHBondContact O-N 2.89Å
754V85.6Confident85.6Confident0 Ų067.2 Ų67.20%034%0.338CS..Hα-helixtrans-61.1-50.3169.6167.40000110.8L670 L748 S751 R756 V757 L758L670-V754 HydrophobicContact CD1-CG2 3.9Å; L670-V754 HydrophobicContact CD2-CG2 4.41Å; L748-V754 HydrophobicContact CD1-CG2 3.7Å; L748-V754 HydrophobicContact CD2-CG1 4.32Å; L748-V754 HydrophobicContact CG-CG1 4.38Å; L748-V754 HydrophobicContact CG-CG2 4.25Å; S751-V754 PolarHBondContact O-N 3.46Å; S751-V754 WeakPolarHBondContact OG-CG2 3.48Å; S751-V754 PolarHBondContact OG-N 3.19Å; S751-V754 VanDerWaalsContact OG-N 3.13Å; V754-R756 VanDerWaalsContact C-N 3.31Å; V754-R756 PolarHBondContact O-N 3.31Å; V754-V757 PolarHBondContact O-N 3.38Å; V754-L758 HydrophobicContact CG1-CD1 3.71Å; V754-L758 HydrophobicContact CG1-CG 4.25Å; V754-L758 WeakPolarHBondContact O-CG 3.48Å; V754-L758 PolarHBondContact O-N 3.11Å
755K85.2Confident85.8Confident124 Ų12464.7 Ų64.754%0.53932%0.322SS..Hα-helixtrans-55.5-45.8177.2-70.1-173.2-179.8-168.50111.8V750 S751 S752 L758 N759V750-K755 HydrophobicContact CG1-CD 4.27Å; V750-K755 HydrophobicContact CG1-CG 3.7Å; S751-K755 WeakPolarHBondContact O-CG 3.18Å; S751-K755 PolarHBondContact O-N 3.11Å; S752-K755 PolarHBondContact O-N 3.46Å; K755-L758 PolarHBondContact O-N 3.43Å; K755-N759 VanDerWaalsContact O-CG 3.28Å; K755-N759 PolarHBondContact O-N 2.91Å; K755-N759 PolarHBondContact O-OD1 2.73Å
756R89.2Confident85.9Confident132 Ų13266.6 Ų66.650%0.49832%0.321SS..Hα-helixtrans-60.3-48.3177.4-179.8172.865.684-4.5112.3S752 T753 V754 L758 N759 E760S752-R756 WeakPolarHBondContact O-CB 3.16Å; S752-R756 PolarHBondContact O-N 3.11Å; T753-R756 PolarHBondContact O-N 2.84Å; V754-R756 VanDerWaalsContact C-N 3.31Å; V754-R756 PolarHBondContact O-N 3.31Å; R756-L758 VanDerWaalsContact C-N 3.34Å; R756-L758 PolarHBondContact O-N 3.47Å; R756-N759 PolarHBondContact O-N 3.23Å; R756-E760 HydrophobicContact CG-CG 4.5Å; R756-E760 WeakPolarHBondContact CG-OE1 3.49Å; R756-E760 IonicContact CZ-OE1 3.43Å; R756-E760 IonicContact NH1-OE1 3Å; R756-E760 PolarHBondContact NH1-OE1 3.44Å; R756-E760 WeakPolarHBondContact O-CG 3.23Å; R756-E760 PolarHBondContact O-N 2.89Å
757V88.1Confident86Confident1 Ų162.6 Ų62.61%0.00631%0.31CS..Hα-helixtrans-65.1-37.4-179.6171.90000111.7L670 L673 Q674 L677 T753 V754 L761L670-V757 HydrophobicContact CD1-CG2 4.19Å; L673-V757 HydrophobicContact CB-CG1 3.75Å; Q674-V757 HydrophobicContact CG-CG1 4.32Å; Q674-V757 HydrophobicContact CG-CG2 3.65Å; L677-V757 HydrophobicContact CD2-CG1 4.23Å; T753-V757 HydrophobicContact CG2-CG2 4.44Å; T753-V757 VanDerWaalsContact O-CG2 3.28Å; T753-V757 WeakPolarHBondContact O-CG2 3.49Å; T753-V757 PolarHBondContact O-N 2.89Å; V754-V757 PolarHBondContact O-N 3.38Å; V757-L761 HydrophobicContact CG1-CD1 4.06Å; V757-L761 WeakPolarHBondContact O-CB 3.36Å; V757-L761 VanDerWaalsContact O-CG 3.28Å; V757-L761 WeakPolarHBondContact O-CG 3.09Å; V757-L761 PolarHBondContact O-N 2.91Å
758L88.9Confident86.3Confident39 Ų3958.2 Ų58.220%0.20429%0.293CS..Hα-helixtrans-67.6-39175-66.6174.9000112.4L673 L736 A739 V754 K755 R756 L761 N762L673-L758 HydrophobicContact CD1-CD2 4.27Å; L736-L758 HydrophobicContact CD2-CD2 4.01Å; A739-L758 HydrophobicContact CB-CD2 3.55Å; V754-L758 HydrophobicContact CG1-CD1 3.71Å; V754-L758 HydrophobicContact CG1-CG 4.25Å; V754-L758 WeakPolarHBondContact O-CG 3.48Å; V754-L758 PolarHBondContact O-N 3.11Å; K755-L758 PolarHBondContact O-N 3.43Å; R756-L758 VanDerWaalsContact C-N 3.34Å; R756-L758 PolarHBondContact O-N 3.47Å; L758-L761 PolarHBondContact O-N 3.39Å; L758-N762 WeakPolarHBondContact O-CB 3.01Å; L758-N762 PolarHBondContact O-N 2.78Å
759N88.4Confident86.3Confident102 Ų10260.5 Ų60.555%0.54531%0.305SS..Hα-helixtrans-63.8-48.8173.5-7110.1000111.5K755 R756 L761 N762 E763K755-N759 VanDerWaalsContact O-CG 3.28Å; K755-N759 PolarHBondContact O-N 2.91Å; K755-N759 PolarHBondContact O-OD1 2.73Å; R756-N759 PolarHBondContact O-N 3.23Å; N759-L761 VanDerWaalsContact C-N 3.26Å; N759-L761 PolarHBondContact O-N 3.41Å; N759-N762 PolarHBondContact O-N 2.77Å; N759-N762 VanDerWaalsContact O-N 3.09Å; N759-E763 WeakPolarHBondContact O-CG 3.24Å; N759-E763 PolarHBondContact O-N 2.69Å
760E89.7Confident86.3Confident55 Ų5560.7 Ų60.726%0.25731%0.311SS..Hα-helixtrans-61.1-33.4177.5-71.2-178.9-130.100112.1L677 R756 S764L677-E760 HydrophobicContact CD1-CB 3.96Å; L677-E760 HydrophobicContact CD2-CB 3.58Å; L677-E760 HydrophobicContact CD2-CG 4.44Å; L677-E760 HydrophobicContact CG-CB 4.41Å; R756-E760 HydrophobicContact CG-CG 4.5Å; R756-E760 WeakPolarHBondContact CG-OE1 3.49Å; R756-E760 IonicContact CZ-OE1 3.43Å; R756-E760 IonicContact NH1-OE1 3Å; R756-E760 PolarHBondContact NH1-OE1 3.44Å; R756-E760 WeakPolarHBondContact O-CG 3.23Å; R756-E760 PolarHBondContact O-N 2.89Å; E760-S764 WeakPolarHBondContact O-CB 3.35Å; E760-S764 PolarHBondContact O-N 2.85Å; E760-S764 PolarHBondContact O-OG 3.41Å
761L89.6Confident86.6Confident0 Ų062.5 Ų62.50%031%0.309CS..Hα-helixtrans-69.2-43.3171.1-78.1167.8000112.4L673 V676 L677 I732 L736 V757 L758 N759 S764 F765L673-L761 HydrophobicContact CB-CD1 4.48Å; V676-L761 HydrophobicContact CG1-CD2 4.24Å; L677-L761 HydrophobicContact CB-CD2 3.9Å; L677-L761 HydrophobicContact CB-CG 4.21Å; L677-L761 HydrophobicContact CD1-CD2 4.07Å; L677-L761 HydrophobicContact CD1-CG 4.22Å; I732-L761 HydrophobicContact CG1-CD2 4.49Å; I732-L761 HydrophobicContact CG2-CB 4.34Å; I732-L761 HydrophobicContact CG2-CD2 4.39Å; I732-L761 WeakPolarHBondContact CG2-O 3.42Å; L736-L761 HydrophobicContact CD2-CB 4.27Å; V757-L761 HydrophobicContact CG1-CD1 4.06Å; V757-L761 WeakPolarHBondContact O-CB 3.36Å; V757-L761 VanDerWaalsContact O-CG 3.28Å; V757-L761 WeakPolarHBondContact O-CG 3.09Å; V757-L761 PolarHBondContact O-N 2.91Å; L758-L761 PolarHBondContact O-N 3.39Å; N759-L761 VanDerWaalsContact C-N 3.26Å; N759-L761 PolarHBondContact O-N 3.41Å; L761-S764 CarbonylContact O-C 3.08Å; L761-S764 WeakPolarHBondContact O-CB 3.26Å; L761-S764 PolarHBondContact O-N 2.85Å; L761-F765 PolarHBondContact O-N 2.93Å
762N87.9Confident86.8Confident69 Ų6961.8 Ų61.837%0.36930%0.304SS..Hα-helixtrans-70-40.2-179.3-167.954000112.6L758 N759 S764 F765 H766L758-N762 WeakPolarHBondContact O-CB 3.01Å; L758-N762 PolarHBondContact O-N 2.78Å; N759-N762 PolarHBondContact O-N 2.77Å; N759-N762 VanDerWaalsContact O-N 3.09Å; N762-S764 VanDerWaalsContact C-N 3.29Å; N762-S764 PolarHBondContact O-N 3.04Å; N762-F765 VanDerWaalsContact O-CB 3.31Å; N762-F765 WeakPolarHBondContact O-CB 3.4Å; N762-F765 PolarHBondContact O-N 3.08Å; N762-F765 VanDerWaalsContact O-N 3.11Å; N762-H766 PolarHBondContact ND2-NE2 3.29Å; N762-H766 VanDerWaalsContact ND2-NE2 3.19Å; N762-H766 PolarHBondContact O-CD2 2.82Å; N762-H766 PolarHBondContact O-N 3.44Å
763E87.9Confident87Confident129 Ų12959.9 Ų59.960%0.60329%0.285SS*.Hα-helixtrans-56.5-45.5168.7-73.6178.6-16000111N759 F765 H766 V767N759-E763 WeakPolarHBondContact O-CG 3.24Å; N759-E763 PolarHBondContact O-N 2.69Å; E763-F765 VanDerWaalsContact C-N 3.29Å; E763-F765 PolarHBondContact O-N 2.73Å; E763-H766 PolarHBondContact O-N 2.95Å; E763-V767 WeakPolarHBondContact O-CG2 3.41Å; E763-V767 PolarHBondContact O-N 3.1Å
764S87.4Confident86.9Confident21 Ų2162 Ų6215%0.14729%0.293CS..Hα-helixtrans-62.4-34.8175.8-60.70000112.5E760 L761 N762 C768E760-S764 WeakPolarHBondContact O-CB 3.35Å; E760-S764 PolarHBondContact O-N 2.85Å; E760-S764 PolarHBondContact O-OG 3.41Å; L761-S764 CarbonylContact O-C 3.08Å; L761-S764 WeakPolarHBondContact O-CB 3.26Å; L761-S764 PolarHBondContact O-N 2.85Å; N762-S764 VanDerWaalsContact C-N 3.29Å; N762-S764 PolarHBondContact O-N 3.04Å; S764-C768 WeakPolarHBondContact O-CB 3.25Å; S764-C768 PolarHBondContact O-N 3.27Å; S764-C768 PolarHBondContact O-SG 3.4Å
765F90.3Very high86.6Confident51 Ų5162.4 Ų62.422%0.22430%0.295CS..Hα-helixtrans-62.2-53.9175.2-172.3-102.3000110.3L729 I732 L761 N762 E763 V767 C768 L769L729-F765 HydrophobicContact CD2-CD2 3.6Å; L729-F765 HydrophobicContact CD2-CE2 3.67Å; L729-F765 HydrophobicContact CD2-CG 4.18Å; L729-F765 HydrophobicContact CD2-CZ 4.3Å; L729-F765 WeakPolarHBondContact CD2-O 3.31Å; I732-F765 HydrophobicContact CB-CD2 4.2Å; I732-F765 HydrophobicContact CD1-CB 4.41Å; I732-F765 HydrophobicContact CG2-CB 3.89Å; I732-F765 HydrophobicContact CG2-CD2 3.98Å; I732-F765 HydrophobicContact CG2-CG 4.39Å; L761-F765 PolarHBondContact O-N 2.93Å; N762-F765 VanDerWaalsContact O-CB 3.31Å; N762-F765 WeakPolarHBondContact O-CB 3.4Å; N762-F765 PolarHBondContact O-N 3.08Å; N762-F765 VanDerWaalsContact O-N 3.11Å; E763-F765 VanDerWaalsContact C-N 3.29Å; E763-F765 PolarHBondContact O-N 2.73Å; F765-V767 VanDerWaalsContact C-N 3.34Å; F765-V767 PolarHBondContact O-N 3.39Å; F765-C768 PolarHBondContact O-N 3.44Å; F765-L769 HydrophobicContact CD1-CD2 4.4Å; F765-L769 HydrophobicContact CE1-CD2 3.88Å; F765-L769 WeakPolarHBondContact O-CB 3.49Å; F765-L769 PolarHBondContact O-N 3.13Å
766H88.3Confident86Confident99 Ų9961.2 Ų61.246%0.45829%0.294SS..Hα-helixtrans-60.1-40.8178.7-66.4-61.4000112.5N762 E763 L769 M770N762-H766 PolarHBondContact ND2-NE2 3.29Å; N762-H766 VanDerWaalsContact ND2-NE2 3.19Å; N762-H766 PolarHBondContact O-CD2 2.82Å; N762-H766 PolarHBondContact O-N 3.44Å; E763-H766 PolarHBondContact O-N 2.95Å; H766-L769 PolarHBondContact O-N 3.17Å; H766-M770 WeakPolarHBondContact O-CB 3.14Å; H766-M770 WeakPolarHBondContact O-CG 3.35Å; H766-M770 PolarHBondContact O-N 3.5Å
767V86.4Confident85.2Confident74 Ų7460.2 Ų60.245%0.44830%0.303SS..Hα-helixtrans-63.6-46.4176.31710000111.7E763 F765 L769 R771E763-V767 WeakPolarHBondContact O-CG2 3.41Å; E763-V767 PolarHBondContact O-N 3.1Å; F765-V767 VanDerWaalsContact C-N 3.34Å; F765-V767 PolarHBondContact O-N 3.39Å; V767-L769 VanDerWaalsContact C-N 3.32Å; V767-L769 PolarHBondContact O-N 3.22Å; V767-R771 WeakPolarHBondContact O-CB 3.35Å; V767-R771 WeakPolarHBondContact O-CG 3.36Å; V767-R771 PolarHBondContact O-N 3.31Å
768C88.6Confident84.1Confident0 Ų066.8 Ų66.80%033%0.328CS..Hα-helixtrans-68.4-32.9178.1-630000112.1Y725 L729 S764 F765 S772Y725-C768 HydrophobicContact CD1-CB 3.95Å; L729-C768 HydrophobicContact CD2-CB 3.77Å; L729-C768 HydrophobicContact CG-CB 3.76Å; S764-C768 WeakPolarHBondContact O-CB 3.25Å; S764-C768 PolarHBondContact O-N 3.27Å; S764-C768 PolarHBondContact O-SG 3.4Å; F765-C768 PolarHBondContact O-N 3.44Å; C768-S772 VanDerWaalsContact O-CB 3.29Å; C768-S772 WeakPolarHBondContact O-CB 3.08Å; C768-S772 PolarHBondContact O-N 3Å; C768-S772 PolarHBondContact O-OG 2.86Å
769L88.3Confident82.3Confident51 Ų5166.6 Ų66.627%0.26734%0.335SS..Hα-helixtrans-71.3-42.1178.9-176.659.2000111.6L729 F765 H766 V767 S772 Q773L729-L769 HydrophobicContact CD1-CD1 4.43Å; L729-L769 HydrophobicContact CD2-CB 3.97Å; F765-L769 HydrophobicContact CD1-CD2 4.4Å; F765-L769 HydrophobicContact CE1-CD2 3.88Å; F765-L769 WeakPolarHBondContact O-CB 3.49Å; F765-L769 PolarHBondContact O-N 3.13Å; H766-L769 PolarHBondContact O-N 3.17Å; V767-L769 VanDerWaalsContact C-N 3.32Å; V767-L769 PolarHBondContact O-N 3.22Å; L769-S772 WeakPolarHBondContact CA-OG 3.29Å; L769-S772 PolarHBondContact O-OG 2.61Å; L769-S772 VanDerWaalsContact O-OG 3.05Å; L769-Q773 VanDerWaalsContact CD1-NE2 3.25Å; L769-Q773 VanDerWaalsContact CG-NE2 3.33Å; L769-Q773 WeakPolarHBondContact O-CB 3.07Å; L769-Q773 WeakPolarHBondContact O-CG 3.49Å; L769-Q773 PolarHBondContact O-N 3.35Å; L769-Q773 VanDerWaalsContact O-N 3.14Å
770M83.2Confident80.9Confident110 Ų11066 Ų6654%0.54233%0.332SS..Hα-helixtrans-66-47.5173.8-72.1-60.3-62.300111.4H766 S772 Q773 E774H766-M770 WeakPolarHBondContact O-CB 3.14Å; H766-M770 WeakPolarHBondContact O-CG 3.35Å; H766-M770 PolarHBondContact O-N 3.5Å; M770-S772 PolarHBondContact O-N 3.09Å; M770-Q773 PolarHBondContact O-N 3.05Å; M770-E774 WeakPolarHBondContact O-CG 3.25Å; M770-E774 PolarHBondContact O-N 3.17Å
771R87Confident79.1Confident121 Ų12165.5 Ų65.546%0.45733%0.334SS..Hα-helixtrans-66.5-36.9-179.7-68.3-55.2-168.3-178.9-0.7113.4Y725 V767 E774 L775Y725-R771 HydrophobicContact CD1-CB 4.25Å; Y725-R771 HydrophobicContact CD2-CB 3.93Å; Y725-R771 HydrophobicContact CE1-CB 3.96Å; Y725-R771 HydrophobicContact CE1-CG 4.29Å; Y725-R771 HydrophobicContact CE2-CB 3.6Å; Y725-R771 HydrophobicContact CE2-CG 4.29Å; Y725-R771 HydrophobicContact CG-CB 4.25Å; V767-R771 WeakPolarHBondContact O-CB 3.35Å; V767-R771 WeakPolarHBondContact O-CG 3.36Å; V767-R771 PolarHBondContact O-N 3.31Å; R771-E774 WeakPolarHBondContact CD-OE2 3.44Å; R771-E774 IonicContact CZ-OE2 2.68Å; R771-E774 IonicContact NE-OE2 3.08Å; R771-E774 IonicContact NH1-OE1 3.17Å; R771-E774 IonicContact NH1-OE2 3.73Å; R771-E774 PolarHBondContact NH1-OE2 3.42Å; R771-L775 WeakPolarHBondContact O-CB 3.47Å; R771-L775 WeakPolarHBondContact O-CD1 3.32Å; R771-L775 WeakPolarHBondContact O-CG 3.42Å; R771-L775 PolarHBondContact O-N 3.09Å
772S84.1Confident77.3Confident6 Ų668.1 Ų68.14%0.04236%0.361CS..Hα-helixtrans-65.5-39.8173.151.60000112.1L722 C768 L769 M770 L775 I776L722-S772 VanDerWaalsContact CD1-CB 3.47Å; L722-S772 WeakPolarHBondContact CD1-O 3.12Å; C768-S772 VanDerWaalsContact O-CB 3.29Å; C768-S772 WeakPolarHBondContact O-CB 3.08Å; C768-S772 PolarHBondContact O-N 3Å; C768-S772 PolarHBondContact O-OG 2.86Å; L769-S772 WeakPolarHBondContact CA-OG 3.29Å; L769-S772 PolarHBondContact O-OG 2.61Å; L769-S772 VanDerWaalsContact O-OG 3.05Å; M770-S772 PolarHBondContact O-N 3.09Å; S772-L775 PolarHBondContact O-N 2.91Å; S772-I776 WeakPolarHBondContact O-CD1 3.18Å; S772-I776 VanDerWaalsContact O-CG1 3.27Å; S772-I776 WeakPolarHBondContact O-CG1 3.35Å; S772-I776 PolarHBondContact O-N 3.43Å
773Q82.5Confident75.2Confident57 Ų5769.5 Ų69.527%0.26637%0.373SS..Hα-helixtrans-65.3-44.4175.3-71.8177.349.400112.6L769 M770 L775 I776 T777L769-Q773 VanDerWaalsContact CD1-NE2 3.25Å; L769-Q773 VanDerWaalsContact CG-NE2 3.33Å; L769-Q773 WeakPolarHBondContact O-CB 3.07Å; L769-Q773 WeakPolarHBondContact O-CG 3.49Å; L769-Q773 PolarHBondContact O-N 3.35Å; L769-Q773 VanDerWaalsContact O-N 3.14Å; M770-Q773 PolarHBondContact O-N 3.05Å; Q773-L775 PolarHBondContact O-N 2.83Å; Q773-I776 PolarHBondContact O-N 3.46Å; Q773-T777 PolarHBondContact O-N 2.94Å
774E78.1Confident72.9Confident60 Ų6066.1 Ų66.128%0.2836%0.359SS..Hα-helixtrans-55.4-49.6171.6-72.1171.1-168.100111.4M770 R771 I776 T777 Y778M770-E774 WeakPolarHBondContact O-CG 3.25Å; M770-E774 PolarHBondContact O-N 3.17Å; R771-E774 WeakPolarHBondContact CD-OE2 3.44Å; R771-E774 IonicContact CZ-OE2 2.68Å; R771-E774 IonicContact NE-OE2 3.08Å; R771-E774 IonicContact NH1-OE1 3.17Å; R771-E774 IonicContact NH1-OE2 3.73Å; R771-E774 PolarHBondContact NH1-OE2 3.42Å; E774-I776 VanDerWaalsContact C-N 3.31Å; E774-I776 PolarHBondContact O-N 2.89Å; E774-T777 PolarHBondContact O-N 3.26Å; E774-T777 PolarHBondContact O-OG1 2.83Å; E774-Y778 HydrophobicContact CB-CE2 4.27Å; E774-Y778 VanDerWaalsContact O-CD2 3.23Å; E774-Y778 WeakPolarHBondContact O-CD2 3.46Å; E774-Y778 PolarHBondContact O-N 3.48Å
775L79.9Confident70.4Confident9 Ų966.3 Ų66.35%0.04736%0.357CS..Hα-helixtrans-64.4-32-177.7-71.6165.8000113.7H718 Q721 L722 Y725 R771 S772 Q773 T777 Y778H718-L775 HydrophobicContact CB-CD2 3.89Å; Q721-L775 HydrophobicContact CB-CD1 3.54Å; Q721-L775 HydrophobicContact CB-CD2 4.24Å; L722-L775 HydrophobicContact CB-CB 4.32Å; L722-L775 HydrophobicContact CB-CD1 4.5Å; L722-L775 HydrophobicContact CD1-CB 4.43Å; Y725-L775 HydrophobicContact CD2-CD1 3.57Å; Y725-L775 HydrophobicContact CE2-CD1 3.81Å; R771-L775 WeakPolarHBondContact O-CB 3.47Å; R771-L775 WeakPolarHBondContact O-CD1 3.32Å; R771-L775 WeakPolarHBondContact O-CG 3.42Å; R771-L775 PolarHBondContact O-N 3.09Å; S772-L775 PolarHBondContact O-N 2.91Å; Q773-L775 PolarHBondContact O-N 2.83Å; L775-T777 VanDerWaalsContact C-N 3.33Å; L775-Y778 PolarHBondContact O-N 3.28Å
776I73.4Confident67.8Low99 Ų9970.8 Ų70.851%0.50839%0.389SS..Hα-helixtrans-65-36.9172-70.3162.7000111L722 S772 Q773 E774 Y778 G779L722-I776 HydrophobicContact CD1-CD1 4.2Å; L722-I776 HydrophobicContact CD1-CG1 3.98Å; L722-I776 HydrophobicContact CD2-CD1 4.45Å; L722-I776 HydrophobicContact CD2-CG1 3.73Å; S772-I776 WeakPolarHBondContact O-CD1 3.18Å; S772-I776 VanDerWaalsContact O-CG1 3.27Å; S772-I776 WeakPolarHBondContact O-CG1 3.35Å; S772-I776 PolarHBondContact O-N 3.43Å; Q773-I776 PolarHBondContact O-N 3.46Å; E774-I776 VanDerWaalsContact C-N 3.31Å; E774-I776 PolarHBondContact O-N 2.89Å; I776-Y778 VanDerWaalsContact C-N 3.33Å; I776-Y778 PolarHBondContact O-N 2.89Å; I776-G779 PolarHBondContact O-N 3.18Å
777T71.8Confident65.5Low112 Ų11269.4 Ų69.469%0.68739%0.39SS*.Hα-helixtrans-70.8-22.1179.562.90000114.5Q773 E774 L775 G779Q773-T777 PolarHBondContact O-N 2.94Å; E774-T777 PolarHBondContact O-N 3.26Å; E774-T777 PolarHBondContact O-OG1 2.83Å; L775-T777 VanDerWaalsContact C-N 3.33Å; T777-G779 VanDerWaalsContact C-N 3.26Å; T777-G779 PolarHBondContact O-N 3.34Å
778Y65.3Low64Low139 Ų13971 Ų7155%0.54540%0.4SS..THydrogen-bonded Turntrans-82.14.1177.8-62.4-57.6000114.8H718 E774 L775 I776H718-Y778 AromaticContact CE1-CG 3.92Å; H718-Y778 VanDerWaalsContact ND1-CB 3.32Å; H718-Y778 WeakPolarHBondContact ND1-CB 3.38Å; E774-Y778 HydrophobicContact CB-CE2 4.27Å; E774-Y778 VanDerWaalsContact O-CD2 3.23Å; E774-Y778 WeakPolarHBondContact O-CD2 3.46Å; E774-Y778 PolarHBondContact O-N 3.48Å; L775-Y778 PolarHBondContact O-N 3.28Å; I776-Y778 VanDerWaalsContact C-N 3.33Å; I776-Y778 PolarHBondContact O-N 2.89Å
779G51.3Low63Low34 Ų3473.2 Ų73.235%0.35141%0.411SS..  trans78.7121.3179.800000113.2I776 T777I776-G779 PolarHBondContact O-N 3.18Å; T777-G779 VanDerWaalsContact C-N 3.26Å; T777-G779 PolarHBondContact O-N 3.34Å
780L57.6Low62.4Low90 Ų9074.1 Ų74.147%0.47142%0.416SS..PPolyproline II helixtrans-77.3149.8169.2-69172.7000110.2A719 L722A719-L780 HydrophobicContact CB-CD2 3.75Å; L722-L780 HydrophobicContact CD2-CD1 3.84Å; L722-L780 HydrophobicContact CD2-CD2 3.74Å; L722-L780 HydrophobicContact CD2-CG 4.27Å
781P52.2Low62.4Low45 Ų4569.2 Ų69.229%0.29239%0.393SS..PPolyproline II helixtrans-62.1141175.528.8-33.7000109.2S715 Y716 A719S715-P781 WeakPolarHBondContact O-CD 3.35Å; Y716-P781 HydrophobicContact CD2-CG 4.41Å; A719-P781 HydrophobicContact CB-CG 3.99Å
782G51.7Low62.3Low55 Ų5566.2 Ų66.257%0.56738%0.384SS*.PPolyproline II helixtrans-55.7148.1165.900000109.9D784G782-D784 PolarHBondContact O-N 3.07Å
783P45Very low62.2Low97 Ų9772.6 Ų72.663%0.6341%0.407SS*.  trans-60.2-3.7-168.411.2-23.6000117.7K785 D1817P783-K785 PolarHBondContact O-N 3.37Å; P783-D1817 HydrophobicContact CB-CB 4.2Å; P783-D1817 HydrophobicContact CG-CB 3.93Å; P783-D1817 WeakPolarHBondContact CG-O 3.47Å
784D38.9Very low62.3Low58 Ų5870.2 Ų70.231%0.3140%0.397SS..  trans-41.197.9-173.9-98.8-89.3000115.1G782 I1785 D1817G782-D784 PolarHBondContact O-N 3.07Å; D784-I1785 HydrophobicContact CB-CD1 3.89Å; D784-I1785 HydrophobicContact CB-CG1 4.3Å; D784-I1785 PolarHBondContact OD1-N 2.94Å; D784-D1817 WeakPolarHBondContact CA-OD1 3.25Å; D784-D1817 PolarHBondContact N-OD1 3Å
785K34.8Very low62.9Low25 Ų2567.4 Ų67.411%0.10938%0.384CS..SBendtrans25.197.4148.423.1174.9163.7166.50116.3P783 R1782 N1783 G1784 I1785 D1817P783-K785 PolarHBondContact O-N 3.37Å; K785-R1782 HydrophobicContact CD-CG 4.12Å; K785-R1782 PolarHBondContact NZ-O 2.87Å; K785-N1783 WeakPolarHBondContact CE-O 3.4Å; K785-N1783 VanDerWaalsContact NZ-C 3.33Å; K785-N1783 PolarHBondContact NZ-O 3.06Å; K785-G1784 PolarHBondContact NZ-O 3.31Å; K785-I1785 PolarHBondContact NZ-O 2.93Å; K785-D1817 PolarHBondContact N-OD1 2.85Å
786T36.1Very low63.3Low146 Ų14670.3 Ų70.390%0.89639%0.394SS*.SBend177.5-15.3106.231.10000113.4
787C40.3Very low63.8Low69 Ų6968.3 Ų68.347%0.46639%0.385SS..  trans-126.9125.8-172.6-172.70000111Y716Y716-C787 WeakPolarHBondContact OH-CB 3.29Å; Y716-C787 PolarHBondContact OH-O 3.28Å; Y716-C787 VanDerWaalsContact OH-O 3.06Å; Y716-C787 PolarHBondContact OH-SG 3.17Å
788T54.2Low64.6Low108 Ų10863.6 Ų63.666%0.66335%0.354SS*.  trans-90.2114.9176.242.30000110N790T788-N790 PolarHBondContact O-N 3.42Å; T788-N790 VanDerWaalsContact O-N 3.12Å
789I66.4Low65.8Low47 Ų4757 Ų5724%0.24133%0.328CS..  trans-7797.2177.5-53.7178.8000108.9Y716 A719 E720 V723 L794Y716-I789 HydrophobicContact CD1-CD1 4.21Å; Y716-I789 HydrophobicContact CE1-CD1 3.69Å; Y716-I789 HydrophobicContact CE1-CG1 3.8Å; Y716-I789 HydrophobicContact CE2-CD1 4.13Å; Y716-I789 HydrophobicContact CE2-CG1 4.41Å; Y716-I789 WeakPolarHBondContact OH-CG1 3.31Å; A719-I789 HydrophobicContact CB-CD1 3.44Å; A719-I789 VanDerWaalsContact CB-CD1 3.44Å; E720-I789 HydrophobicContact CG-CD1 4.45Å; E720-I789 HydrophobicContact CG-CG2 4.22Å; V723-I789 HydrophobicContact CB-CG2 3.87Å; V723-I789 HydrophobicContact CG1-CG2 4.08Å; V723-I789 HydrophobicContact CG2-CB 4.42Å; V723-I789 HydrophobicContact CG2-CG2 3.8Å; I789-L794 HydrophobicContact CG2-CD1 4.06Å
790N75.9Confident67.4Low69 Ų6957.3 Ų57.337%0.36932%0.322SS..  trans-107.9128.9169.7-178.3-4.7000109.9T788 E792 R793 L794T788-N790 PolarHBondContact O-N 3.42Å; T788-N790 VanDerWaalsContact O-N 3.12Å; N790-E792 PolarHBondContact ND2-OE2 2.99Å; N790-E792 PolarHBondContact O-N 3.14Å; N790-E792 PolarHBondContact OD1-N 3.31Å; N790-E792 PolarHBondContact OD1-OE2 3.38Å; N790-R793 HydrophobicContact CB-CB 4.32Å; N790-R793 WeakPolarHBondContact O-CB 3.39Å; N790-R793 PolarHBondContact O-N 3.15Å; N790-R793 VanDerWaalsContact O-N 3.13Å; N790-L794 PolarHBondContact O-N 3.11Å; N790-L794 VanDerWaalsContact O-N 3.13Å
791A83.1Confident68.5Low7 Ų754.8 Ų54.86%0.05831%0.308CS..Hα-helixtrans-50.7-38.8172.500000112.6V723 R727 L794 M795V723-A791 HydrophobicContact CG1-CB 3.73Å; V723-A791 VanDerWaalsContact CG1-N 3.28Å; R727-A791 HydrophobicContact CB-CB 3.78Å; R727-A791 HydrophobicContact CG-CB 4.03Å; A791-L794 PolarHBondContact O-N 3.03Å; A791-M795 WeakPolarHBondContact O-CB 3.45Å; A791-M795 WeakPolarHBondContact O-CG 3.5Å; A791-M795 PolarHBondContact O-N 3.38Å
792E86.2Confident70.2Confident58 Ų5853 Ų5327%0.27130%0.296SS..Hα-helixtrans-67.7-37.9-178.4-65.1152.5171.100111.9R727 N790 L794 M795 Y796 L832R727-E792 IonicContact CZ-OE1 2.69Å; R727-E792 IonicContact NH1-OE1 2.66Å; R727-E792 IonicContact NH2-OE1 3.05Å; R727-E792 PolarHBondContact NH2-OE1 3.2Å; N790-E792 PolarHBondContact ND2-OE2 2.99Å; N790-E792 PolarHBondContact O-N 3.14Å; N790-E792 PolarHBondContact OD1-N 3.31Å; N790-E792 PolarHBondContact OD1-OE2 3.38Å; E792-L794 VanDerWaalsContact C-N 3.35Å; E792-M795 HydrophobicContact CB-CE 4.28Å; E792-M795 HydrophobicContact CG-CE 3.79Å; E792-M795 PolarHBondContact O-N 2.99Å; E792-Y796 WeakPolarHBondContact O-CB 3.41Å; E792-Y796 PolarHBondContact O-N 3.04Å; E792-L832 HydrophobicContact CB-CD2 3.78Å; E792-L832 HydrophobicContact CG-CD2 4.1Å
793R82.1Confident71.8Confident140 Ų14051.6 Ų51.653%0.52828%0.277SS..Hα-helixtrans-67.3-36.7173.3-170.5176.6-1751743111.7N790 N797N790-R793 HydrophobicContact CB-CB 4.32Å; N790-R793 WeakPolarHBondContact O-CB 3.39Å; N790-R793 PolarHBondContact O-N 3.15Å; N790-R793 VanDerWaalsContact O-N 3.13Å; R793-N797 WeakPolarHBondContact O-CB 3.48Å; R793-N797 PolarHBondContact O-N 3.15Å; R793-N797 PolarHBondContact O-ND2 2.9Å
794L84.5Confident73.4Confident8 Ų852.9 Ų52.94%0.04227%0.274CS..Hα-helixtrans-68.3-44174.4-64172.4000111.4L686 E720 I724 I789 N790 A791 E792 Y798L686-L794 HydrophobicContact CD2-CB 4.25Å; E720-L794 HydrophobicContact CB-CD1 4.01Å; E720-L794 HydrophobicContact CG-CD1 4.21Å; E720-L794 HydrophobicContact CG-CD2 4.23Å; E720-L794 WeakPolarHBondContact OE1-CD2 3.24Å; I724-L794 HydrophobicContact CD1-CD1 3.97Å; I724-L794 HydrophobicContact CG1-CB 4.46Å; I724-L794 HydrophobicContact CG1-CD1 3.88Å; I789-L794 HydrophobicContact CG2-CD1 4.06Å; N790-L794 PolarHBondContact O-N 3.11Å; N790-L794 VanDerWaalsContact O-N 3.13Å; A791-L794 PolarHBondContact O-N 3.03Å; E792-L794 VanDerWaalsContact C-N 3.35Å; L794-Y798 WeakPolarHBondContact O-CB 3.5Å; L794-Y798 PolarHBondContact O-N 2.7Å
795M89.6Confident75.2Confident1 Ų151.9 Ų51.91%0.00527%0.272CS..Hα-helixtrans-57.9-46.6173-76.1-170.1-79.500112.1L683 R727 A791 E792 Y798 A799 L828 L832L683-M795 HydrophobicContact CD2-CG 3.58Å; L683-M795 HydrophobicContact CD2-SD 3.7Å; R727-M795 HydrophobicContact CG-CE 4.35Å; A791-M795 WeakPolarHBondContact O-CB 3.45Å; A791-M795 WeakPolarHBondContact O-CG 3.5Å; A791-M795 PolarHBondContact O-N 3.38Å; E792-M795 HydrophobicContact CB-CE 4.28Å; E792-M795 HydrophobicContact CG-CE 3.79Å; E792-M795 PolarHBondContact O-N 2.99Å; M795-Y798 PolarHBondContact O-N 2.99Å; M795-A799 WeakPolarHBondContact O-CB 3.48Å; M795-A799 PolarHBondContact O-N 2.94Å; M795-L828 HydrophobicContact CG-CD2 4.21Å; M795-L828 HydrophobicContact SD-CD2 4.37Å; M795-L832 HydrophobicContact CB-CD1 4.08Å; M795-L832 HydrophobicContact CB-CD2 4.13Å; M795-L832 HydrophobicContact CB-CG 4.29Å; M795-L832 HydrophobicContact CE-CD2 3.93Å
796Y88.7Confident77.3Confident69 Ų6950.7 Ų50.727%0.27127%0.267SS..Hα-helixtrans-64.4-48.3-179.3178.9-109.6000111.9E792 Y798 A799 L800 L829 L832 L845 Y848E792-Y796 WeakPolarHBondContact O-CB 3.41Å; E792-Y796 PolarHBondContact O-N 3.04Å; Y796-Y798 VanDerWaalsContact C-N 3.31Å; Y796-Y798 PolarHBondContact O-N 3.48Å; Y796-A799 PolarHBondContact O-N 3.38Å; Y796-L800 HydrophobicContact CD1-CD1 4.16Å; Y796-L800 HydrophobicContact CE1-CD1 3.58Å; Y796-L800 HydrophobicContact CE1-CG 4.42Å; Y796-L800 HydrophobicContact CE2-CD1 4.41Å; Y796-L800 HydrophobicContact CE2-CG 4.48Å; Y796-L800 PolarHBondContact O-N 2.82Å; Y796-L829 HydrophobicContact CD2-CD2 4.39Å; Y796-L832 HydrophobicContact CD2-CD1 4.33Å; Y796-L845 HydrophobicContact CD2-CD2 3.69Å; Y796-L845 HydrophobicContact CE2-CD2 3.91Å; Y796-Y848 HydrophobicContact CE2-CD2 4.49Å
797N84.1Confident79Confident58 Ų5845.8 Ų45.831%0.3124%0.241SC..Hα-helixtrans-59-43.5175.8-72.6-24.3000111.2R793 A799 L800 E801R793-N797 WeakPolarHBondContact O-CB 3.48Å; R793-N797 PolarHBondContact O-N 3.15Å; R793-N797 PolarHBondContact O-ND2 2.9Å; N797-A799 PolarHBondContact O-N 2.92Å; N797-L800 PolarHBondContact O-N 2.9Å; N797-E801 VanDerWaalsContact O-CG 3.31Å; N797-E801 WeakPolarHBondContact O-CG 3.48Å; N797-E801 PolarHBondContact O-N 2.68Å
798Y88.6Confident80.3Confident12 Ų1246.6 Ų46.65%0.04724%0.24CC..Hα-helixtrans-66.6-37.1178.4-173.5-133.9000112.9L686 V689 L794 M795 Y796 L800 E801 L802 L828L686-Y798 HydrophobicContact CB-CD1 3.76Å; L686-Y798 HydrophobicContact CB-CE1 3.89Å; L686-Y798 HydrophobicContact CB-CG 4.3Å; L686-Y798 HydrophobicContact CD1-CD1 3.94Å; L686-Y798 HydrophobicContact CD1-CD2 3.83Å; L686-Y798 HydrophobicContact CD1-CE2 4.43Å; L686-Y798 HydrophobicContact CD1-CG 3.56Å; L686-Y798 HydrophobicContact CD2-CD1 3.98Å; L686-Y798 HydrophobicContact CD2-CG 4.11Å; L686-Y798 HydrophobicContact CG-CD1 4.08Å; L686-Y798 HydrophobicContact CG-CG 4.18Å; V689-Y798 HydrophobicContact CG2-CE2 4.47Å; L794-Y798 WeakPolarHBondContact O-CB 3.5Å; L794-Y798 PolarHBondContact O-N 2.7Å; M795-Y798 PolarHBondContact O-N 2.99Å; Y796-Y798 VanDerWaalsContact C-N 3.31Å; Y796-Y798 PolarHBondContact O-N 3.48Å; Y798-L800 VanDerWaalsContact C-N 3.3Å; Y798-L800 PolarHBondContact O-N 3.38Å; Y798-E801 PolarHBondContact O-N 2.76Å; Y798-L802 HydrophobicContact CD1-CD1 3.83Å; Y798-L802 HydrophobicContact CD2-CD1 4.35Å; Y798-L802 HydrophobicContact CD2-CG 4.2Å; Y798-L802 HydrophobicContact CE1-CD1 3.66Å; Y798-L802 HydrophobicContact CE1-CG 4.35Å; Y798-L802 HydrophobicContact CE2-CD1 4.2Å; Y798-L802 HydrophobicContact CE2-CD2 4.25Å; Y798-L802 HydrophobicContact CE2-CG 3.98Å; Y798-L802 HydrophobicContact CG-CD1 4.17Å; Y798-L802 HydrophobicContact CG-CG 4.48Å; Y798-L802 VanDerWaalsContact O-CB 3.32Å; Y798-L802 WeakPolarHBondContact O-CB 3.24Å; Y798-L802 VanDerWaalsContact O-CG 3.25Å; Y798-L802 WeakPolarHBondContact O-CG 3.45Å; Y798-L802 PolarHBondContact O-N 2.67Å; Y798-L828 HydrophobicContact CD1-CD1 3.57Å; Y798-L828 HydrophobicContact CE1-CD1 4.18Å; Y798-L828 HydrophobicContact CG-CD1 4.46Å
799A90.1Very high81.2Confident0 Ų042.5 Ų42.50%022%0.215CC..Hα-helixtrans-62.9-37.317300000112M795 Y796 N797 C803 A825 L828 L829M795-A799 WeakPolarHBondContact O-CB 3.48Å; M795-A799 PolarHBondContact O-N 2.94Å; Y796-A799 PolarHBondContact O-N 3.38Å; N797-A799 PolarHBondContact O-N 2.92Å; A799-C803 WeakPolarHBondContact O-CB 3.49Å; A799-C803 PolarHBondContact O-N 3.4Å; A799-C803 PolarHBondContact O-SG 3.12Å; A799-A825 HydrophobicContact CB-CB 4.41Å; A799-L828 HydrophobicContact CB-CB 4.06Å; A799-L828 HydrophobicContact CB-CD1 4.44Å; A799-L829 HydrophobicContact CB-CD2 4.16Å; A799-L829 HydrophobicContact CB-CG 3.92Å
800L85Confident81.3Confident41 Ų4141.5 Ų41.522%0.21521%0.209CC..Hα-helixtrans-70-42.6172.6-67.7179.8000112.5Y796 N797 Y798 L802 C803 Q804Y796-L800 HydrophobicContact CD1-CD1 4.16Å; Y796-L800 HydrophobicContact CE1-CD1 3.58Å; Y796-L800 HydrophobicContact CE1-CG 4.42Å; Y796-L800 HydrophobicContact CE2-CD1 4.41Å; Y796-L800 HydrophobicContact CE2-CG 4.48Å; Y796-L800 PolarHBondContact O-N 2.82Å; N797-L800 PolarHBondContact O-N 2.9Å; Y798-L800 VanDerWaalsContact C-N 3.3Å; Y798-L800 PolarHBondContact O-N 3.38Å; L800-L802 VanDerWaalsContact C-N 3.3Å; L800-L802 PolarHBondContact O-N 2.98Å; L800-C803 PolarHBondContact O-N 2.92Å; L800-Q804 WeakPolarHBondContact O-CB 3.26Å; L800-Q804 VanDerWaalsContact O-CG 3.26Å; L800-Q804 WeakPolarHBondContact O-CG 3.4Å; L800-Q804 PolarHBondContact O-N 3.38Å
801E82Confident80.3Confident38 Ų3841.5 Ų41.518%0.17821%0.209CC..Hα-helixtrans-59-41.1173.8-72.6166-162.200110.9R690 N797 Y798 S805R690-E801 IonicContact NH2-OE1 3.27Å; R690-E801 PolarHBondContact NH2-OE1 2.95Å; R690-E801 VanDerWaalsContact NH2-OE1 3.13Å; N797-E801 VanDerWaalsContact O-CG 3.31Å; N797-E801 WeakPolarHBondContact O-CG 3.48Å; N797-E801 PolarHBondContact O-N 2.68Å; Y798-E801 PolarHBondContact O-N 2.76Å; E801-S805 VanDerWaalsContact O-CB 3.27Å; E801-S805 WeakPolarHBondContact O-CB 3.48Å; E801-S805 PolarHBondContact O-N 2.69Å; E801-S805 PolarHBondContact O-OG 2.9Å
802L86.3Confident78.9Confident8 Ų848.9 Ų48.94%0.04224%0.24CC..Hα-helixtrans-67.4-43.4174.9-75.9166.4000112.5Y798 L800 S805 A806 R821 T824 A825 L828Y798-L802 HydrophobicContact CD1-CD1 3.83Å; Y798-L802 HydrophobicContact CD2-CD1 4.35Å; Y798-L802 HydrophobicContact CD2-CG 4.2Å; Y798-L802 HydrophobicContact CE1-CD1 3.66Å; Y798-L802 HydrophobicContact CE1-CG 4.35Å; Y798-L802 HydrophobicContact CE2-CD1 4.2Å; Y798-L802 HydrophobicContact CE2-CD2 4.25Å; Y798-L802 HydrophobicContact CE2-CG 3.98Å; Y798-L802 HydrophobicContact CG-CD1 4.17Å; Y798-L802 HydrophobicContact CG-CG 4.48Å; Y798-L802 VanDerWaalsContact O-CB 3.32Å; Y798-L802 WeakPolarHBondContact O-CB 3.24Å; Y798-L802 VanDerWaalsContact O-CG 3.25Å; Y798-L802 WeakPolarHBondContact O-CG 3.45Å; Y798-L802 PolarHBondContact O-N 2.67Å; L800-L802 VanDerWaalsContact C-N 3.3Å; L800-L802 PolarHBondContact O-N 2.98Å; L802-S805 PolarHBondContact O-N 3.19Å; L802-A806 VanDerWaalsContact O-CB 3.27Å; L802-A806 WeakPolarHBondContact O-CB 3.36Å; L802-A806 PolarHBondContact O-N 3.36Å; L802-R821 HydrophobicContact CD2-CB 4.2Å; L802-R821 HydrophobicContact CD2-CG 4.11Å; L802-T824 HydrophobicContact CD1-CG2 3.51Å; L802-A825 HydrophobicContact CB-CB 4.05Å; L802-L828 HydrophobicContact CD1-CD1 4.02Å
803C86.5Confident77.2Confident24 Ų2448.7 Ų48.716%0.16225%0.253CS..Hα-helixtrans-64.8-40.8175.5-69.90000112.1A799 L800 A806 A807 A825 V852A799-C803 WeakPolarHBondContact O-CB 3.49Å; A799-C803 PolarHBondContact O-N 3.4Å; A799-C803 PolarHBondContact O-SG 3.12Å; L800-C803 PolarHBondContact O-N 2.92Å; C803-A806 PolarHBondContact O-N 2.87Å; C803-A807 WeakPolarHBondContact O-CB 3.49Å; C803-A807 PolarHBondContact O-N 2.97Å; C803-A825 VanDerWaalsContact SG-CB 3.53Å; C803-V852 VanDerWaalsContact SG-CG2 3.52Å
804Q78.6Confident76.2Confident124 Ų12446.5 Ų46.558%0.57925%0.252SS*.Hα-helixtrans-64.7-46.4174.7-72.3172.241.400110.7L800 A806 A807 L808L800-Q804 WeakPolarHBondContact O-CB 3.26Å; L800-Q804 VanDerWaalsContact O-CG 3.26Å; L800-Q804 WeakPolarHBondContact O-CG 3.4Å; L800-Q804 PolarHBondContact O-N 3.38Å; Q804-A806 PolarHBondContact O-N 3.31Å; Q804-A807 PolarHBondContact O-N 2.87Å; Q804-L808 VanDerWaalsContact O-CG 3.26Å; Q804-L808 WeakPolarHBondContact O-CG 3.37Å; Q804-L808 PolarHBondContact O-N 2.97Å
805S75.8Confident75.2Confident37 Ų3747.3 Ų47.326%0.25926%0.258SS..Hα-helixtrans-60.5-43.8176.2-58.30000111.7E801 L802 A807 L808 D809E801-S805 VanDerWaalsContact O-CB 3.27Å; E801-S805 WeakPolarHBondContact O-CB 3.48Å; E801-S805 PolarHBondContact O-N 2.69Å; E801-S805 PolarHBondContact O-OG 2.9Å; L802-S805 PolarHBondContact O-N 3.19Å; S805-A807 VanDerWaalsContact C-N 3.35Å; S805-A807 PolarHBondContact O-N 3.27Å; S805-L808 PolarHBondContact O-N 3.09Å; S805-L808 VanDerWaalsContact O-N 3.14Å; S805-D809 VanDerWaalsContact O-CG 3.27Å; S805-D809 PolarHBondContact O-N 2.89Å
806A79.4Confident74.2Confident0 Ų054.3 Ų54.30%029%0.29CS..Hα-helixtrans-64.3-38.8177.500000112.1L802 C803 Q804 L808 E810 C818 R821 Y822L802-A806 VanDerWaalsContact O-CB 3.27Å; L802-A806 WeakPolarHBondContact O-CB 3.36Å; L802-A806 PolarHBondContact O-N 3.36Å; C803-A806 PolarHBondContact O-N 2.87Å; Q804-A806 PolarHBondContact O-N 3.31Å; A806-L808 VanDerWaalsContact C-N 3.3Å; A806-L808 PolarHBondContact O-N 3.28Å; A806-E810 VanDerWaalsContact O-CB 3.25Å; A806-E810 WeakPolarHBondContact O-CB 3.14Å; A806-E810 PolarHBondContact O-N 3.41Å; A806-C818 PolarHBondContact O-SG 2.97Å; A806-R821 HydrophobicContact CB-CB 3.79Å; A806-Y822 HydrophobicContact CB-CD1 3.82Å; A806-Y822 HydrophobicContact CB-CD2 3.67Å; A806-Y822 HydrophobicContact CB-CE1 3.68Å; A806-Y822 HydrophobicContact CB-CE2 3.52Å; A806-Y822 HydrophobicContact CB-CG 3.82Å
807A72.3Confident73.2Confident44 Ų4454.9 Ų54.936%0.36430%0.298SS..Hα-helixtrans-69.2-26.5173.800000113.1C803 Q804 S805 L811C803-A807 WeakPolarHBondContact O-CB 3.49Å; C803-A807 PolarHBondContact O-N 2.97Å; Q804-A807 PolarHBondContact O-N 2.87Å; S805-A807 VanDerWaalsContact C-N 3.35Å; S805-A807 PolarHBondContact O-N 3.27Å; A807-L811 VanDerWaalsContact O-CB 3.3Å; A807-L811 WeakPolarHBondContact O-CB 3.37Å; A807-L811 PolarHBondContact O-N 2.94Å
808L67.8Low72.8Confident85 Ų8552.1 Ų52.145%0.44528%0.283SS..Hα-helixtrans-79.9-42.6174.2-68.3170.2000112Q804 S805 A806 E810 L811 F812Q804-L808 VanDerWaalsContact O-CG 3.26Å; Q804-L808 WeakPolarHBondContact O-CG 3.37Å; Q804-L808 PolarHBondContact O-N 2.97Å; S805-L808 PolarHBondContact O-N 3.09Å; S805-L808 VanDerWaalsContact O-N 3.14Å; A806-L808 VanDerWaalsContact C-N 3.3Å; A806-L808 PolarHBondContact O-N 3.28Å; L808-E810 PolarHBondContact O-N 3.21Å; L808-L811 HydrophobicContact CD2-CD2 4.26Å; L808-L811 CarbonylContact O-C 3.57Å; L808-L811 WeakPolarHBondContact O-CB 3.28Å; L808-L811 PolarHBondContact O-N 3.46Å; L808-L811 VanDerWaalsContact O-N 3.08Å; L808-F812 HydrophobicContact CB-CD2 4.23Å; L808-F812 HydrophobicContact CB-CE2 4.26Å; L808-F812 HydrophobicContact CD2-CE2 3.96Å; L808-F812 WeakPolarHBondContact O-CB 3.35Å; L808-F812 WeakPolarHBondContact O-CD2 3.39Å; L808-F812 PolarHBondContact O-N 2.94Å
809D72.2Confident72.3Confident23 Ų2352 Ų5212%0.12328%0.283CS..Hα-helixtrans-57.6-41.1171.7-66.7-0.4000110.5S805 L811 F812 G813 D814 L817 R821S805-D809 VanDerWaalsContact O-CG 3.27Å; S805-D809 PolarHBondContact O-N 2.89Å; D809-L811 VanDerWaalsContact C-N 3.33Å; D809-L811 PolarHBondContact O-N 3.41Å; D809-F812 PolarHBondContact O-N 3.21Å; D809-G813 PolarHBondContact O-N 3.34Å; D809-D814 HydrophobicContact CB-CB 4.47Å; D809-D814 PolarHBondContact O-N 3.13Å; D809-L817 HydrophobicContact CB-CB 4.32Å; D809-L817 WeakPolarHBondContact OD2-CB 3.28Å; D809-R821 VanDerWaalsContact CG-NH2 3.26Å; D809-R821 IonicContact OD1-CZ 2.75Å; D809-R821 IonicContact OD1-NE 3.59Å; D809-R821 IonicContact OD1-NH2 3.49Å; D809-R821 PolarHBondContact OD1-NH2 2.95Å; D809-R821 IonicContact OD2-CZ 3.58Å; D809-R821 IonicContact OD2-NE 2.74Å; D809-R821 PolarHBondContact OD2-NE 3.01Å; D809-R821 IonicContact OD2-NH2 3.55Å; D809-R821 PolarHBondContact OD2-NH2 3.42Å
810E68.2Low71.8Confident26 Ų2655 Ų5512%0.12130%0.303CS..Hα-helixtrans-63.7-36.6175.1-159-178.912100112.3A806 L808 C818 Y822 R855 V895A806-E810 VanDerWaalsContact O-CB 3.25Å; A806-E810 WeakPolarHBondContact O-CB 3.14Å; A806-E810 PolarHBondContact O-N 3.41Å; L808-E810 PolarHBondContact O-N 3.21Å; E810-C818 PolarHBondContact N-SG 3.1Å; E810-Y822 PolarHBondContact OE2-OH 2.86Å; E810-R855 VanDerWaalsContact CD-CZ 3.43Å; E810-R855 VanDerWaalsContact CD-NE 3.28Å; E810-R855 IonicContact OE1-CZ 2.76Å; E810-R855 IonicContact OE1-NE 2.85Å; E810-R855 PolarHBondContact OE1-NE 2.99Å; E810-R855 VanDerWaalsContact OE1-NE 3.09Å; E810-R855 IonicContact OE1-NH1 3.93Å; E810-R855 IonicContact OE1-NH2 2.65Å; E810-R855 PolarHBondContact OE1-NH2 3.34Å; E810-R855 IonicContact OE2-CZ 3.51Å; E810-R855 VanDerWaalsContact OE2-CZ 3.25Å; E810-R855 IonicContact OE2-NE 2.67Å; E810-R855 PolarHBondContact OE2-NE 2.88Å; E810-R855 IonicContact OE2-NH2 3.13Å; E810-R855 PolarHBondContact OE2-NH2 3.34Å; E810-V895 HydrophobicContact CB-CG2 4.32Å; E810-V895 HydrophobicContact CG-CB 4.38Å; E810-V895 HydrophobicContact CG-CG1 4.24Å; E810-V895 HydrophobicContact CG-CG2 4Å; E810-V895 VanDerWaalsContact O-CG1 3.26Å; E810-V895 WeakPolarHBondContact O-CG1 3.38Å
811L54.5Low71.8Confident69 Ų6956.7 Ų56.736%0.36131%0.306SS..Hα-helixtrans-77.1-34.7179.2178.967.4000113.2A807 L808 D809 A894 V895A807-L811 VanDerWaalsContact O-CB 3.3Å; A807-L811 WeakPolarHBondContact O-CB 3.37Å; A807-L811 PolarHBondContact O-N 2.94Å; L808-L811 HydrophobicContact CD2-CD2 4.26Å; L808-L811 CarbonylContact O-C 3.57Å; L808-L811 WeakPolarHBondContact O-CB 3.28Å; L808-L811 PolarHBondContact O-N 3.46Å; L808-L811 VanDerWaalsContact O-N 3.08Å; D809-L811 VanDerWaalsContact C-N 3.33Å; D809-L811 PolarHBondContact O-N 3.41Å; L811-A894 VanDerWaalsContact CD1-O 3.23Å; L811-A894 WeakPolarHBondContact CD1-O 3.45Å; L811-V895 HydrophobicContact CB-CG2 4.32Å; L811-V895 HydrophobicContact CD1-CG2 4.42Å
812F54.7Low72.2Confident162 Ų16255.8 Ų55.871%0.71130%0.301SS*.Hα-helixtrans-94.7-13.5-175.2-69.1-57.1000114.5L808 D809L808-F812 HydrophobicContact CB-CD2 4.23Å; L808-F812 HydrophobicContact CB-CE2 4.26Å; L808-F812 HydrophobicContact CD2-CE2 3.96Å; L808-F812 WeakPolarHBondContact O-CB 3.35Å; L808-F812 WeakPolarHBondContact O-CD2 3.39Å; L808-F812 PolarHBondContact O-N 2.94Å; D809-F812 PolarHBondContact O-N 3.21Å
813G50.6Low72.2Confident53 Ų5360 Ų6055%0.54632%0.321SS..THydrogen-bonded Turntrans117.314.4166.600000116.2D809 P815D809-G813 PolarHBondContact O-N 3.34Å; G813-P815 WeakPolarHBondContact O-CD 3.25Å
814D60.7Low72.3Confident94 Ų9459.9 Ų59.950%0.50332%0.32SS..  trans-10858.6176.1-77.1-50000112.6D809 Q816 L817D809-D814 HydrophobicContact CB-CB 4.47Å; D809-D814 PolarHBondContact O-N 3.13Å; D814-Q816 PolarHBondContact O-N 2.94Å; D814-L817 HydrophobicContact CB-CD1 3.91Å; D814-L817 HydrophobicContact CB-CG 4.13Å; D814-L817 PolarHBondContact O-N 3Å
815P64.2Low72.9Confident26 Ų2654 Ų5417%0.16929%0.292CS..THydrogen-bonded Turntrans-64.7-8.9-176.630.9-38000114G813 P819 F864G813-P815 WeakPolarHBondContact O-CD 3.25Å; P815-P819 WeakPolarHBondContact O-CD 3.44Å; P815-F864 HydrophobicContact CB-CD1 3.71Å; P815-F864 HydrophobicContact CB-CD2 4.17Å; P815-F864 HydrophobicContact CB-CE1 3.7Å; P815-F864 HydrophobicContact CB-CE2 4.16Å; P815-F864 HydrophobicContact CB-CG 3.96Å; P815-F864 HydrophobicContact CB-CZ 3.93Å; P815-F864 HydrophobicContact CG-CD1 3.71Å; P815-F864 HydrophobicContact CG-CE1 3.29Å; P815-F864 HydrophobicContact CG-CE2 4.42Å; P815-F864 HydrophobicContact CG-CG 4.44Å; P815-F864 HydrophobicContact CG-CZ 3.7Å
816Q67.4Low73.7Confident148 Ų14854.4 Ų54.469%0.69229%0.289SS*.THydrogen-bonded Turntrans-74.7-24.1171.3-61.9-176.17.900112.7D814D814-Q816 PolarHBondContact O-N 2.94Å
817L68.9Low74.2Confident81 Ų8154.5 Ų54.542%0.42429%0.29SS..THydrogen-bonded Turntrans-84.8-18.6176.5-59.8-178.7000112.4D809 D814 P820 R821D809-L817 HydrophobicContact CB-CB 4.32Å; D809-L817 WeakPolarHBondContact OD2-CB 3.28Å; D814-L817 HydrophobicContact CB-CD1 3.91Å; D814-L817 HydrophobicContact CB-CG 4.13Å; D814-L817 PolarHBondContact O-N 3Å; L817-P820 WeakPolarHBondContact O-CD 3.33Å; L817-P820 WeakPolarHBondContact O-CG 3.49Å; L817-R821 WeakPolarHBondContact O-CG 3.43Å
818C74.4Confident75.2Confident0 Ų052.4 Ų52.40%027%0.273CS..Hα-helixtrans-65.4-48.4-179.2-51.90000114.1A806 E810 R821 Y822 L859A806-C818 PolarHBondContact O-SG 2.97Å; E810-C818 PolarHBondContact N-SG 3.1Å; C818-R821 PolarHBondContact O-N 3.46Å; C818-Y822 HydrophobicContact CB-CD2 4.01Å; C818-Y822 HydrophobicContact CB-CE2 3.97Å; C818-Y822 VanDerWaalsContact O-CD2 3.29Å; C818-Y822 WeakPolarHBondContact O-CD2 3.41Å; C818-Y822 PolarHBondContact O-N 3.28Å; C818-L859 HydrophobicContact CB-CD1 3.9Å
819P77.9Confident76.4Confident9 Ų948.5 Ų48.56%0.05825%0.252CS..Hα-helixtrans-52.3-55178.8-24.530.4000114.5P815 R821 Y822 Q823 L859 F864 V865P815-P819 WeakPolarHBondContact O-CD 3.44Å; P819-R821 VanDerWaalsContact C-N 3.29Å; P819-R821 PolarHBondContact O-N 2.92Å; P819-Y822 PolarHBondContact O-N 3.28Å; P819-Q823 WeakPolarHBondContact O-CB 3.12Å; P819-Q823 PolarHBondContact O-N 2.67Å; P819-L859 HydrophobicContact CG-CD1 4.44Å; P819-F864 HydrophobicContact CG-CB 4.31Å; P819-F864 WeakPolarHBondContact CG-O 3.17Å; P819-V865 HydrophobicContact CB-CG2 4.13Å; P819-V865 HydrophobicContact CG-CG2 4.09Å
820P81.1Confident77.2Confident63 Ų6349.5 Ų49.541%0.40926%0.256SS..Hα-helixtrans-64.9-31.5-177.525-34.6000112.6L817 T824L817-P820 WeakPolarHBondContact O-CD 3.33Å; L817-P820 WeakPolarHBondContact O-CG 3.49Å; P820-T824 WeakPolarHBondContact O-CB 3.28Å; P820-T824 PolarHBondContact O-N 2.9Å; P820-T824 PolarHBondContact O-OG1 3.28Å
821R85Confident78.3Confident77 Ų7748.5 Ų48.529%0.29125%0.251SS..Hα-helixtrans-70.5-48.4174.8-67.9-164.8-151-123.221.5112.4L802 A806 D809 L817 C818 P819 Q823 T824 A825L802-R821 HydrophobicContact CD2-CB 4.2Å; L802-R821 HydrophobicContact CD2-CG 4.11Å; A806-R821 HydrophobicContact CB-CB 3.79Å; D809-R821 VanDerWaalsContact CG-NH2 3.26Å; D809-R821 IonicContact OD1-CZ 2.75Å; D809-R821 IonicContact OD1-NE 3.59Å; D809-R821 IonicContact OD1-NH2 3.49Å; D809-R821 PolarHBondContact OD1-NH2 2.95Å; D809-R821 IonicContact OD2-CZ 3.58Å; D809-R821 IonicContact OD2-NE 2.74Å; D809-R821 PolarHBondContact OD2-NE 3.01Å; D809-R821 IonicContact OD2-NH2 3.55Å; D809-R821 PolarHBondContact OD2-NH2 3.42Å; L817-R821 WeakPolarHBondContact O-CG 3.43Å; C818-R821 PolarHBondContact O-N 3.46Å; P819-R821 VanDerWaalsContact C-N 3.29Å; P819-R821 PolarHBondContact O-N 2.92Å; R821-Q823 VanDerWaalsContact C-N 3.33Å; R821-Q823 PolarHBondContact O-N 3.39Å; R821-T824 PolarHBondContact O-N 2.84Å; R821-A825 WeakPolarHBondContact O-CB 3.27Å; R821-A825 PolarHBondContact O-N 3.02Å
822Y88.9Confident80Confident18 Ų1845.4 Ų45.47%0.07124%0.235CC..Hα-helixtrans-63.9-37.6176-76.6-56.3000111.6A806 E810 C818 P819 A825 F826 V852 R855 L859A806-Y822 HydrophobicContact CB-CD1 3.82Å; A806-Y822 HydrophobicContact CB-CD2 3.67Å; A806-Y822 HydrophobicContact CB-CE1 3.68Å; A806-Y822 HydrophobicContact CB-CE2 3.52Å; A806-Y822 HydrophobicContact CB-CG 3.82Å; E810-Y822 PolarHBondContact OE2-OH 2.86Å; C818-Y822 HydrophobicContact CB-CD2 4.01Å; C818-Y822 HydrophobicContact CB-CE2 3.97Å; C818-Y822 VanDerWaalsContact O-CD2 3.29Å; C818-Y822 WeakPolarHBondContact O-CD2 3.41Å; C818-Y822 PolarHBondContact O-N 3.28Å; P819-Y822 PolarHBondContact O-N 3.28Å; Y822-A825 PolarHBondContact O-N 2.69Å; Y822-F826 WeakPolarHBondContact O-CB 3.41Å; Y822-F826 PolarHBondContact O-N 3.01Å; Y822-V852 HydrophobicContact CD1-CG1 4.04Å; Y822-V852 HydrophobicContact CG-CG1 4.41Å; Y822-V852 WeakPolarHBondContact O-CG1 3.5Å; Y822-R855 HydrophobicContact CD2-CG 4.21Å; Y822-R855 HydrophobicContact CE1-CG 4.24Å; Y822-R855 HydrophobicContact CE2-CG 3.67Å; Y822-L859 HydrophobicContact CD2-CD1 3.57Å; Y822-L859 HydrophobicContact CE2-CD1 3.85Å
823Q88Confident81.6Confident97 Ų9737.9 Ų37.945%0.45320%0.203SC..Hα-helixtrans-64.9-44.9175.4-169.8177.612.500111.5P819 R821 A825 F826 V827P819-Q823 WeakPolarHBondContact O-CB 3.12Å; P819-Q823 PolarHBondContact O-N 2.67Å; R821-Q823 VanDerWaalsContact C-N 3.33Å; R821-Q823 PolarHBondContact O-N 3.39Å; Q823-A825 VanDerWaalsContact C-N 3.34Å; Q823-A825 PolarHBondContact O-N 2.7Å; Q823-F826 PolarHBondContact O-N 3.24Å; Q823-V827 WeakPolarHBondContact O-CG2 3.44Å; Q823-V827 PolarHBondContact O-N 2.8Å
824T88.2Confident83.2Confident22 Ų2241.8 Ų41.814%0.13521%0.207CC..Hα-helixtrans-59.9-43.8173.1-530000111.1L802 P820 R821 V827 L828L802-T824 HydrophobicContact CD1-CG2 3.51Å; P820-T824 WeakPolarHBondContact O-CB 3.28Å; P820-T824 PolarHBondContact O-N 2.9Å; P820-T824 PolarHBondContact O-OG1 3.28Å; R821-T824 PolarHBondContact O-N 2.84Å; T824-V827 PolarHBondContact O-N 3.3Å; T824-L828 HydrophobicContact CG2-CD1 4.22Å; T824-L828 WeakPolarHBondContact O-CG 3.5Å; T824-L828 PolarHBondContact O-N 2.87Å; T824-L828 VanDerWaalsContact O-N 3.1Å
825A91.1Very high84.2Confident0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-65.5-39.1177.400000112.7A799 L802 C803 R821 Y822 Q823 L828 L829A799-A825 HydrophobicContact CB-CB 4.41Å; L802-A825 HydrophobicContact CB-CB 4.05Å; C803-A825 VanDerWaalsContact SG-CB 3.53Å; R821-A825 WeakPolarHBondContact O-CB 3.27Å; R821-A825 PolarHBondContact O-N 3.02Å; Y822-A825 PolarHBondContact O-N 2.69Å; Q823-A825 VanDerWaalsContact C-N 3.34Å; Q823-A825 PolarHBondContact O-N 2.7Å; A825-L828 PolarHBondContact O-N 2.9Å; A825-L829 VanDerWaalsContact O-CB 3.32Å; A825-L829 WeakPolarHBondContact O-CB 3.36Å; A825-L829 WeakPolarHBondContact O-CD1 3.1Å; A825-L829 VanDerWaalsContact O-CG 3.25Å; A825-L829 WeakPolarHBondContact O-CG 3.39Å; A825-L829 PolarHBondContact O-N 2.79Å
826F92.2Very high84.8Confident45 Ų4540 Ų4020%0.19720%0.195CC..Hα-helixtrans-61.2-43.2174.7175.3-93.5000111.8Y822 Q823 H830 K849 V852 E853 L856Y822-F826 WeakPolarHBondContact O-CB 3.41Å; Y822-F826 PolarHBondContact O-N 3.01Å; Q823-F826 PolarHBondContact O-N 3.24Å; F826-H830 WeakPolarHBondContact O-CB 3.39Å; F826-H830 PolarHBondContact O-N 2.75Å; F826-K849 HydrophobicContact CD2-CG 3.63Å; F826-K849 HydrophobicContact CE2-CD 4.06Å; F826-K849 HydrophobicContact CE2-CG 3.55Å; F826-K849 HydrophobicContact CZ-CD 4.49Å; F826-K849 HydrophobicContact CZ-CG 4.4Å; F826-V852 HydrophobicContact CB-CG1 3.9Å; F826-E853 HydrophobicContact CD2-CB 3.99Å; F826-E853 HydrophobicContact CD2-CG 4.28Å; F826-E853 HydrophobicContact CE2-CB 3.7Å; F826-E853 HydrophobicContact CE2-CG 3.66Å; F826-E853 HydrophobicContact CZ-CG 4.32Å; F826-L856 HydrophobicContact CB-CD1 4.23Å
827V90.4Very high85.2Confident3 Ų339.1 Ų39.12%0.01820%0.2CC..Hα-helixtrans-62-46.5176.6169.30000111.4F675 Q678 V679 Q823 T824 H830 T831F675-V827 HydrophobicContact CE2-CG1 4.11Å; F675-V827 HydrophobicContact CZ-CG1 4.48Å; Q678-V827 HydrophobicContact CG-CG1 4.34Å; Q678-V827 HydrophobicContact CG-CG2 4.13Å; Q678-V827 VanDerWaalsContact OE1-CG2 3.29Å; V679-V827 HydrophobicContact CB-CG1 4.4Å; V679-V827 HydrophobicContact CG2-CG1 3.55Å; Q823-V827 WeakPolarHBondContact O-CG2 3.44Å; Q823-V827 PolarHBondContact O-N 2.8Å; T824-V827 PolarHBondContact O-N 3.3Å; V827-H830 PolarHBondContact O-N 2.92Å; V827-T831 WeakPolarHBondContact O-CB 3.37Å; V827-T831 PolarHBondContact O-N 3.01Å; V827-T831 PolarHBondContact O-OG1 3.27Å
828L92.7Very high85.5Confident0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-66.6-46.8178.5-68.1169.7000112.3M795 Y798 A799 L802 T824 A825 H830 T831 L832M795-L828 HydrophobicContact CG-CD2 4.21Å; M795-L828 HydrophobicContact SD-CD2 4.37Å; Y798-L828 HydrophobicContact CD1-CD1 3.57Å; Y798-L828 HydrophobicContact CE1-CD1 4.18Å; Y798-L828 HydrophobicContact CG-CD1 4.46Å; A799-L828 HydrophobicContact CB-CB 4.06Å; A799-L828 HydrophobicContact CB-CD1 4.44Å; L802-L828 HydrophobicContact CD1-CD1 4.02Å; T824-L828 HydrophobicContact CG2-CD1 4.22Å; T824-L828 WeakPolarHBondContact O-CG 3.5Å; T824-L828 PolarHBondContact O-N 2.87Å; T824-L828 VanDerWaalsContact O-N 3.1Å; A825-L828 PolarHBondContact O-N 2.9Å; L828-H830 VanDerWaalsContact C-N 3.3Å; L828-H830 PolarHBondContact O-N 3.35Å; L828-T831 PolarHBondContact O-N 3.07Å; L828-L832 WeakPolarHBondContact O-CG 3.49Å; L828-L832 PolarHBondContact O-N 2.7Å
829L92.5Very high85.4Confident2 Ų241.6 Ų41.61%0.0121%0.212CC..Hα-helixtrans-63-36.2175.8-71.4166.2000111.9Y796 A799 A825 A833 L845 K849 V852Y796-L829 HydrophobicContact CD2-CD2 4.39Å; A799-L829 HydrophobicContact CB-CD2 4.16Å; A799-L829 HydrophobicContact CB-CG 3.92Å; A825-L829 VanDerWaalsContact O-CB 3.32Å; A825-L829 WeakPolarHBondContact O-CB 3.36Å; A825-L829 WeakPolarHBondContact O-CD1 3.1Å; A825-L829 VanDerWaalsContact O-CG 3.25Å; A825-L829 WeakPolarHBondContact O-CG 3.39Å; A825-L829 PolarHBondContact O-N 2.79Å; L829-A833 VanDerWaalsContact O-CB 3.28Å; L829-A833 WeakPolarHBondContact O-CB 3.49Å; L829-A833 PolarHBondContact O-N 3.44Å; L829-L845 HydrophobicContact CD2-CD2 3.84Å; L829-K849 HydrophobicContact CB-CB 4.22Å; L829-V852 HydrophobicContact CD1-CG2 3.99Å
830H90.3Very high85Confident45 Ų4547.7 Ų47.721%0.20824%0.24CC..Hα-helixtrans-66.9-43.1174.5-169.56.7000111.9F675 F826 V827 L828 A833 Q834 K849F675-H830 HydrophobicContact CZ-CB 4.37Å; F826-H830 WeakPolarHBondContact O-CB 3.39Å; F826-H830 PolarHBondContact O-N 2.75Å; V827-H830 PolarHBondContact O-N 2.92Å; L828-H830 VanDerWaalsContact C-N 3.3Å; L828-H830 PolarHBondContact O-N 3.35Å; H830-A833 PolarHBondContact O-N 2.81Å; H830-Q834 PolarHBondContact CE1-NE2 2.86Å; H830-Q834 WeakPolarHBondContact O-CG 3.13Å; H830-Q834 PolarHBondContact O-N 3.41Å; H830-Q834 VanDerWaalsContact O-N 3.14Å; H830-K849 HydrophobicContact CB-CD 3.96Å; H830-K849 PolarHBondContact CD2-NZ 3.37Å; H830-K849 PolarHBondContact CE1-NZ 3.02Å; H830-K849 VanDerWaalsContact CE1-NZ 3.29Å; H830-K849 VanDerWaalsContact CG-NZ 3.31Å; H830-K849 PolarHBondContact ND1-NZ 2.98Å; H830-K849 PolarHBondContact NE2-NZ 3.41Å; H830-K849 VanDerWaalsContact NE2-NZ 3.13Å
831T90.4Very high84.6Confident4 Ų449 Ų493%0.02524%0.243CC..Hα-helixtrans-60.3-48.9177.9-58.20000110.9V679 M731 V827 L828 A833 Q834 Q835V679-T831 HydrophobicContact CG1-CG2 4.15Å; V679-T831 HydrophobicContact CG2-CG2 4.5Å; V679-T831 WeakPolarHBondContact CG2-OG1 3.44Å; M731-T831 HydrophobicContact CE-CG2 4.22Å; M731-T831 HydrophobicContact SD-CG2 4.44Å; V827-T831 WeakPolarHBondContact O-CB 3.37Å; V827-T831 PolarHBondContact O-N 3.01Å; V827-T831 PolarHBondContact O-OG1 3.27Å; L828-T831 PolarHBondContact O-N 3.07Å; T831-A833 VanDerWaalsContact C-N 3.35Å; T831-A833 PolarHBondContact O-N 2.87Å; T831-Q834 PolarHBondContact O-N 2.75Å; T831-Q834 VanDerWaalsContact O-N 3.1Å; T831-Q835 HydrophobicContact CG2-CG 4.46Å; T831-Q835 WeakPolarHBondContact O-CG 3.34Å; T831-Q835 PolarHBondContact O-N 3.23Å
832L91.3Very high84.5Confident4 Ų447.6 Ų47.62%0.02124%0.238CC..Hα-helixtrans-59.3-44.4175.2-69.5167.8000111.6E792 M795 Y796 L828 Q834 Q835 V836 L845E792-L832 HydrophobicContact CB-CD2 3.78Å; E792-L832 HydrophobicContact CG-CD2 4.1Å; M795-L832 HydrophobicContact CB-CD1 4.08Å; M795-L832 HydrophobicContact CB-CD2 4.13Å; M795-L832 HydrophobicContact CB-CG 4.29Å; M795-L832 HydrophobicContact CE-CD2 3.93Å; Y796-L832 HydrophobicContact CD2-CD1 4.33Å; L828-L832 WeakPolarHBondContact O-CG 3.49Å; L828-L832 PolarHBondContact O-N 2.7Å; L832-Q834 PolarHBondContact O-N 2.82Å; L832-Q834 VanDerWaalsContact O-N 3.15Å; L832-Q835 PolarHBondContact O-N 3.03Å; L832-Q835 VanDerWaalsContact O-N 3.09Å; L832-V836 WeakPolarHBondContact O-CB 3.47Å; L832-V836 WeakPolarHBondContact O-CG2 3.26Å; L832-V836 PolarHBondContact O-N 2.77Å; L832-L845 HydrophobicContact CB-CD1 3.75Å; L832-L845 HydrophobicContact CB-CD2 3.87Å; L832-L845 HydrophobicContact CB-CG 4.4Å; L832-L845 HydrophobicContact CD1-CD2 4.04Å
833A88Confident84Confident5 Ų548 Ų484%0.04124%0.244CC..Hα-helixtrans-65.2-14.4177.500000114.6L829 H830 T831 R842 L845 K846L829-A833 VanDerWaalsContact O-CB 3.28Å; L829-A833 WeakPolarHBondContact O-CB 3.49Å; L829-A833 PolarHBondContact O-N 3.44Å; H830-A833 PolarHBondContact O-N 2.81Å; T831-A833 VanDerWaalsContact C-N 3.35Å; T831-A833 PolarHBondContact O-N 2.87Å; A833-R842 WeakPolarHBondContact O-CG 3.48Å; A833-L845 HydrophobicContact CB-CB 3.94Å; A833-K846 HydrophobicContact CB-CG 4.5Å
834Q84.1Confident83.5Confident134 Ų13446.1 Ų46.163%0.62624%0.236SC*.Hα-helixtrans-94.7-29.7171-61.5-73.843.800112.4H830 T831 L832H830-Q834 PolarHBondContact CE1-NE2 2.86Å; H830-Q834 WeakPolarHBondContact O-CG 3.13Å; H830-Q834 PolarHBondContact O-N 3.41Å; H830-Q834 VanDerWaalsContact O-N 3.14Å; T831-Q834 PolarHBondContact O-N 2.75Å; T831-Q834 VanDerWaalsContact O-N 3.1Å; L832-Q834 PolarHBondContact O-N 2.82Å; L832-Q834 VanDerWaalsContact O-N 3.15Å
835Q80.6Confident83.4Confident58 Ų5845.4 Ų45.427%0.27123%0.231SC..Hα-helixtrans-89.2-33.4-174.3-71.6175.2-7.700113.7T831 L832 T837T831-Q835 HydrophobicContact CG2-CG 4.46Å; T831-Q835 WeakPolarHBondContact O-CG 3.34Å; T831-Q835 PolarHBondContact O-N 3.23Å; L832-Q835 PolarHBondContact O-N 3.03Å; L832-Q835 VanDerWaalsContact O-N 3.09Å; Q835-T837 PolarHBondContact O-N 2.75Å
836V77.8Confident83.1Confident25 Ų2548.7 Ų48.715%0.15225%0.245CC..  trans-63.9129.6177.4170.20000110.1L832 D838 D841 R842 L845L832-V836 WeakPolarHBondContact O-CB 3.47Å; L832-V836 WeakPolarHBondContact O-CG2 3.26Å; L832-V836 PolarHBondContact O-N 2.77Å; V836-D838 HydrophobicContact CG1-CB 4.13Å; V836-D838 WeakPolarHBondContact CG1-O 3.34Å; V836-D841 HydrophobicContact CG1-CB 3.76Å; V836-R842 HydrophobicContact CG1-CB 4.46Å; V836-R842 VanDerWaalsContact O-CZ 3.26Å; V836-R842 PolarHBondContact O-NE 2.79Å; V836-R842 VanDerWaalsContact O-NE 3.14Å; V836-R842 PolarHBondContact O-NH2 2.78Å; V836-L845 HydrophobicContact CB-CD1 4.27Å; V836-L845 HydrophobicContact CG2-CD1 3.65Å
837T75.1Confident82.7Confident130 Ų13052 Ų5280%0.79826%0.26SS*.  trans-80.9-35.2178.245.90000113.2Q835Q835-T837 PolarHBondContact O-N 2.75Å
838D75.3Confident82.4Confident79 Ų7956.9 Ų56.942%0.42228%0.278SS..  trans-69.2140.3176.717357.4000112.6V836 E840 D841 R842V836-D838 HydrophobicContact CG1-CB 4.13Å; V836-D838 WeakPolarHBondContact CG1-O 3.34Å; D838-E840 WeakPolarHBondContact OD2-CA 3.47Å; D838-E840 WeakPolarHBondContact OD2-CB 3.25Å; D838-E840 PolarHBondContact OD2-N 3Å; D838-D841 PolarHBondContact OD2-N 2.74Å; D838-R842 WeakPolarHBondContact O-CB 3.29Å; D838-R842 PolarHBondContact O-N 3.49Å
839E73.5Confident82.3Confident54 Ų5458.6 Ų58.625%0.25229%0.286SS..Hα-helixtrans-88.9-18.5-177.6-164.864.3-13100113.2R842 C843 K846E839-R842 WeakPolarHBondContact OE2-CD 3.47Å; E839-R842 IonicContact OE2-CZ 3.11Å; E839-R842 IonicContact OE2-NE 3.78Å; E839-R842 IonicContact OE2-NH1 3.94Å; E839-R842 PolarHBondContact OE2-NH1 3.01Å; E839-C843 WeakPolarHBondContact O-CB 3.31Å; E839-C843 PolarHBondContact O-N 2.94Å; E839-K846 IonicContact OE1-NZ 2.74Å; E839-K846 PolarHBondContact OE1-NZ 3.36Å
840E68.1Low82Confident137 Ų13761.5 Ų61.564%0.6430%0.302SS*.Hα-helixtrans-68.5-56.6171.9-74.7-117.1129.100110.7D838 R842 C843 I844D838-E840 WeakPolarHBondContact OD2-CA 3.47Å; D838-E840 WeakPolarHBondContact OD2-CB 3.25Å; D838-E840 PolarHBondContact OD2-N 3Å; E840-R842 VanDerWaalsContact C-N 3.3Å; E840-R842 PolarHBondContact O-N 3.33Å; E840-C843 CarbonylContact O-C 3.58Å; E840-C843 WeakPolarHBondContact O-CA 3.21Å; E840-C843 WeakPolarHBondContact O-CB 3.18Å; E840-C843 PolarHBondContact O-N 2.8Å; E840-I844 WeakPolarHBondContact O-CG1 3.32Å; E840-I844 PolarHBondContact O-N 3.29Å
841D73Confident81.7Confident90 Ų9062 Ų6248%0.48131%0.314SS..Hα-helixtrans-61.2-39.9176.4-99-15.6000110.5V836 D838 C843 I844 L845V836-D841 HydrophobicContact CG1-CB 3.76Å; D838-D841 PolarHBondContact OD2-N 2.74Å; D841-C843 VanDerWaalsContact C-N 3.3Å; D841-C843 PolarHBondContact O-N 2.73Å; D841-I844 PolarHBondContact O-N 2.98Å; D841-L845 WeakPolarHBondContact O-CB 3.41Å; D841-L845 WeakPolarHBondContact O-CD1 3.24Å; D841-L845 VanDerWaalsContact O-CG 3.22Å; D841-L845 WeakPolarHBondContact O-CG 3.14Å; D841-L845 PolarHBondContact O-N 2.94Å
842R83.9Confident81.7Confident48 Ų4862.3 Ų62.318%0.18132%0.315CS..Hα-helixtrans-61.1-38.4172.4-170.1-174.8-67.2152-7.9111.8A833 V836 D838 E839 E840 K846A833-R842 WeakPolarHBondContact O-CG 3.48Å; V836-R842 HydrophobicContact CG1-CB 4.46Å; V836-R842 VanDerWaalsContact O-CZ 3.26Å; V836-R842 PolarHBondContact O-NE 2.79Å; V836-R842 VanDerWaalsContact O-NE 3.14Å; V836-R842 PolarHBondContact O-NH2 2.78Å; D838-R842 WeakPolarHBondContact O-CB 3.29Å; D838-R842 PolarHBondContact O-N 3.49Å; E839-R842 WeakPolarHBondContact OE2-CD 3.47Å; E839-R842 IonicContact OE2-CZ 3.11Å; E839-R842 IonicContact OE2-NE 3.78Å; E839-R842 IonicContact OE2-NH1 3.94Å; E839-R842 PolarHBondContact OE2-NH1 3.01Å; E840-R842 VanDerWaalsContact C-N 3.3Å; E840-R842 PolarHBondContact O-N 3.33Å; R842-K846 HydrophobicContact CG-CD 4.32Å; R842-K846 WeakPolarHBondContact O-CB 3.17Å; R842-K846 WeakPolarHBondContact O-CD 3.37Å; R842-K846 WeakPolarHBondContact O-CG 3.16Å; R842-K846 PolarHBondContact O-N 3.24Å
843C77.6Confident81.6Confident27 Ų2764.6 Ų64.618%0.18233%0.326CS..Hα-helixtrans-68.8-37.3175-173.10000112.2E839 E840 D841 K847E839-C843 WeakPolarHBondContact O-CB 3.31Å; E839-C843 PolarHBondContact O-N 2.94Å; E840-C843 CarbonylContact O-C 3.58Å; E840-C843 WeakPolarHBondContact O-CA 3.21Å; E840-C843 WeakPolarHBondContact O-CB 3.18Å; E840-C843 PolarHBondContact O-N 2.8Å; D841-C843 VanDerWaalsContact C-N 3.3Å; D841-C843 PolarHBondContact O-N 2.73Å; C843-K847 WeakPolarHBondContact O-CD 3.31Å; C843-K847 WeakPolarHBondContact O-CG 3.46Å; C843-K847 PolarHBondContact O-N 2.94Å; C843-K847 WeakPolarHBondContact SG-CE 3.43Å; C843-K847 PolarHBondContact SG-NZ 2.81Å
844I77.8Confident81.4Confident56 Ų5669.7 Ų69.729%0.28735%0.347SS..Hα-helixtrans-65-48.2173.5-68.5165.5000110.7E840 D841 K846 K847 Y848E840-I844 WeakPolarHBondContact O-CG1 3.32Å; E840-I844 PolarHBondContact O-N 3.29Å; D841-I844 PolarHBondContact O-N 2.98Å; I844-K846 PolarHBondContact O-N 3.09Å; I844-K847 WeakPolarHBondContact O-CB 3.19Å; I844-K847 PolarHBondContact O-N 2.81Å; I844-K847 VanDerWaalsContact O-N 3.16Å; I844-Y848 HydrophobicContact CG2-CD2 3.81Å; I844-Y848 HydrophobicContact CG2-CE2 3.57Å; I844-Y848 VanDerWaalsContact O-CD2 3.27Å; I844-Y848 WeakPolarHBondContact O-CD2 3.29Å; I844-Y848 PolarHBondContact O-N 3.47Å
845L85.6Confident81.5Confident7 Ų765.5 Ų65.54%0.03733%0.326CS..Hα-helixtrans-63.5-40.7177.6-69.9162.6000112Y796 L829 L832 A833 V836 D841 Y848 K849Y796-L845 HydrophobicContact CD2-CD2 3.69Å; Y796-L845 HydrophobicContact CE2-CD2 3.91Å; L829-L845 HydrophobicContact CD2-CD2 3.84Å; L832-L845 HydrophobicContact CB-CD1 3.75Å; L832-L845 HydrophobicContact CB-CD2 3.87Å; L832-L845 HydrophobicContact CB-CG 4.4Å; L832-L845 HydrophobicContact CD1-CD2 4.04Å; A833-L845 HydrophobicContact CB-CB 3.94Å; V836-L845 HydrophobicContact CB-CD1 4.27Å; V836-L845 HydrophobicContact CG2-CD1 3.65Å; D841-L845 WeakPolarHBondContact O-CB 3.41Å; D841-L845 WeakPolarHBondContact O-CD1 3.24Å; D841-L845 VanDerWaalsContact O-CG 3.22Å; D841-L845 WeakPolarHBondContact O-CG 3.14Å; D841-L845 PolarHBondContact O-N 2.94Å; L845-Y848 PolarHBondContact O-N 2.69Å; L845-K849 WeakPolarHBondContact O-CB 3.28Å; L845-K849 PolarHBondContact O-N 3.15Å
846K84.9Confident81.6Confident70 Ų7064.2 Ų64.230%0.30432%0.32SS..Hα-helixtrans-56.7-49.8169.5-76.1163-178.2166.80111.1A833 E839 R842 I844 Y848 K849 D850A833-K846 HydrophobicContact CB-CG 4.5Å; E839-K846 IonicContact OE1-NZ 2.74Å; E839-K846 PolarHBondContact OE1-NZ 3.36Å; R842-K846 HydrophobicContact CG-CD 4.32Å; R842-K846 WeakPolarHBondContact O-CB 3.17Å; R842-K846 WeakPolarHBondContact O-CD 3.37Å; R842-K846 WeakPolarHBondContact O-CG 3.16Å; R842-K846 PolarHBondContact O-N 3.24Å; I844-K846 PolarHBondContact O-N 3.09Å; K846-Y848 VanDerWaalsContact C-N 3.31Å; K846-Y848 PolarHBondContact O-N 3.27Å; K846-K849 PolarHBondContact O-N 3.15Å; K846-D850 VanDerWaalsContact O-CB 3.28Å; K846-D850 WeakPolarHBondContact O-CB 3.41Å; K846-D850 PolarHBondContact O-N 3Å
847K83.4Confident81.8Confident115 Ų11569.4 Ų69.450%0.534%0.337SS..Hα-helixtrans-57.4-40.3177.9-71.3157.3-174155.90112.5C843 I844 A851C843-K847 WeakPolarHBondContact O-CD 3.31Å; C843-K847 WeakPolarHBondContact O-CG 3.46Å; C843-K847 PolarHBondContact O-N 2.94Å; C843-K847 WeakPolarHBondContact SG-CE 3.43Å; C843-K847 PolarHBondContact SG-NZ 2.81Å; I844-K847 WeakPolarHBondContact O-CB 3.19Å; I844-K847 PolarHBondContact O-N 2.81Å; I844-K847 VanDerWaalsContact O-N 3.16Å; K847-A851 PolarHBondContact O-N 2.99Å
848Y84.2Confident81.9Confident104 Ų10466.8 Ų66.841%0.40832%0.317SS..Hα-helixtrans-70.8-45.4175.4-75.8-63.8000112.7Y796 I844 L845 K846 D850 A851 V852Y796-Y848 HydrophobicContact CE2-CD2 4.49Å; I844-Y848 HydrophobicContact CG2-CD2 3.81Å; I844-Y848 HydrophobicContact CG2-CE2 3.57Å; I844-Y848 VanDerWaalsContact O-CD2 3.27Å; I844-Y848 WeakPolarHBondContact O-CD2 3.29Å; I844-Y848 PolarHBondContact O-N 3.47Å; L845-Y848 PolarHBondContact O-N 2.69Å; K846-Y848 VanDerWaalsContact C-N 3.31Å; K846-Y848 PolarHBondContact O-N 3.27Å; Y848-D850 VanDerWaalsContact C-N 3.32Å; Y848-D850 PolarHBondContact O-N 3.47Å; Y848-A851 PolarHBondContact O-N 3.02Å; Y848-A851 VanDerWaalsContact O-N 3.13Å; Y848-V852 WeakPolarHBondContact O-CG2 3.5Å; Y848-V852 PolarHBondContact O-N 3.03Å
849K91.4Very high82Confident36 Ų3663 Ų6316%0.15730%0.297CS..Hα-helixtrans-53.4-50.7174.3-177.7-166.7170.8-178.60110.6F826 L829 H830 L845 K846 A851 V852 E853F826-K849 HydrophobicContact CD2-CG 3.63Å; F826-K849 HydrophobicContact CE2-CD 4.06Å; F826-K849 HydrophobicContact CE2-CG 3.55Å; F826-K849 HydrophobicContact CZ-CD 4.49Å; F826-K849 HydrophobicContact CZ-CG 4.4Å; L829-K849 HydrophobicContact CB-CB 4.22Å; H830-K849 HydrophobicContact CB-CD 3.96Å; H830-K849 PolarHBondContact CD2-NZ 3.37Å; H830-K849 PolarHBondContact CE1-NZ 3.02Å; H830-K849 VanDerWaalsContact CE1-NZ 3.29Å; H830-K849 VanDerWaalsContact CG-NZ 3.31Å; H830-K849 PolarHBondContact ND1-NZ 2.98Å; H830-K849 PolarHBondContact NE2-NZ 3.41Å; H830-K849 VanDerWaalsContact NE2-NZ 3.13Å; L845-K849 WeakPolarHBondContact O-CB 3.28Å; L845-K849 PolarHBondContact O-N 3.15Å; K846-K849 PolarHBondContact O-N 3.15Å; K849-A851 VanDerWaalsContact C-N 3.3Å; K849-A851 PolarHBondContact O-N 3.15Å; K849-V852 PolarHBondContact O-N 3.47Å; K849-E853 WeakPolarHBondContact O-CB 3.38Å; K849-E853 PolarHBondContact O-N 2.99Å
850D86.5Confident82Confident64 Ų6465.8 Ų65.834%0.34231%0.31SS..Hα-helixtrans-55.5-39.9176.8-101.949.9000113.5K846 Y848 K854K846-D850 VanDerWaalsContact O-CB 3.28Å; K846-D850 WeakPolarHBondContact O-CB 3.41Å; K846-D850 PolarHBondContact O-N 3Å; Y848-D850 VanDerWaalsContact C-N 3.32Å; Y848-D850 PolarHBondContact O-N 3.47Å; D850-K854 WeakPolarHBondContact O-CB 3.45Å; D850-K854 WeakPolarHBondContact O-CD 3.49Å; D850-K854 WeakPolarHBondContact O-CG 3.28Å; D850-K854 PolarHBondContact O-N 3.21Å; D850-K854 IonicContact OD2-NZ 2.92Å; D850-K854 PolarHBondContact OD2-NZ 3.23Å
851A84.3Confident82.3Confident56 Ų5667.9 Ų67.946%0.46332%0.317SS..Hα-helixtrans-71.5-42.7-179.700000111.4K847 Y848 K849 K854 R855K847-A851 PolarHBondContact O-N 2.99Å; Y848-A851 PolarHBondContact O-N 3.02Å; Y848-A851 VanDerWaalsContact O-N 3.13Å; K849-A851 VanDerWaalsContact C-N 3.3Å; K849-A851 PolarHBondContact O-N 3.15Å; A851-K854 PolarHBondContact O-N 3.38Å; A851-R855 PolarHBondContact O-N 3.47Å
852V89Confident82.3Confident9 Ų966.9 Ų66.96%0.05531%0.31CS..Hα-helixtrans-64-42.6174.51760000110.8C803 Y822 F826 L829 Y848 K849 K854 R855 L856C803-V852 VanDerWaalsContact SG-CG2 3.52Å; Y822-V852 HydrophobicContact CD1-CG1 4.04Å; Y822-V852 HydrophobicContact CG-CG1 4.41Å; Y822-V852 WeakPolarHBondContact O-CG1 3.5Å; F826-V852 HydrophobicContact CB-CG1 3.9Å; L829-V852 HydrophobicContact CD1-CG2 3.99Å; Y848-V852 WeakPolarHBondContact O-CG2 3.5Å; Y848-V852 PolarHBondContact O-N 3.03Å; K849-V852 PolarHBondContact O-N 3.47Å; V852-K854 PolarHBondContact O-N 2.87Å; V852-R855 PolarHBondContact O-N 3.46Å; V852-R855 VanDerWaalsContact O-N 3.1Å; V852-L856 HydrophobicContact CG1-CD1 4.24Å; V852-L856 PolarHBondContact O-N 3.19Å
853E88.6Confident81.6Confident52 Ų5267.7 Ų67.724%0.24333%0.333CS..Hα-helixtrans-62.7-43.2176.3-157-170.3149.100112F826 K849 R855 L856 R857F826-E853 HydrophobicContact CD2-CB 3.99Å; F826-E853 HydrophobicContact CD2-CG 4.28Å; F826-E853 HydrophobicContact CE2-CB 3.7Å; F826-E853 HydrophobicContact CE2-CG 3.66Å; F826-E853 HydrophobicContact CZ-CG 4.32Å; K849-E853 WeakPolarHBondContact O-CB 3.38Å; K849-E853 PolarHBondContact O-N 2.99Å; E853-R855 PolarHBondContact O-N 3.4Å; E853-L856 PolarHBondContact O-N 3.01Å; E853-R857 WeakPolarHBondContact O-CG 3.31Å; E853-R857 PolarHBondContact O-N 2.9Å; E853-R857 IonicContact OE1-CZ 2.7Å; E853-R857 VanDerWaalsContact OE1-CZ 3.26Å; E853-R857 IonicContact OE1-NE 3.55Å; E853-R857 PolarHBondContact OE1-NE 3.47Å; E853-R857 VanDerWaalsContact OE1-NE 3.11Å; E853-R857 IonicContact OE1-NH2 3.3Å; E853-R857 PolarHBondContact OE1-NH2 2.94Å
854K84.6Confident80.9Confident113 Ų11369.3 Ų69.349%0.49134%0.337SS..Hα-helixtrans-61.4-32.9174-73.7158.4-163.3148.60111.7D850 A851 V852 I858D850-K854 WeakPolarHBondContact O-CB 3.45Å; D850-K854 WeakPolarHBondContact O-CD 3.49Å; D850-K854 WeakPolarHBondContact O-CG 3.28Å; D850-K854 PolarHBondContact O-N 3.21Å; D850-K854 IonicContact OD2-NZ 2.92Å; D850-K854 PolarHBondContact OD2-NZ 3.23Å; A851-K854 PolarHBondContact O-N 3.38Å; V852-K854 PolarHBondContact O-N 2.87Å; K854-I858 VanDerWaalsContact O-CD1 3.31Å; K854-I858 WeakPolarHBondContact O-CD1 3.32Å; K854-I858 WeakPolarHBondContact O-CG1 3.41Å; K854-I858 PolarHBondContact O-N 2.95Å
855R86.1Confident79.8Confident46 Ų4669.1 Ų69.117%0.17434%0.339CS..Hα-helixtrans-73.9-41.4174.2-169.769-159.4129.323.5112.4E810 Y822 A851 V852 E853 I858 L859E810-R855 VanDerWaalsContact CD-CZ 3.43Å; E810-R855 VanDerWaalsContact CD-NE 3.28Å; E810-R855 IonicContact OE1-CZ 2.76Å; E810-R855 IonicContact OE1-NE 2.85Å; E810-R855 PolarHBondContact OE1-NE 2.99Å; E810-R855 VanDerWaalsContact OE1-NE 3.09Å; E810-R855 IonicContact OE1-NH1 3.93Å; E810-R855 IonicContact OE1-NH2 2.65Å; E810-R855 PolarHBondContact OE1-NH2 3.34Å; E810-R855 IonicContact OE2-CZ 3.51Å; E810-R855 VanDerWaalsContact OE2-CZ 3.25Å; E810-R855 IonicContact OE2-NE 2.67Å; E810-R855 PolarHBondContact OE2-NE 2.88Å; E810-R855 IonicContact OE2-NH2 3.13Å; E810-R855 PolarHBondContact OE2-NH2 3.34Å; Y822-R855 HydrophobicContact CD2-CG 4.21Å; Y822-R855 HydrophobicContact CE1-CG 4.24Å; Y822-R855 HydrophobicContact CE2-CG 3.67Å; A851-R855 PolarHBondContact O-N 3.47Å; V852-R855 PolarHBondContact O-N 3.46Å; V852-R855 VanDerWaalsContact O-N 3.1Å; E853-R855 PolarHBondContact O-N 3.4Å; R855-I858 WeakPolarHBondContact O-CA 3.2Å; R855-I858 WeakPolarHBondContact O-CB 3.3Å; R855-I858 PolarHBondContact O-N 3.22Å; R855-L859 VanDerWaalsContact NH2-CD2 3.32Å; R855-L859 PolarHBondContact O-N 3.18Å
856L83.3Confident77.6Confident30 Ų3074 Ų7416%0.15737%0.373CS..Hα-helixtrans-57.8-48.7173-74.8167.6000111.5F826 V852 E853 I858 L859 E860F826-L856 HydrophobicContact CB-CD1 4.23Å; V852-L856 HydrophobicContact CG1-CD1 4.24Å; V852-L856 PolarHBondContact O-N 3.19Å; E853-L856 PolarHBondContact O-N 3.01Å; L856-I858 PolarHBondContact O-N 3.38Å; L856-I858 VanDerWaalsContact O-N 3.13Å; L856-L859 PolarHBondContact O-N 2.85Å; L856-L859 VanDerWaalsContact O-N 3.12Å; L856-E860 WeakPolarHBondContact O-CB 3.29Å; L856-E860 PolarHBondContact O-N 3.12Å
857R81.2Confident74.9Confident134 Ų13475 Ų7551%0.50639%0.394SS..Hα-helixtrans-62.4-15.8174-65.4177-171.1-162.45.9114.2E853 K861E853-R857 WeakPolarHBondContact O-CG 3.31Å; E853-R857 PolarHBondContact O-N 2.9Å; E853-R857 IonicContact OE1-CZ 2.7Å; E853-R857 VanDerWaalsContact OE1-CZ 3.26Å; E853-R857 IonicContact OE1-NE 3.55Å; E853-R857 PolarHBondContact OE1-NE 3.47Å; E853-R857 VanDerWaalsContact OE1-NE 3.11Å; E853-R857 IonicContact OE1-NH2 3.3Å; E853-R857 PolarHBondContact OE1-NH2 2.94Å; R857-K861 WeakPolarHBondContact O-CD 3.3Å; R857-K861 VanDerWaalsContact O-CG 3.32Å; R857-K861 WeakPolarHBondContact O-CG 3.36Å
858I77.4Confident72.4Confident75 Ų7578.5 Ų78.539%0.38541%0.412SS..Hα-helixtrans-88.7-44.4171.4-67.4162000110.4K854 R855 L856 E860 K861 Q862K854-I858 VanDerWaalsContact O-CD1 3.31Å; K854-I858 WeakPolarHBondContact O-CD1 3.32Å; K854-I858 WeakPolarHBondContact O-CG1 3.41Å; K854-I858 PolarHBondContact O-N 2.95Å; R855-I858 WeakPolarHBondContact O-CA 3.2Å; R855-I858 WeakPolarHBondContact O-CB 3.3Å; R855-I858 PolarHBondContact O-N 3.22Å; L856-I858 PolarHBondContact O-N 3.38Å; L856-I858 VanDerWaalsContact O-N 3.13Å; I858-E860 VanDerWaalsContact C-N 3.26Å; I858-E860 PolarHBondContact O-N 3.39Å; I858-K861 CarbonylContact O-C 3.5Å; I858-K861 PolarHBondContact O-N 3.49Å; I858-K861 VanDerWaalsContact O-N 3.16Å; I858-Q862 HydrophobicContact CG2-CG 4.26Å; I858-Q862 WeakPolarHBondContact O-CB 3.28Å; I858-Q862 VanDerWaalsContact O-CG 3.25Å; I858-Q862 WeakPolarHBondContact O-CG 3.32Å; I858-Q862 PolarHBondContact O-N 2.93Å
859L78.1Confident69.7Low0 Ų080.1 Ų80.10%042%0.424CS..Hα-helixtrans-59.8-37.4174.6-72.5169.2000112C818 P819 Y822 R855 L856 Q862 G863 F864 V865C818-L859 HydrophobicContact CB-CD1 3.9Å; P819-L859 HydrophobicContact CG-CD1 4.44Å; Y822-L859 HydrophobicContact CD2-CD1 3.57Å; Y822-L859 HydrophobicContact CE2-CD1 3.85Å; R855-L859 VanDerWaalsContact NH2-CD2 3.32Å; R855-L859 PolarHBondContact O-N 3.18Å; L856-L859 PolarHBondContact O-N 2.85Å; L856-L859 VanDerWaalsContact O-N 3.12Å; L859-Q862 CarbonylContact O-C 3.39Å; L859-Q862 PolarHBondContact O-N 2.89Å; L859-G863 PolarHBondContact O-N 3.32Å; L859-G863 VanDerWaalsContact O-N 3.09Å; L859-F864 HydrophobicContact CB-CB 4.44Å; L859-F864 HydrophobicContact CD2-CB 4.33Å; L859-F864 HydrophobicContact CD2-CD2 4.08Å; L859-F864 PolarHBondContact O-N 2.67Å; L859-V865 HydrophobicContact CB-CG2 3.9Å
860E73.2Confident66.5Low112 Ų11283.3 Ų83.352%0.52345%0.448SS..Hα-helixtrans-58.4-53.1171.1-179.4-173.3-156.600111.1L856 I858 Q862 G863 V865L856-E860 WeakPolarHBondContact O-CB 3.29Å; L856-E860 PolarHBondContact O-N 3.12Å; I858-E860 VanDerWaalsContact C-N 3.26Å; I858-E860 PolarHBondContact O-N 3.39Å; E860-Q862 PolarHBondContact O-N 3.05Å; E860-G863 PolarHBondContact O-N 3.35Å; E860-V865 HydrophobicContact CB-CB 4.15Å; E860-V865 HydrophobicContact CB-CG2 4.06Å
861K74.7Confident63.6Low181 Ų18183.6 Ų83.679%0.78746%0.455SS*.Hα-helixtrans-65.8-15.6175-71.8179-179.3-173.30114.3R857 I858R857-K861 WeakPolarHBondContact O-CD 3.3Å; R857-K861 VanDerWaalsContact O-CG 3.32Å; R857-K861 WeakPolarHBondContact O-CG 3.36Å; I858-K861 CarbonylContact O-C 3.5Å; I858-K861 PolarHBondContact O-N 3.49Å; I858-K861 VanDerWaalsContact O-N 3.16Å
862Q73.5Confident60.9Low70 Ų7088.8 Ų88.833%0.32747%0.47SS..THydrogen-bonded Turntrans-94.9-1.5173.9-70.3179.7-4400112.8I858 L859 E860 F864I858-Q862 HydrophobicContact CG2-CG 4.26Å; I858-Q862 WeakPolarHBondContact O-CB 3.28Å; I858-Q862 VanDerWaalsContact O-CG 3.25Å; I858-Q862 WeakPolarHBondContact O-CG 3.32Å; I858-Q862 PolarHBondContact O-N 2.93Å; L859-Q862 CarbonylContact O-C 3.39Å; L859-Q862 PolarHBondContact O-N 2.89Å; E860-Q862 PolarHBondContact O-N 3.05Å; Q862-F864 HydrophobicContact CB-CD2 3.65Å; Q862-F864 HydrophobicContact CB-CE2 3.74Å
863G67.9Low58Low65 Ų6593.5 Ų93.567%0.6750%0.501SS*.THydrogen-bonded Turntrans8115.7176.200000115.4L859 E860L859-G863 PolarHBondContact O-N 3.32Å; L859-G863 VanDerWaalsContact O-N 3.09Å; E860-G863 PolarHBondContact O-N 3.35Å
864F63.1Low55.4Low61 Ų6199.1 Ų99.127%0.26853%0.532SS..  trans-93.4-12.7178.6-62.7-68.1000114.1P815 P819 L859 Q862 Y896P815-F864 HydrophobicContact CB-CD1 3.71Å; P815-F864 HydrophobicContact CB-CD2 4.17Å; P815-F864 HydrophobicContact CB-CE1 3.7Å; P815-F864 HydrophobicContact CB-CE2 4.16Å; P815-F864 HydrophobicContact CB-CG 3.96Å; P815-F864 HydrophobicContact CB-CZ 3.93Å; P815-F864 HydrophobicContact CG-CD1 3.71Å; P815-F864 HydrophobicContact CG-CE1 3.29Å; P815-F864 HydrophobicContact CG-CE2 4.42Å; P815-F864 HydrophobicContact CG-CG 4.44Å; P815-F864 HydrophobicContact CG-CZ 3.7Å; P819-F864 HydrophobicContact CG-CB 4.31Å; P819-F864 WeakPolarHBondContact CG-O 3.17Å; L859-F864 HydrophobicContact CB-CB 4.44Å; L859-F864 HydrophobicContact CD2-CB 4.33Å; L859-F864 HydrophobicContact CD2-CD2 4.08Å; L859-F864 PolarHBondContact O-N 2.67Å; Q862-F864 HydrophobicContact CB-CD2 3.65Å; Q862-F864 HydrophobicContact CB-CE2 3.74Å; F864-Y896 VanDerWaalsContact CE2-OH 3.23Å; F864-Y896 WeakPolarHBondContact CE2-OH 3.32Å
865V54.2Low52.8Low52 Ų5299.7 Ų99.732%0.31555%0.547SS..SBendtrans-100.4115.9176.6-173.70000109.1P819 L859 E860 A867P819-V865 HydrophobicContact CB-CG2 4.13Å; P819-V865 HydrophobicContact CG-CG2 4.09Å; L859-V865 HydrophobicContact CB-CG2 3.9Å; E860-V865 HydrophobicContact CB-CB 4.15Å; E860-V865 HydrophobicContact CB-CG2 4.06Å; V865-A867 PolarHBondContact O-N 3.01Å
866S41Very low50.1Low109 Ų109103.9 Ų103.976%0.76257%0.573SS**  trans-67.5124171.2-54.10000110.2E868S866-E868 PolarHBondContact O-N 3.24Å; S866-E868 VanDerWaalsContact O-N 3.09Å
867A27.3Very low47.5Very low91 Ų91111.1 Ų111.175%0.75260%0.603SS**  trans-84.378.2-176.200000112.7V865 Q869V865-A867 PolarHBondContact O-N 3.01Å; A867-Q869 PolarHBondContact O-N 3.28Å
868E31.7Very low45Very low188 Ų188109.2 Ų109.288%0.87962%0.616SS**  trans-74.4101.9163.7-68.8-169.815800109.8S866S866-E868 PolarHBondContact O-N 3.24Å; S866-E868 VanDerWaalsContact O-N 3.09Å
869Q25.7Very low42.7Very low139 Ų139112.7 Ų112.765%0.6564%0.635SS**  trans-72.3146.8-179.9-71.1-171.2-5.200112.7A867A867-Q869 PolarHBondContact O-N 3.28Å
870P24.6Very low40.4Very low103 Ų103122 Ų12267%0.66967%0.671SS**  -113137.999.4-12.330.2000115.2
871S26.1Very low38.2Very low70 Ų70128 Ų12849%0.4969%0.688SS.*  trans9.7105149.451.10000117.9
872Q27.6Very low35.9Very low164 Ų164130.8 Ų130.877%0.76669%0.694SS**  81152.283.8-83.6-163.63200115.6
873P28.7Very low33.6Very low109 Ų109136 Ų13671%0.70871%0.711SS**  cis-136.2164-29.537.1-20.5000114.9
874L34.3Very low31.4Very low169 Ų169139.7 Ų139.789%0.88571%0.708SS**  trans-100.9150159.9-80.8165.9000110.3
875P28.7Very low29.7Very low125 Ų125144.7 Ų144.781%0.81274%0.737SS**  trans-106.3165.1152.827.1-13000112.7
876D30.2Very low28.3Very low135 Ų135150.9 Ų150.972%0.72276%0.76SS**  trans-145172-157172.338.8000110.9
877K28.7Very low27.5Very low181 Ų181150.5 Ų150.579%0.78776%0.758SS**  trans78.1145.4169.6-52.9166.8-167165.70115.6
878A28.3Very low27.3Very low94 Ų94154.3 Ų154.378%0.77776%0.757SS**  cis-154.7173.2-22.700000107.3
879D28.5Very low27Very low149 Ų149152.6 Ų152.680%0.79774%0.744SS**  -156.6158.777.5-152.5-11.1000113.5
880R30.2Very low26.9Very low196 Ų196156.5 Ų156.574%0.7475%0.753SS**  trans-108.5105.9173.4-71.3176.9173.1-177.3-1.3109.9
881R27Very low27Very low237 Ų237158 Ų15889%0.89475%0.752SS**  trans-166.461.2160-105.7142.2-160.9-104.34.1116.1
882R26Very low27.1Very low239 Ų239157.2 Ų157.290%0.90275%0.745SS**  trans-143.684.1146.8-130.3176.3-170-178.43110.8
883W25.7Very low26.9Very low179 Ų179152.9 Ų152.968%0.67873%0.734SS**  trans-104.2111.2173.8-81.354.5000108.6F886W883-F886 HydrophobicContact CE3-CE2 4.07Å; W883-F886 HydrophobicContact CZ3-CE2 4.11Å; W883-F886 HydrophobicContact CZ3-CZ 4.5Å
884K22.7Very low26.8Very low143 Ų143148.3 Ų148.362%0.62271%0.705SS**  trans-171.7152.4158.8-106.4158.3-171179.50109E360E360-K884 IonicContact OE1-NZ 2.67Å; E360-K884 PolarHBondContact OE1-NZ 2.72Å
885L25.5Very low26.3Very low167 Ų167142.1 Ų142.187%0.87467%0.674SS**  trans55.173.4-172-68.499.1000116S887L885-S887 PolarHBondContact O-N 3.43Å
886F26.4Very low26.1Very low181 Ų181140 Ų14079%0.79465%0.65SS**  trans-73.6102.7158.3-99.9-107.2000110.2W883W883-F886 HydrophobicContact CE3-CE2 4.07Å; W883-F886 HydrophobicContact CZ3-CE2 4.11Å; W883-F886 HydrophobicContact CZ3-CZ 4.5Å
887S22.8Very low25.8Very low102 Ų102141.4 Ų141.471%0.71365%0.65SS**  trans-165.5140.9172.4-1730000110.8L885L885-S887 PolarHBondContact O-N 3.43Å
888F24.1Very low25.6Very low171 Ų171139.1 Ų139.175%0.7566%0.655SS**SBendcis-147.1160.6-9.9-132.8-140.4000108.2
889Y26.2Very low25.3Very low151 Ų151142.1 Ų142.159%0.59265%0.653SS**  trans52.7103.6173.9-77.5-75.6000120.3
890R23.5Very low25Very low222 Ų222142.9 Ų142.984%0.83866%0.656SS**  trans-130.7129.7165176.5-136.2-176159.71.4107.8
891M26.5Very low24.7Very low134 Ų134142.6 Ų142.666%0.6666%0.66SS**  trans65.5-172.9164.6-107.9157.3-176.200114
892P26.8Very low24.6Very low53 Ų53143 Ų14334%0.34466%0.662SS.*  cis-109.6179.414.444.6-33.9000114.1F1040P892-F1040 WeakPolarHBondContact CD-O 3.34Å; P892-F1040 HydrophobicContact CG-CB 4.45Å; P892-F1040 HydrophobicContact CG-CD1 3.81Å; P892-F1040 HydrophobicContact CG-CG 4.42Å; P892-F1040 WeakPolarHBondContact O-CE1 3.21Å
893S25.1Very low24.5Very low74 Ų74142.7 Ų142.752%0.51766%0.66SS.*  cis76.45616.5-50.90000117V895S893-V895 PolarHBondContact O-N 3.07Å
894A26.7Very low24.6Very low12 Ų12139.4 Ų139.410%0.09966%0.662CS.*SBendtrans-7755.2174.200000114.7L811 M1036 L1039 F1040L811-A894 VanDerWaalsContact CD1-O 3.23Å; L811-A894 WeakPolarHBondContact CD1-O 3.45Å; A894-M1036 HydrophobicContact CB-CG 4.46Å; A894-L1039 HydrophobicContact CB-CD2 3.87Å; A894-L1039 HydrophobicContact CB-CG 4.24Å; A894-F1040 HydrophobicContact CB-CD1 4.26Å; A894-F1040 HydrophobicContact CB-CD2 3.71Å; A894-F1040 HydrophobicContact CB-CE1 3.78Å; A894-F1040 HydrophobicContact CB-CE2 3.16Å; A894-F1040 HydrophobicContact CB-CG 4.23Å; A894-F1040 HydrophobicContact CB-CZ 3.21Å
895V23.4Very low24.7Very low40 Ų40137.5 Ų137.524%0.24266%0.663CS.*  trans-134.9107.5150.9-174.50000106.1E810 L811 S893E810-V895 HydrophobicContact CB-CG2 4.32Å; E810-V895 HydrophobicContact CG-CB 4.38Å; E810-V895 HydrophobicContact CG-CG1 4.24Å; E810-V895 HydrophobicContact CG-CG2 4Å; E810-V895 VanDerWaalsContact O-CG1 3.26Å; E810-V895 WeakPolarHBondContact O-CG1 3.38Å; L811-V895 HydrophobicContact CB-CG2 4.32Å; L811-V895 HydrophobicContact CD1-CG2 4.42Å; S893-V895 PolarHBondContact O-N 3.07Å
896Y24.5Very low24.8Very low79 Ų79136.9 Ų136.931%0.3165%0.653SS.*  trans170.4143.8131.9-102.3-70000113.9F864F864-Y896 VanDerWaalsContact CE2-OH 3.23Å; F864-Y896 WeakPolarHBondContact CE2-OH 3.32Å
897F24Very low24.8Very low166 Ų166130.2 Ų130.273%0.72864%0.635SS**  trans55112.4157.9-67.3-59.8000121.3
898C22.9Very low25.2Very low132 Ų132131 Ų13189%0.89264%0.638SS**  -143.1163.1103.6-160.10000110.3
899Q22.4Very low25.3Very low157 Ų157126.7 Ų126.773%0.73463%0.629SS**  trans-104.2127.3-168.8-59.1166.5-25.300112.7
900I23.2Very low25.2Very low165 Ų165130.3 Ų130.385%0.84664%0.642SS**  trans-143.4100.9146.8-85.5115.9000110.6
901K22.5Very low25.2Very low191 Ų191125.2 Ų125.283%0.8363%0.626SS**  trans12.3105.4145.4-57.5166.4-178.2169.70118.8
902R25.3Very low25.1Very low246 Ų246124 Ų12493%0.92863%0.626SS**  179.2156.999.9-94.7167.9-178.5-177.40.4113.7
903R24.5Very low24.9Very low231 Ų231129.3 Ų129.387%0.87264%0.644SS**  trans-83.1168.3172.3-88.4-175.1-179.8-174.10.3110.2
904P28Very low24.8Very low110 Ų110127 Ų12771%0.71463%0.627SS**  cis-141.6158.726.643.2-24.8000119.8
905T24.4Very low24.9Very low104 Ų104129.8 Ų129.864%0.63865%0.646SS**  trans15.2132.1146.859.70000122
906F28.1Very low25Very low153 Ų153130.3 Ų130.367%0.67165%0.65SS**  -154.4173.2106.1-99.5-56.2000112.4S1205 T1206F906-S1205 WeakPolarHBondContact CD1-OG 3.49Å; F906-T1206 HydrophobicContact CZ-CG2 4.3Å
907G25.3Very low25.5Very low41 Ų41127.4 Ų127.442%0.42364%0.642SS.*  trans-111.4174.5-161.700000116.4
908P32.7Very low26.3Very low118 Ų118124 Ų12477%0.76663%0.63SS**  trans-87.4139.5-162.933-35.8000115
909S24.7Very low27.4Very low82 Ų82121.2 Ų121.257%0.57361%0.606SS**  trans-163.7169.5157.2-101.10000114.1R1204S909-R1204 PolarHBondContact O-NE 3.37Å; S909-R1204 PolarHBondContact O-NH1 3.29Å
910R24Very low29Very low226 Ų226114.3 Ų114.385%0.85357%0.574SS**  trans-57.3117.6-166.6-54.2162.4175.4175.5-4.4115.8R1204R910-R1204 PolarHBondContact O-NH1 2.83Å; R910-R1204 VanDerWaalsContact O-NH1 3.15Å; R910-R1204 PolarHBondContact O-NH2 2.98Å
911F24.7Very low30.9Very low115 Ų115110 Ų11050%0.50455%0.55SS..  trans-143.8150.9139.5-92-61.8000112.4Q1131 R1204F911-Q1131 HydrophobicContact CD2-CG 4.01Å; F911-Q1131 HydrophobicContact CE2-CG 3.18Å; F911-Q1131 HydrophobicContact CZ-CG 3.81Å; F911-R1204 VanDerWaalsContact CD2-CZ 3.47Å; F911-R1204 VanDerWaalsContact CE2-NH2 3.32Å; F911-R1204 VanDerWaalsContact N-NH1 3.16Å
912V23.3Very low33Very low110 Ų110101 Ų10167%0.66751%0.511SS*.  trans-121.9160.5172.3174.90000105.4
913F22.6Very low35.4Very low164 Ų16491.3 Ų91.372%0.71948%0.479SS*.  trans72.6143.3-162-54.7-85.5000111.9
914C23.6Very low37.9Very low24 Ų2483 Ų8316%0.16245%0.451CS..  cis-145.8137.8-4.7160.20000109.5T916 E1083 R1086C914-T916 PolarHBondContact SG-OG1 2.95Å; C914-E1083 HydrophobicContact CB-CG 3.7Å; C914-E1083 WeakPolarHBondContact CB-OE1 3.45Å; C914-R1086 PolarHBondContact SG-NE 2.8Å; C914-R1086 PolarHBondContact SG-NH2 2.82Å
915S28.1Very low40.5Very low71 Ų7177.7 Ų77.750%0.49742%0.417SS..  trans-135.530.717761.20000115.2A917S915-A917 PolarHBondContact O-N 3.05Å
916T26.9Very low43.4Very low52 Ų5273.2 Ų73.232%0.31939%0.389SS..  trans-66.590.4143.731.60000106.6L694 C914 I1082 R1086L694-T916 HydrophobicContact CD1-CG2 3.96Å; L694-T916 HydrophobicContact CD2-CG2 3.44Å; L694-T916 VanDerWaalsContact CD2-CG2 3.44Å; L694-T916 HydrophobicContact CG-CG2 4.17Å; C914-T916 PolarHBondContact SG-OG1 2.95Å; T916-I1082 WeakPolarHBondContact O-CG2 3.37Å; T916-R1086 PolarHBondContact OG1-NE 3.44Å; T916-R1086 PolarHBondContact OG1-NH2 3.27Å
917A34.1Very low46Very low18 Ų1867.2 Ų67.215%0.14937%0.366CS..SBendtrans-149140.6169.500000107.5S915 N919 D1079 I1082S915-A917 PolarHBondContact O-N 3.05Å; A917-N919 PolarHBondContact O-N 3.43Å; A917-D1079 VanDerWaalsContact CB-OD1 3.24Å; A917-D1079 WeakPolarHBondContact CB-OD1 3.35Å; A917-I1082 HydrophobicContact CB-CD1 4Å
918M40.1Very low48.9Very low95 Ų9565.2 Ų65.247%0.46835%0.346SS..  trans-68.693.5-162-63.6-178-179.500112.9V920 L1075M918-V920 HydrophobicContact CB-CG2 4.49Å; M918-V920 PolarHBondContact O-N 3.09Å; M918-L1075 HydrophobicContact CB-CD1 3.72Å; M918-L1075 WeakPolarHBondContact O-CD1 2.96Å
919N47.8Very low51.6Low73 Ų7359.8 Ų59.839%0.3931%0.31SS..  trans-77.169173.1-104.8-85.6000110.9A917 K921 R1072A917-N919 PolarHBondContact O-N 3.43Å; N919-K921 PolarHBondContact O-N 3.15Å; N919-R1072 WeakPolarHBondContact OD1-CD 3.38Å
920V54.7Low54.7Low11 Ų1156.1 Ų56.17%0.06728%0.284CS..EExtended strand (participates in β ladder)trans-55.5127.6173.3172.40000109.4M918 I925 I1017 Y1019 R1072 L1073M918-V920 HydrophobicContact CB-CG2 4.49Å; M918-V920 PolarHBondContact O-N 3.09Å; V920-I925 HydrophobicContact CG1-CD1 4.47Å; V920-I925 HydrophobicContact CG1-CG1 4.47Å; V920-I1017 HydrophobicContact CB-CD1 4.3Å; V920-I1017 HydrophobicContact CG1-CD1 3.52Å; V920-I1017 HydrophobicContact CG2-CD1 3.77Å; V920-I1017 HydrophobicContact CG2-CG1 4.42Å; V920-Y1019 HydrophobicContact CB-CD2 4Å; V920-Y1019 HydrophobicContact CG1-CD2 4.17Å; V920-Y1019 HydrophobicContact CG1-CG 4.45Å; V920-Y1019 HydrophobicContact CG2-CD2 3.96Å; V920-R1072 WeakPolarHBondContact O-CA 3.19Å; V920-L1073 PolarHBondContact O-N 3.04Å
921K63.2Low57.9Low76 Ų7645.3 Ų45.333%0.3324%0.243SC..EExtended strand (participates in β ladder)trans-79.6140.8169.6-56176.1-11865.70107.7N919 T923 D924N919-K921 PolarHBondContact O-N 3.15Å; K921-T923 VanDerWaalsContact CB-OG1 3.3Å; K921-T923 WeakPolarHBondContact CB-OG1 3.15Å; K921-T923 PolarHBondContact O-N 3.39Å; K921-T923 VanDerWaalsContact O-N 3.11Å; K921-D924 VanDerWaalsContact CB-OD2 3.32Å; K921-D924 WeakPolarHBondContact CB-OD2 3.19Å; K921-D924 PolarHBondContact N-OD2 2.89Å; K921-D924 IonicContact NZ-OD1 2.72Å; K921-D924 PolarHBondContact NZ-OD1 3.36Å; K921-D924 IonicContact NZ-OD2 2.72Å; K921-D924 PolarHBondContact NZ-OD2 3.17Å; K921-D924 WeakPolarHBondContact O-CB 3.26Å; K921-D924 PolarHBondContact O-N 3.01Å
922A67.2Low60.9Low2 Ų240.6 Ų40.62%0.01722%0.222CC..Hα-helixtrans-52.2-39.1175.300000111.3D924 I925 L926 M1071 L1073A922-D924 PolarHBondContact O-N 2.86Å; A922-D924 VanDerWaalsContact O-N 3.07Å; A922-I925 PolarHBondContact O-N 2.91Å; A922-L926 WeakPolarHBondContact O-CB 3.28Å; A922-L926 PolarHBondContact O-N 3.34Å; A922-M1071 HydrophobicContact CB-CB 4.02Å; A922-M1071 HydrophobicContact CB-CG 3.9Å; A922-M1071 HydrophobicContact CB-SD 3.67Å; A922-M1071 PolarHBondContact N-O 2.75Å; A922-L1073 HydrophobicContact CB-CD1 4.23Å; A922-L1073 HydrophobicContact CB-CD2 4.47Å; A922-L1073 HydrophobicContact CB-CG 4.09Å
923T76.3Confident63.9Low42 Ų4235.5 Ų35.526%0.25819%0.191SC..Hα-helixtrans-54.7-23175.555.70000115.8K921 F951K921-T923 VanDerWaalsContact CB-OG1 3.3Å; K921-T923 WeakPolarHBondContact CB-OG1 3.15Å; K921-T923 PolarHBondContact O-N 3.39Å; K921-T923 VanDerWaalsContact O-N 3.11Å; T923-F951 HydrophobicContact CG2-CZ 4.19Å
924D75.2Confident66.4Low55 Ų5530 Ų3029%0.29417%0.171SC..Hα-helixtrans-76.3-31.2-174.4-54.6-22000109.9K921 A922 R1013K921-D924 VanDerWaalsContact CB-OD2 3.32Å; K921-D924 WeakPolarHBondContact CB-OD2 3.19Å; K921-D924 PolarHBondContact N-OD2 2.89Å; K921-D924 IonicContact NZ-OD1 2.72Å; K921-D924 PolarHBondContact NZ-OD1 3.36Å; K921-D924 IonicContact NZ-OD2 2.72Å; K921-D924 PolarHBondContact NZ-OD2 3.17Å; K921-D924 WeakPolarHBondContact O-CB 3.26Å; K921-D924 PolarHBondContact O-N 3.01Å; A922-D924 PolarHBondContact O-N 2.86Å; A922-D924 VanDerWaalsContact O-N 3.07Å; D924-R1013 WeakPolarHBondContact O-CD 3.07Å; D924-R1013 PolarHBondContact O-NH1 3.32Å
925I83.8Confident68.9Low0 Ų033.7 Ų33.70%019%0.19CC..Hα-helixtrans-115.2-20.2-178.455.1168.7000115.2V920 A922 F1009 S1010 R1013 A1014 I1017 Y1019 L1021 L1073V920-I925 HydrophobicContact CG1-CD1 4.47Å; V920-I925 HydrophobicContact CG1-CG1 4.47Å; A922-I925 PolarHBondContact O-N 2.91Å; I925-F1009 HydrophobicContact CD1-CD1 3.92Å; I925-F1009 HydrophobicContact CD1-CE1 4.38Å; I925-F1009 HydrophobicContact CG1-CD1 3.9Å; I925-F1009 HydrophobicContact CG1-CE1 4.4Å; I925-F1009 WeakPolarHBondContact O-CA 3.38Å; I925-S1010 PolarHBondContact O-N 2.82Å; I925-R1013 HydrophobicContact CG2-CB 4.08Å; I925-A1014 HydrophobicContact CB-CB 4.49Å; I925-A1014 HydrophobicContact CG2-CB 4.06Å; I925-I1017 HydrophobicContact CG2-CD1 3.4Å; I925-I1017 HydrophobicContact CG2-CG1 4.07Å; I925-Y1019 HydrophobicContact CD1-CD1 3.55Å; I925-Y1019 HydrophobicContact CD1-CE1 4.05Å; I925-Y1019 HydrophobicContact CD1-CG 4.04Å; I925-L1021 HydrophobicContact CD1-CD2 3.95Å; I925-L1073 HydrophobicContact CD1-CD1 3.64Å; I925-L1073 HydrophobicContact CG1-CD1 4.19Å
926L84.8Confident71Confident10 Ų1034 Ų345%0.05218%0.18CC..EExtended strand (participates in β ladder)trans-71.9125-179.4-17574000111.6A922 A928 F929 F951 A1007 F1009 V1068A922-L926 WeakPolarHBondContact O-CB 3.28Å; A922-L926 PolarHBondContact O-N 3.34Å; L926-A928 VanDerWaalsContact CD1-O 3.28Å; L926-A928 WeakPolarHBondContact CD1-O 3.16Å; L926-F929 HydrophobicContact CD1-CB 4.24Å; L926-F929 HydrophobicContact CD2-CB 3.91Å; L926-F929 HydrophobicContact CG-CB 4.43Å; L926-F951 HydrophobicContact CD2-CD1 3.95Å; L926-F951 HydrophobicContact CD2-CE1 4.06Å; L926-A1007 HydrophobicContact CD1-CB 4Å; L926-F1009 HydrophobicContact CB-CD1 4.3Å; L926-F1009 HydrophobicContact CB-CE1 4.19Å; L926-F1009 HydrophobicContact CD1-CD1 4.06Å; L926-F1009 HydrophobicContact CD1-CE1 3.61Å; L926-F1009 HydrophobicContact CD1-CE2 4.35Å; L926-F1009 HydrophobicContact CD1-CZ 3.76Å; L926-V1068 HydrophobicContact CD2-CG1 3.54Å
927C83.9Confident72.6Confident26 Ų2632.8 Ų32.818%0.17618%0.178CC..EExtended strand (participates in β ladder)trans-92.7-38.8174.4-65.30000112.9P952 F992 T1008 S1010C927-P952 WeakPolarHBondContact O-CD 3.41Å; C927-F992 HydrophobicContact CB-CE1 4.5Å; C927-T1008 WeakPolarHBondContact CA-O 3.47Å; C927-T1008 HydrophobicContact CB-CG2 4.32Å; C927-T1008 WeakPolarHBondContact CB-O 3.48Å; C927-T1008 PolarHBondContact N-O 3.17Å; C927-S1010 VanDerWaalsContact SG-CB 3.52Å; C927-S1010 PolarHBondContact SG-N 3.35Å; C927-S1010 VanDerWaalsContact SG-N 3.38Å
928A86Confident73.6Confident0 Ų043.3 Ų43.30%022%0.215CC..EExtended strand (participates in β ladder)trans-151.2145.2-178.900000110.5L926 F930 F951 A1007 T1008L926-A928 VanDerWaalsContact CD1-O 3.28Å; L926-A928 WeakPolarHBondContact CD1-O 3.16Å; A928-F930 HydrophobicContact CB-CD1 4.38Å; A928-F951 CarbonylContact C-O 3.53Å; A928-F951 VanDerWaalsContact CA-O 3.27Å; A928-F951 WeakPolarHBondContact CA-O 3.45Å; A928-A1007 CarbonylContact O-C 3.58Å; A928-A1007 WeakPolarHBondContact O-CA 3.17Å; A928-T1008 PolarHBondContact N-O 3.2Å; A928-T1008 PolarHBondContact O-N 2.96Å
929F89.1Confident74.1Confident4 Ų444.4 Ų44.42%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-143.3132.5170.2172.2-69.4000108.1L926 Y949 Y950 F951 L1005 G1006 A1007 L1030 F1064 V1068L926-F929 HydrophobicContact CD1-CB 4.24Å; L926-F929 HydrophobicContact CD2-CB 3.91Å; L926-F929 HydrophobicContact CG-CB 4.43Å; F929-Y949 AromaticContact CD1-CD1 3.88Å; F929-Y949 HydrophobicContact CD1-CD1 3.88Å; F929-Y949 AromaticContact CD1-CE1 3.62Å; F929-Y949 HydrophobicContact CD1-CE1 3.62Å; F929-Y949 AromaticContact CE1-CD1 3.94Å; F929-Y949 HydrophobicContact CE1-CD1 3.94Å; F929-Y949 AromaticContact CE1-CE1 3.79Å; F929-Y949 HydrophobicContact CE1-CE1 3.79Å; F929-Y950 CarbonylContact O-C 3.55Å; F929-Y950 WeakPolarHBondContact O-CA 3.39Å; F929-F951 HydrophobicContact CB-CB 4.32Å; F929-F951 PolarHBondContact N-O 3.06Å; F929-F951 PolarHBondContact O-N 3.23Å; F929-L1005 HydrophobicContact CE1-CD1 3.76Å; F929-L1005 HydrophobicContact CE2-CD1 4.44Å; F929-L1005 HydrophobicContact CE2-CD2 4.42Å; F929-L1005 HydrophobicContact CE2-CG 4.49Å; F929-L1005 HydrophobicContact CZ-CD1 3.68Å; F929-L1005 HydrophobicContact CZ-CD2 4.09Å; F929-L1005 HydrophobicContact CZ-CG 4.14Å; F929-G1006 CarbonylContact C-O 3.54Å; F929-G1006 VanDerWaalsContact CA-O 3.32Å; F929-G1006 WeakPolarHBondContact CA-O 3.23Å; F929-A1007 HydrophobicContact CD2-CB 4.33Å; F929-L1030 HydrophobicContact CD2-CD2 3.95Å; F929-L1030 HydrophobicContact CE2-CD2 3.5Å; F929-L1030 HydrophobicContact CZ-CD2 4.49Å; F929-F1064 HydrophobicContact CE1-CB 4.22Å; F929-F1064 AromaticContact CE1-CD1 3.67Å; F929-F1064 HydrophobicContact CE1-CD1 3.67Å; F929-F1064 HydrophobicContact CE1-CD2 4.29Å; F929-F1064 HydrophobicContact CE1-CE1 4.06Å; F929-F1064 AromaticContact CE1-CG 3.81Å; F929-F1064 HydrophobicContact CE1-CG 3.81Å; F929-F1064 AromaticContact CZ-CD1 3.58Å; F929-F1064 HydrophobicContact CZ-CD1 3.58Å; F929-F1064 AromaticContact CZ-CE1 3.7Å; F929-F1064 HydrophobicContact CZ-CE1 3.7Å; F929-F1064 HydrophobicContact CZ-CG 4.22Å; F929-F1064 HydrophobicContact CZ-CZ 4.39Å; F929-V1068 HydrophobicContact CD1-CG2 4.17Å; F929-V1068 HydrophobicContact CD2-CG2 4.2Å; F929-V1068 HydrophobicContact CE1-CG2 4.12Å; F929-V1068 HydrophobicContact CE2-CG2 4.13Å; F929-V1068 HydrophobicContact CG-CG2 4.22Å; F929-V1068 HydrophobicContact CZ-CG2 4.09Å
930F89.4Confident74.2Confident4 Ų450.8 Ų50.82%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-152.1155.6-168.350.6-89.3000113.3A928 L947 Y949 Y950 F966 A969 Y996 G1006A928-F930 HydrophobicContact CB-CD1 4.38Å; F930-L947 HydrophobicContact CB-CD1 4Å; F930-Y949 CarbonylContact C-O 3.3Å; F930-Y949 WeakPolarHBondContact CA-O 3.49Å; F930-Y949 VanDerWaalsContact CB-O 3.23Å; F930-Y949 WeakPolarHBondContact CB-O 3.21Å; F930-Y950 HydrophobicContact CB-CD2 4.22Å; F930-F966 HydrophobicContact CB-CE2 4.37Å; F930-F966 AromaticContact CD1-CD2 3.73Å; F930-F966 HydrophobicContact CD1-CD2 3.73Å; F930-F966 AromaticContact CD1-CE2 3.8Å; F930-F966 HydrophobicContact CD1-CE2 3.8Å; F930-F966 AromaticContact CD2-CE2 3.97Å; F930-F966 HydrophobicContact CD2-CE2 3.97Å; F930-F966 AromaticContact CE1-CD2 3.71Å; F930-F966 HydrophobicContact CE1-CD2 3.71Å; F930-F966 AromaticContact CE1-CE2 3.99Å; F930-F966 HydrophobicContact CE1-CE2 3.99Å; F930-F966 HydrophobicContact CE2-CE2 4.14Å; F930-F966 HydrophobicContact CG-CD2 4.22Å; F930-F966 AromaticContact CG-CE2 3.79Å; F930-F966 HydrophobicContact CG-CE2 3.79Å; F930-F966 HydrophobicContact CZ-CD2 4.17Å; F930-F966 HydrophobicContact CZ-CE2 4.15Å; F930-A969 HydrophobicContact CZ-CB 4.26Å; F930-Y996 HydrophobicContact CE2-CD1 4.22Å; F930-Y996 AromaticContact CE2-CE1 3.91Å; F930-Y996 HydrophobicContact CE2-CE1 3.91Å; F930-Y996 HydrophobicContact CZ-CD1 4.3Å; F930-Y996 AromaticContact CZ-CE1 3.73Å; F930-Y996 HydrophobicContact CZ-CE1 3.73Å; F930-G1006 PolarHBondContact N-O 3.31Å; F930-G1006 PolarHBondContact O-N 3.08Å
931V90.8Very high74.1Confident0 Ų053.2 Ų53.20%028%0.276CS..EExtended strand (participates in β ladder)trans-110.7128.1166.3-178.80000107.5F948 Y949 F1003 Y1004 L1005 I1044 L1060 F1064V931-F948 HydrophobicContact CB-CB 3.92Å; V931-F948 HydrophobicContact CG1-CB 3.77Å; V931-F948 PolarHBondContact O-N 2.79Å; V931-Y949 PolarHBondContact N-O 2.91Å; V931-Y949 PolarHBondContact O-N 3.09Å; V931-F1003 HydrophobicContact CG1-CD1 4.36Å; V931-Y1004 WeakPolarHBondContact CA-O 3.49Å; V931-L1005 HydrophobicContact CG2-CD1 3.53Å; V931-I1044 HydrophobicContact CG1-CD1 4.14Å; V931-L1060 HydrophobicContact CG2-CD2 4.46Å; V931-F1064 HydrophobicContact CG2-CE2 4.12Å
932Y87.2Confident74.2Confident15 Ų1552.6 Ų52.66%0.05928%0.275CS..EExtended strand (participates in β ladder)trans-133.5142.7-174.6180-95.8000110.9P934 K946 F973 Y1004Y932-P934 HydrophobicContact CE1-CB 3.96Å; Y932-K946 CarbonylContact C-O 3.59Å; Y932-K946 WeakPolarHBondContact CA-O 3.41Å; Y932-K946 HydrophobicContact CD2-CB 4.03Å; Y932-K946 HydrophobicContact CE2-CB 3.53Å; Y932-K946 HydrophobicContact CE2-CD 4.17Å; Y932-K946 HydrophobicContact CE2-CG 4.47Å; Y932-F973 HydrophobicContact CD1-CD1 4.41Å; Y932-F973 AromaticContact CD1-CE1 3.87Å; Y932-F973 HydrophobicContact CD1-CE1 3.87Å; Y932-F973 HydrophobicContact CD1-CZ 4.29Å; Y932-F973 HydrophobicContact CE1-CD1 4.06Å; Y932-F973 AromaticContact CE1-CE1 3.66Å; Y932-F973 HydrophobicContact CE1-CE1 3.66Å; Y932-F973 HydrophobicContact CE1-CZ 4.5Å; Y932-Y1004 PolarHBondContact N-O 2.96Å; Y932-Y1004 PolarHBondContact O-N 2.97Å
933N86.4Confident74.2Confident4 Ų456.1 Ų56.12%0.02129%0.291CS..  trans-137.9119.2170.5-176.9-39.1000109.2D935 Y936 K946 F948 N1002 F1003N933-D935 VanDerWaalsContact C-N 3.29Å; N933-D935 PolarHBondContact O-N 3.49Å; N933-D935 WeakPolarHBondContact OD1-CB 3.32Å; N933-D935 PolarHBondContact OD1-N 2.99Å; N933-Y936 HydrophobicContact CB-CD2 4.13Å; N933-K946 PolarHBondContact N-O 2.61Å; N933-K946 VanDerWaalsContact O-CA 3.28Å; N933-K946 WeakPolarHBondContact O-CA 3.27Å; N933-K946 WeakPolarHBondContact O-CB 3.26Å; N933-F948 HydrophobicContact CB-CD2 4.24Å; N933-F948 HydrophobicContact CB-CE2 3.86Å; N933-N1002 VanDerWaalsContact CA-O 3.27Å; N933-N1002 WeakPolarHBondContact CA-O 3.39Å; N933-N1002 WeakPolarHBondContact CB-O 3.18Å; N933-N1002 PolarHBondContact ND2-O 3.43Å; N933-N1002 PolarHBondContact OD1-O 3.1Å; N933-F1003 HydrophobicContact CB-CD1 3.81Å; N933-F1003 HydrophobicContact CB-CE1 3.74Å; N933-F1003 HydrophobicContact CB-CG 4.41Å; N933-F1003 HydrophobicContact CB-CZ 4.3Å; N933-F1003 WeakPolarHBondContact ND2-CD2 3.35Å; N933-F1003 WeakPolarHBondContact ND2-CE2 3.22Å; N933-F1003 VanDerWaalsContact ND2-CZ 3.27Å; N933-F1003 WeakPolarHBondContact ND2-CZ 3.26Å
934P76.6Confident73.7Confident47 Ų4759.7 Ų59.731%0.30530%0.304SS..THydrogen-bonded Turntrans-68.9-22.6-174.228.4-34.4000114.2Y932 N1002 Y1004Y932-P934 HydrophobicContact CE1-CB 3.96Å; P934-N1002 WeakPolarHBondContact CD-O 3.08Å; P934-Y1004 HydrophobicContact CG-CE2 4.47Å
935D76.1Confident73.5Confident103 Ų10360.7 Ų60.755%0.55131%0.307SS*.THydrogen-bonded Turntrans-81.8-16.1-174.1-60.9-5.8000113N933 G937 N1002N933-D935 VanDerWaalsContact C-N 3.29Å; N933-D935 PolarHBondContact O-N 3.49Å; N933-D935 WeakPolarHBondContact OD1-CB 3.32Å; N933-D935 PolarHBondContact OD1-N 2.99Å; D935-G937 PolarHBondContact O-N 3.19Å; D935-N1002 PolarHBondContact OD2-ND2 3.45Å
936Y71.3Confident73.4Confident76 Ų7662.5 Ų62.530%0.29832%0.315SS..SBendtrans-83.681.1-178.9-85.8-102.6000110.6N933 Q945 K946 F948 F1003 V1048 L1053N933-Y936 HydrophobicContact CB-CD2 4.13Å; Y936-Q945 WeakPolarHBondContact CB-O 3.45Å; Y936-Q945 CarbonylContact O-C 3.09Å; Y936-Q945 WeakPolarHBondContact O-CB 3.42Å; Y936-K946 WeakPolarHBondContact O-CA 3.14Å; Y936-K946 WeakPolarHBondContact O-CG 3.21Å; Y936-K946 PolarHBondContact O-N 2.85Å; Y936-F948 HydrophobicContact CD1-CE2 4.09Å; Y936-F948 AromaticContact CD1-CZ 3.64Å; Y936-F948 HydrophobicContact CD1-CZ 3.64Å; Y936-F948 HydrophobicContact CD2-CE2 4Å; Y936-F948 AromaticContact CD2-CZ 3.84Å; Y936-F948 HydrophobicContact CD2-CZ 3.84Å; Y936-F948 AromaticContact CE1-CZ 3.89Å; Y936-F948 HydrophobicContact CE1-CZ 3.89Å; Y936-F948 HydrophobicContact CE2-CZ 4.08Å; Y936-F948 AromaticContact CG-CE2 3.69Å; Y936-F948 HydrophobicContact CG-CE2 3.69Å; Y936-F948 AromaticContact CG-CZ 3.62Å; Y936-F948 HydrophobicContact CG-CZ 3.62Å; Y936-F1003 HydrophobicContact CE2-CZ 4.11Å; Y936-V1048 HydrophobicContact CE1-CG1 4.09Å; Y936-V1048 WeakPolarHBondContact OH-CG1 3.26Å; Y936-L1053 HydrophobicContact CD1-CD1 4.29Å; Y936-L1053 HydrophobicContact CD1-CD2 4.27Å; Y936-L1053 HydrophobicContact CE1-CD1 4.32Å
937G61Low73.4Confident27 Ų2762.9 Ų62.928%0.27832%0.317SS..  trans159.7126.4173.700000109.5D935 E942D935-G937 PolarHBondContact O-N 3.19Å; G937-E942 VanDerWaalsContact CA-OE2 3.31Å; G937-E942 WeakPolarHBondContact CA-OE2 3.48Å
938R54.5Low73.7Confident240 Ų24061.9 Ų61.991%0.90631%0.31SS*.SBendtrans-92-18.5-176.7-70.2-173.1174.5-164.9-1.4113.7E942R938-E942 PolarHBondContact N-OE2 2.72Å
939L50.3Low73.9Confident118 Ų11862.1 Ų62.162%0.61831%0.311SS*.SBendtrans-127.9147.7-175-62.9174.1000111.5G941 E942L939-G941 PolarHBondContact O-N 3.01Å; L939-E942 HydrophobicContact CB-CG 4.12Å; L939-E942 WeakPolarHBondContact O-CB 3.24Å; L939-E942 PolarHBondContact O-N 3.45Å
940E51Low73.8Confident206 Ų20662.1 Ų62.196%0.96331%0.311SS*.THydrogen-bonded Turntrans-63.9114.6169-166.7164.2-140.100108.5
941G53.1Low73.5Confident62 Ų6263.1 Ų63.164%0.63932%0.315SS*.THydrogen-bonded Turntrans118.8-21.3-166.600000114.6L939 E943L939-G941 PolarHBondContact O-N 3.01Å; G941-E943 PolarHBondContact O-N 3.39Å
942E64.5Low72.9Confident64 Ų6464.6 Ų64.630%0.29933%0.325SS..  trans-79.132.9176.6-67.9179.4-164.700113.7G937 R938 L939 E944 Q945G937-E942 VanDerWaalsContact CA-OE2 3.31Å; G937-E942 WeakPolarHBondContact CA-OE2 3.48Å; R938-E942 PolarHBondContact N-OE2 2.72Å; L939-E942 HydrophobicContact CB-CG 4.12Å; L939-E942 WeakPolarHBondContact O-CB 3.24Å; L939-E942 PolarHBondContact O-N 3.45Å; E942-E944 PolarHBondContact O-N 3.04Å; E942-E944 VanDerWaalsContact O-N 3.09Å; E942-Q945 HydrophobicContact CB-CG 4.31Å; E942-Q945 WeakPolarHBondContact O-CB 3.39Å; E942-Q945 PolarHBondContact O-N 3.34Å
943E66.2Low72.1Confident75 Ų7567.7 Ų67.735%0.3534%0.338SS..Hα-helixtrans-54.9-29.3-179.9-70.7-68.5106.700113.2G941 Q945 K946 L947G941-E943 PolarHBondContact O-N 3.39Å; E943-Q945 PolarHBondContact O-N 3.49Å; E943-K946 PolarHBondContact O-N 2.64Å; E943-K946 WeakPolarHBondContact OE1-CE 3.44Å; E943-K946 IonicContact OE1-NZ 3.39Å; E943-K946 PolarHBondContact OE1-NZ 3.41Å; E943-L947 PolarHBondContact O-N 3.05Å
944E66.1Low71.1Confident117 Ų11771.4 Ų71.455%0.54736%0.362SS..Hα-helixtrans-67.1-23.1178.7-32.3-160.1157.700113.7E942 L957 K1057E942-E944 PolarHBondContact O-N 3.04Å; E942-E944 VanDerWaalsContact O-N 3.09Å; E944-L957 HydrophobicContact CB-CD2 4.01Å; E944-L957 HydrophobicContact CG-CD2 3.63Å; E944-L957 VanDerWaalsContact OE1-CD2 3.3Å; E944-L957 WeakPolarHBondContact OE1-CD2 3.36Å; E944-K1057 PolarHBondContact O-NZ 3.05Å
945Q71.9Confident70.7Confident77 Ų7770.5 Ų70.536%0.3635%0.354SS..Hα-helixtrans-80.3-34.5177.6-58.8-57.1-16.900110.9Y936 E942 E943 L947 F948Y936-Q945 WeakPolarHBondContact CB-O 3.45Å; Y936-Q945 CarbonylContact O-C 3.09Å; Y936-Q945 WeakPolarHBondContact O-CB 3.42Å; E942-Q945 HydrophobicContact CB-CG 4.31Å; E942-Q945 WeakPolarHBondContact O-CB 3.39Å; E942-Q945 PolarHBondContact O-N 3.34Å; E943-Q945 PolarHBondContact O-N 3.49Å; Q945-L947 VanDerWaalsContact C-N 3.27Å; Q945-L947 PolarHBondContact O-N 3.49Å; Q945-F948 WeakPolarHBondContact O-CE2 3.34Å
946K81.6Confident70Confident37 Ų3769.2 Ų69.216%0.16135%0.351CS..Hα-helixtrans-68.1-26.2177.4-56.2179.2-172.7168.50112.8Y932 N933 Y936 E943Y932-K946 CarbonylContact C-O 3.59Å; Y932-K946 WeakPolarHBondContact CA-O 3.41Å; Y932-K946 HydrophobicContact CD2-CB 4.03Å; Y932-K946 HydrophobicContact CE2-CB 3.53Å; Y932-K946 HydrophobicContact CE2-CD 4.17Å; Y932-K946 HydrophobicContact CE2-CG 4.47Å; N933-K946 PolarHBondContact N-O 2.61Å; N933-K946 VanDerWaalsContact O-CA 3.28Å; N933-K946 WeakPolarHBondContact O-CA 3.27Å; N933-K946 WeakPolarHBondContact O-CB 3.26Å; Y936-K946 WeakPolarHBondContact O-CA 3.14Å; Y936-K946 WeakPolarHBondContact O-CG 3.21Å; Y936-K946 PolarHBondContact O-N 2.85Å; E943-K946 PolarHBondContact O-N 2.64Å; E943-K946 WeakPolarHBondContact OE1-CE 3.44Å; E943-K946 IonicContact OE1-NZ 3.39Å; E943-K946 PolarHBondContact OE1-NZ 3.41Å
947L85.1Confident69.6Low19 Ų1968.2 Ų68.210%0.09935%0.35CS..EExtended strand (participates in β ladder)trans-95107.8-177.4-17063.9000111.9F930 E943 Q945 Y949 Y950 L957 K960 F966 K1057F930-L947 HydrophobicContact CB-CD1 4Å; E943-L947 PolarHBondContact O-N 3.05Å; Q945-L947 VanDerWaalsContact C-N 3.27Å; Q945-L947 PolarHBondContact O-N 3.49Å; L947-Y949 WeakPolarHBondContact CD1-O 3.3Å; L947-Y950 HydrophobicContact CD1-CD2 4.36Å; L947-Y950 HydrophobicContact CD2-CD2 4.09Å; L947-L957 HydrophobicContact CD2-CD1 4.08Å; L947-K960 HydrophobicContact CD2-CD 4.35Å; L947-F966 HydrophobicContact CD1-CE2 4.35Å; L947-F966 HydrophobicContact CD1-CZ 4.12Å; L947-K1057 VanDerWaalsContact O-CE 3.27Å; L947-K1057 WeakPolarHBondContact O-CE 3.33Å; L947-K1057 PolarHBondContact O-NZ 3.13Å
948F89Confident69.6Low4 Ų471.8 Ų71.82%0.01837%0.367CS..EExtended strand (participates in β ladder)trans-92.1-27.2-175.4-83.6-110.6000113.9V931 N933 Y936 Q945 F1003 I1044 V1048 L1053 T1056 L1060V931-F948 HydrophobicContact CB-CB 3.92Å; V931-F948 HydrophobicContact CG1-CB 3.77Å; V931-F948 PolarHBondContact O-N 2.79Å; N933-F948 HydrophobicContact CB-CD2 4.24Å; N933-F948 HydrophobicContact CB-CE2 3.86Å; Y936-F948 HydrophobicContact CD1-CE2 4.09Å; Y936-F948 AromaticContact CD1-CZ 3.64Å; Y936-F948 HydrophobicContact CD1-CZ 3.64Å; Y936-F948 HydrophobicContact CD2-CE2 4Å; Y936-F948 AromaticContact CD2-CZ 3.84Å; Y936-F948 HydrophobicContact CD2-CZ 3.84Å; Y936-F948 AromaticContact CE1-CZ 3.89Å; Y936-F948 HydrophobicContact CE1-CZ 3.89Å; Y936-F948 HydrophobicContact CE2-CZ 4.08Å; Y936-F948 AromaticContact CG-CE2 3.69Å; Y936-F948 HydrophobicContact CG-CE2 3.69Å; Y936-F948 AromaticContact CG-CZ 3.62Å; Y936-F948 HydrophobicContact CG-CZ 3.62Å; Q945-F948 WeakPolarHBondContact O-CE2 3.34Å; F948-F1003 AromaticContact CD1-CE1 3.84Å; F948-F1003 HydrophobicContact CD1-CE1 3.84Å; F948-F1003 HydrophobicContact CD2-CE1 4.12Å; F948-F1003 AromaticContact CE1-CE1 3.56Å; F948-F1003 HydrophobicContact CE1-CE1 3.56Å; F948-F1003 AromaticContact CE1-CZ 3.93Å; F948-F1003 HydrophobicContact CE1-CZ 3.93Å; F948-F1003 AromaticContact CE2-CE1 3.88Å; F948-F1003 HydrophobicContact CE2-CE1 3.88Å; F948-F1003 HydrophobicContact CE2-CZ 4.49Å; F948-F1003 HydrophobicContact CG-CE1 4.11Å; F948-F1003 AromaticContact CZ-CE1 3.58Å; F948-F1003 HydrophobicContact CZ-CE1 3.58Å; F948-F1003 AromaticContact CZ-CZ 3.86Å; F948-F1003 HydrophobicContact CZ-CZ 3.86Å; F948-I1044 HydrophobicContact CD1-CG2 4.46Å; F948-V1048 HydrophobicContact CE1-CG2 3.74Å; F948-V1048 HydrophobicContact CZ-CG2 4.49Å; F948-L1053 HydrophobicContact CD1-CD1 3.92Å; F948-L1053 HydrophobicContact CE1-CD1 3.18Å; F948-L1053 HydrophobicContact CE2-CD1 4.22Å; F948-L1053 HydrophobicContact CZ-CD1 3.37Å; F948-T1056 HydrophobicContact CD1-CG2 4.07Å; F948-T1056 HydrophobicContact CE1-CG2 4.22Å; F948-L1060 HydrophobicContact CB-CD1 3.92Å; F948-L1060 HydrophobicContact CD1-CD1 4.23Å
949Y90.3Very high70Confident5 Ų565.3 Ų65.32%0.0235%0.347CS..EExtended strand (participates in β ladder)trans-155149.9174.2177.2-109.4000110.1F929 F930 V931 L947 F951 E1061 F1064 N1065F929-Y949 AromaticContact CD1-CD1 3.88Å; F929-Y949 HydrophobicContact CD1-CD1 3.88Å; F929-Y949 AromaticContact CD1-CE1 3.62Å; F929-Y949 HydrophobicContact CD1-CE1 3.62Å; F929-Y949 AromaticContact CE1-CD1 3.94Å; F929-Y949 HydrophobicContact CE1-CD1 3.94Å; F929-Y949 AromaticContact CE1-CE1 3.79Å; F929-Y949 HydrophobicContact CE1-CE1 3.79Å; F930-Y949 CarbonylContact C-O 3.3Å; F930-Y949 WeakPolarHBondContact CA-O 3.49Å; F930-Y949 VanDerWaalsContact CB-O 3.23Å; F930-Y949 WeakPolarHBondContact CB-O 3.21Å; V931-Y949 PolarHBondContact N-O 2.91Å; V931-Y949 PolarHBondContact O-N 3.09Å; L947-Y949 WeakPolarHBondContact CD1-O 3.3Å; Y949-F951 HydrophobicContact CE1-CB 3.92Å; Y949-E1061 HydrophobicContact CD2-CB 4.43Å; Y949-E1061 HydrophobicContact CD2-CG 3.88Å; Y949-E1061 HydrophobicContact CE2-CB 4.43Å; Y949-E1061 HydrophobicContact CE2-CG 4.17Å; Y949-F1064 HydrophobicContact CD1-CB 3.97Å; Y949-F1064 HydrophobicContact CD1-CD2 4.01Å; Y949-F1064 HydrophobicContact CD1-CG 4.24Å; Y949-F1064 HydrophobicContact CE1-CB 3.31Å; Y949-F1064 HydrophobicContact CE1-CD2 4.24Å; Y949-F1064 HydrophobicContact CE1-CG 4.01Å; Y949-F1064 HydrophobicContact CE2-CB 4.1Å; Y949-F1064 HydrophobicContact CG-CD2 4.34Å; Y949-F1064 WeakPolarHBondContact OH-CB 3.44Å; Y949-N1065 PolarHBondContact OH-N 2.91Å; Y949-N1065 PolarHBondContact OH-OD1 3.38Å
950Y87.6Confident70.9Confident5 Ų561.5 Ų61.52%0.0233%0.326CS..EExtended strand (participates in β ladder)trans-150.3134.7173.7-170.6-78.6000111.5F929 F930 L947 P952 I955 K960 N963 F966F929-Y950 CarbonylContact O-C 3.55Å; F929-Y950 WeakPolarHBondContact O-CA 3.39Å; F930-Y950 HydrophobicContact CB-CD2 4.22Å; L947-Y950 HydrophobicContact CD1-CD2 4.36Å; L947-Y950 HydrophobicContact CD2-CD2 4.09Å; Y950-P952 WeakPolarHBondContact CD1-O 3.33Å; Y950-I955 HydrophobicContact CE1-CB 4.39Å; Y950-I955 HydrophobicContact CE1-CD1 4.27Å; Y950-K960 HydrophobicContact CD1-CD 3.63Å; Y950-K960 HydrophobicContact CD1-CG 3.88Å; Y950-K960 HydrophobicContact CD2-CB 4.36Å; Y950-K960 HydrophobicContact CD2-CD 3.91Å; Y950-K960 HydrophobicContact CD2-CG 4.28Å; Y950-K960 HydrophobicContact CE1-CB 4.27Å; Y950-K960 HydrophobicContact CE1-CD 3.95Å; Y950-K960 HydrophobicContact CE1-CG 3.64Å; Y950-K960 HydrophobicContact CE2-CB 3.84Å; Y950-K960 HydrophobicContact CE2-CD 4.17Å; Y950-K960 HydrophobicContact CE2-CG 4.02Å; Y950-K960 HydrophobicContact CG-CD 3.61Å; Y950-K960 HydrophobicContact CG-CG 4.2Å; Y950-N963 PolarHBondContact OH-ND2 3.07Å; Y950-F966 HydrophobicContact CD2-CD2 4.26Å; Y950-F966 HydrophobicContact CD2-CE2 4.16Å; Y950-F966 HydrophobicContact CE2-CB 4.23Å; Y950-F966 HydrophobicContact CE2-CD1 4.22Å; Y950-F966 AromaticContact CE2-CD2 3.62Å; Y950-F966 HydrophobicContact CE2-CD2 3.62Å; Y950-F966 HydrophobicContact CE2-CE1 4.49Å; Y950-F966 AromaticContact CE2-CE2 3.95Å; Y950-F966 HydrophobicContact CE2-CE2 3.95Å; Y950-F966 AromaticContact CE2-CG 3.76Å; Y950-F966 HydrophobicContact CE2-CG 3.76Å; Y950-F966 HydrophobicContact CE2-CZ 4.37Å
951F83.3Confident71.5Confident25 Ų2555.3 Ų55.311%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-129.5138.3172.8178-84.4000109.4T923 L926 A928 F929 Y949 V1068T923-F951 HydrophobicContact CG2-CZ 4.19Å; L926-F951 HydrophobicContact CD2-CD1 3.95Å; L926-F951 HydrophobicContact CD2-CE1 4.06Å; A928-F951 CarbonylContact C-O 3.53Å; A928-F951 VanDerWaalsContact CA-O 3.27Å; A928-F951 WeakPolarHBondContact CA-O 3.45Å; F929-F951 HydrophobicContact CB-CB 4.32Å; F929-F951 PolarHBondContact N-O 3.06Å; F929-F951 PolarHBondContact O-N 3.23Å; Y949-F951 HydrophobicContact CE1-CB 3.92Å; F951-V1068 HydrophobicContact CD1-CG1 3.79Å; F951-V1068 HydrophobicContact CD2-CG1 4.42Å; F951-V1068 HydrophobicContact CE1-CG1 3.65Å; F951-V1068 HydrophobicContact CE2-CG1 4.29Å; F951-V1068 HydrophobicContact CG-CG1 4.18Å; F951-V1068 HydrophobicContact CZ-CG1 3.92Å
952P78.4Confident71.8Confident31 Ų3159.2 Ų59.220%0.20130%0.303CS..SBendcis-67.5136.1-0.6-20.533.5000113.1C927 Y950 T954 I955C927-P952 WeakPolarHBondContact O-CD 3.41Å; Y950-P952 WeakPolarHBondContact CD1-O 3.33Å; P952-T954 PolarHBondContact O-N 3.06Å; P952-I955 HydrophobicContact CG-CD1 4.41Å
953K69.1Low71.8Confident79 Ų7957.8 Ų57.834%0.34330%0.298SS..THydrogen-bonded Turntrans-63.4-20.4177.4-81.3-158.3178.5-160.70114.3I955 E1061 N1065K953-I955 PolarHBondContact O-N 2.99Å; K953-E1061 WeakPolarHBondContact CE-OE1 3.24Å; K953-E1061 IonicContact NZ-OE1 2.75Å; K953-E1061 PolarHBondContact NZ-OE1 2.95Å; K953-E1061 IonicContact NZ-OE2 3.83Å; K953-E1061 PolarHBondContact NZ-OE2 3.29Å; K953-N1065 VanDerWaalsContact CE-ND2 3.25Å; K953-N1065 WeakPolarHBondContact CE-ND2 3.28Å; K953-N1065 WeakPolarHBondContact CE-OD1 3.5Å
954T66.6Low71.8Confident83 Ų8358.5 Ų58.551%0.50931%0.307SS..THydrogen-bonded Turntrans-76.1-3.1-172.557.70000113.8P952 N2007P952-T954 PolarHBondContact O-N 3.06Å; T954-N2007 VanDerWaalsContact CB-OD1 3.28Å; T954-N2007 WeakPolarHBondContact CB-OD1 3.35Å; T954-N2007 WeakPolarHBondContact CG2-OD1 3.18Å
955I67.3Low71.9Confident28 Ų2852.9 Ų52.914%0.14428%0.281CS..SBendtrans-92.9119.3177.9-58.2-178.2000107.7Y950 P952 K953 E959 K960Y950-I955 HydrophobicContact CE1-CB 4.39Å; Y950-I955 HydrophobicContact CE1-CD1 4.27Å; P952-I955 HydrophobicContact CG-CD1 4.41Å; K953-I955 PolarHBondContact O-N 2.99Å; I955-E959 HydrophobicContact CG2-CB 3.75Å; I955-E959 HydrophobicContact CG2-CG 3.96Å; I955-K960 HydrophobicContact CB-CG 4.12Å; I955-K960 HydrophobicContact CG2-CB 4.41Å; I955-K960 HydrophobicContact CG2-CG 3.8Å; I955-K960 WeakPolarHBondContact O-CE 3.39Å; I955-K960 WeakPolarHBondContact O-CG 3.36Å
956P62.9Low71.9Confident75 Ų7549.9 Ų49.949%0.48727%0.266SS..  trans-57.7150.6174.9-25.134.9000112.1T958 E959 K960P956-T958 VanDerWaalsContact C-N 3.32Å; P956-T958 PolarHBondContact O-N 2.88Å; P956-E959 HydrophobicContact CB-CB 4.42Å; P956-E959 WeakPolarHBondContact CD-OE2 3.44Å; P956-E959 CarbonylContact O-C 3.52Å; P956-E959 WeakPolarHBondContact O-CA 3.46Å; P956-E959 WeakPolarHBondContact O-CB 3.37Å; P956-E959 PolarHBondContact O-N 2.91Å; P956-K960 WeakPolarHBondContact O-CG 3.16Å; P956-K960 PolarHBondContact O-N 3.33Å
957L61Low71.3Confident55 Ų5549.9 Ų49.929%0.28827%0.271SS..Hα-helixtrans-59.4-38.2-171.5-177.456.7000114.1E944 L947 E959 K960 V961E944-L957 HydrophobicContact CB-CD2 4.01Å; E944-L957 HydrophobicContact CG-CD2 3.63Å; E944-L957 VanDerWaalsContact OE1-CD2 3.3Å; E944-L957 WeakPolarHBondContact OE1-CD2 3.36Å; L947-L957 HydrophobicContact CD2-CD1 4.08Å; L957-E959 VanDerWaalsContact C-N 3.33Å; L957-E959 PolarHBondContact O-N 2.82Å; L957-K960 HydrophobicContact CD1-CB 4.4Å; L957-K960 HydrophobicContact CD1-CD 3.88Å; L957-K960 WeakPolarHBondContact O-CB 3.47Å; L957-K960 PolarHBondContact O-N 3.09Å; L957-K960 VanDerWaalsContact O-N 3.17Å; L957-V961 PolarHBondContact O-N 3Å; L957-V961 VanDerWaalsContact O-N 3.15Å
958T62.5Low70.7Confident103 Ų10351.7 Ų51.763%0.63228%0.279SS*.Hα-helixtrans-56.7-45.1169.844.80000112.1P956 V961 Q962P956-T958 VanDerWaalsContact C-N 3.32Å; P956-T958 PolarHBondContact O-N 2.88Å; T958-V961 PolarHBondContact O-N 2.97Å; T958-Q962 VanDerWaalsContact O-CG 3.31Å; T958-Q962 WeakPolarHBondContact O-CG 3.5Å; T958-Q962 PolarHBondContact O-N 3.48Å; T958-Q962 VanDerWaalsContact O-N 3.14Å
959E63Low69.8Low104 Ų10451.5 Ų51.549%0.48628%0.278SS..Hα-helixtrans-74.5-23.6176.9-160.2-179.2-124.200112.5I955 P956 L957 Q962 N963I955-E959 HydrophobicContact CG2-CB 3.75Å; I955-E959 HydrophobicContact CG2-CG 3.96Å; P956-E959 HydrophobicContact CB-CB 4.42Å; P956-E959 WeakPolarHBondContact CD-OE2 3.44Å; P956-E959 CarbonylContact O-C 3.52Å; P956-E959 WeakPolarHBondContact O-CA 3.46Å; P956-E959 WeakPolarHBondContact O-CB 3.37Å; P956-E959 PolarHBondContact O-N 2.91Å; L957-E959 VanDerWaalsContact C-N 3.33Å; L957-E959 PolarHBondContact O-N 2.82Å; E959-Q962 CarbonylContact O-C 3.59Å; E959-Q962 PolarHBondContact O-N 2.65Å; E959-N963 WeakPolarHBondContact O-CB 3.35Å; E959-N963 PolarHBondContact O-N 3.37Å
960K67.5Low68.8Low38 Ų3852.4 Ų52.417%0.16528%0.284CS..Hα-helixtrans-64.6-45.6170.9-63.5178.4-169.5172.60110.4L947 Y950 I955 P956 L957 Q962 N963 F966L947-K960 HydrophobicContact CD2-CD 4.35Å; Y950-K960 HydrophobicContact CD1-CD 3.63Å; Y950-K960 HydrophobicContact CD1-CG 3.88Å; Y950-K960 HydrophobicContact CD2-CB 4.36Å; Y950-K960 HydrophobicContact CD2-CD 3.91Å; Y950-K960 HydrophobicContact CD2-CG 4.28Å; Y950-K960 HydrophobicContact CE1-CB 4.27Å; Y950-K960 HydrophobicContact CE1-CD 3.95Å; Y950-K960 HydrophobicContact CE1-CG 3.64Å; Y950-K960 HydrophobicContact CE2-CB 3.84Å; Y950-K960 HydrophobicContact CE2-CD 4.17Å; Y950-K960 HydrophobicContact CE2-CG 4.02Å; Y950-K960 HydrophobicContact CG-CD 3.61Å; Y950-K960 HydrophobicContact CG-CG 4.2Å; I955-K960 HydrophobicContact CB-CG 4.12Å; I955-K960 HydrophobicContact CG2-CB 4.41Å; I955-K960 HydrophobicContact CG2-CG 3.8Å; I955-K960 WeakPolarHBondContact O-CE 3.39Å; I955-K960 WeakPolarHBondContact O-CG 3.36Å; P956-K960 WeakPolarHBondContact O-CG 3.16Å; P956-K960 PolarHBondContact O-N 3.33Å; L957-K960 HydrophobicContact CD1-CB 4.4Å; L957-K960 HydrophobicContact CD1-CD 3.88Å; L957-K960 WeakPolarHBondContact O-CB 3.47Å; L957-K960 PolarHBondContact O-N 3.09Å; L957-K960 VanDerWaalsContact O-N 3.17Å; K960-Q962 VanDerWaalsContact C-N 3.31Å; K960-N963 WeakPolarHBondContact O-CB 3.41Å; K960-N963 PolarHBondContact O-N 3.06Å; K960-F966 WeakPolarHBondContact O-CD1 3.39Å
961V64.2Low67.9Low75 Ų7556.1 Ų56.146%0.45531%0.307SS..Hα-helixtrans-68.8-31.2177.8179.10000111.2L957 T958 S967L957-V961 PolarHBondContact O-N 3Å; L957-V961 VanDerWaalsContact O-N 3.15Å; T958-V961 PolarHBondContact O-N 2.97Å; V961-S967 PolarHBondContact O-OG 3.38Å
962Q60Low67.1Low144 Ų14457.2 Ų57.267%0.67331%0.312SS*.Hα-helixtrans-84.5-11.9174.5-66.2172.32.700114.8T958 E959 K960 V964T958-Q962 VanDerWaalsContact O-CG 3.31Å; T958-Q962 WeakPolarHBondContact O-CG 3.5Å; T958-Q962 PolarHBondContact O-N 3.48Å; T958-Q962 VanDerWaalsContact O-N 3.14Å; E959-Q962 CarbonylContact O-C 3.59Å; E959-Q962 PolarHBondContact O-N 2.65Å; K960-Q962 VanDerWaalsContact C-N 3.31Å; Q962-V964 PolarHBondContact O-N 2.99Å
963N64Low66.6Low34 Ų3456.3 Ų56.318%0.18231%0.305CS..  trans-65.1104.4176.9174.3-9000108.3Y950 E959 K960 G965 F966 S967Y950-N963 PolarHBondContact OH-ND2 3.07Å; E959-N963 WeakPolarHBondContact O-CB 3.35Å; E959-N963 PolarHBondContact O-N 3.37Å; K960-N963 WeakPolarHBondContact O-CB 3.41Å; K960-N963 PolarHBondContact O-N 3.06Å; N963-G965 PolarHBondContact O-N 3.2Å; N963-G965 PolarHBondContact OD1-N 3.06Å; N963-F966 HydrophobicContact CB-CB 4.27Å; N963-F966 CarbonylContact O-C 3.44Å; N963-F966 WeakPolarHBondContact O-CA 3.3Å; N963-F966 WeakPolarHBondContact O-CB 3.47Å; N963-F966 PolarHBondContact O-N 3.07Å; N963-S967 PolarHBondContact O-N 2.77Å; N963-S967 PolarHBondContact O-OG 3.11Å
964V67.2Low66.4Low90 Ų9056.1 Ų56.155%0.54531%0.311SS..Hα-helixtrans-47.7-35.4-173.5-173.70000113.3Q962 E968 F992Q962-V964 PolarHBondContact O-N 2.99Å; V964-E968 WeakPolarHBondContact O-CB 3.32Å; V964-E968 PolarHBondContact O-N 3.49Å; V964-F992 HydrophobicContact CB-CE2 4.29Å; V964-F992 HydrophobicContact CG1-CE2 4.16Å
965G67Low66Low0 Ų057.5 Ų57.50%032%0.315CS..Hα-helixtrans-69.8-30.7176.700000114.1N963 A969 H994 T1008N963-G965 PolarHBondContact O-N 3.2Å; N963-G965 PolarHBondContact OD1-N 3.06Å; G965-A969 WeakPolarHBondContact O-CB 3.42Å; G965-A969 PolarHBondContact O-N 2.92Å; G965-H994 PolarHBondContact O-CE1 3.31Å; G965-H994 VanDerWaalsContact O-CE1 3.24Å; G965-H994 PolarHBondContact O-ND1 3.29Å; G965-T1008 PolarHBondContact O-OG1 3.35Å
966F72.2Confident65.5Low13 Ų1359 Ų596%0.05733%0.326CS..Hα-helixtrans-84.8-37.7171.3-177.5-102.2000112.5F930 L947 Y950 K960 N963 A969 V970F930-F966 HydrophobicContact CB-CE2 4.37Å; F930-F966 AromaticContact CD1-CD2 3.73Å; F930-F966 HydrophobicContact CD1-CD2 3.73Å; F930-F966 AromaticContact CD1-CE2 3.8Å; F930-F966 HydrophobicContact CD1-CE2 3.8Å; F930-F966 AromaticContact CD2-CE2 3.97Å; F930-F966 HydrophobicContact CD2-CE2 3.97Å; F930-F966 AromaticContact CE1-CD2 3.71Å; F930-F966 HydrophobicContact CE1-CD2 3.71Å; F930-F966 AromaticContact CE1-CE2 3.99Å; F930-F966 HydrophobicContact CE1-CE2 3.99Å; F930-F966 HydrophobicContact CE2-CE2 4.14Å; F930-F966 HydrophobicContact CG-CD2 4.22Å; F930-F966 AromaticContact CG-CE2 3.79Å; F930-F966 HydrophobicContact CG-CE2 3.79Å; F930-F966 HydrophobicContact CZ-CD2 4.17Å; F930-F966 HydrophobicContact CZ-CE2 4.15Å; L947-F966 HydrophobicContact CD1-CE2 4.35Å; L947-F966 HydrophobicContact CD1-CZ 4.12Å; Y950-F966 HydrophobicContact CD2-CD2 4.26Å; Y950-F966 HydrophobicContact CD2-CE2 4.16Å; Y950-F966 HydrophobicContact CE2-CB 4.23Å; Y950-F966 HydrophobicContact CE2-CD1 4.22Å; Y950-F966 AromaticContact CE2-CD2 3.62Å; Y950-F966 HydrophobicContact CE2-CD2 3.62Å; Y950-F966 HydrophobicContact CE2-CE1 4.49Å; Y950-F966 AromaticContact CE2-CE2 3.95Å; Y950-F966 HydrophobicContact CE2-CE2 3.95Å; Y950-F966 AromaticContact CE2-CG 3.76Å; Y950-F966 HydrophobicContact CE2-CG 3.76Å; Y950-F966 HydrophobicContact CE2-CZ 4.37Å; K960-F966 WeakPolarHBondContact O-CD1 3.39Å; N963-F966 HydrophobicContact CB-CB 4.27Å; N963-F966 CarbonylContact O-C 3.44Å; N963-F966 WeakPolarHBondContact O-CA 3.3Å; N963-F966 WeakPolarHBondContact O-CB 3.47Å; N963-F966 PolarHBondContact O-N 3.07Å; F966-A969 CarbonylContact O-C 3.57Å; F966-A969 WeakPolarHBondContact O-CB 3.41Å; F966-A969 PolarHBondContact O-N 2.89Å; F966-V970 HydrophobicContact CD1-CG2 4.05Å; F966-V970 HydrophobicContact CD2-CG2 4.29Å; F966-V970 HydrophobicContact CE1-CG2 3.6Å; F966-V970 HydrophobicContact CE2-CG2 3.85Å; F966-V970 HydrophobicContact CG-CG2 4.39Å; F966-V970 HydrophobicContact CZ-CG2 3.49Å; F966-V970 VanDerWaalsContact CZ-CG2 3.49Å; F966-V970 WeakPolarHBondContact O-CG2 3.26Å; F966-V970 PolarHBondContact O-N 3.1Å
967S69.7Low64.9Low37 Ų3759.8 Ų59.826%0.25932%0.321SS..Hα-helixtrans-63.8-47.2175.5-31.40000111.1V961 N963 A969 V970 V971V961-S967 PolarHBondContact O-OG 3.38Å; N963-S967 PolarHBondContact O-N 2.77Å; N963-S967 PolarHBondContact O-OG 3.11Å; S967-A969 VanDerWaalsContact C-N 3.26Å; S967-A969 PolarHBondContact O-N 3.3Å; S967-V970 PolarHBondContact O-N 3.12Å; S967-V971 WeakPolarHBondContact O-CB 3.38Å; S967-V971 WeakPolarHBondContact O-CG2 3.5Å; S967-V971 PolarHBondContact O-N 3.4Å
968E70.9Confident64.1Low57 Ų5762.3 Ų62.327%0.26634%0.339SS..Hα-helixtrans-61.7-36.9173.9-176.2173.5-160.300111.1V964 K972 S989 H994V964-E968 WeakPolarHBondContact O-CB 3.32Å; V964-E968 PolarHBondContact O-N 3.49Å; E968-K972 VanDerWaalsContact CD-NZ 3.28Å; E968-K972 HydrophobicContact CG-CD 4.14Å; E968-K972 WeakPolarHBondContact O-CB 3.33Å; E968-K972 VanDerWaalsContact O-CG 3.27Å; E968-K972 WeakPolarHBondContact O-CG 3.38Å; E968-K972 PolarHBondContact O-N 2.98Å; E968-K972 VanDerWaalsContact OE1-CE 3.23Å; E968-K972 WeakPolarHBondContact OE1-CE 3.32Å; E968-K972 IonicContact OE1-NZ 3.11Å; E968-K972 PolarHBondContact OE1-NZ 2.94Å; E968-S989 VanDerWaalsContact CD-CB 3.4Å; E968-S989 WeakPolarHBondContact OE1-CB 3.37Å; E968-S989 PolarHBondContact OE1-OG 3.34Å; E968-S989 WeakPolarHBondContact OE2-CB 3.48Å; E968-S989 PolarHBondContact OE2-OG 3.36Å; E968-H994 IonicContact OE2-CE1 3.2Å; E968-H994 IonicContact OE2-NE2 2.77Å; E968-H994 PolarHBondContact OE2-NE2 2.84Å
969A71.3Confident62.9Low0 Ų062.7 Ų62.70%035%0.346CS..Hα-helixtrans-62.8-54.8173.300000112.1F930 G965 F966 S967 V971 K972 F973 Y996F930-A969 HydrophobicContact CZ-CB 4.26Å; G965-A969 WeakPolarHBondContact O-CB 3.42Å; G965-A969 PolarHBondContact O-N 2.92Å; F966-A969 CarbonylContact O-C 3.57Å; F966-A969 WeakPolarHBondContact O-CB 3.41Å; F966-A969 PolarHBondContact O-N 2.89Å; S967-A969 VanDerWaalsContact C-N 3.26Å; S967-A969 PolarHBondContact O-N 3.3Å; A969-V971 PolarHBondContact O-N 3.14Å; A969-K972 PolarHBondContact O-N 3.4Å; A969-F973 VanDerWaalsContact O-CB 3.25Å; A969-F973 WeakPolarHBondContact O-CB 3.32Å; A969-F973 PolarHBondContact O-N 2.88Å; A969-Y996 WeakPolarHBondContact CA-OH 3.11Å; A969-Y996 WeakPolarHBondContact CB-OH 3.45Å; A969-Y996 PolarHBondContact O-OH 3.25Å
970V68.8Low62.2Low25 Ų2564.3 Ų64.315%0.15236%0.358CS..Hα-helixtrans-62.4-44.6-177.1172.20000111F966 S967 K972 F973 T974F966-V970 HydrophobicContact CD1-CG2 4.05Å; F966-V970 HydrophobicContact CD2-CG2 4.29Å; F966-V970 HydrophobicContact CE1-CG2 3.6Å; F966-V970 HydrophobicContact CE2-CG2 3.85Å; F966-V970 HydrophobicContact CG-CG2 4.39Å; F966-V970 HydrophobicContact CZ-CG2 3.49Å; F966-V970 VanDerWaalsContact CZ-CG2 3.49Å; F966-V970 WeakPolarHBondContact O-CG2 3.26Å; F966-V970 PolarHBondContact O-N 3.1Å; S967-V970 PolarHBondContact O-N 3.12Å; V970-K972 PolarHBondContact O-N 3.27Å; V970-F973 WeakPolarHBondContact O-CB 3.49Å; V970-F973 PolarHBondContact O-N 3.14Å; V970-T974 HydrophobicContact CG1-CG2 4.46Å; V970-T974 PolarHBondContact O-N 2.74Å; V970-T974 PolarHBondContact O-OG1 3.13Å; V970-T974 VanDerWaalsContact O-OG1 3.14Å
971V68.8Low61.4Low82 Ų8274.1 Ų74.150%0.49739%0.394SS..Hα-helixtrans-62.7-42.6178.3171.90000111.8S967 A969 T974 N975S967-V971 WeakPolarHBondContact O-CB 3.38Å; S967-V971 WeakPolarHBondContact O-CG2 3.5Å; S967-V971 PolarHBondContact O-N 3.4Å; A969-V971 PolarHBondContact O-N 3.14Å; V971-T974 PolarHBondContact O-OG1 2.7Å; V971-T974 VanDerWaalsContact O-OG1 3.12Å; V971-N975 VanDerWaalsContact O-CB 3.27Å; V971-N975 WeakPolarHBondContact O-CB 3.49Å; V971-N975 PolarHBondContact O-N 3.23Å; V971-N975 VanDerWaalsContact O-N 3.1Å; V971-N975 PolarHBondContact O-ND2 2.81Å; V971-N975 PolarHBondContact O-OD1 2.91Å
972K66.9Low61.1Low49 Ų4974.4 Ų74.421%0.21339%0.393CS..Hα-helixtrans-65.3-41.3173.7-74.3177.6-173.3167.20111.5E968 A969 V970 N975 T976 S987 L988E968-K972 VanDerWaalsContact CD-NZ 3.28Å; E968-K972 HydrophobicContact CG-CD 4.14Å; E968-K972 WeakPolarHBondContact O-CB 3.33Å; E968-K972 VanDerWaalsContact O-CG 3.27Å; E968-K972 WeakPolarHBondContact O-CG 3.38Å; E968-K972 PolarHBondContact O-N 2.98Å; E968-K972 VanDerWaalsContact OE1-CE 3.23Å; E968-K972 WeakPolarHBondContact OE1-CE 3.32Å; E968-K972 IonicContact OE1-NZ 3.11Å; E968-K972 PolarHBondContact OE1-NZ 2.94Å; A969-K972 PolarHBondContact O-N 3.4Å; V970-K972 PolarHBondContact O-N 3.27Å; K972-N975 PolarHBondContact O-N 3.13Å; K972-T976 WeakPolarHBondContact O-CB 3.23Å; K972-T976 PolarHBondContact O-N 3.02Å; K972-T976 PolarHBondContact O-OG1 3.44Å; K972-S987 VanDerWaalsContact CD-OG 3.32Å; K972-S987 WeakPolarHBondContact CD-OG 3.3Å; K972-L988 PolarHBondContact NZ-O 2.84Å
973F67.8Low61.5Low12 Ų1271.7 Ų71.75%0.05338%0.383CS..Hα-helixtrans-60.5-52.6179.2-174.8-89.6000111.3Y932 A969 V970 N975 T976 F977 Y996 Y1004Y932-F973 HydrophobicContact CD1-CD1 4.41Å; Y932-F973 AromaticContact CD1-CE1 3.87Å; Y932-F973 HydrophobicContact CD1-CE1 3.87Å; Y932-F973 HydrophobicContact CD1-CZ 4.29Å; Y932-F973 HydrophobicContact CE1-CD1 4.06Å; Y932-F973 AromaticContact CE1-CE1 3.66Å; Y932-F973 HydrophobicContact CE1-CE1 3.66Å; Y932-F973 HydrophobicContact CE1-CZ 4.5Å; A969-F973 VanDerWaalsContact O-CB 3.25Å; A969-F973 WeakPolarHBondContact O-CB 3.32Å; A969-F973 PolarHBondContact O-N 2.88Å; V970-F973 WeakPolarHBondContact O-CB 3.49Å; V970-F973 PolarHBondContact O-N 3.14Å; F973-N975 VanDerWaalsContact C-N 3.28Å; F973-N975 PolarHBondContact O-N 3.23Å; F973-T976 PolarHBondContact O-N 3.09Å; F973-F977 HydrophobicContact CD1-CD2 4.25Å; F973-F977 HydrophobicContact CD1-CE2 4.33Å; F973-F977 HydrophobicContact CD2-CE2 4.2Å; F973-F977 AromaticContact CE1-CD2 3.91Å; F973-F977 HydrophobicContact CE1-CD2 3.91Å; F973-F977 AromaticContact CE1-CE2 3.73Å; F973-F977 HydrophobicContact CE1-CE2 3.73Å; F973-F977 HydrophobicContact CE2-CD2 4.41Å; F973-F977 AromaticContact CE2-CE2 3.6Å; F973-F977 HydrophobicContact CE2-CE2 3.6Å; F973-F977 HydrophobicContact CE2-CZ 4.42Å; F973-F977 AromaticContact CZ-CD2 4Å; F973-F977 HydrophobicContact CZ-CD2 4Å; F973-F977 AromaticContact CZ-CE2 3.32Å; F973-F977 HydrophobicContact CZ-CE2 3.32Å; F973-F977 HydrophobicContact CZ-CZ 4.02Å; F973-F977 WeakPolarHBondContact O-CD2 3.3Å; F973-F977 PolarHBondContact O-N 3.18Å; F973-Y996 HydrophobicContact CB-CE1 4.04Å; F973-Y996 AromaticContact CD2-CD1 3.46Å; F973-Y996 HydrophobicContact CD2-CD1 3.46Å; F973-Y996 VanDerWaalsContact CD2-CD1 3.46Å; F973-Y996 HydrophobicContact CD2-CD2 4.38Å; F973-Y996 AromaticContact CD2-CE1 3.49Å; F973-Y996 HydrophobicContact CD2-CE1 3.49Å; F973-Y996 VanDerWaalsContact CD2-CE1 3.49Å; F973-Y996 HydrophobicContact CD2-CE2 4.46Å; F973-Y996 AromaticContact CD2-CG 3.93Å; F973-Y996 HydrophobicContact CD2-CG 3.93Å; F973-Y996 AromaticContact CE2-CD1 3.85Å; F973-Y996 HydrophobicContact CE2-CD1 3.85Å; F973-Y996 HydrophobicContact CE2-CE1 4.31Å; F973-Y996 HydrophobicContact CE2-CG 4.25Å; F973-Y996 HydrophobicContact CG-CD1 4.44Å; F973-Y996 HydrophobicContact CG-CE1 4.08Å; F973-Y1004 HydrophobicContact CE1-CD2 4.47Å; F973-Y1004 AromaticContact CE2-CD1 3.97Å; F973-Y1004 HydrophobicContact CE2-CD1 3.97Å; F973-Y1004 HydrophobicContact CE2-CD2 4.35Å; F973-Y1004 AromaticContact CE2-CG 3.89Å; F973-Y1004 HydrophobicContact CE2-CG 3.89Å; F973-Y1004 AromaticContact CZ-CD1 3.93Å; F973-Y1004 HydrophobicContact CZ-CD1 3.93Å; F973-Y1004 AromaticContact CZ-CD2 3.57Å; F973-Y1004 HydrophobicContact CZ-CD2 3.57Å; F973-Y1004 HydrophobicContact CZ-CE1 4.27Å; F973-Y1004 AromaticContact CZ-CE2 3.92Å; F973-Y1004 HydrophobicContact CZ-CE2 3.92Å; F973-Y1004 AromaticContact CZ-CG 3.58Å; F973-Y1004 HydrophobicContact CZ-CG 3.58Å
974T64.1Low62Low75 Ų7570.8 Ų70.846%0.4638%0.379SS..Hα-helixtrans-60.9-37.1177.151.60000112.4V970 V971 T976V970-T974 HydrophobicContact CG1-CG2 4.46Å; V970-T974 PolarHBondContact O-N 2.74Å; V970-T974 PolarHBondContact O-OG1 3.13Å; V970-T974 VanDerWaalsContact O-OG1 3.14Å; V971-T974 PolarHBondContact O-OG1 2.7Å; V971-T974 VanDerWaalsContact O-OG1 3.12Å; T974-T976 VanDerWaalsContact C-N 3.29Å; T974-T976 PolarHBondContact O-N 3.03Å
975N59.7Low62.5Low111 Ų11168 Ų6859%0.59436%0.359SS*.Hα-helixtrans-74.6-14.3177.4-66.9-5.3000113.9V971 K972 F973 T978V971-N975 VanDerWaalsContact O-CB 3.27Å; V971-N975 WeakPolarHBondContact O-CB 3.49Å; V971-N975 PolarHBondContact O-N 3.23Å; V971-N975 VanDerWaalsContact O-N 3.1Å; V971-N975 PolarHBondContact O-ND2 2.81Å; V971-N975 PolarHBondContact O-OD1 2.91Å; K972-N975 PolarHBondContact O-N 3.13Å; F973-N975 VanDerWaalsContact C-N 3.28Å; F973-N975 PolarHBondContact O-N 3.23Å; N975-T978 PolarHBondContact O-OG1 2.78Å
976T56.3Low63.2Low61 Ų6170.6 Ų70.637%0.37437%0.373SS..Hα-helixtrans-94-16.8-179.4-53.80000112.5K972 F973 T974 T978 Y985K972-T976 WeakPolarHBondContact O-CB 3.23Å; K972-T976 PolarHBondContact O-N 3.02Å; K972-T976 PolarHBondContact O-OG1 3.44Å; F973-T976 PolarHBondContact O-N 3.09Å; T974-T976 VanDerWaalsContact C-N 3.29Å; T974-T976 PolarHBondContact O-N 3.03Å; T976-T978 PolarHBondContact O-N 3.1Å; T976-T978 VanDerWaalsContact O-N 3.09Å; T976-Y985 HydrophobicContact CG2-CD1 3.67Å; T976-Y985 HydrophobicContact CG2-CE1 3.82Å
977F50.2Low63.5Low90 Ų9071.4 Ų71.440%0.39538%0.38SS..  trans-72.51.7178.9-94.2-89.7000115.1F973 S979 Y985 Y1004F973-F977 HydrophobicContact CD1-CD2 4.25Å; F973-F977 HydrophobicContact CD1-CE2 4.33Å; F973-F977 HydrophobicContact CD2-CE2 4.2Å; F973-F977 AromaticContact CE1-CD2 3.91Å; F973-F977 HydrophobicContact CE1-CD2 3.91Å; F973-F977 AromaticContact CE1-CE2 3.73Å; F973-F977 HydrophobicContact CE1-CE2 3.73Å; F973-F977 HydrophobicContact CE2-CD2 4.41Å; F973-F977 AromaticContact CE2-CE2 3.6Å; F973-F977 HydrophobicContact CE2-CE2 3.6Å; F973-F977 HydrophobicContact CE2-CZ 4.42Å; F973-F977 AromaticContact CZ-CD2 4Å; F973-F977 HydrophobicContact CZ-CD2 4Å; F973-F977 AromaticContact CZ-CE2 3.32Å; F973-F977 HydrophobicContact CZ-CE2 3.32Å; F973-F977 HydrophobicContact CZ-CZ 4.02Å; F973-F977 WeakPolarHBondContact O-CD2 3.3Å; F973-F977 PolarHBondContact O-N 3.18Å; F977-S979 PolarHBondContact O-N 3.47Å; F977-Y985 HydrophobicContact CE2-CE2 4.29Å; F977-Y985 HydrophobicContact CZ-CE2 4.1Å; F977-Y1004 WeakPolarHBondContact CE1-OH 3.26Å; F977-Y1004 HydrophobicContact CE2-CE1 4.42Å; F977-Y1004 AromaticContact CZ-CE1 3.67Å; F977-Y1004 HydrophobicContact CZ-CE1 3.67Å; F977-Y1004 HydrophobicContact CZ-CE2 4.27Å; F977-Y1004 AromaticContact CZ-CZ 3.48Å; F977-Y1004 VanDerWaalsContact CZ-CZ 3.48Å; F977-Y1004 VanDerWaalsContact CZ-OH 3.28Å; F977-Y1004 WeakPolarHBondContact CZ-OH 3.36Å
978T43.5Very low63.8Low108 Ų10874.5 Ų74.566%0.66339%0.393SS*.SBendtrans-80.392.2158.6550000110.8N975 T976N975-T978 PolarHBondContact O-OG1 2.78Å; T976-T978 PolarHBondContact O-N 3.1Å; T976-T978 VanDerWaalsContact O-N 3.09Å
979S37.2Very low64Low112 Ų11272.5 Ų72.578%0.78339%0.385SS*.SBendtrans55.574157.962.50000118.5F977F977-S979 PolarHBondContact O-N 3.47Å
980D48.9Very low64.1Low138 Ų13878.7 Ų78.774%0.73842%0.423SS*.  -159.1158.5103.7-136.3-34.7000111D982 Y985D980-D982 PolarHBondContact O-N 3.47Å; D980-Y985 PolarHBondContact O-OH 3.22Å
981R50.2Low64.7Low243 Ų24384 Ų8492%0.91744%0.444SS*.  trans-93.173.2-174.9-76-168176.5-154.3-1.2112.9
982D58.2Low65.5Low82 Ų8281.4 Ų81.444%0.43943%0.427SS..  trans-83.5133.5172.4-141.99.5000111D980 V984 Y985 R1023D980-D982 PolarHBondContact O-N 3.47Å; D982-V984 PolarHBondContact O-N 2.62Å; D982-Y985 HydrophobicContact CB-CD1 4.23Å; D982-Y985 HydrophobicContact CB-CE1 3.9Å; D982-Y985 PolarHBondContact N-OH 3.46Å; D982-Y985 WeakPolarHBondContact O-CE2 3.07Å; D982-Y985 VanDerWaalsContact O-CZ 3.23Å; D982-Y985 PolarHBondContact O-OH 3.38Å; D982-R1023 IonicContact OD1-NH2 2.66Å; D982-R1023 IonicContact OD2-CZ 3.14Å; D982-R1023 IonicContact OD2-NH2 3.91Å; D982-R1023 PolarHBondContact OD2-NH2 2.97Å
983D69.6Low66.5Low87 Ų8779.8 Ų79.847%0.46542%0.419SS..SBendtrans-77.2-13.6-172-147.158.3000112.5C998 R1031D983-C998 PolarHBondContact O-N 3.31Å; D983-R1031 IonicContact OD2-CZ 2.79Å; D983-R1031 IonicContact OD2-NH1 2.9Å; D983-R1031 PolarHBondContact OD2-NH1 3.49Å; D983-R1031 IonicContact OD2-NH2 3.72Å; D983-R1031 PolarHBondContact OD2-NH2 3.09Å
984V74.5Confident67.4Low14 Ų1479.2 Ų79.29%0.08542%0.417CS..EExtended strand (participates in β ladder)trans-140.6115.5177.5-178.60000106.9D982 I995 Y996 I997 R1023 R1031D982-V984 PolarHBondContact O-N 2.62Å; V984-I995 HydrophobicContact CG1-CD1 4.06Å; V984-I995 HydrophobicContact CG1-CG1 4.09Å; V984-Y996 CarbonylContact C-O 3.59Å; V984-Y996 VanDerWaalsContact CA-O 3.29Å; V984-Y996 WeakPolarHBondContact CA-O 3.2Å; V984-I997 HydrophobicContact CB-CG2 4.36Å; V984-I997 HydrophobicContact CG1-CG2 4.07Å; V984-I997 HydrophobicContact CG2-CG2 3.96Å; V984-R1023 HydrophobicContact CG1-CG 4.15Å; V984-R1023 PolarHBondContact O-NH2 3.49Å; V984-R1031 VanDerWaalsContact CG2-NH2 3.29Å
985Y77.2Confident68.6Low32 Ų3275.7 Ų75.713%0.12540%0.395CS..EExtended strand (participates in β ladder)trans-99.4138.8171-59.6-87.9000109.4T976 F977 D980 D982 I995 Y996T976-Y985 HydrophobicContact CG2-CD1 3.67Å; T976-Y985 HydrophobicContact CG2-CE1 3.82Å; F977-Y985 HydrophobicContact CE2-CE2 4.29Å; F977-Y985 HydrophobicContact CZ-CE2 4.1Å; D980-Y985 PolarHBondContact O-OH 3.22Å; D982-Y985 HydrophobicContact CB-CD1 4.23Å; D982-Y985 HydrophobicContact CB-CE1 3.9Å; D982-Y985 PolarHBondContact N-OH 3.46Å; D982-Y985 WeakPolarHBondContact O-CE2 3.07Å; D982-Y985 VanDerWaalsContact O-CZ 3.23Å; D982-Y985 PolarHBondContact O-OH 3.38Å; Y985-I995 CarbonylContact O-C 3.55Å; Y985-I995 WeakPolarHBondContact O-CA 3.33Å; Y985-Y996 PolarHBondContact N-O 3.44Å; Y985-Y996 PolarHBondContact O-N 3.04Å
986D81.4Confident69.9Low55 Ų5570.7 Ų70.729%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-133.4151.7166.769.5-44.8000111.8Y993 H994 I995 R1023D986-Y993 HydrophobicContact CB-CE2 4.04Å; D986-Y993 VanDerWaalsContact CB-OH 3.29Å; D986-Y993 WeakPolarHBondContact CB-OH 3.49Å; D986-Y993 WeakPolarHBondContact OD2-CE2 3.29Å; D986-Y993 PolarHBondContact OD2-OH 3.11Å; D986-H994 CarbonylContact C-O 3.5Å; D986-H994 VanDerWaalsContact CA-O 3.25Å; D986-H994 WeakPolarHBondContact CA-O 3.23Å; D986-I995 HydrophobicContact CB-CB 4.24Å; D986-I995 HydrophobicContact CB-CG1 4.2Å; D986-R1023 HydrophobicContact CB-CG 4.38Å; D986-R1023 WeakPolarHBondContact OD1-CD 3.41Å; D986-R1023 IonicContact OD1-CZ 2.79Å; D986-R1023 VanDerWaalsContact OD1-CZ 3.28Å; D986-R1023 IonicContact OD1-NE 2.58Å; D986-R1023 PolarHBondContact OD1-NE 2.97Å; D986-R1023 IonicContact OD1-NH1 2.74Å; D986-R1023 PolarHBondContact OD1-NH1 3.09Å
987S78.4Confident71.4Confident30 Ų3067.8 Ų67.821%0.2135%0.35CS..EExtended strand (participates in β ladder)trans-147.8138.6176.4640000111.4K972 H994K972-S987 VanDerWaalsContact CD-OG 3.32Å; K972-S987 WeakPolarHBondContact CD-OG 3.3Å; S987-H994 PolarHBondContact N-O 2.98Å; S987-H994 PolarHBondContact O-CD2 3.32Å; S987-H994 PolarHBondContact O-N 3.45Å; S987-H994 PolarHBondContact OG-CD2 2.83Å
988L76.6Confident73.1Confident102 Ų10265 Ų6553%0.53434%0.342SS..EExtended strand (participates in β ladder)trans-93.1155.6177.7-168.762.3000110.4K972 Y993K972-L988 PolarHBondContact NZ-O 2.84Å; L988-Y993 HydrophobicContact CD1-CD2 4.04Å
989S75.6Confident75.2Confident14 Ų1460.8 Ų60.810%0.09831%0.314CS..  trans-139179.4160.691.80000111.4E968 K991 F992E968-S989 VanDerWaalsContact CD-CB 3.4Å; E968-S989 WeakPolarHBondContact OE1-CB 3.37Å; E968-S989 PolarHBondContact OE1-OG 3.34Å; E968-S989 WeakPolarHBondContact OE2-CB 3.48Å; E968-S989 PolarHBondContact OE2-OG 3.36Å; S989-K991 PolarHBondContact O-N 3.08Å; S989-K991 PolarHBondContact OG-N 3.44Å; S989-F992 PolarHBondContact N-O 3.06Å; S989-F992 PolarHBondContact OG-N 2.91Å
990T73.1Confident77.5Confident131 Ų13157 Ų5780%0.80428%0.284SS*.SBendtrans-67-16.8175.654.30000112.9
991K80.1Confident78.9Confident136 Ų13657.1 Ų57.159%0.59129%0.285SS*.SBendtrans-125.4-26.1-176-65.7173.7-175.5171.20113.6S989 R1011S989-K991 PolarHBondContact O-N 3.08Å; S989-K991 PolarHBondContact OG-N 3.44Å; K991-R1011 WeakPolarHBondContact O-CB 3.26Å; K991-R1011 PolarHBondContact O-N 3.17Å
992F86.2Confident80.3Confident28 Ų2848.6 Ų48.612%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-133.1162.3-169.6-56.6-66.5000112.9C927 V964 S989 T1008 F1009C927-F992 HydrophobicContact CB-CE1 4.5Å; V964-F992 HydrophobicContact CB-CE2 4.29Å; V964-F992 HydrophobicContact CG1-CE2 4.16Å; S989-F992 PolarHBondContact N-O 3.06Å; S989-F992 PolarHBondContact OG-N 2.91Å; F992-T1008 HydrophobicContact CB-CG2 3.91Å; F992-T1008 HydrophobicContact CD1-CG2 4.07Å; F992-T1008 HydrophobicContact CG-CG2 4.11Å; F992-F1009 CarbonylContact C-O 3.59Å; F992-F1009 VanDerWaalsContact CA-O 3.23Å; F992-F1009 WeakPolarHBondContact CA-O 3.43Å
993Y87.9Confident81.7Confident15 Ų1544.9 Ų44.96%0.05924%0.238CC..EExtended strand (participates in β ladder)trans-127.9122.8163.8176.3-102.4000107.6D986 L988 I995 T1008 F1009 L1021 R1023 L1026D986-Y993 HydrophobicContact CB-CE2 4.04Å; D986-Y993 VanDerWaalsContact CB-OH 3.29Å; D986-Y993 WeakPolarHBondContact CB-OH 3.49Å; D986-Y993 WeakPolarHBondContact OD2-CE2 3.29Å; D986-Y993 PolarHBondContact OD2-OH 3.11Å; L988-Y993 HydrophobicContact CD1-CD2 4.04Å; Y993-I995 HydrophobicContact CE1-CB 4.14Å; Y993-I995 HydrophobicContact CE1-CG2 4.37Å; Y993-T1008 CarbonylContact O-C 3.52Å; Y993-T1008 WeakPolarHBondContact O-CA 3.36Å; Y993-F1009 HydrophobicContact CD1-CD2 4.26Å; Y993-F1009 PolarHBondContact N-O 3.34Å; Y993-F1009 PolarHBondContact O-N 2.66Å; Y993-L1021 HydrophobicContact CD1-CB 4.16Å; Y993-L1021 HydrophobicContact CG-CB 4.39Å; Y993-R1023 WeakPolarHBondContact OH-CA 3.22Å; Y993-R1023 WeakPolarHBondContact OH-CB 3.1Å; Y993-L1026 HydrophobicContact CD1-CD1 4.01Å; Y993-L1026 HydrophobicContact CE1-CD1 3.65Å
994H87.4Confident82.6Confident0 Ų041.6 Ų41.60%022%0.219CC..EExtended strand (participates in β ladder)trans-109.1139.4-178.3-36.1-95000108.9G965 E968 D986 S987 Y996 A1007 T1008G965-H994 PolarHBondContact O-CE1 3.31Å; G965-H994 VanDerWaalsContact O-CE1 3.24Å; G965-H994 PolarHBondContact O-ND1 3.29Å; E968-H994 IonicContact OE2-CE1 3.2Å; E968-H994 IonicContact OE2-NE2 2.77Å; E968-H994 PolarHBondContact OE2-NE2 2.84Å; D986-H994 CarbonylContact C-O 3.5Å; D986-H994 VanDerWaalsContact CA-O 3.25Å; D986-H994 WeakPolarHBondContact CA-O 3.23Å; S987-H994 PolarHBondContact N-O 2.98Å; S987-H994 PolarHBondContact O-CD2 3.32Å; S987-H994 PolarHBondContact O-N 3.45Å; S987-H994 PolarHBondContact OG-CD2 2.83Å; H994-Y996 HydrophobicContact CB-CE2 4.12Å; H994-A1007 WeakPolarHBondContact CA-O 3.34Å; H994-T1008 VanDerWaalsContact ND1-CG2 3.34Å; H994-T1008 WeakPolarHBondContact ND1-CG2 3.07Å; H994-T1008 PolarHBondContact ND1-OG1 3.48Å
995I88.2Confident83.4Confident0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-141.9140.7176.8-175.6171000110.1V984 Y985 D986 Y993 G1006 A1007 F1009 R1023 L1026 L1030V984-I995 HydrophobicContact CG1-CD1 4.06Å; V984-I995 HydrophobicContact CG1-CG1 4.09Å; Y985-I995 CarbonylContact O-C 3.55Å; Y985-I995 WeakPolarHBondContact O-CA 3.33Å; D986-I995 HydrophobicContact CB-CB 4.24Å; D986-I995 HydrophobicContact CB-CG1 4.2Å; Y993-I995 HydrophobicContact CE1-CB 4.14Å; Y993-I995 HydrophobicContact CE1-CG2 4.37Å; I995-G1006 CarbonylContact O-C 3.58Å; I995-G1006 WeakPolarHBondContact O-CA 3.5Å; I995-A1007 HydrophobicContact CG2-CB 4.17Å; I995-A1007 PolarHBondContact N-O 3.2Å; I995-A1007 PolarHBondContact O-N 3.45Å; I995-F1009 HydrophobicContact CG2-CD2 4.47Å; I995-F1009 HydrophobicContact CG2-CE2 3.88Å; I995-R1023 HydrophobicContact CD1-CG 4.22Å; I995-L1026 HydrophobicContact CD1-CB 3.86Å; I995-L1026 HydrophobicContact CG2-CB 4.38Å; I995-L1030 HydrophobicContact CG2-CD1 4.01Å
996Y86.4Confident83.9Confident6 Ų639.4 Ų39.42%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-131.9147.1-179.3-46.3-103.8000108.9F930 A969 F973 V984 Y985 H994 L1005F930-Y996 HydrophobicContact CE2-CD1 4.22Å; F930-Y996 AromaticContact CE2-CE1 3.91Å; F930-Y996 HydrophobicContact CE2-CE1 3.91Å; F930-Y996 HydrophobicContact CZ-CD1 4.3Å; F930-Y996 AromaticContact CZ-CE1 3.73Å; F930-Y996 HydrophobicContact CZ-CE1 3.73Å; A969-Y996 WeakPolarHBondContact CA-OH 3.11Å; A969-Y996 WeakPolarHBondContact CB-OH 3.45Å; A969-Y996 PolarHBondContact O-OH 3.25Å; F973-Y996 HydrophobicContact CB-CE1 4.04Å; F973-Y996 AromaticContact CD2-CD1 3.46Å; F973-Y996 HydrophobicContact CD2-CD1 3.46Å; F973-Y996 VanDerWaalsContact CD2-CD1 3.46Å; F973-Y996 HydrophobicContact CD2-CD2 4.38Å; F973-Y996 AromaticContact CD2-CE1 3.49Å; F973-Y996 HydrophobicContact CD2-CE1 3.49Å; F973-Y996 VanDerWaalsContact CD2-CE1 3.49Å; F973-Y996 HydrophobicContact CD2-CE2 4.46Å; F973-Y996 AromaticContact CD2-CG 3.93Å; F973-Y996 HydrophobicContact CD2-CG 3.93Å; F973-Y996 AromaticContact CE2-CD1 3.85Å; F973-Y996 HydrophobicContact CE2-CD1 3.85Å; F973-Y996 HydrophobicContact CE2-CE1 4.31Å; F973-Y996 HydrophobicContact CE2-CG 4.25Å; F973-Y996 HydrophobicContact CG-CD1 4.44Å; F973-Y996 HydrophobicContact CG-CE1 4.08Å; V984-Y996 CarbonylContact C-O 3.59Å; V984-Y996 VanDerWaalsContact CA-O 3.29Å; V984-Y996 WeakPolarHBondContact CA-O 3.2Å; Y985-Y996 PolarHBondContact N-O 3.44Å; Y985-Y996 PolarHBondContact O-N 3.04Å; H994-Y996 HydrophobicContact CB-CE2 4.12Å; Y996-L1005 WeakPolarHBondContact CA-O 3.19Å
997I88.3Confident84.3Confident0 Ų036.8 Ų36.80%020%0.195CC..EExtended strand (participates in β ladder)trans-12714216658.6162.8000109.6V984 I999 Y1004 L1005 L1030 R1031V984-I997 HydrophobicContact CB-CG2 4.36Å; V984-I997 HydrophobicContact CG1-CG2 4.07Å; V984-I997 HydrophobicContact CG2-CG2 3.96Å; I997-I999 HydrophobicContact CD1-CG2 3.59Å; I997-I999 HydrophobicContact CG1-CG2 3.81Å; I997-Y1004 WeakPolarHBondContact O-CA 3.27Å; I997-L1005 HydrophobicContact CD1-CB 4.35Å; I997-L1005 HydrophobicContact CD1-CD2 4.27Å; I997-L1005 HydrophobicContact CG1-CB 3.84Å; I997-L1005 PolarHBondContact N-O 2.85Å; I997-L1005 PolarHBondContact O-N 3.25Å; I997-L1030 VanDerWaalsContact CD1-C 3.47Å; I997-L1030 HydrophobicContact CD1-CB 3.58Å; I997-L1030 HydrophobicContact CG1-CB 3.99Å; I997-L1030 HydrophobicContact CG1-CD1 4.49Å; I997-L1030 HydrophobicContact CG2-CB 4.46Å; I997-R1031 HydrophobicContact CD1-CB 4.24Å; I997-R1031 HydrophobicContact CD1-CG 3.51Å
998C86.5Confident84.8Confident33 Ų3335.3 Ų35.322%0.22319%0.185CC..EExtended strand (participates in β ladder)trans-71.7134.6163.7-165.10000108.4D983 E1000 Y1004D983-C998 PolarHBondContact O-N 3.31Å; C998-E1000 PolarHBondContact SG-O 3.43Å; C998-Y1004 HydrophobicContact CB-CD1 4.32Å; C998-Y1004 HydrophobicContact CB-CE1 4.04Å
999I87.3Confident85.4Confident18 Ų1830.9 Ų30.99%0.09216%0.161CC..EExtended strand (participates in β ladder)trans-122.1-33.5-177.251.9162.3000113.6I997 F1003 L1005 Y1034 I1044I997-I999 HydrophobicContact CD1-CG2 3.59Å; I997-I999 HydrophobicContact CG1-CG2 3.81Å; I999-F1003 HydrophobicContact CD1-CB 4.35Å; I999-F1003 HydrophobicContact CG1-CB 3.96Å; I999-F1003 WeakPolarHBondContact CG1-O 3.22Å; I999-F1003 PolarHBondContact N-O 3.05Å; I999-L1005 HydrophobicContact CD1-CB 4.19Å; I999-L1005 HydrophobicContact CG2-CB 3.97Å; I999-Y1034 HydrophobicContact CB-CD1 3.54Å; I999-Y1034 HydrophobicContact CB-CD2 4.02Å; I999-Y1034 HydrophobicContact CB-CE1 3.74Å; I999-Y1034 HydrophobicContact CB-CE2 4.25Å; I999-Y1034 HydrophobicContact CB-CG 3.68Å; I999-Y1034 HydrophobicContact CD1-CD2 3.69Å; I999-Y1034 HydrophobicContact CD1-CE2 4.02Å; I999-Y1034 HydrophobicContact CD1-CG 4.13Å; I999-Y1034 HydrophobicContact CG1-CD2 4.44Å; I999-Y1034 HydrophobicContact CG2-CD1 3.61Å; I999-Y1034 HydrophobicContact CG2-CD2 4.28Å; I999-Y1034 HydrophobicContact CG2-CE1 4.33Å; I999-Y1034 HydrophobicContact CG2-CG 3.58Å; I999-Y1034 WeakPolarHBondContact O-CE1 3.41Å; I999-I1044 HydrophobicContact CD1-CD1 3.56Å
1000E85.1Confident85.9Confident32 Ų3231.1 Ų31.115%0.1516%0.163CC..EExtended strand (participates in β ladder)trans-148.9173.6166-59.9-166.7138.100108.2C998 N1002 F1003 Y1034 G1043 I1044 S1045C998-E1000 PolarHBondContact SG-O 3.43Å; E1000-N1002 PolarHBondContact O-N 3.22Å; E1000-N1002 VanDerWaalsContact O-N 3.07Å; E1000-F1003 HydrophobicContact CB-CB 4.2Å; E1000-F1003 HydrophobicContact CB-CD2 4.3Å; E1000-F1003 PolarHBondContact O-N 3.18Å; E1000-Y1034 HydrophobicContact CG-CE1 4.49Å; E1000-Y1034 WeakPolarHBondContact CG-OH 3.48Å; E1000-Y1034 PolarHBondContact OE1-OH 2.8Å; E1000-G1043 WeakPolarHBondContact OE1-CA 3.42Å; E1000-I1044 WeakPolarHBondContact OE2-CA 3.27Å; E1000-I1044 PolarHBondContact OE2-N 3.23Å; E1000-S1045 PolarHBondContact OE2-N 3.22Å; E1000-S1045 PolarHBondContact OE2-OG 3.05Å
1001D79.6Confident86.4Confident142 Ų14229.8 Ų29.876%0.75914%0.143SC*.THydrogen-bonded Turntrans-52.3118.2178.7-64.7-55.3000111.5F1003D1001-F1003 WeakPolarHBondContact O-CD2 3.28Å; D1001-F1003 PolarHBondContact O-N 2.95Å; D1001-F1003 VanDerWaalsContact O-N 3.1Å
1002N79.6Confident86.4Confident64 Ų6433.4 Ų33.434%0.34215%0.153SC..THydrogen-bonded Turntrans57.910.6-175.2-57.7-16.7000116N933 P934 D935 E1000 Y1004N933-N1002 VanDerWaalsContact CA-O 3.27Å; N933-N1002 WeakPolarHBondContact CA-O 3.39Å; N933-N1002 WeakPolarHBondContact CB-O 3.18Å; N933-N1002 PolarHBondContact ND2-O 3.43Å; N933-N1002 PolarHBondContact OD1-O 3.1Å; P934-N1002 WeakPolarHBondContact CD-O 3.08Å; D935-N1002 PolarHBondContact OD2-ND2 3.45Å; E1000-N1002 PolarHBondContact O-N 3.22Å; E1000-N1002 VanDerWaalsContact O-N 3.07Å; N1002-Y1004 WeakPolarHBondContact O-CD2 3.24Å; N1002-Y1004 WeakPolarHBondContact O-CE2 3.07Å
1003F87.4Confident86.1Confident4 Ų438.1 Ų38.12%0.01817%0.17CC..EExtended strand (participates in β ladder)trans-101124.6171-77.1-80.2000111.9V931 N933 Y936 F948 I999 E1000 D1001 I1044 S1045 V1048V931-F1003 HydrophobicContact CG1-CD1 4.36Å; N933-F1003 HydrophobicContact CB-CD1 3.81Å; N933-F1003 HydrophobicContact CB-CE1 3.74Å; N933-F1003 HydrophobicContact CB-CG 4.41Å; N933-F1003 HydrophobicContact CB-CZ 4.3Å; N933-F1003 WeakPolarHBondContact ND2-CD2 3.35Å; N933-F1003 WeakPolarHBondContact ND2-CE2 3.22Å; N933-F1003 VanDerWaalsContact ND2-CZ 3.27Å; N933-F1003 WeakPolarHBondContact ND2-CZ 3.26Å; Y936-F1003 HydrophobicContact CE2-CZ 4.11Å; F948-F1003 AromaticContact CD1-CE1 3.84Å; F948-F1003 HydrophobicContact CD1-CE1 3.84Å; F948-F1003 HydrophobicContact CD2-CE1 4.12Å; F948-F1003 AromaticContact CE1-CE1 3.56Å; F948-F1003 HydrophobicContact CE1-CE1 3.56Å; F948-F1003 AromaticContact CE1-CZ 3.93Å; F948-F1003 HydrophobicContact CE1-CZ 3.93Å; F948-F1003 AromaticContact CE2-CE1 3.88Å; F948-F1003 HydrophobicContact CE2-CE1 3.88Å; F948-F1003 HydrophobicContact CE2-CZ 4.49Å; F948-F1003 HydrophobicContact CG-CE1 4.11Å; F948-F1003 AromaticContact CZ-CE1 3.58Å; F948-F1003 HydrophobicContact CZ-CE1 3.58Å; F948-F1003 AromaticContact CZ-CZ 3.86Å; F948-F1003 HydrophobicContact CZ-CZ 3.86Å; I999-F1003 HydrophobicContact CD1-CB 4.35Å; I999-F1003 HydrophobicContact CG1-CB 3.96Å; I999-F1003 WeakPolarHBondContact CG1-O 3.22Å; I999-F1003 PolarHBondContact N-O 3.05Å; E1000-F1003 HydrophobicContact CB-CB 4.2Å; E1000-F1003 HydrophobicContact CB-CD2 4.3Å; E1000-F1003 PolarHBondContact O-N 3.18Å; D1001-F1003 WeakPolarHBondContact O-CD2 3.28Å; D1001-F1003 PolarHBondContact O-N 2.95Å; D1001-F1003 VanDerWaalsContact O-N 3.1Å; F1003-I1044 HydrophobicContact CD1-CB 4.44Å; F1003-I1044 HydrophobicContact CD1-CG2 3.85Å; F1003-I1044 HydrophobicContact CE1-CG2 3.57Å; F1003-I1044 HydrophobicContact CE2-CG2 4.36Å; F1003-I1044 HydrophobicContact CG-CG2 4.36Å; F1003-I1044 HydrophobicContact CZ-CG2 3.85Å; F1003-S1045 WeakPolarHBondContact CD2-OG 3.28Å; F1003-S1045 WeakPolarHBondContact CE2-OG 3.06Å; F1003-V1048 HydrophobicContact CZ-CG2 4.44Å
1004Y88Confident85.6Confident17 Ų1737.4 Ų37.47%0.06717%0.167CC..EExtended strand (participates in β ladder)trans-120.8133.9-176.1-59.9-84.3000111.4V931 Y932 P934 F973 F977 I997 C998 N1002V931-Y1004 WeakPolarHBondContact CA-O 3.49Å; Y932-Y1004 PolarHBondContact N-O 2.96Å; Y932-Y1004 PolarHBondContact O-N 2.97Å; P934-Y1004 HydrophobicContact CG-CE2 4.47Å; F973-Y1004 HydrophobicContact CE1-CD2 4.47Å; F973-Y1004 AromaticContact CE2-CD1 3.97Å; F973-Y1004 HydrophobicContact CE2-CD1 3.97Å; F973-Y1004 HydrophobicContact CE2-CD2 4.35Å; F973-Y1004 AromaticContact CE2-CG 3.89Å; F973-Y1004 HydrophobicContact CE2-CG 3.89Å; F973-Y1004 AromaticContact CZ-CD1 3.93Å; F973-Y1004 HydrophobicContact CZ-CD1 3.93Å; F973-Y1004 AromaticContact CZ-CD2 3.57Å; F973-Y1004 HydrophobicContact CZ-CD2 3.57Å; F973-Y1004 HydrophobicContact CZ-CE1 4.27Å; F973-Y1004 AromaticContact CZ-CE2 3.92Å; F973-Y1004 HydrophobicContact CZ-CE2 3.92Å; F973-Y1004 AromaticContact CZ-CG 3.58Å; F973-Y1004 HydrophobicContact CZ-CG 3.58Å; F977-Y1004 WeakPolarHBondContact CE1-OH 3.26Å; F977-Y1004 HydrophobicContact CE2-CE1 4.42Å; F977-Y1004 AromaticContact CZ-CE1 3.67Å; F977-Y1004 HydrophobicContact CZ-CE1 3.67Å; F977-Y1004 HydrophobicContact CZ-CE2 4.27Å; F977-Y1004 AromaticContact CZ-CZ 3.48Å; F977-Y1004 VanDerWaalsContact CZ-CZ 3.48Å; F977-Y1004 VanDerWaalsContact CZ-OH 3.28Å; F977-Y1004 WeakPolarHBondContact CZ-OH 3.36Å; I997-Y1004 WeakPolarHBondContact O-CA 3.27Å; C998-Y1004 HydrophobicContact CB-CD1 4.32Å; C998-Y1004 HydrophobicContact CB-CE1 4.04Å; N1002-Y1004 WeakPolarHBondContact O-CD2 3.24Å; N1002-Y1004 WeakPolarHBondContact O-CE2 3.07Å
1005L90.9Very high84.9Confident0 Ų042.2 Ų42.20%019%0.193CC..EExtended strand (participates in β ladder)trans-103.6109.9171.4-170.272.2000108.8F929 V931 Y996 I997 I999 L1030 A1033 F1064F929-L1005 HydrophobicContact CE1-CD1 3.76Å; F929-L1005 HydrophobicContact CE2-CD1 4.44Å; F929-L1005 HydrophobicContact CE2-CD2 4.42Å; F929-L1005 HydrophobicContact CE2-CG 4.49Å; F929-L1005 HydrophobicContact CZ-CD1 3.68Å; F929-L1005 HydrophobicContact CZ-CD2 4.09Å; F929-L1005 HydrophobicContact CZ-CG 4.14Å; V931-L1005 HydrophobicContact CG2-CD1 3.53Å; Y996-L1005 WeakPolarHBondContact CA-O 3.19Å; I997-L1005 HydrophobicContact CD1-CB 4.35Å; I997-L1005 HydrophobicContact CD1-CD2 4.27Å; I997-L1005 HydrophobicContact CG1-CB 3.84Å; I997-L1005 PolarHBondContact N-O 2.85Å; I997-L1005 PolarHBondContact O-N 3.25Å; I999-L1005 HydrophobicContact CD1-CB 4.19Å; I999-L1005 HydrophobicContact CG2-CB 3.97Å; L1005-L1030 HydrophobicContact CD2-CB 4.1Å; L1005-L1030 HydrophobicContact CD2-CD2 4.05Å; L1005-L1030 WeakPolarHBondContact CD2-O 3.32Å; L1005-L1030 HydrophobicContact CG-CD2 4.37Å; L1005-A1033 HydrophobicContact CD2-CB 4.33Å; L1005-F1064 HydrophobicContact CD1-CZ 4.16Å
1006G88.5Confident84Confident0 Ų046.5 Ų46.50%022%0.223CC..EExtended strand (participates in β ladder)trans-107.3148.2-177.700000113.1F929 F930 I995F929-G1006 CarbonylContact C-O 3.54Å; F929-G1006 VanDerWaalsContact CA-O 3.32Å; F929-G1006 WeakPolarHBondContact CA-O 3.23Å; F930-G1006 PolarHBondContact N-O 3.31Å; F930-G1006 PolarHBondContact O-N 3.08Å; I995-G1006 CarbonylContact O-C 3.58Å; I995-G1006 WeakPolarHBondContact O-CA 3.5Å
1007A89.6Confident82.8Confident0 Ų049 Ų490%024%0.236CC..EExtended strand (participates in β ladder)trans-140148.9171.600000110.8L926 A928 F929 H994 I995 F1009 L1030L926-A1007 HydrophobicContact CD1-CB 4Å; A928-A1007 CarbonylContact O-C 3.58Å; A928-A1007 WeakPolarHBondContact O-CA 3.17Å; F929-A1007 HydrophobicContact CD2-CB 4.33Å; H994-A1007 WeakPolarHBondContact CA-O 3.34Å; I995-A1007 HydrophobicContact CG2-CB 4.17Å; I995-A1007 PolarHBondContact N-O 3.2Å; I995-A1007 PolarHBondContact O-N 3.45Å; A1007-F1009 HydrophobicContact CB-CE2 3.69Å; A1007-F1009 HydrophobicContact CB-CZ 4.01Å; A1007-L1030 HydrophobicContact CB-CD1 4.2Å; A1007-L1030 HydrophobicContact CB-CD2 4.17Å
1008T88.5Confident81.5Confident0 Ų049.5 Ų49.50%024%0.241CC..EExtended strand (participates in β ladder)trans-134.2129.7176-66.30000109.5C927 A928 G965 F992 Y993 H994C927-T1008 WeakPolarHBondContact CA-O 3.47Å; C927-T1008 HydrophobicContact CB-CG2 4.32Å; C927-T1008 WeakPolarHBondContact CB-O 3.48Å; C927-T1008 PolarHBondContact N-O 3.17Å; A928-T1008 PolarHBondContact N-O 3.2Å; A928-T1008 PolarHBondContact O-N 2.96Å; G965-T1008 PolarHBondContact O-OG1 3.35Å; F992-T1008 HydrophobicContact CB-CG2 3.91Å; F992-T1008 HydrophobicContact CD1-CG2 4.07Å; F992-T1008 HydrophobicContact CG-CG2 4.11Å; Y993-T1008 CarbonylContact O-C 3.52Å; Y993-T1008 WeakPolarHBondContact O-CA 3.36Å; H994-T1008 VanDerWaalsContact ND1-CG2 3.34Å; H994-T1008 WeakPolarHBondContact ND1-CG2 3.07Å; H994-T1008 PolarHBondContact ND1-OG1 3.48Å
1009F89Confident80.4Confident9 Ų948.4 Ų48.44%0.03923%0.232CC..EExtended strand (participates in β ladder)trans-114.6143.1-175.7-61.2-88.2000110.6I925 L926 F992 Y993 I995 A1007 R1011 L1021 L1026I925-F1009 HydrophobicContact CD1-CD1 3.92Å; I925-F1009 HydrophobicContact CD1-CE1 4.38Å; I925-F1009 HydrophobicContact CG1-CD1 3.9Å; I925-F1009 HydrophobicContact CG1-CE1 4.4Å; I925-F1009 WeakPolarHBondContact O-CA 3.38Å; L926-F1009 HydrophobicContact CB-CD1 4.3Å; L926-F1009 HydrophobicContact CB-CE1 4.19Å; L926-F1009 HydrophobicContact CD1-CD1 4.06Å; L926-F1009 HydrophobicContact CD1-CE1 3.61Å; L926-F1009 HydrophobicContact CD1-CE2 4.35Å; L926-F1009 HydrophobicContact CD1-CZ 3.76Å; F992-F1009 CarbonylContact C-O 3.59Å; F992-F1009 VanDerWaalsContact CA-O 3.23Å; F992-F1009 WeakPolarHBondContact CA-O 3.43Å; Y993-F1009 HydrophobicContact CD1-CD2 4.26Å; Y993-F1009 PolarHBondContact N-O 3.34Å; Y993-F1009 PolarHBondContact O-N 2.66Å; I995-F1009 HydrophobicContact CG2-CD2 4.47Å; I995-F1009 HydrophobicContact CG2-CE2 3.88Å; A1007-F1009 HydrophobicContact CB-CE2 3.69Å; A1007-F1009 HydrophobicContact CB-CZ 4.01Å; F1009-R1011 PolarHBondContact O-N 3.36Å; F1009-L1021 HydrophobicContact CB-CD1 4.18Å; F1009-L1021 HydrophobicContact CB-CD2 3.65Å; F1009-L1021 HydrophobicContact CD1-CD2 4.14Å; F1009-L1021 HydrophobicContact CD2-CD2 4.42Å; F1009-L1021 HydrophobicContact CG-CD2 3.82Å; F1009-L1026 HydrophobicContact CD2-CD1 4.13Å; F1009-L1026 HydrophobicContact CE1-CD2 4.13Å; F1009-L1026 HydrophobicContact CE2-CD1 3.9Å; F1009-L1026 HydrophobicContact CE2-CD2 4Å; F1009-L1026 HydrophobicContact CE2-CG 4.44Å; F1009-L1026 HydrophobicContact CZ-CD1 4.36Å; F1009-L1026 HydrophobicContact CZ-CD2 3.63Å
1010S86.7Confident79.5Confident18 Ų1850 Ų5013%0.12624%0.244CC..EExtended strand (participates in β ladder)trans-78.1117.5171178.20000109.4I925 C927 R1013 A1014I925-S1010 PolarHBondContact O-N 2.82Å; C927-S1010 VanDerWaalsContact SG-CB 3.52Å; C927-S1010 PolarHBondContact SG-N 3.35Å; C927-S1010 VanDerWaalsContact SG-N 3.38Å; S1010-R1013 PolarHBondContact O-N 2.86Å; S1010-R1013 PolarHBondContact OG-N 3.19Å; S1010-A1014 PolarHBondContact O-N 2.83Å
1011R83.9Confident79.2Confident104 Ų10450.2 Ų50.239%0.39225%0.246SC..Hα-helixtrans-57.2-55.5174.9-172.1175.4176.81710.2110K991 F1009 R1013 A1014 D1015K991-R1011 WeakPolarHBondContact O-CB 3.26Å; K991-R1011 PolarHBondContact O-N 3.17Å; F1009-R1011 PolarHBondContact O-N 3.36Å; R1011-R1013 PolarHBondContact O-N 3.36Å; R1011-A1014 WeakPolarHBondContact O-CA 3.33Å; R1011-A1014 WeakPolarHBondContact O-CB 3.34Å; R1011-A1014 PolarHBondContact O-N 2.9Å; R1011-D1015 VanDerWaalsContact C-OD2 3.22Å; R1011-D1015 WeakPolarHBondContact CG-OD2 3.47Å; R1011-D1015 PolarHBondContact O-N 3.49Å; R1011-D1015 VanDerWaalsContact O-OD2 3.09Å
1012R79.9Confident78.9Confident212 Ų21248.3 Ų48.380%0.823%0.228SC*.Hα-helixtrans-52.7-35.2177.8-173.2177.4-179-176.32.4114.2D1015 S1016R1012-D1015 WeakPolarHBondContact CA-OD2 3.41Å; R1012-D1015 PolarHBondContact N-OD2 3.25Å; R1012-S1016 VanDerWaalsContact O-CB 3.28Å; R1012-S1016 WeakPolarHBondContact O-CB 3.43Å; R1012-S1016 PolarHBondContact O-N 2.93Å; R1012-S1016 VanDerWaalsContact O-N 3.1Å; R1012-S1016 PolarHBondContact O-OG 2.86Å
1013R79.9Confident78.9Confident127 Ų12749.9 Ų49.948%0.47923%0.229SC..Hα-helixtrans-74.3-44175.4-68.7-165.4-171.9169.34.1112.2D924 I925 S1010 R1011 D1015 S1016 I1017D924-R1013 WeakPolarHBondContact O-CD 3.07Å; D924-R1013 PolarHBondContact O-NH1 3.32Å; I925-R1013 HydrophobicContact CG2-CB 4.08Å; S1010-R1013 PolarHBondContact O-N 2.86Å; S1010-R1013 PolarHBondContact OG-N 3.19Å; R1011-R1013 PolarHBondContact O-N 3.36Å; R1013-D1015 VanDerWaalsContact C-N 3.34Å; R1013-S1016 WeakPolarHBondContact CA-OG 3.33Å; R1013-S1016 PolarHBondContact O-N 3.19Å; R1013-S1016 VanDerWaalsContact O-N 3.16Å; R1013-S1016 PolarHBondContact O-OG 3.44Å; R1013-I1017 PolarHBondContact O-N 3.44Å; R1013-I1017 VanDerWaalsContact O-N 3.16Å
1014A76.7Confident78.2Confident0 Ų053.3 Ų53.30%025%0.248CC..Hα-helixtrans-60.3-45.7177.300000111.1I925 S1010 R1011 S1016 I1017 G1018 Y1019 L1021I925-A1014 HydrophobicContact CB-CB 4.49Å; I925-A1014 HydrophobicContact CG2-CB 4.06Å; S1010-A1014 PolarHBondContact O-N 2.83Å; R1011-A1014 WeakPolarHBondContact O-CA 3.33Å; R1011-A1014 WeakPolarHBondContact O-CB 3.34Å; R1011-A1014 PolarHBondContact O-N 2.9Å; A1014-S1016 VanDerWaalsContact C-N 3.35Å; A1014-S1016 PolarHBondContact O-N 2.91Å; A1014-I1017 PolarHBondContact O-N 3.2Å; A1014-G1018 PolarHBondContact O-N 2.61Å; A1014-G1018 VanDerWaalsContact O-N 3.08Å; A1014-Y1019 WeakPolarHBondContact CB-O 3.43Å; A1014-Y1019 PolarHBondContact O-N 3.24Å; A1014-L1021 HydrophobicContact CB-CD1 3.64Å; A1014-L1021 HydrophobicContact CB-CD2 4.06Å; A1014-L1021 HydrophobicContact CB-CG 3.72Å
1015D73.7Confident77.3Confident100 Ų10054.1 Ų54.154%0.53525%0.254SS..Hα-helixtrans-55.5-48171.3-50.1-29.9000110.7R1011 R1012 R1013 I1017 G1018R1011-D1015 VanDerWaalsContact C-OD2 3.22Å; R1011-D1015 WeakPolarHBondContact CG-OD2 3.47Å; R1011-D1015 PolarHBondContact O-N 3.49Å; R1011-D1015 VanDerWaalsContact O-OD2 3.09Å; R1012-D1015 WeakPolarHBondContact CA-OD2 3.41Å; R1012-D1015 PolarHBondContact N-OD2 3.25Å; R1013-D1015 VanDerWaalsContact C-N 3.34Å; D1015-I1017 VanDerWaalsContact C-N 3.26Å; D1015-I1017 PolarHBondContact O-N 2.93Å; D1015-G1018 PolarHBondContact O-N 3.31Å
1016S68.7Low76.8Confident90 Ų9054.3 Ų54.363%0.62926%0.255SS*.Hα-helixtrans-68.8-14.5-176.671.20000116R1012 R1013 A1014R1012-S1016 VanDerWaalsContact O-CB 3.28Å; R1012-S1016 WeakPolarHBondContact O-CB 3.43Å; R1012-S1016 PolarHBondContact O-N 2.93Å; R1012-S1016 VanDerWaalsContact O-N 3.1Å; R1012-S1016 PolarHBondContact O-OG 2.86Å; R1013-S1016 WeakPolarHBondContact CA-OG 3.33Å; R1013-S1016 PolarHBondContact O-N 3.19Å; R1013-S1016 VanDerWaalsContact O-N 3.16Å; R1013-S1016 PolarHBondContact O-OG 3.44Å; A1014-S1016 VanDerWaalsContact C-N 3.35Å; A1014-S1016 PolarHBondContact O-N 2.91Å
1017I62.1Low76.4Confident60 Ų6055 Ų5531%0.30826%0.26SS..THydrogen-bonded Turntrans-116.34.9176.872.3174.8000113.1V920 I925 R1013 A1014 D1015V920-I1017 HydrophobicContact CB-CD1 4.3Å; V920-I1017 HydrophobicContact CG1-CD1 3.52Å; V920-I1017 HydrophobicContact CG2-CD1 3.77Å; V920-I1017 HydrophobicContact CG2-CG1 4.42Å; I925-I1017 HydrophobicContact CG2-CD1 3.4Å; I925-I1017 HydrophobicContact CG2-CG1 4.07Å; R1013-I1017 PolarHBondContact O-N 3.44Å; R1013-I1017 VanDerWaalsContact O-N 3.16Å; A1014-I1017 PolarHBondContact O-N 3.2Å; D1015-I1017 VanDerWaalsContact C-N 3.26Å; D1015-I1017 PolarHBondContact O-N 2.93Å
1018G59.3Low75.7Confident10 Ų1058.5 Ų58.510%0.10328%0.281CS..THydrogen-bonded Turntrans69.934.3-179.600000115.1A1014 D1015 I1096A1014-G1018 PolarHBondContact O-N 2.61Å; A1014-G1018 VanDerWaalsContact O-N 3.08Å; D1015-G1018 PolarHBondContact O-N 3.31Å; G1018-I1096 VanDerWaalsContact CA-CD1 3.46Å
1019Y64.1Low75Confident9 Ų959.2 Ų59.24%0.03529%0.287CS..  trans-104113.7178-170.8-85.5000112.8V920 I925 A1014 L1021 L1073 L1075V920-Y1019 HydrophobicContact CB-CD2 4Å; V920-Y1019 HydrophobicContact CG1-CD2 4.17Å; V920-Y1019 HydrophobicContact CG1-CG 4.45Å; V920-Y1019 HydrophobicContact CG2-CD2 3.96Å; I925-Y1019 HydrophobicContact CD1-CD1 3.55Å; I925-Y1019 HydrophobicContact CD1-CE1 4.05Å; I925-Y1019 HydrophobicContact CD1-CG 4.04Å; A1014-Y1019 WeakPolarHBondContact CB-O 3.43Å; A1014-Y1019 PolarHBondContact O-N 3.24Å; Y1019-L1021 HydrophobicContact CD1-CD2 4.22Å; Y1019-L1021 HydrophobicContact CE1-CD2 4.43Å; Y1019-L1021 PolarHBondContact O-N 3.19Å; Y1019-L1073 HydrophobicContact CD2-CB 4.5Å; Y1019-L1073 HydrophobicContact CE1-CD1 4.07Å; Y1019-L1073 HydrophobicContact CE2-CB 3.6Å; Y1019-L1073 HydrophobicContact CE2-CD1 4.29Å; Y1019-L1075 HydrophobicContact CD2-CD2 3.75Å; Y1019-L1075 HydrophobicContact CE2-CD2 3.65Å; Y1019-L1075 HydrophobicContact CE2-CG 4.47Å
1020P69.4Low74.9Confident51 Ų5159.1 Ų59.133%0.33129%0.287SS..  trans-75.2120.5177.429.1-33.4000112.4R1022P1020-R1022 HydrophobicContact CB-CG 4.31Å; P1020-R1022 PolarHBondContact O-N 3.36Å
1021L77.5Confident74.7Confident37 Ų3762.1 Ų62.119%0.19430%0.296CS..  trans-79.176.8-178.5-67.9169.1000112.2I925 Y993 F1009 A1014 Y1019 L1026I925-L1021 HydrophobicContact CD1-CD2 3.95Å; Y993-L1021 HydrophobicContact CD1-CB 4.16Å; Y993-L1021 HydrophobicContact CG-CB 4.39Å; F1009-L1021 HydrophobicContact CB-CD1 4.18Å; F1009-L1021 HydrophobicContact CB-CD2 3.65Å; F1009-L1021 HydrophobicContact CD1-CD2 4.14Å; F1009-L1021 HydrophobicContact CD2-CD2 4.42Å; F1009-L1021 HydrophobicContact CG-CD2 3.82Å; A1014-L1021 HydrophobicContact CB-CD1 3.64Å; A1014-L1021 HydrophobicContact CB-CD2 4.06Å; A1014-L1021 HydrophobicContact CB-CG 3.72Å; Y1019-L1021 HydrophobicContact CD1-CD2 4.22Å; Y1019-L1021 HydrophobicContact CE1-CD2 4.43Å; Y1019-L1021 PolarHBondContact O-N 3.19Å; L1021-L1026 HydrophobicContact CB-CD1 4.48Å; L1021-L1026 HydrophobicContact CD2-CD1 4.19Å
1022R74Confident74.3Confident103 Ų10363.2 Ų63.239%0.38930%0.303SS..  trans-90.8136.4-178.4-41.7-158.7-46.1-1523.9114.2P1020 D1024 V1025 L1026P1020-R1022 HydrophobicContact CB-CG 4.31Å; P1020-R1022 PolarHBondContact O-N 3.36Å; R1022-D1024 VanDerWaalsContact C-N 3.32Å; R1022-D1024 WeakPolarHBondContact CB-OD1 3.5Å; R1022-D1024 IonicContact CZ-OD1 3.5Å; R1022-D1024 IonicContact CZ-OD2 2.71Å; R1022-D1024 IonicContact NE-OD1 2.65Å; R1022-D1024 PolarHBondContact NE-OD1 3.26Å; R1022-D1024 IonicContact NE-OD2 3.93Å; R1022-D1024 IonicContact NH2-OD1 3.69Å; R1022-D1024 IonicContact NH2-OD2 2.75Å; R1022-D1024 PolarHBondContact NH2-OD2 2.81Å; R1022-D1024 PolarHBondContact O-N 2.78Å; R1022-V1025 HydrophobicContact CB-CG2 4.4Å; R1022-V1025 PolarHBondContact O-N 2.97Å; R1022-L1026 WeakPolarHBondContact O-CB 3.43Å; R1022-L1026 VanDerWaalsContact O-CG 3.3Å; R1022-L1026 WeakPolarHBondContact O-CG 3.38Å; R1022-L1026 PolarHBondContact O-N 2.8Å; R1022-L1026 VanDerWaalsContact O-N 3.14Å
1023R78.9Confident74.3Confident96 Ų9653.1 Ų53.136%0.36227%0.265SS..Hα-helixtrans-57.7-37.9177.6-171.9-176.2175.2162.9-18.8113.2D982 V984 D986 Y993 I995 S1027D982-R1023 IonicContact OD1-NH2 2.66Å; D982-R1023 IonicContact OD2-CZ 3.14Å; D982-R1023 IonicContact OD2-NH2 3.91Å; D982-R1023 PolarHBondContact OD2-NH2 2.97Å; V984-R1023 HydrophobicContact CG1-CG 4.15Å; V984-R1023 PolarHBondContact O-NH2 3.49Å; D986-R1023 HydrophobicContact CB-CG 4.38Å; D986-R1023 WeakPolarHBondContact OD1-CD 3.41Å; D986-R1023 IonicContact OD1-CZ 2.79Å; D986-R1023 VanDerWaalsContact OD1-CZ 3.28Å; D986-R1023 IonicContact OD1-NE 2.58Å; D986-R1023 PolarHBondContact OD1-NE 2.97Å; D986-R1023 IonicContact OD1-NH1 2.74Å; D986-R1023 PolarHBondContact OD1-NH1 3.09Å; Y993-R1023 WeakPolarHBondContact OH-CA 3.22Å; Y993-R1023 WeakPolarHBondContact OH-CB 3.1Å; I995-R1023 HydrophobicContact CD1-CG 4.22Å; R1023-S1027 WeakPolarHBondContact O-CB 3.5Å; R1023-S1027 PolarHBondContact O-N 2.92Å; R1023-S1027 PolarHBondContact O-OG 3.36Å
1024D72.7Confident74.6Confident77 Ų7747.4 Ų47.441%0.41224%0.244SC..Hα-helixtrans-65.8-54-179.170.5-51.6000111.6R1022 L1026 S1027 V1028R1022-D1024 VanDerWaalsContact C-N 3.32Å; R1022-D1024 WeakPolarHBondContact CB-OD1 3.5Å; R1022-D1024 IonicContact CZ-OD1 3.5Å; R1022-D1024 IonicContact CZ-OD2 2.71Å; R1022-D1024 IonicContact NE-OD1 2.65Å; R1022-D1024 PolarHBondContact NE-OD1 3.26Å; R1022-D1024 IonicContact NE-OD2 3.93Å; R1022-D1024 IonicContact NH2-OD1 3.69Å; R1022-D1024 IonicContact NH2-OD2 2.75Å; R1022-D1024 PolarHBondContact NH2-OD2 2.81Å; R1022-D1024 PolarHBondContact O-N 2.78Å; D1024-L1026 VanDerWaalsContact C-N 3.35Å; D1024-L1026 PolarHBondContact O-N 2.87Å; D1024-S1027 PolarHBondContact O-OG 3.31Å; D1024-V1028 WeakPolarHBondContact O-CB 2.89Å; D1024-V1028 VanDerWaalsContact O-CG2 3.31Å; D1024-V1028 WeakPolarHBondContact O-CG2 3.48Å; D1024-V1028 PolarHBondContact O-N 2.8Å
1025V68.8Low74.8Confident34 Ų3451.9 Ų51.921%0.20627%0.268CS..Hα-helixtrans-63-44.2-178.6-178.90000110.4R1022 A1029R1022-V1025 HydrophobicContact CB-CG2 4.4Å; R1022-V1025 PolarHBondContact O-N 2.97Å; V1025-A1029 WeakPolarHBondContact O-CB 3.47Å; V1025-A1029 PolarHBondContact O-N 2.69Å
1026L81.7Confident74.8Confident3 Ų349.2 Ų49.22%0.01625%0.253CS..Hα-helixtrans-71.7-41-176.6-65.6174000112.1Y993 I995 F1009 L1021 R1022 D1024 A1029 L1030 L1073Y993-L1026 HydrophobicContact CD1-CD1 4.01Å; Y993-L1026 HydrophobicContact CE1-CD1 3.65Å; I995-L1026 HydrophobicContact CD1-CB 3.86Å; I995-L1026 HydrophobicContact CG2-CB 4.38Å; F1009-L1026 HydrophobicContact CD2-CD1 4.13Å; F1009-L1026 HydrophobicContact CE1-CD2 4.13Å; F1009-L1026 HydrophobicContact CE2-CD1 3.9Å; F1009-L1026 HydrophobicContact CE2-CD2 4Å; F1009-L1026 HydrophobicContact CE2-CG 4.44Å; F1009-L1026 HydrophobicContact CZ-CD1 4.36Å; F1009-L1026 HydrophobicContact CZ-CD2 3.63Å; L1021-L1026 HydrophobicContact CB-CD1 4.48Å; L1021-L1026 HydrophobicContact CD2-CD1 4.19Å; R1022-L1026 WeakPolarHBondContact O-CB 3.43Å; R1022-L1026 VanDerWaalsContact O-CG 3.3Å; R1022-L1026 WeakPolarHBondContact O-CG 3.38Å; R1022-L1026 PolarHBondContact O-N 2.8Å; R1022-L1026 VanDerWaalsContact O-N 3.14Å; D1024-L1026 VanDerWaalsContact C-N 3.35Å; D1024-L1026 PolarHBondContact O-N 2.87Å; L1026-A1029 PolarHBondContact O-N 2.84Å; L1026-L1030 WeakPolarHBondContact O-CB 3.35Å; L1026-L1030 WeakPolarHBondContact O-CG 3.18Å; L1026-L1030 PolarHBondContact O-N 3.46Å; L1026-L1073 HydrophobicContact CD2-CD1 4.49Å; L1026-L1073 HydrophobicContact CD2-CD2 4.24Å
1027S79.1Confident75.6Confident15 Ų1545 Ų4511%0.10522%0.223CC..Hα-helixtrans-66.8-37.3175630000112.6R1023 D1024 L1030 R1031R1023-S1027 WeakPolarHBondContact O-CB 3.5Å; R1023-S1027 PolarHBondContact O-N 2.92Å; R1023-S1027 PolarHBondContact O-OG 3.36Å; D1024-S1027 PolarHBondContact O-OG 3.31Å; S1027-L1030 PolarHBondContact O-N 3.4Å; S1027-R1031 WeakPolarHBondContact O-CB 3.32Å; S1027-R1031 WeakPolarHBondContact O-CG 3.42Å; S1027-R1031 PolarHBondContact O-N 3.12Å
1028V74.5Confident76.6Confident73 Ų7348.3 Ų48.344%0.44223%0.231SC..Hα-helixtrans-65.4-41172.3170.20000111.3D1024 R1031 K1032D1024-V1028 WeakPolarHBondContact O-CB 2.89Å; D1024-V1028 VanDerWaalsContact O-CG2 3.31Å; D1024-V1028 WeakPolarHBondContact O-CG2 3.48Å; D1024-V1028 PolarHBondContact O-N 2.8Å; V1028-R1031 PolarHBondContact O-N 2.77Å; V1028-K1032 HydrophobicContact CG1-CD 4.07Å; V1028-K1032 HydrophobicContact CG1-CG 4.48Å; V1028-K1032 WeakPolarHBondContact O-CB 3.39Å; V1028-K1032 VanDerWaalsContact O-CG 3.28Å; V1028-K1032 WeakPolarHBondContact O-CG 3.38Å; V1028-K1032 PolarHBondContact O-N 3.43Å
1029A75.5Confident77.1Confident16 Ų1651.4 Ų51.413%0.13225%0.245CC..Hα-helixtrans-63.1-43.3175.500000112.2V1025 L1026 K1032 A1033V1025-A1029 WeakPolarHBondContact O-CB 3.47Å; V1025-A1029 PolarHBondContact O-N 2.69Å; L1026-A1029 PolarHBondContact O-N 2.84Å; A1029-K1032 PolarHBondContact O-N 3.09Å; A1029-A1033 WeakPolarHBondContact O-CB 3.38Å; A1029-A1033 PolarHBondContact O-N 3.41Å
1030L85.1Confident77.5Confident6 Ų653.9 Ų53.93%0.03126%0.256CS..Hα-helixtrans-67-42.7176.1-69.7-177.4000112.5F929 I995 I997 L1005 A1007 L1026 S1027 K1032 A1033 Y1034F929-L1030 HydrophobicContact CD2-CD2 3.95Å; F929-L1030 HydrophobicContact CE2-CD2 3.5Å; F929-L1030 HydrophobicContact CZ-CD2 4.49Å; I995-L1030 HydrophobicContact CG2-CD1 4.01Å; I997-L1030 VanDerWaalsContact CD1-C 3.47Å; I997-L1030 HydrophobicContact CD1-CB 3.58Å; I997-L1030 HydrophobicContact CG1-CB 3.99Å; I997-L1030 HydrophobicContact CG1-CD1 4.49Å; I997-L1030 HydrophobicContact CG2-CB 4.46Å; L1005-L1030 HydrophobicContact CD2-CB 4.1Å; L1005-L1030 HydrophobicContact CD2-CD2 4.05Å; L1005-L1030 WeakPolarHBondContact CD2-O 3.32Å; L1005-L1030 HydrophobicContact CG-CD2 4.37Å; A1007-L1030 HydrophobicContact CB-CD1 4.2Å; A1007-L1030 HydrophobicContact CB-CD2 4.17Å; L1026-L1030 WeakPolarHBondContact O-CB 3.35Å; L1026-L1030 WeakPolarHBondContact O-CG 3.18Å; L1026-L1030 PolarHBondContact O-N 3.46Å; S1027-L1030 PolarHBondContact O-N 3.4Å; L1030-K1032 PolarHBondContact O-N 3.24Å; L1030-A1033 VanDerWaalsContact O-CB 3.26Å; L1030-A1033 WeakPolarHBondContact O-CB 3.28Å; L1030-A1033 PolarHBondContact O-N 2.82Å; L1030-A1033 VanDerWaalsContact O-N 3.16Å; L1030-Y1034 PolarHBondContact O-N 3.41Å
1031R83.8Confident77.8Confident82 Ų8253.7 Ų53.731%0.30925%0.25SS..Hα-helixtrans-65.9-36.9175.5-72.1-172.7-162.2-109.714.2111.8D983 V984 I997 S1027 V1028 Y1034 N1035D983-R1031 IonicContact OD2-CZ 2.79Å; D983-R1031 IonicContact OD2-NH1 2.9Å; D983-R1031 PolarHBondContact OD2-NH1 3.49Å; D983-R1031 IonicContact OD2-NH2 3.72Å; D983-R1031 PolarHBondContact OD2-NH2 3.09Å; V984-R1031 VanDerWaalsContact CG2-NH2 3.29Å; I997-R1031 HydrophobicContact CD1-CB 4.24Å; I997-R1031 HydrophobicContact CD1-CG 3.51Å; S1027-R1031 WeakPolarHBondContact O-CB 3.32Å; S1027-R1031 WeakPolarHBondContact O-CG 3.42Å; S1027-R1031 PolarHBondContact O-N 3.12Å; V1028-R1031 PolarHBondContact O-N 2.77Å; R1031-Y1034 PolarHBondContact O-N 2.85Å; R1031-N1035 VanDerWaalsContact O-CB 3.28Å; R1031-N1035 WeakPolarHBondContact O-CB 3.19Å; R1031-N1035 PolarHBondContact O-N 3.08Å; R1031-N1035 PolarHBondContact O-ND2 3.39Å
1032K75Confident78Confident127 Ų12753.4 Ų53.455%0.55226%0.257SS*.Hα-helixtrans-62.1-41.6170.3-77174.9178.61790111.7V1028 A1029 L1030 N1035 M1036V1028-K1032 HydrophobicContact CG1-CD 4.07Å; V1028-K1032 HydrophobicContact CG1-CG 4.48Å; V1028-K1032 WeakPolarHBondContact O-CB 3.39Å; V1028-K1032 VanDerWaalsContact O-CG 3.28Å; V1028-K1032 WeakPolarHBondContact O-CG 3.38Å; V1028-K1032 PolarHBondContact O-N 3.43Å; A1029-K1032 PolarHBondContact O-N 3.09Å; L1030-K1032 PolarHBondContact O-N 3.24Å; K1032-N1035 PolarHBondContact O-N 3.35Å; K1032-M1036 WeakPolarHBondContact O-CB 3.39Å; K1032-M1036 PolarHBondContact O-N 2.99Å
1033A80Confident78.4Confident0 Ų049 Ų490%024%0.243CC..Hα-helixtrans-57.8-49.7175.800000111.8L1005 A1029 L1030 F1037 F1063 F1064 Y1067 M1071L1005-A1033 HydrophobicContact CD2-CB 4.33Å; A1029-A1033 WeakPolarHBondContact O-CB 3.38Å; A1029-A1033 PolarHBondContact O-N 3.41Å; L1030-A1033 VanDerWaalsContact O-CB 3.26Å; L1030-A1033 WeakPolarHBondContact O-CB 3.28Å; L1030-A1033 PolarHBondContact O-N 2.82Å; L1030-A1033 VanDerWaalsContact O-N 3.16Å; A1033-F1037 PolarHBondContact O-N 2.85Å; A1033-F1063 WeakPolarHBondContact O-CE1 3.48Å; A1033-F1064 HydrophobicContact CB-CE1 3.99Å; A1033-Y1067 VanDerWaalsContact CA-CE1 3.45Å; A1033-Y1067 HydrophobicContact CB-CD1 3.88Å; A1033-Y1067 HydrophobicContact CB-CE1 3.36Å; A1033-M1071 HydrophobicContact CB-CE 4.29Å
1034Y87.2Confident78.9Confident7 Ų744.4 Ų44.43%0.02723%0.226CC..Hα-helixtrans-68.8-44.8178.7173.4-117000113.1I999 E1000 L1030 R1031 M1036 F1037 R1038 I1044I999-Y1034 HydrophobicContact CB-CD1 3.54Å; I999-Y1034 HydrophobicContact CB-CD2 4.02Å; I999-Y1034 HydrophobicContact CB-CE1 3.74Å; I999-Y1034 HydrophobicContact CB-CE2 4.25Å; I999-Y1034 HydrophobicContact CB-CG 3.68Å; I999-Y1034 HydrophobicContact CD1-CD2 3.69Å; I999-Y1034 HydrophobicContact CD1-CE2 4.02Å; I999-Y1034 HydrophobicContact CD1-CG 4.13Å; I999-Y1034 HydrophobicContact CG1-CD2 4.44Å; I999-Y1034 HydrophobicContact CG2-CD1 3.61Å; I999-Y1034 HydrophobicContact CG2-CD2 4.28Å; I999-Y1034 HydrophobicContact CG2-CE1 4.33Å; I999-Y1034 HydrophobicContact CG2-CG 3.58Å; I999-Y1034 WeakPolarHBondContact O-CE1 3.41Å; E1000-Y1034 HydrophobicContact CG-CE1 4.49Å; E1000-Y1034 WeakPolarHBondContact CG-OH 3.48Å; E1000-Y1034 PolarHBondContact OE1-OH 2.8Å; L1030-Y1034 PolarHBondContact O-N 3.41Å; R1031-Y1034 PolarHBondContact O-N 2.85Å; Y1034-M1036 PolarHBondContact O-N 2.96Å; Y1034-F1037 HydrophobicContact CD2-CD1 4.46Å; Y1034-F1037 HydrophobicContact CE2-CD1 4.32Å; Y1034-F1037 WeakPolarHBondContact O-CA 3.24Å; Y1034-F1037 WeakPolarHBondContact O-CB 3.31Å; Y1034-F1037 PolarHBondContact O-N 2.69Å; Y1034-R1038 HydrophobicContact CE2-CB 4.25Å; Y1034-R1038 WeakPolarHBondContact O-CB 3.36Å; Y1034-R1038 PolarHBondContact O-N 3Å; Y1034-I1044 HydrophobicContact CE2-CD1 4.22Å; Y1034-I1044 HydrophobicContact CE2-CG1 4.2Å
1035N80.7Confident79.5Confident94 Ų9442.9 Ų42.950%0.50322%0.221SC..Hα-helixtrans-60.4-36.9178.2-74.5-19.2000111.8R1031 K1032 R1038 L1039R1031-N1035 VanDerWaalsContact O-CB 3.28Å; R1031-N1035 WeakPolarHBondContact O-CB 3.19Å; R1031-N1035 PolarHBondContact O-N 3.08Å; R1031-N1035 PolarHBondContact O-ND2 3.39Å; K1032-N1035 PolarHBondContact O-N 3.35Å; N1035-R1038 PolarHBondContact O-N 2.83Å; N1035-L1039 WeakPolarHBondContact O-CB 3.49Å; N1035-L1039 PolarHBondContact O-N 3.04Å
1036M72.8Confident80.2Confident44 Ų4444.9 Ų44.922%0.21724%0.237CC..Hα-helixtrans-69.8-38.7174.2-171.4172.9117.600111.9A894 K1032 Y1034 L1039 F1040 F1063 Y1067A894-M1036 HydrophobicContact CB-CG 4.46Å; K1032-M1036 WeakPolarHBondContact O-CB 3.39Å; K1032-M1036 PolarHBondContact O-N 2.99Å; Y1034-M1036 PolarHBondContact O-N 2.96Å; M1036-L1039 PolarHBondContact O-N 3.2Å; M1036-F1040 HydrophobicContact CE-CE2 4.11Å; M1036-F1040 HydrophobicContact CG-CD2 4.23Å; M1036-F1040 HydrophobicContact CG-CE2 4.01Å; M1036-F1040 VanDerWaalsContact O-CD2 3.28Å; M1036-F1040 WeakPolarHBondContact O-CD2 3.36Å; M1036-F1040 PolarHBondContact O-N 3.2Å; M1036-F1063 HydrophobicContact CB-CE2 4.48Å; M1036-F1063 HydrophobicContact CB-CZ 3.87Å; M1036-F1063 HydrophobicContact CE-CE2 3.55Å; M1036-F1063 HydrophobicContact CE-CZ 3.62Å; M1036-F1063 HydrophobicContact CG-CE2 3.95Å; M1036-F1063 HydrophobicContact CG-CZ 3.77Å; M1036-F1063 HydrophobicContact SD-CZ 4.39Å; M1036-Y1067 HydrophobicContact CE-CD2 3.28Å; M1036-Y1067 HydrophobicContact CE-CE2 3.53Å; M1036-Y1067 HydrophobicContact CE-CG 4.25Å; M1036-Y1067 HydrophobicContact SD-CD2 4.09Å; M1036-Y1067 HydrophobicContact SD-CE2 3.68Å
1037F85.1Confident80.3Confident0 Ų044.9 Ų44.90%024%0.237CC..Hα-helixtrans-57.3-51.3170.3176.3-93.8000111.4A1033 Y1034 L1039 F1040 F1041 I1044 M1047 L1060 F1063 F1064A1033-F1037 PolarHBondContact O-N 2.85Å; Y1034-F1037 HydrophobicContact CD2-CD1 4.46Å; Y1034-F1037 HydrophobicContact CE2-CD1 4.32Å; Y1034-F1037 WeakPolarHBondContact O-CA 3.24Å; Y1034-F1037 WeakPolarHBondContact O-CB 3.31Å; Y1034-F1037 PolarHBondContact O-N 2.69Å; F1037-L1039 PolarHBondContact O-N 3.12Å; F1037-F1040 PolarHBondContact O-N 3.4Å; F1037-F1041 AromaticContact CD2-CD2 3.71Å; F1037-F1041 HydrophobicContact CD2-CD2 3.71Å; F1037-F1041 HydrophobicContact CD2-CE2 4.4Å; F1037-F1041 HydrophobicContact CE1-CB 4.07Å; F1037-F1041 HydrophobicContact CE2-CB 3.98Å; F1037-F1041 AromaticContact CE2-CD2 3.43Å; F1037-F1041 HydrophobicContact CE2-CD2 3.43Å; F1037-F1041 VanDerWaalsContact CE2-CD2 3.43Å; F1037-F1041 HydrophobicContact CE2-CE2 4.22Å; F1037-F1041 AromaticContact CE2-CG 3.9Å; F1037-F1041 HydrophobicContact CE2-CG 3.9Å; F1037-F1041 HydrophobicContact CG-CD2 4.5Å; F1037-F1041 HydrophobicContact CZ-CB 3.64Å; F1037-F1041 HydrophobicContact CZ-CD2 4.03Å; F1037-F1041 HydrophobicContact CZ-CG 4.06Å; F1037-F1041 PolarHBondContact O-N 2.85Å; F1037-I1044 HydrophobicContact CD1-CG1 4.3Å; F1037-I1044 HydrophobicContact CE1-CG1 3.86Å; F1037-M1047 HydrophobicContact CE1-CE 4.08Å; F1037-M1047 HydrophobicContact CZ-CE 3.52Å; F1037-M1047 HydrophobicContact CZ-SD 4.05Å; F1037-L1060 HydrophobicContact CD1-CD2 4.27Å; F1037-L1060 HydrophobicContact CD2-CD2 4.1Å; F1037-L1060 HydrophobicContact CE1-CD2 3.86Å; F1037-L1060 HydrophobicContact CE2-CD2 3.67Å; F1037-L1060 HydrophobicContact CE2-CG 4.22Å; F1037-L1060 HydrophobicContact CG-CD2 4.4Å; F1037-L1060 HydrophobicContact CZ-CD2 3.55Å; F1037-L1060 HydrophobicContact CZ-CG 4.11Å; F1037-F1063 HydrophobicContact CB-CD1 3.79Å; F1037-F1063 HydrophobicContact CB-CE1 3.64Å; F1037-F1063 HydrophobicContact CB-CG 4.37Å; F1037-F1063 HydrophobicContact CB-CZ 4.11Å; F1037-F1063 HydrophobicContact CD2-CB 3.8Å; F1037-F1063 AromaticContact CD2-CD1 3.66Å; F1037-F1063 HydrophobicContact CD2-CD1 3.66Å; F1037-F1063 HydrophobicContact CD2-CD2 4.46Å; F1037-F1063 HydrophobicContact CD2-CE1 4.39Å; F1037-F1063 AromaticContact CD2-CG 3.71Å; F1037-F1063 HydrophobicContact CD2-CG 3.71Å; F1037-F1063 HydrophobicContact CE2-CB 4.22Å; F1037-F1063 HydrophobicContact CG-CD1 4.21Å; F1037-F1063 VanDerWaalsContact N-CZ 3.34Å; F1037-F1064 HydrophobicContact CB-CZ 4.11Å; F1037-F1064 HydrophobicContact CD2-CE2 4.34Å; F1037-F1064 HydrophobicContact CG-CE2 4.45Å; F1037-F1064 HydrophobicContact CG-CZ 4.44Å
1038R83.7Confident80.5Confident130 Ų13045 Ų4549%0.49124%0.236SC..Hα-helixtrans-59.3-34.7-178.9-170.9-178.8-178.6156.43.4112.5Y1034 N1035 G1042Y1034-R1038 HydrophobicContact CE2-CB 4.25Å; Y1034-R1038 WeakPolarHBondContact O-CB 3.36Å; Y1034-R1038 PolarHBondContact O-N 3Å; N1035-R1038 PolarHBondContact O-N 2.83Å; R1038-G1042 WeakPolarHBondContact CA-O 3.38Å; R1038-G1042 WeakPolarHBondContact O-CA 3.39Å; R1038-G1042 PolarHBondContact O-N 2.56Å
1039L69.8Low80.8Confident75 Ų7547.7 Ų47.739%0.39325%0.253SS..Hα-helixtrans-69.9-29.1175.4-176.959.5000113.3A894 N1035 M1036 F1037A894-L1039 HydrophobicContact CB-CD2 3.87Å; A894-L1039 HydrophobicContact CB-CG 4.24Å; N1035-L1039 WeakPolarHBondContact O-CB 3.49Å; N1035-L1039 PolarHBondContact O-N 3.04Å; M1036-L1039 PolarHBondContact O-N 3.2Å; F1037-L1039 PolarHBondContact O-N 3.12Å
1040F72.2Confident80.9Confident62 Ų6250.5 Ų50.527%0.27227%0.272SS..Hα-helixtrans-86.6-36.4175.5-80.1-76.1000114P892 A894 M1036 F1037 F1063P892-F1040 WeakPolarHBondContact CD-O 3.34Å; P892-F1040 HydrophobicContact CG-CB 4.45Å; P892-F1040 HydrophobicContact CG-CD1 3.81Å; P892-F1040 HydrophobicContact CG-CG 4.42Å; P892-F1040 WeakPolarHBondContact O-CE1 3.21Å; A894-F1040 HydrophobicContact CB-CD1 4.26Å; A894-F1040 HydrophobicContact CB-CD2 3.71Å; A894-F1040 HydrophobicContact CB-CE1 3.78Å; A894-F1040 HydrophobicContact CB-CE2 3.16Å; A894-F1040 HydrophobicContact CB-CG 4.23Å; A894-F1040 HydrophobicContact CB-CZ 3.21Å; M1036-F1040 HydrophobicContact CE-CE2 4.11Å; M1036-F1040 HydrophobicContact CG-CD2 4.23Å; M1036-F1040 HydrophobicContact CG-CE2 4.01Å; M1036-F1040 VanDerWaalsContact O-CD2 3.28Å; M1036-F1040 WeakPolarHBondContact O-CD2 3.36Å; M1036-F1040 PolarHBondContact O-N 3.2Å; F1037-F1040 PolarHBondContact O-N 3.4Å; F1040-F1063 AromaticContact CD2-CD2 4Å; F1040-F1063 HydrophobicContact CD2-CD2 4Å; F1040-F1063 AromaticContact CD2-CE2 3.58Å; F1040-F1063 HydrophobicContact CD2-CE2 3.58Å; F1040-F1063 HydrophobicContact CE2-CD2 4.45Å; F1040-F1063 AromaticContact CE2-CE2 3.88Å; F1040-F1063 HydrophobicContact CE2-CE2 3.88Å
1041F76.8Confident80.5Confident46 Ų4652.4 Ų52.420%0.20228%0.283CS..Hα-helixtrans-127-7.1-164.6-62.9-74.4000115.8F1037 M1047 R1059 F1062 F1063F1037-F1041 AromaticContact CD2-CD2 3.71Å; F1037-F1041 HydrophobicContact CD2-CD2 3.71Å; F1037-F1041 HydrophobicContact CD2-CE2 4.4Å; F1037-F1041 HydrophobicContact CE1-CB 4.07Å; F1037-F1041 HydrophobicContact CE2-CB 3.98Å; F1037-F1041 AromaticContact CE2-CD2 3.43Å; F1037-F1041 HydrophobicContact CE2-CD2 3.43Å; F1037-F1041 VanDerWaalsContact CE2-CD2 3.43Å; F1037-F1041 HydrophobicContact CE2-CE2 4.22Å; F1037-F1041 AromaticContact CE2-CG 3.9Å; F1037-F1041 HydrophobicContact CE2-CG 3.9Å; F1037-F1041 HydrophobicContact CG-CD2 4.5Å; F1037-F1041 HydrophobicContact CZ-CB 3.64Å; F1037-F1041 HydrophobicContact CZ-CD2 4.03Å; F1037-F1041 HydrophobicContact CZ-CG 4.06Å; F1037-F1041 PolarHBondContact O-N 2.85Å; F1041-M1047 HydrophobicContact CB-SD 3.98Å; F1041-R1059 HydrophobicContact CD1-CB 4.13Å; F1041-R1059 HydrophobicContact CD1-CG 4Å; F1041-R1059 HydrophobicContact CE1-CB 4.35Å; F1041-R1059 HydrophobicContact CE1-CG 4.13Å; F1041-R1059 HydrophobicContact CG-CB 4.44Å; F1041-F1062 AromaticContact CZ-CD1 3.84Å; F1041-F1062 HydrophobicContact CZ-CD1 3.84Å; F1041-F1062 HydrophobicContact CZ-CE1 4.16Å; F1041-F1063 HydrophobicContact CE2-CB 3.92Å; F1041-F1063 HydrophobicContact CE2-CD2 4.07Å; F1041-F1063 HydrophobicContact CE2-CG 4.32Å
1042G80.6Confident80.3Confident32 Ų3250 Ų5033%0.3328%0.284SS..  trans85.4-176.1-170.200000113.3R1038R1038-G1042 WeakPolarHBondContact CA-O 3.38Å; R1038-G1042 WeakPolarHBondContact O-CA 3.39Å; R1038-G1042 PolarHBondContact O-N 2.56Å
1043G83.5Confident80.5Confident10 Ų1045.9 Ų45.910%0.10327%0.268CS..  trans-68.9147.5175.800000112.1E1000 S1046 M1047E1000-G1043 WeakPolarHBondContact OE1-CA 3.42Å; G1043-S1046 PolarHBondContact O-N 3.14Å; G1043-M1047 VanDerWaalsContact O-CB 3.29Å; G1043-M1047 WeakPolarHBondContact O-CB 3.43Å; G1043-M1047 PolarHBondContact O-N 3.25Å
1044I88.7Confident80.5Confident0 Ų051.4 Ų51.40%029%0.294CS..Hα-helixtrans-64.2-48.5-177.8-57.2-179.7000110.1V931 F948 I999 E1000 F1003 Y1034 F1037 S1046 M1047 V1048 T1056 L1060V931-I1044 HydrophobicContact CG1-CD1 4.14Å; F948-I1044 HydrophobicContact CD1-CG2 4.46Å; I999-I1044 HydrophobicContact CD1-CD1 3.56Å; E1000-I1044 WeakPolarHBondContact OE2-CA 3.27Å; E1000-I1044 PolarHBondContact OE2-N 3.23Å; F1003-I1044 HydrophobicContact CD1-CB 4.44Å; F1003-I1044 HydrophobicContact CD1-CG2 3.85Å; F1003-I1044 HydrophobicContact CE1-CG2 3.57Å; F1003-I1044 HydrophobicContact CE2-CG2 4.36Å; F1003-I1044 HydrophobicContact CG-CG2 4.36Å; F1003-I1044 HydrophobicContact CZ-CG2 3.85Å; Y1034-I1044 HydrophobicContact CE2-CD1 4.22Å; Y1034-I1044 HydrophobicContact CE2-CG1 4.2Å; F1037-I1044 HydrophobicContact CD1-CG1 4.3Å; F1037-I1044 HydrophobicContact CE1-CG1 3.86Å; I1044-S1046 VanDerWaalsContact C-N 3.3Å; I1044-S1046 PolarHBondContact O-N 3.28Å; I1044-M1047 CarbonylContact O-C 3.41Å; I1044-M1047 WeakPolarHBondContact O-CA 3.2Å; I1044-M1047 WeakPolarHBondContact O-CB 3.27Å; I1044-M1047 PolarHBondContact O-N 2.77Å; I1044-V1048 HydrophobicContact CG2-CG2 4.43Å; I1044-V1048 WeakPolarHBondContact O-CG2 3.42Å; I1044-V1048 PolarHBondContact O-N 3.36Å; I1044-T1056 HydrophobicContact CG2-CG2 3.97Å; I1044-L1060 HydrophobicContact CD1-CD2 3.88Å; I1044-L1060 HydrophobicContact CG1-CD2 4.25Å
1045S85.5Confident80Confident44 Ų4454.7 Ų54.731%0.30831%0.309SS..Hα-helixtrans-55.6-44.9175.8-63.10000112E1000 F1003 M1047 V1048 V1049E1000-S1045 PolarHBondContact OE2-N 3.22Å; E1000-S1045 PolarHBondContact OE2-OG 3.05Å; F1003-S1045 WeakPolarHBondContact CD2-OG 3.28Å; F1003-S1045 WeakPolarHBondContact CE2-OG 3.06Å; S1045-M1047 VanDerWaalsContact C-N 3.31Å; S1045-M1047 PolarHBondContact O-N 3.24Å; S1045-V1048 PolarHBondContact O-N 2.99Å; S1045-V1049 WeakPolarHBondContact O-CG2 3.26Å; S1045-V1049 PolarHBondContact O-N 2.91Å
1046S82.2Confident80.2Confident77 Ų7750.2 Ų50.254%0.53829%0.285SS..Hα-helixtrans-65.4-34.6176.7-179.50000112.1G1043 I1044 S1050G1043-S1046 PolarHBondContact O-N 3.14Å; I1044-S1046 VanDerWaalsContact C-N 3.3Å; I1044-S1046 PolarHBondContact O-N 3.28Å; S1046-S1050 VanDerWaalsContact O-CB 3.27Å; S1046-S1050 WeakPolarHBondContact O-CB 3.44Å; S1046-S1050 PolarHBondContact O-N 3.25Å; S1046-S1050 PolarHBondContact O-OG 2.77Å
1047M84.5Confident80.9Confident3 Ų349.8 Ų49.82%0.01528%0.282CS..Hα-helixtrans-74.4-39.6178.9-164.4175.458.300112.2F1037 F1041 G1043 I1044 S1045 V1049 S1050 V1051 G1052 T1056 R1059F1037-M1047 HydrophobicContact CE1-CE 4.08Å; F1037-M1047 HydrophobicContact CZ-CE 3.52Å; F1037-M1047 HydrophobicContact CZ-SD 4.05Å; F1041-M1047 HydrophobicContact CB-SD 3.98Å; G1043-M1047 VanDerWaalsContact O-CB 3.29Å; G1043-M1047 WeakPolarHBondContact O-CB 3.43Å; G1043-M1047 PolarHBondContact O-N 3.25Å; I1044-M1047 CarbonylContact O-C 3.41Å; I1044-M1047 WeakPolarHBondContact O-CA 3.2Å; I1044-M1047 WeakPolarHBondContact O-CB 3.27Å; I1044-M1047 PolarHBondContact O-N 2.77Å; S1045-M1047 VanDerWaalsContact C-N 3.31Å; S1045-M1047 PolarHBondContact O-N 3.24Å; M1047-V1049 VanDerWaalsContact C-N 3.28Å; M1047-V1049 PolarHBondContact O-N 3.07Å; M1047-S1050 PolarHBondContact O-N 3.03Å; M1047-V1051 HydrophobicContact CB-CG2 4.48Å; M1047-V1051 HydrophobicContact CG-CG2 3.43Å; M1047-V1051 VanDerWaalsContact CG-CG2 3.43Å; M1047-V1051 WeakPolarHBondContact O-CG2 3.46Å; M1047-V1051 PolarHBondContact O-N 3.23Å; M1047-G1052 PolarHBondContact O-N 2.9Å; M1047-T1056 VanDerWaalsContact C-OG1 3.23Å; M1047-T1056 HydrophobicContact CE-CG2 3.4Å; M1047-T1056 VanDerWaalsContact CE-CG2 3.4Å; M1047-T1056 PolarHBondContact O-OG1 3.35Å; M1047-R1059 HydrophobicContact CE-CB 4.2Å; M1047-R1059 HydrophobicContact SD-CB 3.91Å; M1047-R1059 WeakPolarHBondContact SD-CD 3.47Å; M1047-R1059 HydrophobicContact SD-CG 4.24Å
1048V84Confident80.7Confident16 Ų1654.1 Ų54.110%0.09730%0.302CS..Hα-helixtrans-60.8-40.7173.7-178.50000110.8Y936 F948 F1003 I1044 S1045 G1052 L1053 T1056Y936-V1048 HydrophobicContact CE1-CG1 4.09Å; Y936-V1048 WeakPolarHBondContact OH-CG1 3.26Å; F948-V1048 HydrophobicContact CE1-CG2 3.74Å; F948-V1048 HydrophobicContact CZ-CG2 4.49Å; F1003-V1048 HydrophobicContact CZ-CG2 4.44Å; I1044-V1048 HydrophobicContact CG2-CG2 4.43Å; I1044-V1048 WeakPolarHBondContact O-CG2 3.42Å; I1044-V1048 PolarHBondContact O-N 3.36Å; S1045-V1048 PolarHBondContact O-N 2.99Å; V1048-G1052 CarbonylContact O-C 3.59Å; V1048-G1052 WeakPolarHBondContact O-CA 3.23Å; V1048-G1052 PolarHBondContact O-N 3.01Å; V1048-L1053 HydrophobicContact CG1-CB 4.32Å; V1048-T1056 WeakPolarHBondContact CA-OG1 3.45Å; V1048-T1056 HydrophobicContact CG2-CG2 3.56Å; V1048-T1056 PolarHBondContact N-OG1 2.75Å
1049V80.9Confident80.7Confident131 Ų13149.4 Ų49.479%0.79428%0.284SS*.Hα-helixtrans-69.6-41176.7173.90000112.5S1045 M1047S1045-V1049 WeakPolarHBondContact O-CG2 3.26Å; S1045-V1049 PolarHBondContact O-N 2.91Å; M1047-V1049 VanDerWaalsContact C-N 3.28Å; M1047-V1049 PolarHBondContact O-N 3.07Å
1050S76.4Confident81.6Confident75 Ų7545.8 Ų45.852%0.52427%0.266SS..Hα-helixtrans-90.9-22.9-170.8590000115.9S1046 M1047S1046-S1050 VanDerWaalsContact O-CB 3.27Å; S1046-S1050 WeakPolarHBondContact O-CB 3.44Å; S1046-S1050 PolarHBondContact O-N 3.25Å; S1046-S1050 PolarHBondContact O-OG 2.77Å; M1047-S1050 PolarHBondContact O-N 3.03Å
1051V77.4Confident82.1Confident45 Ų4546.3 Ų46.327%0.27327%0.269SS..Hα-helixtrans-134.83.7178.7-63.70000114M1047 H1055M1047-V1051 HydrophobicContact CB-CG2 4.48Å; M1047-V1051 HydrophobicContact CG-CG2 3.43Å; M1047-V1051 VanDerWaalsContact CG-CG2 3.43Å; M1047-V1051 WeakPolarHBondContact O-CG2 3.46Å; M1047-V1051 PolarHBondContact O-N 3.23Å; V1051-H1055 HydrophobicContact CB-CB 4.19Å; V1051-H1055 HydrophobicContact CG2-CB 4.19Å; V1051-H1055 VanDerWaalsContact O-CB 3.25Å; V1051-H1055 WeakPolarHBondContact O-CB 3.47Å
1052G79.5Confident82.1Confident31 Ų3151.4 Ų51.432%0.3229%0.291SS..Hα-helixtrans85.3163.1177.600000114.4M1047 V1048 E1054 T1056M1047-G1052 PolarHBondContact O-N 2.9Å; V1048-G1052 CarbonylContact O-C 3.59Å; V1048-G1052 WeakPolarHBondContact O-CA 3.23Å; V1048-G1052 PolarHBondContact O-N 3.01Å; G1052-E1054 PolarHBondContact O-N 3.13Å; G1052-T1056 VanDerWaalsContact O-CB 3.27Å; G1052-T1056 WeakPolarHBondContact O-CB 3.04Å; G1052-T1056 PolarHBondContact O-N 2.7Å; G1052-T1056 PolarHBondContact O-OG1 2.87Å
1053L79.7Confident82.3Confident41 Ų4150.5 Ų50.522%0.21528%0.278CS..Hα-helixtrans-60.5-43.7-178.7178.758.1000112.6Y936 F948 V1048 T1056 K1057Y936-L1053 HydrophobicContact CD1-CD1 4.29Å; Y936-L1053 HydrophobicContact CD1-CD2 4.27Å; Y936-L1053 HydrophobicContact CE1-CD1 4.32Å; F948-L1053 HydrophobicContact CD1-CD1 3.92Å; F948-L1053 HydrophobicContact CE1-CD1 3.18Å; F948-L1053 HydrophobicContact CE2-CD1 4.22Å; F948-L1053 HydrophobicContact CZ-CD1 3.37Å; V1048-L1053 HydrophobicContact CG1-CB 4.32Å; L1053-T1056 VanDerWaalsContact O-CB 3.28Å; L1053-T1056 WeakPolarHBondContact O-CB 3.4Å; L1053-T1056 PolarHBondContact O-N 2.85Å; L1053-K1057 PolarHBondContact O-N 3.13Å
1054E78.8Confident82.5Confident117 Ų11750.1 Ų50.155%0.54727%0.274SS..Hα-helixtrans-72-43.2-174.5-171.649.5-140.700112.2G1052 T1056 K1057 Q1058G1052-E1054 PolarHBondContact O-N 3.13Å; E1054-T1056 PolarHBondContact O-N 2.97Å; E1054-K1057 PolarHBondContact O-N 3.43Å; E1054-Q1058 VanDerWaalsContact O-CG 3.3Å; E1054-Q1058 WeakPolarHBondContact O-CG 3.26Å; E1054-Q1058 PolarHBondContact O-N 2.64Å
1055H76.5Confident81.9Confident76 Ų7652.8 Ų52.835%0.35229%0.288SS..Hα-helixtrans-68.3-25.1173.7-15661.3000112.1V1051 Q1058 R1059V1051-H1055 HydrophobicContact CB-CB 4.19Å; V1051-H1055 HydrophobicContact CG2-CB 4.19Å; V1051-H1055 VanDerWaalsContact O-CB 3.25Å; V1051-H1055 WeakPolarHBondContact O-CB 3.47Å; H1055-Q1058 PolarHBondContact ND1-OE1 3.05Å; H1055-Q1058 VanDerWaalsContact ND1-OE1 3.13Å; H1055-R1059 PolarHBondContact CD2-NE 2.98Å; H1055-R1059 PolarHBondContact CD2-NH2 3.15Å; H1055-R1059 PolarHBondContact NE2-NE 2.98Å; H1055-R1059 VanDerWaalsContact NE2-NE 3.13Å; H1055-R1059 PolarHBondContact NE2-NH2 3.14Å; H1055-R1059 VanDerWaalsContact O-CG 3.27Å; H1055-R1059 WeakPolarHBondContact O-CG 3.47Å; H1055-R1059 PolarHBondContact O-N 3.41Å; H1055-R1059 VanDerWaalsContact O-N 3.1Å
1056T85.3Confident81.1Confident0 Ų060.3 Ų60.30%031%0.31CS..Hα-helixtrans-66.4-50.5169.1-68.50000111.5F948 I1044 M1047 V1048 G1052 L1053 E1054 Q1058 R1059 L1060F948-T1056 HydrophobicContact CD1-CG2 4.07Å; F948-T1056 HydrophobicContact CE1-CG2 4.22Å; I1044-T1056 HydrophobicContact CG2-CG2 3.97Å; M1047-T1056 VanDerWaalsContact C-OG1 3.23Å; M1047-T1056 HydrophobicContact CE-CG2 3.4Å; M1047-T1056 VanDerWaalsContact CE-CG2 3.4Å; M1047-T1056 PolarHBondContact O-OG1 3.35Å; V1048-T1056 WeakPolarHBondContact CA-OG1 3.45Å; V1048-T1056 HydrophobicContact CG2-CG2 3.56Å; V1048-T1056 PolarHBondContact N-OG1 2.75Å; G1052-T1056 VanDerWaalsContact O-CB 3.27Å; G1052-T1056 WeakPolarHBondContact O-CB 3.04Å; G1052-T1056 PolarHBondContact O-N 2.7Å; G1052-T1056 PolarHBondContact O-OG1 2.87Å; L1053-T1056 VanDerWaalsContact O-CB 3.28Å; L1053-T1056 WeakPolarHBondContact O-CB 3.4Å; L1053-T1056 PolarHBondContact O-N 2.85Å; E1054-T1056 PolarHBondContact O-N 2.97Å; T1056-Q1058 VanDerWaalsContact C-N 3.35Å; T1056-Q1058 PolarHBondContact O-N 3.18Å; T1056-R1059 PolarHBondContact O-N 2.9Å; T1056-L1060 HydrophobicContact CG2-CD1 4.03Å; T1056-L1060 WeakPolarHBondContact O-CG 3.2Å; T1056-L1060 PolarHBondContact O-N 3.27Å
1057K87.1Confident80.8Confident34 Ų3459 Ų5915%0.14829%0.293CS..Hα-helixtrans-53.8-50.6173.3-73.5-178.8167.3-177.70110.4E944 L947 L1053 E1054 R1059 L1060 E1061E944-K1057 PolarHBondContact O-NZ 3.05Å; L947-K1057 VanDerWaalsContact O-CE 3.27Å; L947-K1057 WeakPolarHBondContact O-CE 3.33Å; L947-K1057 PolarHBondContact O-NZ 3.13Å; L1053-K1057 PolarHBondContact O-N 3.13Å; E1054-K1057 PolarHBondContact O-N 3.43Å; K1057-R1059 VanDerWaalsContact C-N 3.34Å; K1057-R1059 PolarHBondContact O-N 3.22Å; K1057-L1060 PolarHBondContact O-N 3.32Å; K1057-E1061 WeakPolarHBondContact O-CB 3.3Å; K1057-E1061 VanDerWaalsContact O-CG 3.31Å; K1057-E1061 WeakPolarHBondContact O-CG 3.34Å; K1057-E1061 PolarHBondContact O-N 3.03Å
1058Q81Confident80.4Confident91 Ų9158.9 Ų58.943%0.42529%0.293SS..Hα-helixtrans-56.6-38.4177.7-69.4168.69.200114.4E1054 H1055 T1056 F1062E1054-Q1058 VanDerWaalsContact O-CG 3.3Å; E1054-Q1058 WeakPolarHBondContact O-CG 3.26Å; E1054-Q1058 PolarHBondContact O-N 2.64Å; H1055-Q1058 PolarHBondContact ND1-OE1 3.05Å; H1055-Q1058 VanDerWaalsContact ND1-OE1 3.13Å; T1056-Q1058 VanDerWaalsContact C-N 3.35Å; T1056-Q1058 PolarHBondContact O-N 3.18Å; Q1058-F1062 WeakPolarHBondContact O-CB 3.49Å; Q1058-F1062 PolarHBondContact O-N 3.04Å
1059R84.5Confident79.6Confident31 Ų3160.8 Ų60.812%0.11731%0.306CS..Hα-helixtrans-74.3-42178.8-74.6170.8178.6-154.62.9112.7F1041 M1047 H1055 T1056 K1057 E1061 F1062 F1063F1041-R1059 HydrophobicContact CD1-CB 4.13Å; F1041-R1059 HydrophobicContact CD1-CG 4Å; F1041-R1059 HydrophobicContact CE1-CB 4.35Å; F1041-R1059 HydrophobicContact CE1-CG 4.13Å; F1041-R1059 HydrophobicContact CG-CB 4.44Å; M1047-R1059 HydrophobicContact CE-CB 4.2Å; M1047-R1059 HydrophobicContact SD-CB 3.91Å; M1047-R1059 WeakPolarHBondContact SD-CD 3.47Å; M1047-R1059 HydrophobicContact SD-CG 4.24Å; H1055-R1059 PolarHBondContact CD2-NE 2.98Å; H1055-R1059 PolarHBondContact CD2-NH2 3.15Å; H1055-R1059 PolarHBondContact NE2-NE 2.98Å; H1055-R1059 VanDerWaalsContact NE2-NE 3.13Å; H1055-R1059 PolarHBondContact NE2-NH2 3.14Å; H1055-R1059 VanDerWaalsContact O-CG 3.27Å; H1055-R1059 WeakPolarHBondContact O-CG 3.47Å; H1055-R1059 PolarHBondContact O-N 3.41Å; H1055-R1059 VanDerWaalsContact O-N 3.1Å; T1056-R1059 PolarHBondContact O-N 2.9Å; K1057-R1059 VanDerWaalsContact C-N 3.34Å; K1057-R1059 PolarHBondContact O-N 3.22Å; R1059-E1061 VanDerWaalsContact C-N 3.28Å; R1059-E1061 PolarHBondContact O-N 3.36Å; R1059-F1062 PolarHBondContact O-N 3.07Å; R1059-F1063 WeakPolarHBondContact O-CB 3.49Å; R1059-F1063 PolarHBondContact O-N 3.11Å; R1059-F1063 VanDerWaalsContact O-N 3.1Å
1060L88.3Confident78.7Confident0 Ų058.2 Ų58.20%029%0.294CS..Hα-helixtrans-57.9-45.1171.5-67.1166.1000110.3V931 F948 F1037 I1044 T1056 K1057 F1063 F1064V931-L1060 HydrophobicContact CG2-CD2 4.46Å; F948-L1060 HydrophobicContact CB-CD1 3.92Å; F948-L1060 HydrophobicContact CD1-CD1 4.23Å; F1037-L1060 HydrophobicContact CD1-CD2 4.27Å; F1037-L1060 HydrophobicContact CD2-CD2 4.1Å; F1037-L1060 HydrophobicContact CE1-CD2 3.86Å; F1037-L1060 HydrophobicContact CE2-CD2 3.67Å; F1037-L1060 HydrophobicContact CE2-CG 4.22Å; F1037-L1060 HydrophobicContact CG-CD2 4.4Å; F1037-L1060 HydrophobicContact CZ-CD2 3.55Å; F1037-L1060 HydrophobicContact CZ-CG 4.11Å; I1044-L1060 HydrophobicContact CD1-CD2 3.88Å; I1044-L1060 HydrophobicContact CG1-CD2 4.25Å; T1056-L1060 HydrophobicContact CG2-CD1 4.03Å; T1056-L1060 WeakPolarHBondContact O-CG 3.2Å; T1056-L1060 PolarHBondContact O-N 3.27Å; K1057-L1060 PolarHBondContact O-N 3.32Å; L1060-F1063 PolarHBondContact O-N 3.42Å; L1060-F1064 HydrophobicContact CB-CD2 4.41Å; L1060-F1064 HydrophobicContact CD2-CD2 4.33Å; L1060-F1064 HydrophobicContact CD2-CE2 3.8Å; L1060-F1064 WeakPolarHBondContact O-CD2 3.27Å; L1060-F1064 PolarHBondContact O-N 3.43Å
1061E82.7Confident78.1Confident72 Ų7255.7 Ų55.734%0.33627%0.274SS..Hα-helixtrans-61.9-45.3177.1-77.3-157.4132.600114.1Y949 K953 K1057 R1059 F1063 N1065Y949-E1061 HydrophobicContact CD2-CB 4.43Å; Y949-E1061 HydrophobicContact CD2-CG 3.88Å; Y949-E1061 HydrophobicContact CE2-CB 4.43Å; Y949-E1061 HydrophobicContact CE2-CG 4.17Å; K953-E1061 WeakPolarHBondContact CE-OE1 3.24Å; K953-E1061 IonicContact NZ-OE1 2.75Å; K953-E1061 PolarHBondContact NZ-OE1 2.95Å; K953-E1061 IonicContact NZ-OE2 3.83Å; K953-E1061 PolarHBondContact NZ-OE2 3.29Å; K1057-E1061 WeakPolarHBondContact O-CB 3.3Å; K1057-E1061 VanDerWaalsContact O-CG 3.31Å; K1057-E1061 WeakPolarHBondContact O-CG 3.34Å; K1057-E1061 PolarHBondContact O-N 3.03Å; R1059-E1061 VanDerWaalsContact C-N 3.28Å; R1059-E1061 PolarHBondContact O-N 3.36Å; E1061-F1063 VanDerWaalsContact C-N 3.32Å; E1061-F1063 PolarHBondContact O-N 3.34Å; E1061-N1065 VanDerWaalsContact O-CB 3.26Å; E1061-N1065 WeakPolarHBondContact O-CB 3.48Å; E1061-N1065 PolarHBondContact O-N 3.38Å
1062F76.7Confident77.3Confident154 Ų15459.4 Ų59.468%0.67528%0.283SS*.Hα-helixtrans-60.6-42.7177.2172.1-94.1000111.6F1041 Q1058 R1059F1041-F1062 AromaticContact CZ-CD1 3.84Å; F1041-F1062 HydrophobicContact CZ-CD1 3.84Å; F1041-F1062 HydrophobicContact CZ-CE1 4.16Å; Q1058-F1062 WeakPolarHBondContact O-CB 3.49Å; Q1058-F1062 PolarHBondContact O-N 3.04Å; R1059-F1062 PolarHBondContact O-N 3.07Å
1063F85.9Confident76.3Confident13 Ų1358.2 Ų58.26%0.05727%0.27CS..Hα-helixtrans-73.4-59.8-177.3179.5-98.6000112.8A1033 M1036 F1037 F1040 F1041 R1059 L1060 E1061 N1065 R1066 Y1067A1033-F1063 WeakPolarHBondContact O-CE1 3.48Å; M1036-F1063 HydrophobicContact CB-CE2 4.48Å; M1036-F1063 HydrophobicContact CB-CZ 3.87Å; M1036-F1063 HydrophobicContact CE-CE2 3.55Å; M1036-F1063 HydrophobicContact CE-CZ 3.62Å; M1036-F1063 HydrophobicContact CG-CE2 3.95Å; M1036-F1063 HydrophobicContact CG-CZ 3.77Å; M1036-F1063 HydrophobicContact SD-CZ 4.39Å; F1037-F1063 HydrophobicContact CB-CD1 3.79Å; F1037-F1063 HydrophobicContact CB-CE1 3.64Å; F1037-F1063 HydrophobicContact CB-CG 4.37Å; F1037-F1063 HydrophobicContact CB-CZ 4.11Å; F1037-F1063 HydrophobicContact CD2-CB 3.8Å; F1037-F1063 AromaticContact CD2-CD1 3.66Å; F1037-F1063 HydrophobicContact CD2-CD1 3.66Å; F1037-F1063 HydrophobicContact CD2-CD2 4.46Å; F1037-F1063 HydrophobicContact CD2-CE1 4.39Å; F1037-F1063 AromaticContact CD2-CG 3.71Å; F1037-F1063 HydrophobicContact CD2-CG 3.71Å; F1037-F1063 HydrophobicContact CE2-CB 4.22Å; F1037-F1063 HydrophobicContact CG-CD1 4.21Å; F1037-F1063 VanDerWaalsContact N-CZ 3.34Å; F1040-F1063 AromaticContact CD2-CD2 4Å; F1040-F1063 HydrophobicContact CD2-CD2 4Å; F1040-F1063 AromaticContact CD2-CE2 3.58Å; F1040-F1063 HydrophobicContact CD2-CE2 3.58Å; F1040-F1063 HydrophobicContact CE2-CD2 4.45Å; F1040-F1063 AromaticContact CE2-CE2 3.88Å; F1040-F1063 HydrophobicContact CE2-CE2 3.88Å; F1041-F1063 HydrophobicContact CE2-CB 3.92Å; F1041-F1063 HydrophobicContact CE2-CD2 4.07Å; F1041-F1063 HydrophobicContact CE2-CG 4.32Å; R1059-F1063 WeakPolarHBondContact O-CB 3.49Å; R1059-F1063 PolarHBondContact O-N 3.11Å; R1059-F1063 VanDerWaalsContact O-N 3.1Å; L1060-F1063 PolarHBondContact O-N 3.42Å; E1061-F1063 VanDerWaalsContact C-N 3.32Å; E1061-F1063 PolarHBondContact O-N 3.34Å; F1063-N1065 VanDerWaalsContact C-N 3.34Å; F1063-N1065 PolarHBondContact O-N 2.95Å; F1063-R1066 PolarHBondContact O-N 2.92Å; F1063-Y1067 HydrophobicContact CE1-CG 4.28Å; F1063-Y1067 HydrophobicContact CZ-CD2 4.46Å; F1063-Y1067 HydrophobicContact CZ-CG 4.28Å; F1063-Y1067 PolarHBondContact O-N 3.23Å
1064F86.3Confident74.8Confident1 Ų159 Ų590%0.00428%0.278CS..Hα-helixtrans-70.9-27.9-169-74-61.3000113F929 V931 Y949 L1005 A1033 F1037 L1060 R1066 Y1067 V1068F929-F1064 HydrophobicContact CE1-CB 4.22Å; F929-F1064 AromaticContact CE1-CD1 3.67Å; F929-F1064 HydrophobicContact CE1-CD1 3.67Å; F929-F1064 HydrophobicContact CE1-CD2 4.29Å; F929-F1064 HydrophobicContact CE1-CE1 4.06Å; F929-F1064 AromaticContact CE1-CG 3.81Å; F929-F1064 HydrophobicContact CE1-CG 3.81Å; F929-F1064 AromaticContact CZ-CD1 3.58Å; F929-F1064 HydrophobicContact CZ-CD1 3.58Å; F929-F1064 AromaticContact CZ-CE1 3.7Å; F929-F1064 HydrophobicContact CZ-CE1 3.7Å; F929-F1064 HydrophobicContact CZ-CG 4.22Å; F929-F1064 HydrophobicContact CZ-CZ 4.39Å; V931-F1064 HydrophobicContact CG2-CE2 4.12Å; Y949-F1064 HydrophobicContact CD1-CB 3.97Å; Y949-F1064 HydrophobicContact CD1-CD2 4.01Å; Y949-F1064 HydrophobicContact CD1-CG 4.24Å; Y949-F1064 HydrophobicContact CE1-CB 3.31Å; Y949-F1064 HydrophobicContact CE1-CD2 4.24Å; Y949-F1064 HydrophobicContact CE1-CG 4.01Å; Y949-F1064 HydrophobicContact CE2-CB 4.1Å; Y949-F1064 HydrophobicContact CG-CD2 4.34Å; Y949-F1064 WeakPolarHBondContact OH-CB 3.44Å; L1005-F1064 HydrophobicContact CD1-CZ 4.16Å; A1033-F1064 HydrophobicContact CB-CE1 3.99Å; F1037-F1064 HydrophobicContact CB-CZ 4.11Å; F1037-F1064 HydrophobicContact CD2-CE2 4.34Å; F1037-F1064 HydrophobicContact CG-CE2 4.45Å; F1037-F1064 HydrophobicContact CG-CZ 4.44Å; L1060-F1064 HydrophobicContact CB-CD2 4.41Å; L1060-F1064 HydrophobicContact CD2-CD2 4.33Å; L1060-F1064 HydrophobicContact CD2-CE2 3.8Å; L1060-F1064 WeakPolarHBondContact O-CD2 3.27Å; L1060-F1064 PolarHBondContact O-N 3.43Å; F1064-R1066 VanDerWaalsContact C-N 3.29Å; F1064-R1066 PolarHBondContact O-N 2.88Å; F1064-Y1067 PolarHBondContact O-N 3.42Å; F1064-V1068 HydrophobicContact CB-CG2 4.47Å; F1064-V1068 WeakPolarHBondContact O-CB 3.2Å; F1064-V1068 WeakPolarHBondContact O-CG2 3.07Å; F1064-V1068 PolarHBondContact O-N 3.1Å
1065N76.7Confident73.2Confident56 Ų5654.6 Ų54.630%0.29926%0.259SS..Hα-helixtrans-54.3-46.8171.4-92.7-1.7000111.7Y949 K953 E1061 F1063 C1069Y949-N1065 PolarHBondContact OH-N 2.91Å; Y949-N1065 PolarHBondContact OH-OD1 3.38Å; K953-N1065 VanDerWaalsContact CE-ND2 3.25Å; K953-N1065 WeakPolarHBondContact CE-ND2 3.28Å; K953-N1065 WeakPolarHBondContact CE-OD1 3.5Å; E1061-N1065 VanDerWaalsContact O-CB 3.26Å; E1061-N1065 WeakPolarHBondContact O-CB 3.48Å; E1061-N1065 PolarHBondContact O-N 3.38Å; F1063-N1065 VanDerWaalsContact C-N 3.34Å; F1063-N1065 PolarHBondContact O-N 2.95Å; N1065-C1069 WeakPolarHBondContact O-CB 3.2Å; N1065-C1069 PolarHBondContact O-SG 3.36Å
1066R68Low71.5Confident203 Ų20356 Ų5677%0.76627%0.272SS*.Hα-helixtrans-77.7-36.1-178.8-167.9171.3-176.1139.11.1111.6F1063 F1064 S1070F1063-R1066 PolarHBondContact O-N 2.92Å; F1064-R1066 VanDerWaalsContact C-N 3.29Å; F1064-R1066 PolarHBondContact O-N 2.88Å; R1066-S1070 WeakPolarHBondContact O-CB 3.39Å; R1066-S1070 PolarHBondContact O-N 3.21Å; R1066-S1070 PolarHBondContact O-OG 3.29Å
1067Y75.6Confident69.3Low48 Ų4861.8 Ų61.819%0.18830%0.303CS..Hα-helixtrans-70.4-52.2-179.4-169.1-111.8000112.8A1033 M1036 F1063 F1064 C1069 S1070 M1071A1033-Y1067 VanDerWaalsContact CA-CE1 3.45Å; A1033-Y1067 HydrophobicContact CB-CD1 3.88Å; A1033-Y1067 HydrophobicContact CB-CE1 3.36Å; M1036-Y1067 HydrophobicContact CE-CD2 3.28Å; M1036-Y1067 HydrophobicContact CE-CE2 3.53Å; M1036-Y1067 HydrophobicContact CE-CG 4.25Å; M1036-Y1067 HydrophobicContact SD-CD2 4.09Å; M1036-Y1067 HydrophobicContact SD-CE2 3.68Å; F1063-Y1067 HydrophobicContact CE1-CG 4.28Å; F1063-Y1067 HydrophobicContact CZ-CD2 4.46Å; F1063-Y1067 HydrophobicContact CZ-CG 4.28Å; F1063-Y1067 PolarHBondContact O-N 3.23Å; F1064-Y1067 PolarHBondContact O-N 3.42Å; Y1067-C1069 VanDerWaalsContact C-N 3.32Å; Y1067-C1069 PolarHBondContact O-N 3.42Å; Y1067-S1070 CarbonylContact O-C 3.55Å; Y1067-S1070 WeakPolarHBondContact O-CA 3.34Å; Y1067-S1070 PolarHBondContact O-N 2.85Å; Y1067-M1071 HydrophobicContact CD1-CE 3.99Å; Y1067-M1071 HydrophobicContact CE1-CE 3.4Å; Y1067-M1071 VanDerWaalsContact CE1-CE 3.4Å; Y1067-M1071 PolarHBondContact O-N 3.41Å
1068V77.1Confident67.1Low1 Ų160.9 Ų60.91%0.00630%0.299CS..Hα-helixtrans-62.3-38.6-177.3176.70000111.5L926 F929 F951 F1064 S1070 M1071L926-V1068 HydrophobicContact CD2-CG1 3.54Å; F929-V1068 HydrophobicContact CD1-CG2 4.17Å; F929-V1068 HydrophobicContact CD2-CG2 4.2Å; F929-V1068 HydrophobicContact CE1-CG2 4.12Å; F929-V1068 HydrophobicContact CE2-CG2 4.13Å; F929-V1068 HydrophobicContact CG-CG2 4.22Å; F929-V1068 HydrophobicContact CZ-CG2 4.09Å; F951-V1068 HydrophobicContact CD1-CG1 3.79Å; F951-V1068 HydrophobicContact CD2-CG1 4.42Å; F951-V1068 HydrophobicContact CE1-CG1 3.65Å; F951-V1068 HydrophobicContact CE2-CG1 4.29Å; F951-V1068 HydrophobicContact CG-CG1 4.18Å; F951-V1068 HydrophobicContact CZ-CG1 3.92Å; F1064-V1068 HydrophobicContact CB-CG2 4.47Å; F1064-V1068 WeakPolarHBondContact O-CB 3.2Å; F1064-V1068 WeakPolarHBondContact O-CG2 3.07Å; F1064-V1068 PolarHBondContact O-N 3.1Å; V1068-S1070 PolarHBondContact O-N 3.13Å; V1068-M1071 PolarHBondContact O-N 2.95Å
1069C67.5Low65Low56 Ų5660.4 Ų60.438%0.37830%0.3SS..THydrogen-bonded Turntrans-71.2-9.4174.8-61.50000114.6N1065 Y1067N1065-C1069 WeakPolarHBondContact O-CB 3.2Å; N1065-C1069 PolarHBondContact O-SG 3.36Å; Y1067-C1069 VanDerWaalsContact C-N 3.32Å; Y1067-C1069 PolarHBondContact O-N 3.42Å
1070S61.2Low62.9Low77 Ų7762.9 Ų62.954%0.53832%0.315SS..THydrogen-bonded Turntrans-113-14.5178.1-520000113R1066 Y1067 V1068 R1072R1066-S1070 WeakPolarHBondContact O-CB 3.39Å; R1066-S1070 PolarHBondContact O-N 3.21Å; R1066-S1070 PolarHBondContact O-OG 3.29Å; Y1067-S1070 CarbonylContact O-C 3.55Å; Y1067-S1070 WeakPolarHBondContact O-CA 3.34Å; Y1067-S1070 PolarHBondContact O-N 2.85Å; V1068-S1070 PolarHBondContact O-N 3.13Å; S1070-R1072 PolarHBondContact O-N 3.37Å
1071M64.1Low60.4Low23 Ų2363.2 Ų63.211%0.11332%0.317CS..  trans-64.7105.5178.3-178.2-172.2-76.100109.3A922 A1033 Y1067 V1068 L1073A922-M1071 HydrophobicContact CB-CB 4.02Å; A922-M1071 HydrophobicContact CB-CG 3.9Å; A922-M1071 HydrophobicContact CB-SD 3.67Å; A922-M1071 PolarHBondContact N-O 2.75Å; A1033-M1071 HydrophobicContact CB-CE 4.29Å; Y1067-M1071 HydrophobicContact CD1-CE 3.99Å; Y1067-M1071 HydrophobicContact CE1-CE 3.4Å; Y1067-M1071 VanDerWaalsContact CE1-CE 3.4Å; Y1067-M1071 PolarHBondContact O-N 3.41Å; V1068-M1071 PolarHBondContact O-N 2.95Å; M1071-L1073 HydrophobicContact CG-CD2 4.43Å; M1071-L1073 HydrophobicContact SD-CD2 4.11Å
1072R60Low58.4Low123 Ų12361.1 Ų61.146%0.46431%0.308SS..EExtended strand (participates in β ladder)trans-86.6130.8162.7-55.4-170.4-173.1-173.4-2.3107.8N919 V920 S1070 S1074N919-R1072 WeakPolarHBondContact OD1-CD 3.38Å; V920-R1072 WeakPolarHBondContact O-CA 3.19Å; S1070-R1072 PolarHBondContact O-N 3.37Å; R1072-S1074 PolarHBondContact O-N 3.03Å
1073L58.2Low56.8Low6 Ų655 Ų553%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-83.594.7169.7-65.6175.3000106.5V920 A922 I925 Y1019 L1026 M1071 L1075V920-L1073 PolarHBondContact O-N 3.04Å; A922-L1073 HydrophobicContact CB-CD1 4.23Å; A922-L1073 HydrophobicContact CB-CD2 4.47Å; A922-L1073 HydrophobicContact CB-CG 4.09Å; I925-L1073 HydrophobicContact CD1-CD1 3.64Å; I925-L1073 HydrophobicContact CG1-CD1 4.19Å; Y1019-L1073 HydrophobicContact CD2-CB 4.5Å; Y1019-L1073 HydrophobicContact CE1-CD1 4.07Å; Y1019-L1073 HydrophobicContact CE2-CB 3.6Å; Y1019-L1073 HydrophobicContact CE2-CD1 4.29Å; L1026-L1073 HydrophobicContact CD2-CD1 4.49Å; L1026-L1073 HydrophobicContact CD2-CD2 4.24Å; M1071-L1073 HydrophobicContact CG-CD2 4.43Å; M1071-L1073 HydrophobicContact SD-CD2 4.11Å; L1073-L1075 PolarHBondContact O-N 2.98Å
1074S48.4Very low54.6Low57 Ų5754.4 Ų54.440%0.39928%0.279SS..  trans-65.2126.8178.852.50000109.9R1072 T1076R1072-S1074 PolarHBondContact O-N 3.03Å; S1074-T1076 PolarHBondContact O-N 2.85Å; S1074-T1076 PolarHBondContact O-OG1 3.13Å; S1074-T1076 PolarHBondContact OG-OG1 2.66Å
1075L45.7Very low52.7Low25 Ų2555.2 Ų55.213%0.13128%0.284CS..  trans-75.567.7165.7-67.5178.2000108.6M918 Y1019 L1073 L1077 I1078M918-L1075 HydrophobicContact CB-CD1 3.72Å; M918-L1075 WeakPolarHBondContact O-CD1 2.96Å; Y1019-L1075 HydrophobicContact CD2-CD2 3.75Å; Y1019-L1075 HydrophobicContact CE2-CD2 3.65Å; Y1019-L1075 HydrophobicContact CE2-CG 4.47Å; L1073-L1075 PolarHBondContact O-N 2.98Å; L1075-L1077 PolarHBondContact O-N 3.08Å; L1075-I1078 HydrophobicContact CB-CB 3.86Å; L1075-I1078 HydrophobicContact CB-CD1 3.79Å; L1075-I1078 HydrophobicContact CB-CG1 4.4Å; L1075-I1078 HydrophobicContact CB-CG2 3.98Å; L1075-I1078 HydrophobicContact CD1-CD1 4.21Å; L1075-I1078 HydrophobicContact CD1-CG2 4.2Å; L1075-I1078 HydrophobicContact CD2-CD1 4.01Å; L1075-I1078 HydrophobicContact CG-CD1 4.23Å; L1075-I1078 WeakPolarHBondContact O-CB 3.34Å; L1075-I1078 PolarHBondContact O-N 3.47Å
1076T41.3Very low51.1Low104 Ų10458.2 Ų58.264%0.63829%0.291SS*.THydrogen-bonded Turntrans-74.226.7-165.2-2.70000115.3S1074S1074-T1076 PolarHBondContact O-N 2.85Å; S1074-T1076 PolarHBondContact O-OG1 3.13Å; S1074-T1076 PolarHBondContact OG-OG1 2.66Å
1077L39.4Very low50.2Low122 Ų12255.9 Ų55.964%0.63928%0.283SS*.THydrogen-bonded Turntrans-140.510.2174.6-73.6169000111.8L1075L1075-L1077 PolarHBondContact O-N 3.08Å
1078I40Very low49.1Very low16 Ų1653.9 Ų53.98%0.08228%0.276CS..  trans-124.4-9.3-160.8-84.9155.6000114.3L1075 D1080 L1081 I1082 L1099L1075-I1078 HydrophobicContact CB-CB 3.86Å; L1075-I1078 HydrophobicContact CB-CD1 3.79Å; L1075-I1078 HydrophobicContact CB-CG1 4.4Å; L1075-I1078 HydrophobicContact CB-CG2 3.98Å; L1075-I1078 HydrophobicContact CD1-CD1 4.21Å; L1075-I1078 HydrophobicContact CD1-CG2 4.2Å; L1075-I1078 HydrophobicContact CD2-CD1 4.01Å; L1075-I1078 HydrophobicContact CG-CD1 4.23Å; L1075-I1078 WeakPolarHBondContact O-CB 3.34Å; L1075-I1078 PolarHBondContact O-N 3.47Å; I1078-D1080 VanDerWaalsContact C-N 3.31Å; I1078-D1080 PolarHBondContact O-N 2.97Å; I1078-L1081 PolarHBondContact O-N 3Å; I1078-I1082 HydrophobicContact CG2-CD1 3.39Å; I1078-I1082 HydrophobicContact CG2-CG1 3.84Å; I1078-I1082 PolarHBondContact O-N 2.93Å; I1078-L1099 HydrophobicContact CD1-CD1 3.59Å; I1078-L1099 HydrophobicContact CD1-CD2 3.99Å; I1078-L1099 HydrophobicContact CD1-CG 4.47Å; I1078-L1099 HydrophobicContact CG1-CD1 3.94Å; I1078-L1099 HydrophobicContact CG1-CD2 3.67Å; I1078-L1099 HydrophobicContact CG1-CG 4.44Å
1079D36.8Very low47.8Very low80 Ų8063.8 Ų63.843%0.42831%0.314SS..Hα-helixtrans-61.2-39.6173.7-71.2-49.5000111.5A917 L1081A917-D1079 VanDerWaalsContact CB-OD1 3.24Å; A917-D1079 WeakPolarHBondContact CB-OD1 3.35Å; D1079-L1081 VanDerWaalsContact C-N 3.28Å; D1079-L1081 PolarHBondContact O-N 2.82Å
1080D40.2Very low47.4Very low83 Ų8362.2 Ų62.244%0.44430%0.304SS..Hα-helixtrans-65.7-28.9172.2-64.6-66.8000113.1I1078I1078-D1080 VanDerWaalsContact C-N 3.31Å; I1078-D1080 PolarHBondContact O-N 2.97Å
1081L37.3Very low47.3Very low8 Ų860.4 Ų60.44%0.04229%0.292CS..Hα-helixtrans-81.9-38.3-174.4-147.6116.9000112.6I1078 D1079 G1084 V1085 T1095 L1099 H1125I1078-L1081 PolarHBondContact O-N 3Å; D1079-L1081 VanDerWaalsContact C-N 3.28Å; D1079-L1081 PolarHBondContact O-N 2.82Å; L1081-G1084 VanDerWaalsContact O-CA 3.28Å; L1081-G1084 WeakPolarHBondContact O-CA 3.25Å; L1081-G1084 PolarHBondContact O-N 3.49Å; L1081-V1085 HydrophobicContact CD2-CG2 4.18Å; L1081-V1085 PolarHBondContact O-N 2.98Å; L1081-T1095 HydrophobicContact CD2-CG2 4.42Å; L1081-L1099 HydrophobicContact CD1-CD2 3.61Å; L1081-L1099 HydrophobicContact CD1-CG 4.29Å; L1081-L1099 HydrophobicContact CD2-CD1 4.37Å; L1081-L1099 HydrophobicContact CD2-CD2 3.89Å; L1081-L1099 HydrophobicContact CD2-CG 3.76Å; L1081-L1099 HydrophobicContact CG-CD2 4.27Å; L1081-H1125 WeakPolarHBondContact CD1-ND1 3.21Å
1082I41Very low47Very low27 Ų2760.4 Ų60.414%0.13830%0.297CS..Hα-helixtrans-81.4-15.5-177.9-62.9173.2000112.2T916 A917 I1078 G1084 R1086T916-I1082 WeakPolarHBondContact O-CG2 3.37Å; A917-I1082 HydrophobicContact CB-CD1 4Å; I1078-I1082 HydrophobicContact CG2-CD1 3.39Å; I1078-I1082 HydrophobicContact CG2-CG1 3.84Å; I1078-I1082 PolarHBondContact O-N 2.93Å; I1082-G1084 PolarHBondContact O-N 2.84Å; I1082-R1086 VanDerWaalsContact O-CB 3.27Å; I1082-R1086 WeakPolarHBondContact O-CB 3.34Å; I1082-R1086 VanDerWaalsContact O-CG 3.29Å; I1082-R1086 WeakPolarHBondContact O-CG 3.3Å; I1082-R1086 PolarHBondContact O-N 2.89Å
1083E42Very low47.1Very low26 Ų2659.5 Ų59.512%0.12130%0.297CS..Hα-helixtrans-67-16.3158.8-68.5-154.1110.800113.1C914 Y1087 R1133C914-E1083 HydrophobicContact CB-CG 3.7Å; C914-E1083 WeakPolarHBondContact CB-OE1 3.45Å; E1083-Y1087 WeakPolarHBondContact O-CE2 3.39Å; E1083-R1133 IonicContact OE1-NH1 3.59Å; E1083-R1133 IonicContact OE2-CZ 2.78Å; E1083-R1133 VanDerWaalsContact OE2-CZ 3.23Å; E1083-R1133 IonicContact OE2-NH1 2.72Å; E1083-R1133 PolarHBondContact OE2-NH1 3.29Å; E1083-R1133 IonicContact OE2-NH2 3.55Å; E1083-R1133 PolarHBondContact OE2-NH2 2.82Å
1084G40.9Very low47.4Very low0 Ų059.2 Ų59.20%030%0.296CS..Hα-helixtrans-81.7-67163.900000112L1081 I1082 R1086 Y1087L1081-G1084 VanDerWaalsContact O-CA 3.28Å; L1081-G1084 WeakPolarHBondContact O-CA 3.25Å; L1081-G1084 PolarHBondContact O-N 3.49Å; I1082-G1084 PolarHBondContact O-N 2.84Å; G1084-R1086 PolarHBondContact O-N 2.79Å; G1084-Y1087 WeakPolarHBondContact O-CD2 3.32Å; G1084-Y1087 PolarHBondContact O-N 3.49Å; G1084-Y1087 VanDerWaalsContact O-N 3.08Å
1085V44.6Very low48.1Very low18 Ų1857.5 Ų57.511%0.10928%0.283CS..Hα-helixtrans-55.5-19.3-174.8-175.90000113.6L1081 Y1087 C1088 A1090 L1124L1081-V1085 HydrophobicContact CD2-CG2 4.18Å; L1081-V1085 PolarHBondContact O-N 2.98Å; V1085-Y1087 PolarHBondContact O-N 2.88Å; V1085-C1088 PolarHBondContact O-N 2.96Å; V1085-C1088 VanDerWaalsContact O-N 3.16Å; V1085-A1090 HydrophobicContact CG1-CB 4.19Å; V1085-L1124 VanDerWaalsContact CG2-O 3.25Å; V1085-L1124 WeakPolarHBondContact CG2-O 3.21Å; V1085-L1124 PolarHBondContact N-O 2.93Å
1086R43.7Very low48.9Very low120 Ų12059 Ų5945%0.45329%0.29SS..THydrogen-bonded Turntrans-50.7-21.3169.7-102.5-179.4167.7-145.10.2116.1C914 T916 I1082 G1084C914-R1086 PolarHBondContact SG-NE 2.8Å; C914-R1086 PolarHBondContact SG-NH2 2.82Å; T916-R1086 PolarHBondContact OG1-NE 3.44Å; T916-R1086 PolarHBondContact OG1-NH2 3.27Å; I1082-R1086 VanDerWaalsContact O-CB 3.27Å; I1082-R1086 WeakPolarHBondContact O-CB 3.34Å; I1082-R1086 VanDerWaalsContact O-CG 3.29Å; I1082-R1086 WeakPolarHBondContact O-CG 3.3Å; I1082-R1086 PolarHBondContact O-N 2.89Å; G1084-R1086 PolarHBondContact O-N 2.79Å
1087Y49.3Very low50.3Low153 Ų15356.7 Ų56.760%0.627%0.272SS*.THydrogen-bonded Turntrans-102.4-5.9-177.1-61.1-83.3000114.4E1083 G1084 V1085 Q1122 L1123E1083-Y1087 WeakPolarHBondContact O-CE2 3.39Å; G1084-Y1087 WeakPolarHBondContact O-CD2 3.32Å; G1084-Y1087 PolarHBondContact O-N 3.49Å; G1084-Y1087 VanDerWaalsContact O-N 3.08Å; V1085-Y1087 PolarHBondContact O-N 2.88Å; Y1087-Q1122 PolarHBondContact O-OE1 3.19Å; Y1087-Q1122 VanDerWaalsContact O-OE1 3.13Å; Y1087-L1123 HydrophobicContact CD2-CB 3.86Å; Y1087-L1123 HydrophobicContact CD2-CD2 3.93Å; Y1087-L1123 HydrophobicContact CD2-CG 4.38Å; Y1087-L1123 HydrophobicContact CE2-CD2 4.13Å; Y1087-L1123 HydrophobicContact CG-CB 4.16Å
1088C51.8Low51.9Low7 Ų751 Ų515%0.04724%0.243CC..SBendtrans-138133.8179.7178.20000111.1V1085 A1090 Q1122 L1124V1085-C1088 PolarHBondContact O-N 2.96Å; V1085-C1088 VanDerWaalsContact O-N 3.16Å; C1088-A1090 VanDerWaalsContact C-N 3.28Å; C1088-A1090 PolarHBondContact O-N 3.33Å; C1088-Q1122 HydrophobicContact CB-CB 4Å; C1088-L1124 HydrophobicContact CB-CD1 3.9Å
1089R51.2Low53.2Low209 Ų20952.1 Ų52.179%0.78925%0.248SC*.  trans-78.566.3-176.2-74.6-174.3173.3179.4-0.8113.3
1090A57.7Low55Low22 Ų2251.7 Ų51.718%0.18225%0.252CS..  trans-82.4140.7171.200000112.3V1085 C1088 V1094 L1260V1085-A1090 HydrophobicContact CG1-CB 4.19Å; C1088-A1090 VanDerWaalsContact C-N 3.28Å; C1088-A1090 PolarHBondContact O-N 3.33Å; A1090-V1094 HydrophobicContact CB-CB 4.09Å; A1090-V1094 HydrophobicContact CB-CG1 3.83Å; A1090-L1260 HydrophobicContact CB-CD2 4Å
1091S59.5Low56.9Low39 Ų3947.9 Ų47.927%0.27323%0.231SC..  trans-71.6170.3170.8760000112.8K1093 V1094 T1095 E1263S1091-K1093 PolarHBondContact O-N 3.39Å; S1091-K1093 PolarHBondContact OG-N 3.1Å; S1091-V1094 PolarHBondContact O-N 3.46Å; S1091-V1094 PolarHBondContact OG-N 2.87Å; S1091-T1095 WeakPolarHBondContact O-CB 3.32Å; S1091-T1095 PolarHBondContact O-N 2.96Å; S1091-T1095 PolarHBondContact O-OG1 2.81Å; S1091-E1263 WeakPolarHBondContact CB-OE1 3.47Å; S1091-E1263 VanDerWaalsContact CB-OE2 3.24Å; S1091-E1263 WeakPolarHBondContact CB-OE2 3.34Å; S1091-E1263 PolarHBondContact N-OE2 3.45Å; S1091-E1263 PolarHBondContact OG-OE1 3.13Å; S1091-E1263 PolarHBondContact OG-OE2 2.83Å
1092G57.3Low59Low23 Ų2347.8 Ų47.824%0.23723%0.231CC..Hα-helixtrans-60.5-28.8173.200000113.7I1096G1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; G1092-I1096 PolarHBondContact O-N 2.89Å; G1092-I1096 VanDerWaalsContact O-N 3.12Å
1093K62.2Low60.6Low105 Ų10549 Ų4946%0.45724%0.242SC..Hα-helixtrans-68.5-54.7175175.6-176.4173.3-69.30110.3S1091 T1095 I1096 E1097S1091-K1093 PolarHBondContact O-N 3.39Å; S1091-K1093 PolarHBondContact OG-N 3.1Å; K1093-T1095 PolarHBondContact O-N 3.37Å; K1093-I1096 PolarHBondContact O-N 3.48Å; K1093-E1097 WeakPolarHBondContact CE-OE1 3.41Å; K1093-E1097 WeakPolarHBondContact CG-OE1 3.2Å; K1093-E1097 IonicContact NZ-OE1 3.89Å; K1093-E1097 PolarHBondContact NZ-OE1 3.41Å; K1093-E1097 IonicContact NZ-OE2 3.03Å; K1093-E1097 PolarHBondContact NZ-OE2 3.28Å; K1093-E1097 PolarHBondContact O-N 3.35Å
1094V65.5Low62.4Low0 Ų050.7 Ų50.70%025%0.25CC..Hα-helixtrans-59.2-38.8178.7176.30000111A1090 S1091 I1096 E1097 L1098 V1256 T1259 L1260 E1263A1090-V1094 HydrophobicContact CB-CB 4.09Å; A1090-V1094 HydrophobicContact CB-CG1 3.83Å; S1091-V1094 PolarHBondContact O-N 3.46Å; S1091-V1094 PolarHBondContact OG-N 2.87Å; V1094-I1096 PolarHBondContact O-N 2.87Å; V1094-E1097 PolarHBondContact O-N 2.73Å; V1094-L1098 VanDerWaalsContact O-CB 3.29Å; V1094-L1098 WeakPolarHBondContact O-CB 3.42Å; V1094-L1098 PolarHBondContact O-N 3.03Å; V1094-V1256 HydrophobicContact CG1-CG1 4.35Å; V1094-T1259 HydrophobicContact CG2-CG2 3.37Å; V1094-L1260 HydrophobicContact CG1-CD1 4.46Å; V1094-L1260 HydrophobicContact CG1-CD2 3.67Å; V1094-L1260 HydrophobicContact CG1-CG 3.76Å; V1094-E1263 WeakPolarHBondContact CG2-OE2 3.35Å
1095T62.1Low64.3Low21 Ų2150.8 Ų50.813%0.12925%0.25CS..Hα-helixtrans-62.1-40.8175.5-55.30000112L1081 S1091 K1093 L1099L1081-T1095 HydrophobicContact CD2-CG2 4.42Å; S1091-T1095 WeakPolarHBondContact O-CB 3.32Å; S1091-T1095 PolarHBondContact O-N 2.96Å; S1091-T1095 PolarHBondContact O-OG1 2.81Å; K1093-T1095 PolarHBondContact O-N 3.37Å; T1095-L1099 HydrophobicContact CG2-CD1 4.16Å; T1095-L1099 VanDerWaalsContact O-CB 3.31Å; T1095-L1099 WeakPolarHBondContact O-CB 3.46Å; T1095-L1099 WeakPolarHBondContact O-CD1 3.16Å; T1095-L1099 VanDerWaalsContact O-CG 3.28Å; T1095-L1099 WeakPolarHBondContact O-CG 3.32Å; T1095-L1099 PolarHBondContact O-N 2.91Å
1096I63.6Low65.9Low55 Ų5553 Ų5328%0.28226%0.26SS..Hα-helixtrans-67.4-43.2174-70.7162.7000111.5G1018 G1092 K1093 V1094 L1098 L1099 S1100G1018-I1096 VanDerWaalsContact CA-CD1 3.46Å; G1092-I1096 WeakPolarHBondContact O-CG1 3.49Å; G1092-I1096 PolarHBondContact O-N 2.89Å; G1092-I1096 VanDerWaalsContact O-N 3.12Å; K1093-I1096 PolarHBondContact O-N 3.48Å; V1094-I1096 PolarHBondContact O-N 2.87Å; I1096-L1098 VanDerWaalsContact C-N 3.34Å; I1096-L1098 PolarHBondContact O-N 2.88Å; I1096-L1099 WeakPolarHBondContact O-CB 3.49Å; I1096-L1099 PolarHBondContact O-N 2.92Å; I1096-S1100 WeakPolarHBondContact O-CB 3.4Å; I1096-S1100 PolarHBondContact O-N 3.01Å
1097E70.5Confident67.5Low57 Ų5753.1 Ų53.127%0.26627%0.269SS..Hα-helixtrans-65.6-40.2-178.1-72.8166.2174.700110.9K1093 V1094 S1100 L1101 V1256K1093-E1097 WeakPolarHBondContact CE-OE1 3.41Å; K1093-E1097 WeakPolarHBondContact CG-OE1 3.2Å; K1093-E1097 IonicContact NZ-OE1 3.89Å; K1093-E1097 PolarHBondContact NZ-OE1 3.41Å; K1093-E1097 IonicContact NZ-OE2 3.03Å; K1093-E1097 PolarHBondContact NZ-OE2 3.28Å; K1093-E1097 PolarHBondContact O-N 3.35Å; V1094-E1097 PolarHBondContact O-N 2.73Å; E1097-S1100 PolarHBondContact O-N 2.71Å; E1097-L1101 WeakPolarHBondContact O-CB 3.21Å; E1097-L1101 PolarHBondContact O-N 3.46Å; E1097-V1256 HydrophobicContact CB-CG2 3.98Å
1098L73.5Confident69Low3 Ų347.5 Ų47.52%0.01625%0.252CS..Hα-helixtrans-64.1-42.2170.3-173.970.2000112.8V1094 I1096 S1100 L1101 V1102 I1117 L1124 H1125V1094-L1098 VanDerWaalsContact O-CB 3.29Å; V1094-L1098 WeakPolarHBondContact O-CB 3.42Å; V1094-L1098 PolarHBondContact O-N 3.03Å; I1096-L1098 VanDerWaalsContact C-N 3.34Å; I1096-L1098 PolarHBondContact O-N 2.88Å; L1098-S1100 VanDerWaalsContact C-N 3.32Å; L1098-S1100 PolarHBondContact O-N 3.18Å; L1098-L1101 PolarHBondContact O-N 2.58Å; L1098-V1102 WeakPolarHBondContact O-CG2 3.46Å; L1098-V1102 PolarHBondContact O-N 2.95Å; L1098-I1117 HydrophobicContact CD1-CD1 3.82Å; L1098-L1124 HydrophobicContact CD1-CD2 3.72Å; L1098-L1124 HydrophobicContact CD2-CD2 3.68Å; L1098-L1124 HydrophobicContact CD2-CG 3.62Å; L1098-L1124 HydrophobicContact CG-CD2 4.35Å; L1098-H1125 HydrophobicContact CD2-CB 4.41Å
1099L67.6Low70.5Confident39 Ų3947.9 Ų47.920%0.20425%0.253CS..Hα-helixtrans-59.2-43.2174-89.1160.5000112.1I1078 L1081 T1095 I1096 S1103I1078-L1099 HydrophobicContact CD1-CD1 3.59Å; I1078-L1099 HydrophobicContact CD1-CD2 3.99Å; I1078-L1099 HydrophobicContact CD1-CG 4.47Å; I1078-L1099 HydrophobicContact CG1-CD1 3.94Å; I1078-L1099 HydrophobicContact CG1-CD2 3.67Å; I1078-L1099 HydrophobicContact CG1-CG 4.44Å; L1081-L1099 HydrophobicContact CD1-CD2 3.61Å; L1081-L1099 HydrophobicContact CD1-CG 4.29Å; L1081-L1099 HydrophobicContact CD2-CD1 4.37Å; L1081-L1099 HydrophobicContact CD2-CD2 3.89Å; L1081-L1099 HydrophobicContact CD2-CG 3.76Å; L1081-L1099 HydrophobicContact CG-CD2 4.27Å; T1095-L1099 HydrophobicContact CG2-CD1 4.16Å; T1095-L1099 VanDerWaalsContact O-CB 3.31Å; T1095-L1099 WeakPolarHBondContact O-CB 3.46Å; T1095-L1099 WeakPolarHBondContact O-CD1 3.16Å; T1095-L1099 VanDerWaalsContact O-CG 3.28Å; T1095-L1099 WeakPolarHBondContact O-CG 3.32Å; T1095-L1099 PolarHBondContact O-N 2.91Å; I1096-L1099 WeakPolarHBondContact O-CB 3.49Å; I1096-L1099 PolarHBondContact O-N 2.92Å; L1099-S1103 WeakPolarHBondContact O-CB 3.15Å; L1099-S1103 PolarHBondContact O-N 2.75Å
1100S74Confident71.9Confident71 Ų7141.8 Ų41.850%0.49724%0.24SC..Hα-helixtrans-66.4-43177.9-161.90000111I1096 E1097 L1098 S1103 E1104I1096-S1100 WeakPolarHBondContact O-CB 3.4Å; I1096-S1100 PolarHBondContact O-N 3.01Å; E1097-S1100 PolarHBondContact O-N 2.71Å; L1098-S1100 VanDerWaalsContact C-N 3.32Å; L1098-S1100 PolarHBondContact O-N 3.18Å; S1100-S1103 PolarHBondContact O-N 2.77Å; S1100-E1104 VanDerWaalsContact O-CB 3.29Å; S1100-E1104 WeakPolarHBondContact O-CB 3.3Å; S1100-E1104 PolarHBondContact O-N 3Å
1101L80.7Confident73Confident3 Ų342 Ų422%0.01624%0.237CC..Hα-helixtrans-63.1-44.9176.9173.357.7000112.3E1097 L1098 V1105 W1224 F1249 I1252 I1253E1097-L1101 WeakPolarHBondContact O-CB 3.21Å; E1097-L1101 PolarHBondContact O-N 3.46Å; L1098-L1101 PolarHBondContact O-N 2.58Å; L1101-V1105 HydrophobicContact CD1-CG2 4.38Å; L1101-V1105 WeakPolarHBondContact O-CG2 3.44Å; L1101-V1105 PolarHBondContact O-N 3.27Å; L1101-W1224 HydrophobicContact CD1-CH2 4.14Å; L1101-W1224 HydrophobicContact CD1-CZ3 4.07Å; L1101-W1224 HydrophobicContact CD2-CH2 4.47Å; L1101-W1224 HydrophobicContact CD2-CZ3 4.12Å; L1101-W1224 HydrophobicContact CG-CH2 3.86Å; L1101-W1224 HydrophobicContact CG-CZ3 3.93Å; L1101-F1249 HydrophobicContact CD1-CB 4.24Å; L1101-F1249 HydrophobicContact CD1-CD1 3.67Å; L1101-F1249 HydrophobicContact CD1-CG 4.36Å; L1101-I1252 HydrophobicContact CB-CG2 4.12Å; L1101-I1252 HydrophobicContact CD1-CB 4.14Å; L1101-I1252 HydrophobicContact CD1-CG2 3.98Å; L1101-I1252 HydrophobicContact CD2-CG2 4.26Å; L1101-I1252 HydrophobicContact CG-CG2 4.34Å; L1101-I1253 HydrophobicContact CD1-CG1 4.46Å; L1101-I1253 HydrophobicContact CD2-CG1 3.82Å
1102V79.7Confident74.2Confident5 Ų540.5 Ų40.53%0.0323%0.226CC..Hα-helixtrans-65.3-47.3176.11720000110.9L1098 E1104 V1105 E1106 I1117 W1224L1098-V1102 WeakPolarHBondContact O-CG2 3.46Å; L1098-V1102 PolarHBondContact O-N 2.95Å; V1102-E1104 VanDerWaalsContact C-N 3.35Å; V1102-E1104 PolarHBondContact O-N 3.15Å; V1102-V1105 PolarHBondContact O-N 2.91Å; V1102-E1106 HydrophobicContact CG1-CG 4.35Å; V1102-E1106 WeakPolarHBondContact O-CG 3.45Å; V1102-E1106 PolarHBondContact O-N 3.09Å; V1102-I1117 HydrophobicContact CG2-CD1 3.65Å; V1102-W1224 HydrophobicContact CG2-CZ2 4.13Å
1103S74.5Confident75.5Confident53 Ų5344.3 Ų44.337%0.37123%0.233SC..Hα-helixtrans-59.4-45.7177-165.50000111.1L1099 S1100 V1105 E1106 D1107L1099-S1103 WeakPolarHBondContact O-CB 3.15Å; L1099-S1103 PolarHBondContact O-N 2.75Å; S1100-S1103 PolarHBondContact O-N 2.77Å; S1103-V1105 VanDerWaalsContact C-N 3.3Å; S1103-V1105 PolarHBondContact O-N 3.29Å; S1103-E1106 PolarHBondContact O-N 3.4Å; S1103-D1107 WeakPolarHBondContact O-CB 3.48Å; S1103-D1107 VanDerWaalsContact O-CG 3.25Å; S1103-D1107 PolarHBondContact O-N 3.26Å; S1103-D1107 PolarHBondContact OG-OD2 3.43Å
1104E80.8Confident76.5Confident62 Ų6240.9 Ų40.929%0.2922%0.219SC..Hα-helixtrans-66.2-32.4-179-166.3-178.6164.900112.3S1100 V1102 S1108 R1248 F1249S1100-E1104 VanDerWaalsContact O-CB 3.29Å; S1100-E1104 WeakPolarHBondContact O-CB 3.3Å; S1100-E1104 PolarHBondContact O-N 3Å; V1102-E1104 VanDerWaalsContact C-N 3.35Å; V1102-E1104 PolarHBondContact O-N 3.15Å; E1104-S1108 WeakPolarHBondContact O-CB 3.46Å; E1104-S1108 PolarHBondContact O-N 3.4Å; E1104-S1108 PolarHBondContact O-OG 3.42Å; E1104-R1248 VanDerWaalsContact CG-NH2 3.33Å; E1104-R1248 IonicContact OE1-CZ 3.23Å; E1104-R1248 VanDerWaalsContact OE1-CZ 3.23Å; E1104-R1248 IonicContact OE1-NE 2.67Å; E1104-R1248 PolarHBondContact OE1-NE 3.42Å; E1104-R1248 IonicContact OE1-NH2 2.9Å; E1104-R1248 PolarHBondContact OE1-NH2 2.78Å; E1104-F1249 HydrophobicContact CB-CE1 4.01Å; E1104-F1249 HydrophobicContact CG-CE1 3.77Å; E1104-F1249 HydrophobicContact CG-CZ 4.19Å
1105V80.4Confident77.5Confident1 Ų140.9 Ų40.91%0.00622%0.219CC..Hα-helixtrans-71.1-43.7172.2165.60000111.9L1101 V1102 S1103 S1108 Y1109 W1224 F1245 F1249L1101-V1105 HydrophobicContact CD1-CG2 4.38Å; L1101-V1105 WeakPolarHBondContact O-CG2 3.44Å; L1101-V1105 PolarHBondContact O-N 3.27Å; V1102-V1105 PolarHBondContact O-N 2.91Å; S1103-V1105 VanDerWaalsContact C-N 3.3Å; S1103-V1105 PolarHBondContact O-N 3.29Å; V1105-S1108 PolarHBondContact O-N 2.75Å; V1105-Y1109 HydrophobicContact CG1-CD2 4.3Å; V1105-Y1109 WeakPolarHBondContact O-CB 3.22Å; V1105-Y1109 PolarHBondContact O-N 3.22Å; V1105-W1224 HydrophobicContact CB-CH2 3.9Å; V1105-W1224 HydrophobicContact CB-CZ2 4.09Å; V1105-W1224 HydrophobicContact CG1-CH2 4.12Å; V1105-W1224 HydrophobicContact CG1-CZ2 3.95Å; V1105-W1224 HydrophobicContact CG2-CH2 3.54Å; V1105-W1224 HydrophobicContact CG2-CZ2 4.21Å; V1105-W1224 HydrophobicContact CG2-CZ3 4.19Å; V1105-F1245 HydrophobicContact CG1-CE2 4.27Å; V1105-F1245 HydrophobicContact CG2-CE2 3.91Å; V1105-F1249 HydrophobicContact CG2-CD1 3.56Å; V1105-F1249 HydrophobicContact CG2-CD2 4Å; V1105-F1249 HydrophobicContact CG2-CE1 3.53Å; V1105-F1249 HydrophobicContact CG2-CE2 4Å; V1105-F1249 HydrophobicContact CG2-CG 3.79Å; V1105-F1249 HydrophobicContact CG2-CZ 3.75Å
1106E78.3Confident78.6Confident66 Ų6640 Ų4031%0.30821%0.213SC..Hα-helixtrans-68.4-38.2177.5-70.2-179.8165.300112V1102 S1103 Y1109V1102-E1106 HydrophobicContact CG1-CG 4.35Å; V1102-E1106 WeakPolarHBondContact O-CG 3.45Å; V1102-E1106 PolarHBondContact O-N 3.09Å; S1103-E1106 PolarHBondContact O-N 3.4Å; E1106-Y1109 CarbonylContact O-C 3.5Å
1107D77.8Confident79.6Confident122 Ų12237.4 Ų37.465%0.65220%0.2SC*.Hα-helixtrans-68.5-33.8174.2-74.8-48.7000112.2S1103S1103-D1107 WeakPolarHBondContact O-CB 3.48Å; S1103-D1107 VanDerWaalsContact O-CG 3.25Å; S1103-D1107 PolarHBondContact O-N 3.26Å; S1103-D1107 PolarHBondContact OG-OD2 3.43Å
1108S80.9Confident80Confident34 Ų3434.8 Ų34.824%0.23819%0.188CC..Hα-helixtrans-84.8-28.1179.7-58.40000113.6E1104 V1105 R1248E1104-S1108 WeakPolarHBondContact O-CB 3.46Å; E1104-S1108 PolarHBondContact O-N 3.4Å; E1104-S1108 PolarHBondContact O-OG 3.42Å; V1105-S1108 PolarHBondContact O-N 2.75Å; S1108-R1248 PolarHBondContact OG-NH1 3.41Å; S1108-R1248 PolarHBondContact OG-NH2 3.4Å
1109Y83.2Confident80.1Confident16 Ų1634.7 Ų34.76%0.06319%0.187CC..  trans-130.473.9-178.1-56.5-61.3000111V1105 E1106 F1111 V1112 F1241 F1245 F1249V1105-Y1109 HydrophobicContact CG1-CD2 4.3Å; V1105-Y1109 WeakPolarHBondContact O-CB 3.22Å; V1105-Y1109 PolarHBondContact O-N 3.22Å; E1106-Y1109 CarbonylContact O-C 3.5Å; Y1109-F1111 AromaticContact CD1-CE1 3.85Å; Y1109-F1111 HydrophobicContact CD1-CE1 3.85Å; Y1109-F1111 AromaticContact CD1-CZ 3.72Å; Y1109-F1111 HydrophobicContact CD1-CZ 3.72Å; Y1109-F1111 HydrophobicContact CG-CE1 4.26Å; Y1109-F1111 AromaticContact CG-CZ 3.97Å; Y1109-F1111 HydrophobicContact CG-CZ 3.97Å; Y1109-F1111 PolarHBondContact O-N 3.33Å; Y1109-V1112 WeakPolarHBondContact O-CB 3.28Å; Y1109-V1112 WeakPolarHBondContact O-CG2 3.4Å; Y1109-V1112 PolarHBondContact O-N 2.94Å; Y1109-F1241 AromaticContact CD1-CD2 3.81Å; Y1109-F1241 HydrophobicContact CD1-CD2 3.81Å; Y1109-F1241 AromaticContact CD1-CE2 3.65Å; Y1109-F1241 HydrophobicContact CD1-CE2 3.65Å; Y1109-F1241 AromaticContact CD2-CE2 3.74Å; Y1109-F1241 HydrophobicContact CD2-CE2 3.74Å; Y1109-F1241 AromaticContact CE1-CD2 3.58Å; Y1109-F1241 HydrophobicContact CE1-CD2 3.58Å; Y1109-F1241 AromaticContact CE1-CE2 3.69Å; Y1109-F1241 HydrophobicContact CE1-CE2 3.69Å; Y1109-F1241 HydrophobicContact CE2-CD2 4.39Å; Y1109-F1241 AromaticContact CE2-CE2 3.75Å; Y1109-F1241 HydrophobicContact CE2-CE2 3.75Å; Y1109-F1241 HydrophobicContact CG-CD2 4.32Å; Y1109-F1241 AromaticContact CG-CE2 3.68Å; Y1109-F1241 HydrophobicContact CG-CE2 3.68Å; Y1109-F1241 AromaticContact CZ-CD2 3.89Å; Y1109-F1241 AromaticContact CZ-CE2 3.73Å; Y1109-F1245 AromaticContact CE2-CD2 3.95Å; Y1109-F1245 HydrophobicContact CE2-CD2 3.95Å; Y1109-F1249 HydrophobicContact CD2-CE2 4.48Å; Y1109-F1249 HydrophobicContact CE2-CD2 4.29Å; Y1109-F1249 AromaticContact CE2-CE2 3.62Å; Y1109-F1249 HydrophobicContact CE2-CE2 3.62Å; Y1109-F1249 HydrophobicContact CE2-CZ 4.46Å
1110P79.3Confident80.3Confident81 Ų8134.3 Ų34.353%0.52619%0.186SC..THydrogen-bonded Turntrans-61.8-8.8-173.5-25.936.4000116.3V1112 R1113P1110-V1112 VanDerWaalsContact C-N 3.33Å; P1110-R1113 PolarHBondContact O-NH1 2.85Å; P1110-R1113 VanDerWaalsContact O-NH1 3.13Å
1111F81.8Confident79.8Confident25 Ų2533.4 Ų33.411%0.1118%0.175CC..THydrogen-bonded Turntrans-77.4-15171.655.9-97.4000113Y1109 R1113 L1228 D1229 E1232 L1236 F1241Y1109-F1111 AromaticContact CD1-CE1 3.85Å; Y1109-F1111 HydrophobicContact CD1-CE1 3.85Å; Y1109-F1111 AromaticContact CD1-CZ 3.72Å; Y1109-F1111 HydrophobicContact CD1-CZ 3.72Å; Y1109-F1111 HydrophobicContact CG-CE1 4.26Å; Y1109-F1111 AromaticContact CG-CZ 3.97Å; Y1109-F1111 HydrophobicContact CG-CZ 3.97Å; Y1109-F1111 PolarHBondContact O-N 3.33Å; F1111-R1113 PolarHBondContact O-N 3.47Å; F1111-L1228 HydrophobicContact CD2-CB 4.41Å; F1111-L1228 HydrophobicContact CD2-CD1 4.47Å; F1111-L1228 HydrophobicContact CD2-CD2 4.08Å; F1111-L1228 HydrophobicContact CE2-CD1 4.45Å; F1111-L1228 HydrophobicContact CE2-CD2 4.26Å; F1111-L1228 CarbonylContact O-C 3.54Å; F1111-L1228 VanDerWaalsContact O-CA 3.24Å; F1111-L1228 WeakPolarHBondContact O-CA 3.41Å; F1111-D1229 PolarHBondContact O-N 3.41Å; F1111-E1232 VanDerWaalsContact CA-OE2 3.28Å; F1111-E1232 WeakPolarHBondContact CA-OE2 3.31Å; F1111-E1232 HydrophobicContact CB-CB 3.63Å; F1111-E1232 VanDerWaalsContact CB-OE2 3.3Å; F1111-E1232 WeakPolarHBondContact CB-OE2 3.46Å; F1111-L1236 HydrophobicContact CE1-CD1 3.76Å; F1111-L1236 HydrophobicContact CE2-CD1 4.31Å; F1111-L1236 HydrophobicContact CE2-CD2 3.72Å; F1111-L1236 HydrophobicContact CZ-CD1 3.54Å; F1111-L1236 HydrophobicContact CZ-CD2 3.76Å; F1111-L1236 HydrophobicContact CZ-CG 4.31Å; F1111-F1241 HydrophobicContact CE2-CD2 4.36Å; F1111-F1241 HydrophobicContact CE2-CE2 4.01Å; F1111-F1241 AromaticContact CZ-CD2 3.72Å; F1111-F1241 HydrophobicContact CZ-CD2 3.72Å; F1111-F1241 AromaticContact CZ-CE2 3.67Å; F1111-F1241 HydrophobicContact CZ-CE2 3.67Å
1112V84.4Confident78.9Confident9 Ų935.1 Ų35.16%0.05518%0.183CC..EExtended strand (participates in β ladder)trans-70.5106.7167.3-178.30000107.6Y1109 P1110 M1226 L1228Y1109-V1112 WeakPolarHBondContact O-CB 3.28Å; Y1109-V1112 WeakPolarHBondContact O-CG2 3.4Å; Y1109-V1112 PolarHBondContact O-N 2.94Å; P1110-V1112 VanDerWaalsContact C-N 3.33Å; V1112-M1226 HydrophobicContact CG1-CB 4.42Å; V1112-L1228 HydrophobicContact CB-CD2 4.3Å; V1112-L1228 HydrophobicContact CG2-CD2 3.68Å
1113R84.1Confident78.4Confident102 Ų10235.3 Ų35.339%0.38518%0.184SC..EExtended strand (participates in β ladder)trans-90.1-35.6-176.2-71.1-72.2-167.9-118.9-6.2112.8P1110 F1111 F1212 L1227 D1229 E1232P1110-R1113 PolarHBondContact O-NH1 2.85Å; P1110-R1113 VanDerWaalsContact O-NH1 3.13Å; F1111-R1113 PolarHBondContact O-N 3.47Å; R1113-F1212 HydrophobicContact CB-CD1 4.13Å; R1113-F1212 HydrophobicContact CB-CE1 3.7Å; R1113-F1212 HydrophobicContact CG-CD1 4.46Å; R1113-F1212 HydrophobicContact CG-CE1 4Å; R1113-L1227 PolarHBondContact N-O 3.15Å; R1113-D1229 HydrophobicContact CG-CB 3.8Å; R1113-D1229 IonicContact CZ-OD2 2.8Å; R1113-D1229 VanDerWaalsContact CZ-OD2 3.22Å; R1113-D1229 IonicContact NE-OD2 2.92Å; R1113-D1229 PolarHBondContact NE-OD2 2.85Å; R1113-D1229 IonicContact NH2-OD2 3.24Å; R1113-D1229 PolarHBondContact NH2-OD2 2.72Å; R1113-E1232 IonicContact CZ-OE1 3.73Å; R1113-E1232 IonicContact NH1-OE1 2.87Å; R1113-E1232 IonicContact NH2-OE1 3.9Å; R1113-E1232 PolarHBondContact NH2-OE1 3.17Å; R1113-E1232 IonicContact NH2-OE2 2.69Å
1114H84.9Confident78.3Confident33 Ų3332.8 Ų32.815%0.15317%0.166CC..EExtended strand (participates in β ladder)trans-146.9156.9173.5-56.7-79.1000109.3S1127 L1128 L1202 L1227H1114-S1127 WeakPolarHBondContact CA-OG 3.16Å; H1114-S1127 PolarHBondContact ND1-O 3.06Å; H1114-L1128 HydrophobicContact CB-CD2 3.74Å; H1114-L1128 HydrophobicContact CB-CG 4.08Å; H1114-L1202 VanDerWaalsContact NE2-CD1 3.28Å; H1114-L1202 WeakPolarHBondContact NE2-CD1 3.36Å; H1114-L1227 HydrophobicContact CB-CB 4.18Å; H1114-L1227 HydrophobicContact CB-CD1 4.15Å; H1114-L1227 PolarHBondContact N-O 2.8Å; H1114-L1227 PolarHBondContact O-N 2.71Å
1115S85.4Confident78.2Confident1 Ų130.1 Ų30.11%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-142163171.798.50000112.9H1125 C1126 S1127 W1224 A1225S1115-H1125 PolarHBondContact O-CD2 3.16Å; S1115-H1125 PolarHBondContact O-NE2 3.24Å; S1115-H1125 PolarHBondContact OG-CD2 2.9Å; S1115-H1125 PolarHBondContact OG-NE2 3.33Å; S1115-H1125 VanDerWaalsContact OG-NE2 3.11Å; S1115-C1126 CarbonylContact O-C 3.5Å; S1115-C1126 WeakPolarHBondContact O-CA 3.34Å; S1115-S1127 PolarHBondContact N-OG 3.34Å; S1115-S1127 PolarHBondContact O-N 2.78Å; S1115-W1224 PolarHBondContact OG-NE1 3.05Å; S1115-A1225 CarbonylContact C-O 3.37Å; S1115-A1225 VanDerWaalsContact CA-O 3.32Å; S1115-A1225 WeakPolarHBondContact CA-O 3.5Å
1116M85.4Confident78.2Confident1 Ų130 Ų301%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-139.8121.7176.1173.2175.4-76.900108.2L1118 L1123 H1125 C1126 R1133 F1136 F1137 V1140 W1224 A1225M1116-L1118 HydrophobicContact CG-CD2 4.12Å; M1116-L1118 HydrophobicContact SD-CD2 4.4Å; M1116-L1123 HydrophobicContact CE-CD1 4.21Å; M1116-L1123 HydrophobicContact CG-CD1 3.7Å; M1116-L1123 HydrophobicContact SD-CD1 4.23Å; M1116-H1125 CarbonylContact C-O 3.52Å; M1116-H1125 VanDerWaalsContact CA-O 3.3Å; M1116-H1125 WeakPolarHBondContact CA-O 3.26Å; M1116-C1126 HydrophobicContact CE-CB 4.24Å; M1116-C1126 WeakPolarHBondContact CE-SG 3.38Å; M1116-R1133 HydrophobicContact CE-CG 4.22Å; M1116-F1136 HydrophobicContact CB-CD1 4.41Å; M1116-F1136 HydrophobicContact CB-CE1 3.93Å; M1116-F1136 HydrophobicContact CE-CD1 3.74Å; M1116-F1136 HydrophobicContact CE-CE1 4.38Å; M1116-F1136 HydrophobicContact SD-CD1 3.87Å; M1116-F1136 HydrophobicContact SD-CE1 4.04Å; M1116-F1137 HydrophobicContact CE-CB 3.84Å; M1116-F1137 HydrophobicContact CE-CD2 4.3Å; M1116-F1137 HydrophobicContact SD-CB 4.21Å; M1116-F1137 HydrophobicContact SD-CD2 4.03Å; M1116-V1140 HydrophobicContact SD-CG2 4.4Å; M1116-W1224 CarbonylContact O-C 3.57Å; M1116-A1225 HydrophobicContact CB-CB 4.31Å; M1116-A1225 PolarHBondContact N-O 2.92Å; M1116-A1225 PolarHBondContact O-N 2.9Å
1117I85Confident78.2Confident1 Ų128 Ų281%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-111.3132.9177.1-53.7173.6000108.3L1098 V1102 L1124 H1125 I1222 T1223 W1224L1098-I1117 HydrophobicContact CD1-CD1 3.82Å; V1102-I1117 HydrophobicContact CG2-CD1 3.65Å; I1117-L1124 HydrophobicContact CB-CB 4.29Å; I1117-L1124 HydrophobicContact CG2-CB 4.17Å; I1117-L1124 HydrophobicContact CG2-CD2 3.91Å; I1117-L1124 WeakPolarHBondContact O-CA 3.44Å; I1117-L1124 WeakPolarHBondContact O-CB 3.33Å; I1117-L1124 PolarHBondContact O-N 2.65Å; I1117-H1125 HydrophobicContact CB-CB 4.03Å; I1117-H1125 HydrophobicContact CD1-CB 4.03Å; I1117-H1125 HydrophobicContact CG1-CB 4.06Å; I1117-H1125 PolarHBondContact N-O 3.19Å; I1117-H1125 PolarHBondContact O-N 2.89Å; I1117-I1222 HydrophobicContact CG2-CD1 3.87Å; I1117-I1222 HydrophobicContact CG2-CG1 3.89Å; I1117-T1223 CarbonylContact C-O 3.5Å; I1117-T1223 WeakPolarHBondContact CA-O 3.49Å; I1117-W1224 HydrophobicContact CD1-CD2 3.88Å; I1117-W1224 HydrophobicContact CD1-CE3 4.31Å; I1117-W1224 HydrophobicContact CD1-CG 4.3Å; I1117-W1224 HydrophobicContact CD1-CH2 4.3Å; I1117-W1224 HydrophobicContact CD1-CZ2 3.87Å; I1117-W1224 HydrophobicContact CG1-CB 4.4Å; I1117-W1224 HydrophobicContact CG1-CD2 3.84Å; I1117-W1224 HydrophobicContact CG1-CG 3.71Å; I1117-W1224 HydrophobicContact CG1-CZ2 4.49Å
1118L78.9Confident78Confident2 Ų222.2 Ų22.21%0.0112%0.116CC..EExtended strand (participates in β ladder)trans-116.6140.5173.3-48.9179.6000109.5M1116 Q1122 L1123 F1137 V1140 L1145 I1222 T1223M1116-L1118 HydrophobicContact CG-CD2 4.12Å; M1116-L1118 HydrophobicContact SD-CD2 4.4Å; L1118-Q1122 CarbonylContact C-O 3.3Å; L1118-Q1122 WeakPolarHBondContact CA-O 3.22Å; L1118-L1123 HydrophobicContact CD2-CB 4.31Å; L1118-L1123 HydrophobicContact CD2-CD1 3.52Å; L1118-F1137 HydrophobicContact CD2-CD2 4.1Å; L1118-F1137 HydrophobicContact CD2-CE2 3.74Å; L1118-V1140 HydrophobicContact CD1-CG1 3.97Å; L1118-L1145 HydrophobicContact CD1-CD1 3.55Å; L1118-L1145 HydrophobicContact CD1-CD2 4.36Å; L1118-L1145 HydrophobicContact CD1-CG 4.37Å; L1118-I1222 CarbonylContact O-C 3.26Å; L1118-I1222 WeakPolarHBondContact O-CA 3.09Å; L1118-I1222 WeakPolarHBondContact O-CG1 3.33Å; L1118-T1223 PolarHBondContact N-O 2.93Å; L1118-T1223 PolarHBondContact O-N 3.32Å
1119F75.9Confident77.4Confident1 Ų122.4 Ų22.40%0.00412%0.116CC..EExtended strand (participates in β ladder)trans-125.5122.8171.9172.7-109000109D1121 Q1122 L1124 G1221 M1257 L1260 E1264F1119-D1121 PolarHBondContact O-N 2.96Å; F1119-Q1122 PolarHBondContact N-O 2.85Å; F1119-Q1122 WeakPolarHBondContact O-CA 3.06Å; F1119-Q1122 WeakPolarHBondContact O-CB 3.36Å; F1119-Q1122 PolarHBondContact O-N 2.94Å; F1119-L1124 HydrophobicContact CB-CB 4.47Å; F1119-L1124 HydrophobicContact CB-CD1 4.1Å; F1119-L1124 HydrophobicContact CB-CD2 4.29Å; F1119-G1221 CarbonylContact C-O 3.44Å; F1119-G1221 VanDerWaalsContact CA-O 3.31Å; F1119-G1221 WeakPolarHBondContact CA-O 3.41Å; F1119-M1257 HydrophobicContact CD2-CE 3.53Å; F1119-M1257 HydrophobicContact CD2-SD 3.39Å; F1119-M1257 WeakPolarHBondContact CD2-SD 3.36Å; F1119-M1257 HydrophobicContact CE2-CE 3.48Å; F1119-M1257 VanDerWaalsContact CE2-CE 3.48Å; F1119-M1257 HydrophobicContact CE2-SD 3.61Å; F1119-L1260 HydrophobicContact CB-CD1 4.33Å; F1119-L1260 HydrophobicContact CD1-CB 4.32Å; F1119-L1260 HydrophobicContact CD1-CD1 4.16Å; F1119-L1260 HydrophobicContact CD1-CD2 4.42Å; F1119-L1260 HydrophobicContact CD2-CB 4.46Å; F1119-L1260 HydrophobicContact CD2-CD1 3.89Å; F1119-L1260 HydrophobicContact CE1-CB 3.79Å; F1119-L1260 HydrophobicContact CE1-CD1 4.44Å; F1119-L1260 HydrophobicContact CE1-CD2 4.5Å; F1119-L1260 HydrophobicContact CE1-CG 4.48Å; F1119-L1260 HydrophobicContact CE2-CB 3.95Å; F1119-L1260 HydrophobicContact CE2-CD1 4.19Å; F1119-L1260 HydrophobicContact CG-CD1 3.85Å; F1119-L1260 HydrophobicContact CZ-CB 3.58Å; F1119-L1260 HydrophobicContact CZ-CD1 4.46Å; F1119-E1264 HydrophobicContact CE1-CG 4.23Å; F1119-E1264 WeakPolarHBondContact CE1-OE2 3.15Å
1120N70.1Confident76.3Confident31 Ų3123.4 Ų23.417%0.16613%0.125CC..THydrogen-bonded Turntrans47.445.1-175-67.7-21.8000112.1Q1122 G1221 E1264 Y1280N1120-Q1122 PolarHBondContact O-N 2.85Å; N1120-G1221 PolarHBondContact N-O 3.37Å; N1120-E1264 PolarHBondContact ND2-OE2 2.91Å; N1120-Y1280 WeakPolarHBondContact O-CE1 3.4Å; N1120-Y1280 PolarHBondContact O-OH 3.46Å
1121D63.8Low75.7Confident52 Ų5222.6 Ų22.628%0.27811%0.114SC..THydrogen-bonded Turntrans58.61.5-172.3-57.7-34.7000116.5F1119 F1282F1119-D1121 PolarHBondContact O-N 2.96Å; D1121-F1282 HydrophobicContact CB-CZ 4.4Å
1122Q63Low75.1Confident39 Ų3921.7 Ų21.718%0.18211%0.111CC..EExtended strand (participates in β ladder)trans-79.8140.7169.7-53.5170.957.100110.2Y1087 C1088 L1118 F1119 N1120 E1264 Y1280Y1087-Q1122 PolarHBondContact O-OE1 3.19Å; Y1087-Q1122 VanDerWaalsContact O-OE1 3.13Å; C1088-Q1122 HydrophobicContact CB-CB 4Å; L1118-Q1122 CarbonylContact C-O 3.3Å; L1118-Q1122 WeakPolarHBondContact CA-O 3.22Å; F1119-Q1122 PolarHBondContact N-O 2.85Å; F1119-Q1122 WeakPolarHBondContact O-CA 3.06Å; F1119-Q1122 WeakPolarHBondContact O-CB 3.36Å; F1119-Q1122 PolarHBondContact O-N 2.94Å; N1120-Q1122 PolarHBondContact O-N 2.85Å; Q1122-E1264 PolarHBondContact NE2-OE1 2.76Å; Q1122-Y1280 HydrophobicContact CG-CE1 4.19Å
1123L68.5Low74.5Confident9 Ų922.3 Ų22.35%0.04711%0.113CC..EExtended strand (participates in β ladder)trans-71.5131.7176.1-17365.7000110.5Y1087 M1116 L1118 H1125 C1126 F1137Y1087-L1123 HydrophobicContact CD2-CB 3.86Å; Y1087-L1123 HydrophobicContact CD2-CD2 3.93Å; Y1087-L1123 HydrophobicContact CD2-CG 4.38Å; Y1087-L1123 HydrophobicContact CE2-CD2 4.13Å; Y1087-L1123 HydrophobicContact CG-CB 4.16Å; M1116-L1123 HydrophobicContact CE-CD1 4.21Å; M1116-L1123 HydrophobicContact CG-CD1 3.7Å; M1116-L1123 HydrophobicContact SD-CD1 4.23Å; L1118-L1123 HydrophobicContact CD2-CB 4.31Å; L1118-L1123 HydrophobicContact CD2-CD1 3.52Å; L1123-H1125 WeakPolarHBondContact CD1-O 3.35Å; L1123-C1126 HydrophobicContact CD1-CB 4.19Å; L1123-C1126 HydrophobicContact CD2-CB 4.27Å; L1123-F1137 HydrophobicContact CB-CE2 4.37Å; L1123-F1137 HydrophobicContact CD1-CD2 4.27Å
1124L72.6Confident73.7Confident1 Ų122.5 Ų22.51%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-115.9-40.1-176.2-160.479.4000112V1085 C1088 L1098 I1117 F1119 L1260V1085-L1124 VanDerWaalsContact CG2-O 3.25Å; V1085-L1124 WeakPolarHBondContact CG2-O 3.21Å; V1085-L1124 PolarHBondContact N-O 2.93Å; C1088-L1124 HydrophobicContact CB-CD1 3.9Å; L1098-L1124 HydrophobicContact CD1-CD2 3.72Å; L1098-L1124 HydrophobicContact CD2-CD2 3.68Å; L1098-L1124 HydrophobicContact CD2-CG 3.62Å; L1098-L1124 HydrophobicContact CG-CD2 4.35Å; I1117-L1124 HydrophobicContact CB-CB 4.29Å; I1117-L1124 HydrophobicContact CG2-CB 4.17Å; I1117-L1124 HydrophobicContact CG2-CD2 3.91Å; I1117-L1124 WeakPolarHBondContact O-CA 3.44Å; I1117-L1124 WeakPolarHBondContact O-CB 3.33Å; I1117-L1124 PolarHBondContact O-N 2.65Å; F1119-L1124 HydrophobicContact CB-CB 4.47Å; F1119-L1124 HydrophobicContact CB-CD1 4.1Å; F1119-L1124 HydrophobicContact CB-CD2 4.29Å; L1124-L1260 HydrophobicContact CD1-CD1 4.11Å; L1124-L1260 HydrophobicContact CD1-CD2 4.09Å; L1124-L1260 HydrophobicContact CD2-CD1 3.98Å
1125H78.5Confident72.9Confident5 Ų525.7 Ų25.72%0.02315%0.147CC..EExtended strand (participates in β ladder)trans-145.5148.6174.8161.890.1000110.3L1081 L1098 S1115 M1116 I1117 L1123 S1127L1081-H1125 WeakPolarHBondContact CD1-ND1 3.21Å; L1098-H1125 HydrophobicContact CD2-CB 4.41Å; S1115-H1125 PolarHBondContact O-CD2 3.16Å; S1115-H1125 PolarHBondContact O-NE2 3.24Å; S1115-H1125 PolarHBondContact OG-CD2 2.9Å; S1115-H1125 PolarHBondContact OG-NE2 3.33Å; S1115-H1125 VanDerWaalsContact OG-NE2 3.11Å; M1116-H1125 CarbonylContact C-O 3.52Å; M1116-H1125 VanDerWaalsContact CA-O 3.3Å; M1116-H1125 WeakPolarHBondContact CA-O 3.26Å; I1117-H1125 HydrophobicContact CB-CB 4.03Å; I1117-H1125 HydrophobicContact CD1-CB 4.03Å; I1117-H1125 HydrophobicContact CG1-CB 4.06Å; I1117-H1125 PolarHBondContact N-O 3.19Å; I1117-H1125 PolarHBondContact O-N 2.89Å; L1123-H1125 WeakPolarHBondContact CD1-O 3.35Å; H1125-S1127 PolarHBondContact NE2-N 3.15Å; H1125-S1127 PolarHBondContact NE2-OG 3.49Å
1126C80Confident72.6Confident0 Ų025.8 Ų25.80%015%0.147CC..EExtended strand (participates in β ladder)trans-158.9100168.7-175.40000114.6S1115 M1116 L1123 L1128 R1133S1115-C1126 CarbonylContact O-C 3.5Å; S1115-C1126 WeakPolarHBondContact O-CA 3.34Å; M1116-C1126 HydrophobicContact CE-CB 4.24Å; M1116-C1126 WeakPolarHBondContact CE-SG 3.38Å; L1123-C1126 HydrophobicContact CD1-CB 4.19Å; L1123-C1126 HydrophobicContact CD2-CB 4.27Å; C1126-L1128 PolarHBondContact O-N 3.1Å; C1126-L1128 VanDerWaalsContact O-N 3.1Å; C1126-R1133 HydrophobicContact CB-CG 4.48Å
1127S78.6Confident72.1Confident24 Ų2429.1 Ų29.117%0.16816%0.162CC..  trans-78.320.7176570000115.3H1114 S1115 H1125H1114-S1127 WeakPolarHBondContact CA-OG 3.16Å; H1114-S1127 PolarHBondContact ND1-O 3.06Å; S1115-S1127 PolarHBondContact N-OG 3.34Å; S1115-S1127 PolarHBondContact O-N 2.78Å; H1125-S1127 PolarHBondContact NE2-N 3.15Å; H1125-S1127 PolarHBondContact NE2-OG 3.49Å
1128L74.6Confident71.2Confident0 Ų034.8 Ų34.80%019%0.188CC..SBendtrans-92141.3171.5-78176.7000112.9H1114 C1126 R1133 F1136 L1200 L1202 L1227H1114-L1128 HydrophobicContact CB-CD2 3.74Å; H1114-L1128 HydrophobicContact CB-CG 4.08Å; C1126-L1128 PolarHBondContact O-N 3.1Å; C1126-L1128 VanDerWaalsContact O-N 3.1Å; L1128-R1133 PolarHBondContact O-NE 3.45Å; L1128-R1133 PolarHBondContact O-NH2 2.81Å; L1128-R1133 VanDerWaalsContact O-NH2 3.15Å; L1128-F1136 HydrophobicContact CD1-CB 3.62Å; L1128-F1136 HydrophobicContact CD1-CD1 3.35Å; L1128-F1136 HydrophobicContact CD1-CE1 4.14Å; L1128-F1136 HydrophobicContact CD1-CG 3.57Å; L1128-L1200 HydrophobicContact CD1-CD1 4.03Å; L1128-L1200 HydrophobicContact CD2-CD1 3.7Å; L1128-L1202 HydrophobicContact CD2-CD2 3.93Å; L1128-L1227 HydrophobicContact CD1-CD1 3.78Å; L1128-L1227 HydrophobicContact CD2-CD1 3.89Å; L1128-L1227 HydrophobicContact CG-CD1 4.06Å
1129P66.8Low70.9Confident37 Ų3737.7 Ų37.724%0.2420%0.2CC..  trans-56.5146.7170.2-24.634.1000112.9Q1131 S1132 R1133 L1202P1129-Q1131 PolarHBondContact O-N 3.17Å; P1129-S1132 PolarHBondContact O-N 3.44Å; P1129-R1133 PolarHBondContact O-N 2.86Å; P1129-L1202 HydrophobicContact CG-CD2 3.92Å
1130S60.3Low70.7Confident38 Ų3837.7 Ų37.727%0.26620%0.2SC..Hα-helixtrans-55.5-22-175.6-25.40000114.4
1131Q66.5Low70.4Confident63 Ų6338 Ų3829%0.29421%0.206SC..Hα-helixtrans-63.4-42.8172.6-67.7-179.8120.100113.3F911 P1129 L1202F911-Q1131 HydrophobicContact CD2-CG 4.01Å; F911-Q1131 HydrophobicContact CE2-CG 3.18Å; F911-Q1131 HydrophobicContact CZ-CG 3.81Å; P1129-Q1131 PolarHBondContact O-N 3.17Å; Q1131-L1202 PolarHBondContact NE2-O 2.93Å
1132S69.5Low70.2Confident6 Ų637.5 Ų37.54%0.04221%0.207CC..Hα-helixtrans-100.6-23.2-172.6-75.80000112P1129 T1134 T1135 F1136 R1201P1129-S1132 PolarHBondContact O-N 3.44Å; S1132-T1134 PolarHBondContact O-N 3.3Å; S1132-T1135 PolarHBondContact O-N 3.21Å; S1132-F1136 VanDerWaalsContact O-CB 3.31Å; S1132-F1136 WeakPolarHBondContact O-CB 3.39Å; S1132-F1136 PolarHBondContact O-N 2.76Å; S1132-R1201 PolarHBondContact OG-N 3.15Å; S1132-R1201 VanDerWaalsContact OG-N 3.12Å; S1132-R1201 PolarHBondContact OG-O 2.86Å
1133R73Confident70.1Confident23 Ų2342.3 Ų42.39%0.08723%0.227CC..Hα-helixtrans-53.9-51.3-178.1-172.8177.1-50.3124.5-6.6113.4E1083 M1116 C1126 L1128 P1129 T1135 F1136 F1137E1083-R1133 IonicContact OE1-NH1 3.59Å; E1083-R1133 IonicContact OE2-CZ 2.78Å; E1083-R1133 VanDerWaalsContact OE2-CZ 3.23Å; E1083-R1133 IonicContact OE2-NH1 2.72Å; E1083-R1133 PolarHBondContact OE2-NH1 3.29Å; E1083-R1133 IonicContact OE2-NH2 3.55Å; E1083-R1133 PolarHBondContact OE2-NH2 2.82Å; M1116-R1133 HydrophobicContact CE-CG 4.22Å; C1126-R1133 HydrophobicContact CB-CG 4.48Å; L1128-R1133 PolarHBondContact O-NE 3.45Å; L1128-R1133 PolarHBondContact O-NH2 2.81Å; L1128-R1133 VanDerWaalsContact O-NH2 3.15Å; P1129-R1133 PolarHBondContact O-N 2.86Å; R1133-T1135 PolarHBondContact O-N 2.75Å; R1133-F1136 PolarHBondContact O-N 3Å; R1133-F1137 VanDerWaalsContact O-CB 3.26Å; R1133-F1137 WeakPolarHBondContact O-CB 3.22Å; R1133-F1137 PolarHBondContact O-N 3.13Å
1134T66.1Low69.7Low106 Ų10643.5 Ų43.565%0.6523%0.233SC*.Hα-helixtrans-64-43.5-176.7-47.30000111.8S1132 H1138S1132-T1134 PolarHBondContact O-N 3.3Å; T1134-H1138 VanDerWaalsContact O-CB 3.29Å; T1134-H1138 WeakPolarHBondContact O-CB 3.07Å; T1134-H1138 PolarHBondContact O-N 3.08Å
1135T67.6Low68.8Low100 Ų10044.3 Ų44.361%0.61324%0.238SC*.Hα-helixtrans-65.6-41.8178.2-48.40000111.5S1132 R1133 Y1139S1132-T1135 PolarHBondContact O-N 3.21Å; R1133-T1135 PolarHBondContact O-N 2.75Å; T1135-Y1139 WeakPolarHBondContact O-CB 3.44Å; T1135-Y1139 PolarHBondContact O-N 3.06Å
1136F80.3Confident67.4Low2 Ų248 Ų481%0.00926%0.262CS..Hα-helixtrans-73.6-41.3179.7-175.1-110.1000112.7M1116 L1128 S1132 R1133 H1138 Y1139 V1140 V1198 L1200 L1214 A1225 L1227M1116-F1136 HydrophobicContact CB-CD1 4.41Å; M1116-F1136 HydrophobicContact CB-CE1 3.93Å; M1116-F1136 HydrophobicContact CE-CD1 3.74Å; M1116-F1136 HydrophobicContact CE-CE1 4.38Å; M1116-F1136 HydrophobicContact SD-CD1 3.87Å; M1116-F1136 HydrophobicContact SD-CE1 4.04Å; L1128-F1136 HydrophobicContact CD1-CB 3.62Å; L1128-F1136 HydrophobicContact CD1-CD1 3.35Å; L1128-F1136 HydrophobicContact CD1-CE1 4.14Å; L1128-F1136 HydrophobicContact CD1-CG 3.57Å; S1132-F1136 VanDerWaalsContact O-CB 3.31Å; S1132-F1136 WeakPolarHBondContact O-CB 3.39Å; S1132-F1136 PolarHBondContact O-N 2.76Å; R1133-F1136 PolarHBondContact O-N 3Å; F1136-H1138 VanDerWaalsContact C-N 3.33Å; F1136-H1138 PolarHBondContact O-N 2.73Å; F1136-Y1139 WeakPolarHBondContact O-CB 3.22Å; F1136-Y1139 PolarHBondContact O-N 3.18Å; F1136-Y1139 VanDerWaalsContact O-N 3.1Å; F1136-V1140 HydrophobicContact CD1-CG2 4.34Å; F1136-V1140 HydrophobicContact CE1-CG2 3.92Å; F1136-V1140 HydrophobicContact CE2-CG2 4.18Å; F1136-V1140 HydrophobicContact CZ-CG2 3.82Å; F1136-V1140 WeakPolarHBondContact O-CG2 3.18Å; F1136-V1140 PolarHBondContact O-N 3.1Å; F1136-V1198 HydrophobicContact CD2-CG1 3.92Å; F1136-V1198 HydrophobicContact CE2-CG1 4.08Å; F1136-V1198 HydrophobicContact CE2-CG2 4.41Å; F1136-L1200 HydrophobicContact CB-CD2 4.26Å; F1136-L1200 HydrophobicContact CD2-CD2 4.4Å; F1136-L1214 HydrophobicContact CE2-CD1 4.12Å; F1136-L1214 HydrophobicContact CE2-CD2 4.11Å; F1136-L1214 HydrophobicContact CZ-CD1 3.71Å; F1136-L1214 HydrophobicContact CZ-CD2 4.39Å; F1136-A1225 HydrophobicContact CE1-CB 4.21Å; F1136-A1225 HydrophobicContact CZ-CB 4.12Å; F1136-L1227 HydrophobicContact CD1-CD1 4.24Å; F1136-L1227 HydrophobicContact CD2-CD1 4.3Å; F1136-L1227 HydrophobicContact CE1-CD1 3.84Å; F1136-L1227 HydrophobicContact CE1-CG 4.35Å; F1136-L1227 HydrophobicContact CE2-CD1 3.93Å; F1136-L1227 HydrophobicContact CE2-CD2 3.76Å; F1136-L1227 HydrophobicContact CE2-CG 4.07Å; F1136-L1227 HydrophobicContact CG-CD1 4.45Å; F1136-L1227 HydrophobicContact CZ-CD1 3.67Å; F1136-L1227 HydrophobicContact CZ-CD2 3.96Å; F1136-L1227 HydrophobicContact CZ-CG 3.77Å
1137F74.1Confident65.5Low71 Ų7152.6 Ų52.631%0.31129%0.285SS..Hα-helixtrans-58.3-46.3171.1-179.7-92000110.7M1116 L1118 L1123 R1133 Y1139 V1140 A1141M1116-F1137 HydrophobicContact CE-CB 3.84Å; M1116-F1137 HydrophobicContact CE-CD2 4.3Å; M1116-F1137 HydrophobicContact SD-CB 4.21Å; M1116-F1137 HydrophobicContact SD-CD2 4.03Å; L1118-F1137 HydrophobicContact CD2-CD2 4.1Å; L1118-F1137 HydrophobicContact CD2-CE2 3.74Å; L1123-F1137 HydrophobicContact CB-CE2 4.37Å; L1123-F1137 HydrophobicContact CD1-CD2 4.27Å; R1133-F1137 VanDerWaalsContact O-CB 3.26Å; R1133-F1137 WeakPolarHBondContact O-CB 3.22Å; R1133-F1137 PolarHBondContact O-N 3.13Å; F1137-Y1139 VanDerWaalsContact C-N 3.3Å; F1137-Y1139 PolarHBondContact O-N 3.02Å; F1137-V1140 PolarHBondContact O-N 3.22Å; F1137-A1141 HydrophobicContact CE1-CB 4.33Å; F1137-A1141 VanDerWaalsContact O-CB 3.26Å; F1137-A1141 WeakPolarHBondContact O-CB 3.4Å; F1137-A1141 PolarHBondContact O-N 3.01Å
1138H67.7Low63.8Low120 Ų12053.7 Ų53.756%0.55629%0.292SS*.Hα-helixtrans-62.6-35.7174.8-173.1-76.8000112T1134 F1136 S1142T1134-H1138 VanDerWaalsContact O-CB 3.29Å; T1134-H1138 WeakPolarHBondContact O-CB 3.07Å; T1134-H1138 PolarHBondContact O-N 3.08Å; F1136-H1138 VanDerWaalsContact C-N 3.33Å; F1136-H1138 PolarHBondContact O-N 2.73Å; H1138-S1142 PolarHBondContact CE1-OG 2.8Å; H1138-S1142 VanDerWaalsContact CE1-OG 3.31Å; H1138-S1142 PolarHBondContact ND1-OG 2.85Å; H1138-S1142 WeakPolarHBondContact O-CB 3.19Å; H1138-S1142 PolarHBondContact O-N 2.87Å; H1138-S1142 PolarHBondContact O-OG 3.2Å
1139Y72.6Confident62Low64 Ų6457.2 Ų57.225%0.25131%0.31SS..Hα-helixtrans-64.8-50.1174.1-176.8-99.7000111.7T1135 F1136 F1137 A1141 K1143 L1144 V1198 L1214T1135-Y1139 WeakPolarHBondContact O-CB 3.44Å; T1135-Y1139 PolarHBondContact O-N 3.06Å; F1136-Y1139 WeakPolarHBondContact O-CB 3.22Å; F1136-Y1139 PolarHBondContact O-N 3.18Å; F1136-Y1139 VanDerWaalsContact O-N 3.1Å; F1137-Y1139 VanDerWaalsContact C-N 3.3Å; F1137-Y1139 PolarHBondContact O-N 3.02Å; Y1139-A1141 PolarHBondContact O-N 3.41Å; Y1139-K1143 HydrophobicContact CD2-CB 4.35Å; Y1139-K1143 HydrophobicContact CD2-CG 4Å; Y1139-K1143 HydrophobicContact CE2-CB 4.27Å; Y1139-K1143 HydrophobicContact CE2-CG 4.1Å; Y1139-K1143 WeakPolarHBondContact O-CA 3.41Å; Y1139-K1143 VanDerWaalsContact O-CB 3.23Å; Y1139-K1143 WeakPolarHBondContact O-CB 3.38Å; Y1139-K1143 PolarHBondContact O-N 3.21Å; Y1139-L1144 HydrophobicContact CD1-CD1 4.33Å; Y1139-L1144 HydrophobicContact CE1-CD1 4.05Å; Y1139-V1198 HydrophobicContact CE1-CG2 4.21Å; Y1139-L1214 HydrophobicContact CD1-CD2 4.26Å; Y1139-L1214 HydrophobicContact CE1-CD2 3.84Å
1140V70.5Confident60.5Low1 Ų165.3 Ų65.31%0.00634%0.336CS..Hα-helixtrans-59-50.4176.2176.20000110.4M1116 L1118 F1136 F1137 L1144 L1145 A1225M1116-V1140 HydrophobicContact SD-CG2 4.4Å; L1118-V1140 HydrophobicContact CD1-CG1 3.97Å; F1136-V1140 HydrophobicContact CD1-CG2 4.34Å; F1136-V1140 HydrophobicContact CE1-CG2 3.92Å; F1136-V1140 HydrophobicContact CE2-CG2 4.18Å; F1136-V1140 HydrophobicContact CZ-CG2 3.82Å; F1136-V1140 WeakPolarHBondContact O-CG2 3.18Å; F1136-V1140 PolarHBondContact O-N 3.1Å; F1137-V1140 PolarHBondContact O-N 3.22Å; V1140-L1144 HydrophobicContact CG2-CD1 4.48Å; V1140-L1144 CarbonylContact O-C 3.51Å; V1140-L1144 WeakPolarHBondContact O-CA 3.27Å; V1140-L1144 WeakPolarHBondContact O-CB 3.42Å; V1140-L1144 PolarHBondContact O-N 3.44Å; V1140-L1145 HydrophobicContact CG1-CD1 4.49Å; V1140-L1145 HydrophobicContact CG1-CG 4.22Å; V1140-L1145 PolarHBondContact O-N 2.83Å; V1140-A1225 HydrophobicContact CG2-CB 4.04Å
1141A63.5Low59.6Low36 Ų3666 Ų6630%0.29834%0.338SS..Hα-helixtrans-67-41.3-177.600000114.3F1137 Y1139 L1145F1137-A1141 HydrophobicContact CE1-CB 4.33Å; F1137-A1141 VanDerWaalsContact O-CB 3.26Å; F1137-A1141 WeakPolarHBondContact O-CB 3.4Å; F1137-A1141 PolarHBondContact O-N 3.01Å; Y1139-A1141 PolarHBondContact O-N 3.41Å; A1141-L1145 HydrophobicContact CB-CD1 4.19Å
1142S59.1Low58.2Low42 Ų4265.5 Ų65.529%0.29434%0.336SS..Hα-helixtrans-94.5-8.7-175.872.10000115.2H1138 P1146H1138-S1142 PolarHBondContact CE1-OG 2.8Å; H1138-S1142 VanDerWaalsContact CE1-OG 3.31Å; H1138-S1142 PolarHBondContact ND1-OG 2.85Å; H1138-S1142 WeakPolarHBondContact O-CB 3.19Å; H1138-S1142 PolarHBondContact O-N 2.87Å; H1138-S1142 PolarHBondContact O-OG 3.2Å; S1142-P1146 WeakPolarHBondContact O-CG 3.31Å
1143K61Low56.7Low140 Ų14068.6 Ų68.661%0.60935%0.354SS*.Hα-helixtrans-126.9-18.7-179.1-56.3-65.4169.5-166.40115.4Y1139Y1139-K1143 HydrophobicContact CD2-CB 4.35Å; Y1139-K1143 HydrophobicContact CD2-CG 4Å; Y1139-K1143 HydrophobicContact CE2-CB 4.27Å; Y1139-K1143 HydrophobicContact CE2-CG 4.1Å; Y1139-K1143 WeakPolarHBondContact O-CA 3.41Å; Y1139-K1143 VanDerWaalsContact O-CB 3.23Å; Y1139-K1143 WeakPolarHBondContact O-CB 3.38Å; Y1139-K1143 PolarHBondContact O-N 3.21Å
1144L60.9Low54.9Low34 Ų3475.2 Ų75.218%0.17838%0.379CS..THydrogen-bonded Turntrans-121.9-38.3-177-56.6172.1000113Y1139 V1140 P1146 L1214 V1216Y1139-L1144 HydrophobicContact CD1-CD1 4.33Å; Y1139-L1144 HydrophobicContact CE1-CD1 4.05Å; V1140-L1144 HydrophobicContact CG2-CD1 4.48Å; V1140-L1144 CarbonylContact O-C 3.51Å; V1140-L1144 WeakPolarHBondContact O-CA 3.27Å; V1140-L1144 WeakPolarHBondContact O-CB 3.42Å; V1140-L1144 PolarHBondContact O-N 3.44Å; L1144-P1146 VanDerWaalsContact N-CD 3.28Å; L1144-L1214 HydrophobicContact CD1-CD2 3.47Å; L1144-L1214 VanDerWaalsContact CD1-CD2 3.47Å; L1144-V1216 HydrophobicContact CD1-CG2 3.87Å
1145L54.1Low53.5Low18 Ų1874 Ų749%0.09437%0.368CS..THydrogen-bonded Turntrans-72.9-10.4169.5-58.5178.8000117.6L1118 V1140 A1141 M1147 S1148 T1223L1118-L1145 HydrophobicContact CD1-CD1 3.55Å; L1118-L1145 HydrophobicContact CD1-CD2 4.36Å; L1118-L1145 HydrophobicContact CD1-CG 4.37Å; V1140-L1145 HydrophobicContact CG1-CD1 4.49Å; V1140-L1145 HydrophobicContact CG1-CG 4.22Å; V1140-L1145 PolarHBondContact O-N 2.83Å; A1141-L1145 HydrophobicContact CB-CD1 4.19Å; L1145-M1147 CarbonylContact O-C 3.38Å; L1145-M1147 VanDerWaalsContact O-C 3.27Å; L1145-M1147 PolarHBondContact O-N 3.39Å; L1145-S1148 PolarHBondContact O-N 3.25Å; L1145-T1223 HydrophobicContact CD2-CG2 3.94Å
1146P47.8Very low51.9Low83 Ų8373.1 Ų73.154%0.53936%0.357SS..THydrogen-bonded Turntrans-55.9-15.1177.8-30.138000115.8S1142 L1144 S1148S1142-P1146 WeakPolarHBondContact O-CG 3.31Å; L1144-P1146 VanDerWaalsContact N-CD 3.28Å; P1146-S1148 PolarHBondContact O-N 3.02Å
1147M42Very low49.8Very low97 Ų9777.8 Ų77.848%0.47838%0.382SS..SBendtrans-70.673.8159.2-64.2-64-98.400109.7L1145 R1218L1145-M1147 CarbonylContact O-C 3.38Å; L1145-M1147 VanDerWaalsContact O-C 3.27Å; L1145-M1147 PolarHBondContact O-N 3.39Å; M1147-R1218 VanDerWaalsContact O-CZ 3.31Å; M1147-R1218 PolarHBondContact O-NH1 3.29Å; M1147-R1218 PolarHBondContact O-NH2 2.81Å
1148S40.9Very low47.9Very low46 Ų4680.2 Ų80.232%0.32239%0.394SS..  trans-56.6156.9-17674.20000113L1145 P1146 R1150 T1151L1145-S1148 PolarHBondContact O-N 3.25Å; P1146-S1148 PolarHBondContact O-N 3.02Å; S1148-R1150 PolarHBondContact O-N 3.48Å; S1148-R1150 VanDerWaalsContact O-N 3.08Å; S1148-R1150 WeakPolarHBondContact OG-CB 3.48Å; S1148-R1150 PolarHBondContact OG-N 3.44Å; S1148-T1151 WeakPolarHBondContact O-CB 3.49Å; S1148-T1151 PolarHBondContact O-N 2.94Å; S1148-T1151 PolarHBondContact O-OG1 3.44Å; S1148-T1151 PolarHBondContact OG-OG1 3.42Å
1149M36.8Very low46.4Very low75 Ų7580.7 Ų80.737%0.36940%0.397SS..Hα-helixtrans-57.7-23.2170-74.1-158.1-77.400112.6T1151 E1152 V1153M1149-T1151 PolarHBondContact O-N 2.91Å; M1149-E1152 PolarHBondContact O-N 3.15Å; M1149-V1153 VanDerWaalsContact O-CB 3.3Å; M1149-V1153 WeakPolarHBondContact O-CB 3.25Å; M1149-V1153 WeakPolarHBondContact O-CG2 3.32Å; M1149-V1153 PolarHBondContact O-N 2.97Å
1150R36.5Very low44.5Very low207 Ų20784.4 Ų84.478%0.78142%0.416SS*.Hα-helixtrans-71.20.3171.2-65179.6173.9169.5-1.7114.3S1148 R1154S1148-R1150 PolarHBondContact O-N 3.48Å; S1148-R1150 VanDerWaalsContact O-N 3.08Å; S1148-R1150 WeakPolarHBondContact OG-CB 3.48Å; S1148-R1150 PolarHBondContact OG-N 3.44Å; R1150-R1154 WeakPolarHBondContact O-CB 3.32Å; R1150-R1154 WeakPolarHBondContact O-CD 3.46Å
1151T40.5Very low42.7Very low53 Ų5392.6 Ų92.633%0.32546%0.455SS..Hα-helixtrans-103.9-46.7170.3-45.20000110.3S1148 M1149 R1154 L1155S1148-T1151 WeakPolarHBondContact O-CB 3.49Å; S1148-T1151 PolarHBondContact O-N 2.94Å; S1148-T1151 PolarHBondContact O-OG1 3.44Å; S1148-T1151 PolarHBondContact OG-OG1 3.42Å; M1149-T1151 PolarHBondContact O-N 2.91Å; T1151-R1154 PolarHBondContact O-N 3.44Å; T1151-L1155 HydrophobicContact CG2-CD1 4.5Å; T1151-L1155 WeakPolarHBondContact O-CG 3.25Å; T1151-L1155 PolarHBondContact O-N 3.25Å
1152E38.1Very low41.2Very low51 Ų5195.1 Ų95.124%0.23847%0.466CS..Hα-helixtrans-68.3-51179.2-73.1168.5162.300111.9M1149 R1154 L1155 E1156 Y1177 R1218M1149-E1152 PolarHBondContact O-N 3.15Å; E1152-R1154 PolarHBondContact O-N 3.05Å; E1152-L1155 PolarHBondContact O-N 3.41Å; E1152-E1156 PolarHBondContact O-N 3.01Å; E1152-Y1177 PolarHBondContact OE1-OH 3.13Å; E1152-R1218 IonicContact OE1-CZ 2.91Å; E1152-R1218 IonicContact OE1-NH1 2.86Å; E1152-R1218 PolarHBondContact OE1-NH1 3.29Å; E1152-R1218 IonicContact OE2-CZ 2.73Å; E1152-R1218 IonicContact OE2-NE 2.73Å; E1152-R1218 IonicContact OE2-NH1 3.98Å; E1152-R1218 PolarHBondContact OE2-NH1 3.26Å
1153V37Very low39.9Very low71 Ų71100.8 Ų100.843%0.4349%0.493SS..Hα-helixtrans-64.5-23.4175.3179.20000111.7M1149 L1157M1149-V1153 VanDerWaalsContact O-CB 3.3Å; M1149-V1153 WeakPolarHBondContact O-CB 3.25Å; M1149-V1153 WeakPolarHBondContact O-CG2 3.32Å; M1149-V1153 PolarHBondContact O-N 2.97Å; V1153-L1157 HydrophobicContact CG1-CD1 4.03Å; V1153-L1157 HydrophobicContact CG1-CG 4.47Å; V1153-L1157 WeakPolarHBondContact O-CB 3.36Å; V1153-L1157 VanDerWaalsContact O-CG 3.26Å; V1153-L1157 WeakPolarHBondContact O-CG 3.37Å; V1153-L1157 PolarHBondContact O-N 3.29Å
1154R35.2Very low38.4Very low163 Ų163101.5 Ų101.562%0.61550%0.504SS*.Hα-helixtrans-83.5-32.1177.9-167.4176.7-163.9153.85.2112.6R1150 T1151 E1152 Q1158R1150-R1154 WeakPolarHBondContact O-CB 3.32Å; R1150-R1154 WeakPolarHBondContact O-CD 3.46Å; T1151-R1154 PolarHBondContact O-N 3.44Å; E1152-R1154 PolarHBondContact O-N 3.05Å; R1154-Q1158 VanDerWaalsContact O-CB 3.3Å; R1154-Q1158 WeakPolarHBondContact O-CB 3.13Å; R1154-Q1158 VanDerWaalsContact O-CG 3.23Å; R1154-Q1158 WeakPolarHBondContact O-CG 3.43Å; R1154-Q1158 PolarHBondContact O-N 3.48Å
1155L37.8Very low37Very low79 Ų79108.4 Ų108.441%0.41454%0.535SS..Hα-helixtrans-65.1-44.9166.1-77.4164.2000110.1T1151 E1152 L1157 Q1158 Q1159T1151-L1155 HydrophobicContact CG2-CD1 4.5Å; T1151-L1155 WeakPolarHBondContact O-CG 3.25Å; T1151-L1155 PolarHBondContact O-N 3.25Å; E1152-L1155 PolarHBondContact O-N 3.41Å; L1155-L1157 PolarHBondContact O-N 3.16Å; L1155-Q1158 PolarHBondContact O-N 3.33Å; L1155-Q1159 VanDerWaalsContact O-CB 3.27Å; L1155-Q1159 WeakPolarHBondContact O-CB 3.27Å; L1155-Q1159 VanDerWaalsContact O-CG 3.26Å; L1155-Q1159 WeakPolarHBondContact O-CG 3.45Å; L1155-Q1159 PolarHBondContact O-N 3.19Å
1156E33.7Very low35.9Very low83 Ų83115.3 Ų115.339%0.38857%0.572SS.*Hα-helixtrans-59-47.8173.3-70.3-174.2134.200111.8E1152 Q1158 Q1159 Q1160E1152-E1156 PolarHBondContact O-N 3.01Å; E1156-Q1158 VanDerWaalsContact C-N 3.31Å; E1156-Q1158 PolarHBondContact O-N 2.86Å; E1156-Q1159 PolarHBondContact O-N 3.33Å; E1156-Q1160 VanDerWaalsContact O-CB 3.27Å; E1156-Q1160 WeakPolarHBondContact O-CB 3.29Å; E1156-Q1160 WeakPolarHBondContact O-CG 3.32Å; E1156-Q1160 PolarHBondContact O-N 3.11Å
1157L35.9Very low35.1Very low100 Ų100115.2 Ų115.252%0.52459%0.586SS.*Hα-helixtrans-70.6-19.1178.3-74.2170.4000114.8V1153 L1155 Q1161V1153-L1157 HydrophobicContact CG1-CD1 4.03Å; V1153-L1157 HydrophobicContact CG1-CG 4.47Å; V1153-L1157 WeakPolarHBondContact O-CB 3.36Å; V1153-L1157 VanDerWaalsContact O-CG 3.26Å; V1153-L1157 WeakPolarHBondContact O-CG 3.37Å; V1153-L1157 PolarHBondContact O-N 3.29Å; L1155-L1157 PolarHBondContact O-N 3.16Å; L1157-Q1161 WeakPolarHBondContact O-CG 3.19Å
1158Q34.5Very low34.4Very low121 Ų121119.7 Ų119.757%0.56560%0.603SS**Hα-helixtrans-89.6-27.9171.9-72.2-176.4-8200112.3R1154 L1155 E1156R1154-Q1158 VanDerWaalsContact O-CB 3.3Å; R1154-Q1158 WeakPolarHBondContact O-CB 3.13Å; R1154-Q1158 VanDerWaalsContact O-CG 3.23Å; R1154-Q1158 WeakPolarHBondContact O-CG 3.43Å; R1154-Q1158 PolarHBondContact O-N 3.48Å; L1155-Q1158 PolarHBondContact O-N 3.33Å; E1156-Q1158 VanDerWaalsContact C-N 3.31Å; E1156-Q1158 PolarHBondContact O-N 2.86Å
1159Q35.8Very low33.7Very low131 Ų131126.2 Ų126.261%0.61263%0.628SS**Hα-helixtrans-81.9-21.1173.7-70.6173.5-17.400112.6L1155 E1156 Q1161 T1162L1155-Q1159 VanDerWaalsContact O-CB 3.27Å; L1155-Q1159 WeakPolarHBondContact O-CB 3.27Å; L1155-Q1159 VanDerWaalsContact O-CG 3.26Å; L1155-Q1159 WeakPolarHBondContact O-CG 3.45Å; L1155-Q1159 PolarHBondContact O-N 3.19Å; E1156-Q1159 PolarHBondContact O-N 3.33Å; Q1159-Q1161 VanDerWaalsContact C-N 3.34Å; Q1159-T1162 VanDerWaalsContact O-O 3.11Å
1160Q33.1Very low33.4Very low142 Ų142128.5 Ų128.566%0.66465%0.652SS**THydrogen-bonded Turntrans-88.16.4172.8-70.4170.67.200113.8E1156E1156-Q1160 VanDerWaalsContact O-CB 3.27Å; E1156-Q1160 WeakPolarHBondContact O-CB 3.29Å; E1156-Q1160 WeakPolarHBondContact O-CG 3.32Å; E1156-Q1160 PolarHBondContact O-N 3.11Å
1161Q33.3Very low33.3Very low173 Ų173123.3 Ų123.381%0.80864%0.643SS**THydrogen-bonded Turntrans-11111.7172-72-167.9-24.300113.1L1157 Q1159L1157-Q1161 WeakPolarHBondContact O-CG 3.19Å; Q1159-Q1161 VanDerWaalsContact C-N 3.34Å
1162T31.9Very low33.4Very low89 Ų89128.5 Ų128.555%0.54666%0.656SS.*SBendtrans-137.8148.4173.149.30000108.4Q1159Q1159-T1162 VanDerWaalsContact O-O 3.11Å
1163D31.4Very low34Very low160 Ų160134.6 Ų134.686%0.85668%0.677SS**  trans65.278.8179.8-56.5-17.9000115.5
1164D30.1Very low34.8Very low156 Ų156131.7 Ų131.783%0.83466%0.662SS**  trans-56.8158150-83.5-62.1000111.6
1165Q29.9Very low36.1Very low179 Ų179131.4 Ų131.484%0.83666%0.661SS**SBendtrans86.1135.9164.7-43.6-165.82.700118.6
1166D32.2Very low37.3Very low163 Ų163129.2 Ų129.287%0.87265%0.648SS**  trans44.2105159.3-66-10.4000120.8
1167G29.6Very low38.7Very low81 Ų81127.7 Ų127.784%0.83564%0.639SS**  trans176.1130.3158.600000117
1168K29Very low39.5Very low191 Ų191126.1 Ų126.183%0.8363%0.628SS**  trans-75.2151.6165.1-67170.7179.6169.20110.5
1169Q25.9Very low39.8Very low182 Ų182124.9 Ų124.985%0.8563%0.626SS**  trans62.8110.2158.1-64.8166.3-7900117.6
1170S30.5Very low39.8Very low123 Ų123123 Ų12386%0.8663%0.632SS**  trans-136.8140.8137.9-168.80000109.2
1171V34.3Very low39.7Very low98 Ų98119.5 Ų119.559%0.59463%0.634SS**  trans-97.5136.8-173.2178.50000109.4R1173V1171-R1173 HydrophobicContact CB-CG 4.27Å; V1171-R1173 HydrophobicContact CG1-CG 3.96Å; V1171-R1173 PolarHBondContact O-N 3.43Å
1172R42.3Very low39.4Very low162 Ų162117 Ų11761%0.61164%0.636SS**  trans-7167.2170.6-75-176.7167.7174.4-4111.5N1219R1172-N1219 PolarHBondContact O-ND2 2.82Å
1173R51.5Low39.4Very low179 Ų179116.4 Ų116.468%0.67564%0.64SS**  trans-70.7140.5171.1-70.7-170.5173.5153-2.2110.3V1171 E1246V1171-R1173 HydrophobicContact CB-CG 4.27Å; V1171-R1173 HydrophobicContact CG1-CG 3.96Å; V1171-R1173 PolarHBondContact O-N 3.43Å; R1173-E1246 WeakPolarHBondContact CB-OE2 3.43Å; R1173-E1246 WeakPolarHBondContact CD-OE2 3.31Å; R1173-E1246 VanDerWaalsContact CG-OE2 3.25Å; R1173-E1246 WeakPolarHBondContact CG-OE2 3.39Å
1174G52.1Low39.2Very low11 Ų11116.9 Ų116.911%0.11364%0.643CS.*  trans-72.2159.6173.200000112R1218 E1246G1174-R1218 CarbonylContact C-O 3.48Å; G1174-R1218 WeakPolarHBondContact CA-O 3.39Å; G1174-E1246 PolarHBondContact N-OE1 3.39Å
1175R63.7Low39.3Very low157 Ų157115.3 Ų115.359%0.59264%0.639SS**EExtended strand (participates in β ladder)trans-109.8128.6178.2-64.9-177.4179-169.4-1.4109.7Y1177 R1218R1175-Y1177 HydrophobicContact CB-CD2 4.37Å; R1175-Y1177 HydrophobicContact CB-CE2 3.85Å; R1175-R1218 PolarHBondContact N-O 2.82Å; R1175-R1218 PolarHBondContact O-N 3.28Å
1176F62.4Low39.2Very low32 Ų32110.2 Ų110.214%0.1463%0.634CS.*EExtended strand (participates in β ladder)trans-87.5131.6168.3-67.8-85.1000109.7F1178 L1215 V1216 Y1217 F1241 F1242 F1245 E1246F1176-F1178 HydrophobicContact CB-CE2 3.88Å; F1176-F1178 HydrophobicContact CB-CZ 3.86Å; F1176-F1178 VanDerWaalsContact O-CE2 3.25Å; F1176-F1178 WeakPolarHBondContact O-CE2 3.2Å; F1176-L1215 HydrophobicContact CB-CD1 4.37Å; F1176-L1215 HydrophobicContact CD1-CD1 3.8Å; F1176-L1215 HydrophobicContact CD1-CD2 3.97Å; F1176-L1215 HydrophobicContact CD1-CG 3.99Å; F1176-L1215 HydrophobicContact CE1-CD2 3.97Å; F1176-L1215 HydrophobicContact CE1-CG 4.45Å; F1176-L1215 HydrophobicContact CG-CD1 4.47Å; F1176-V1216 CarbonylContact C-O 3.34Å; F1176-V1216 VanDerWaalsContact CA-O 3.28Å; F1176-V1216 WeakPolarHBondContact CA-O 3.47Å; F1176-Y1217 AromaticContact CD1-CD2 3.94Å; F1176-Y1217 HydrophobicContact CD1-CD2 3.94Å; F1176-Y1217 HydrophobicContact CD1-CG 4.47Å; F1176-Y1217 HydrophobicContact CD2-CD2 4.12Å; F1176-Y1217 AromaticContact CE1-CD2 3.52Å; F1176-Y1217 HydrophobicContact CE1-CD2 3.52Å; F1176-Y1217 HydrophobicContact CE1-CG 4.05Å; F1176-Y1217 AromaticContact CE2-CD2 3.69Å; F1176-Y1217 HydrophobicContact CE2-CD2 3.69Å; F1176-Y1217 AromaticContact CE2-CE2 4Å; F1176-Y1217 HydrophobicContact CE2-CE2 4Å; F1176-Y1217 HydrophobicContact CG-CD2 4.25Å; F1176-Y1217 AromaticContact CZ-CD2 3.38Å; F1176-Y1217 HydrophobicContact CZ-CD2 3.38Å; F1176-Y1217 AromaticContact CZ-CE2 3.96Å; F1176-Y1217 HydrophobicContact CZ-CE2 3.96Å; F1176-Y1217 HydrophobicContact CZ-CG 4.27Å; F1176-F1241 HydrophobicContact CE1-CE1 4.49Å; F1176-F1242 HydrophobicContact CB-CE1 4.33Å; F1176-F1242 HydrophobicContact CB-CZ 4.49Å; F1176-F1242 AromaticContact CD1-CD1 3.68Å; F1176-F1242 HydrophobicContact CD1-CD1 3.68Å; F1176-F1242 AromaticContact CD1-CE1 3.72Å; F1176-F1242 HydrophobicContact CD1-CE1 3.72Å; F1176-F1242 HydrophobicContact CD2-CB 3.96Å; F1176-F1242 AromaticContact CD2-CD1 3.57Å; F1176-F1242 HydrophobicContact CD2-CD1 3.57Å; F1176-F1242 HydrophobicContact CD2-CD2 4.35Å; F1176-F1242 HydrophobicContact CD2-CE1 4.22Å; F1176-F1242 AromaticContact CD2-CG 3.69Å; F1176-F1242 HydrophobicContact CD2-CG 3.69Å; F1176-F1242 AromaticContact CE1-CD1 3.58Å; F1176-F1242 HydrophobicContact CE1-CD1 3.58Å; F1176-F1242 AromaticContact CE1-CE1 3.97Å; F1176-F1242 HydrophobicContact CE1-CE1 3.97Å; F1176-F1242 HydrophobicContact CE2-CB 3.57Å; F1176-F1242 AromaticContact CE2-CD1 3.5Å; F1176-F1242 HydrophobicContact CE2-CD1 3.5Å; F1176-F1242 HydrophobicContact CE2-CE1 4.46Å; F1176-F1242 AromaticContact CE2-CG 3.7Å; F1176-F1242 HydrophobicContact CE2-CG 3.7Å; F1176-F1242 AromaticContact CG-CD1 3.65Å; F1176-F1242 HydrophobicContact CG-CD1 3.65Å; F1176-F1242 AromaticContact CG-CE1 3.83Å; F1176-F1242 HydrophobicContact CG-CE1 3.83Å; F1176-F1242 HydrophobicContact CG-CG 4.15Å; F1176-F1242 HydrophobicContact CG-CZ 4.43Å; F1176-F1242 HydrophobicContact CZ-CB 4.15Å; F1176-F1242 AromaticContact CZ-CD1 3.49Å; F1176-F1242 HydrophobicContact CZ-CD1 3.49Å; F1176-F1242 VanDerWaalsContact CZ-CD1 3.49Å; F1176-F1242 HydrophobicContact CZ-CE1 4.33Å; F1176-F1242 HydrophobicContact CZ-CG 4.14Å; F1176-F1245 HydrophobicContact CE1-CD1 4.45Å; F1176-F1245 HydrophobicContact CZ-CB 4.4Å; F1176-F1245 AromaticContact CZ-CD1 3.84Å; F1176-F1245 HydrophobicContact CZ-CD1 3.84Å; F1176-F1245 HydrophobicContact CZ-CG 4.31Å; F1176-E1246 HydrophobicContact CE2-CG 4.39Å
1177Y62.6Low39.2Very low52 Ų52110.9 Ų110.920%0.20464%0.637CS.*EExtended strand (participates in β ladder)trans-107.4136.5-176.7-78.1-95.9000111.7E1152 R1175 V1216 R1218E1152-Y1177 PolarHBondContact OE1-OH 3.13Å; R1175-Y1177 HydrophobicContact CB-CD2 4.37Å; R1175-Y1177 HydrophobicContact CB-CE2 3.85Å; Y1177-V1216 PolarHBondContact N-O 3.45Å; Y1177-R1218 HydrophobicContact CD2-CB 4.08Å; Y1177-R1218 HydrophobicContact CE2-CB 3.75Å; Y1177-R1218 HydrophobicContact CE2-CG 4.43Å
1178F53.6Low39.1Very low67 Ų67110.1 Ų110.129%0.29463%0.63SS.*  trans-129.1153.2-176.7-50-94.9000109.8F1176 A1180 A1193 L1195 L1215 F1242F1176-F1178 HydrophobicContact CB-CE2 3.88Å; F1176-F1178 HydrophobicContact CB-CZ 3.86Å; F1176-F1178 VanDerWaalsContact O-CE2 3.25Å; F1176-F1178 WeakPolarHBondContact O-CE2 3.2Å; F1178-A1180 PolarHBondContact O-N 3.32Å; F1178-A1193 HydrophobicContact CB-CB 4.21Å; F1178-A1193 HydrophobicContact CD1-CB 3.85Å; F1178-A1193 HydrophobicContact CE1-CB 4.41Å; F1178-A1193 HydrophobicContact CG-CB 3.98Å; F1178-L1195 HydrophobicContact CD1-CD2 3.62Å; F1178-L1195 HydrophobicContact CD1-CG 4.35Å; F1178-L1195 HydrophobicContact CE1-CD2 3.76Å; F1178-L1215 HydrophobicContact CE1-CD1 4.16Å; F1178-L1215 HydrophobicContact CZ-CD1 4.48Å; F1178-F1242 HydrophobicContact CE1-CE2 4.22Å; F1178-F1242 AromaticContact CE1-CZ 3.8Å; F1178-F1242 HydrophobicContact CE1-CZ 3.8Å; F1178-F1242 AromaticContact CZ-CE2 3.66Å; F1178-F1242 HydrophobicContact CZ-CE2 3.66Å; F1178-F1242 AromaticContact CZ-CZ 3.54Å; F1178-F1242 HydrophobicContact CZ-CZ 3.54Å
1179N41.6Very low39.2Very low95 Ų95107.5 Ų107.551%0.50863%0.625SS.*SBendtrans-99.874.1-176.7-168.68.4000112.4P1196N1179-P1196 HydrophobicContact CB-CB 3.69Å; N1179-P1196 HydrophobicContact CB-CG 3.7Å
1180A35.4Very low39.6Very low90 Ų90107.6 Ų107.674%0.74462%0.622SS**SBendtrans-141.8141.9157.100000106.9F1178F1178-A1180 PolarHBondContact O-N 3.32Å
1181G31.4Very low39.7Very low69 Ų69106.9 Ų106.971%0.71162%0.617SS**  trans-84.5142.9-164.100000115.3
1182S27.2Very low40.2Very low122 Ų122109.9 Ų109.985%0.85362%0.623SS**  trans67.5161.616468.10000118.3
1183A30.4Very low40.6Very low75 Ų75104.1 Ų104.162%0.6261%0.61SS**  trans63.9130.2-173.200000114.8
1184D28.5Very low40.9Very low171 Ų171103.5 Ų103.591%0.91461%0.612SS**  cis60.643.9-2.8-149.936000116.7
1185T32Very low41.6Very low123 Ų123103.3 Ų103.376%0.75561%0.608SS**  trans-144.7146.3150.8470000108.4
1186G28Very low41.8Very low71 Ų7196.3 Ų96.373%0.73258%0.583SS**  trans-80.9-168.5173.400000113.8
1187D30.8Very low42.3Very low177 Ų17797 Ų9795%0.94759%0.592SS**  trans69.7152.6-174-144.3-7.3000115
1188G27.5Very low42.9Very low65 Ų6595.1 Ų95.167%0.6759%0.586SS**  trans-117.6131.5-154.400000116.2
1189D32.5Very low44.2Very low137 Ų13798.5 Ų98.573%0.73360%0.597SS**  trans-147.2167.9143.4-148.2-9.1000112.8S1191D1189-S1191 VanDerWaalsContact C-N 3.31Å; D1189-S1191 PolarHBondContact O-N 2.82Å
1190K32.5Very low45.9Very low183 Ų18394.3 Ų94.380%0.79658%0.575SS**  trans-83.754-158.6-61.8146.1-173.3152.20114F1192K1190-F1192 PolarHBondContact O-N 3.44Å
1191S33.1Very low47.6Very low108 Ų10894.5 Ų94.576%0.75556%0.556SS**  trans-86.597.3173.753.60000111.6D1189 A1193D1189-S1191 VanDerWaalsContact C-N 3.31Å; D1189-S1191 PolarHBondContact O-N 2.82Å; S1191-A1193 PolarHBondContact O-N 3.2Å
1192F44.7Very low49.4Very low161 Ų16192.6 Ų92.671%0.70653%0.53SS*.  trans-60.4111.3174.2-78.1-92.7000111K1190 K1194K1190-F1192 PolarHBondContact O-N 3.44Å; F1192-K1194 PolarHBondContact O-N 3.14Å; F1192-K1194 VanDerWaalsContact O-N 3.16Å
1193A51.6Low51.1Low41 Ų4188.4 Ų88.434%0.33950%0.498SS..  trans-62.1116.2-179.900000110.9F1178 S1191 L1195F1178-A1193 HydrophobicContact CB-CB 4.21Å; F1178-A1193 HydrophobicContact CD1-CB 3.85Å; F1178-A1193 HydrophobicContact CE1-CB 4.41Å; F1178-A1193 HydrophobicContact CG-CB 3.98Å; S1191-A1193 PolarHBondContact O-N 3.2Å; A1193-L1195 PolarHBondContact O-N 3.5Å
1194K56.9Low52Low167 Ų16789 Ų8973%0.72648%0.484SS*.  trans-76.199.4-176-168.3171.8-172.3171.80109.8F1192F1192-K1194 PolarHBondContact O-N 3.14Å; F1192-K1194 VanDerWaalsContact O-N 3.16Å
1195L67.2Low52.9Low6 Ų683.7 Ų83.73%0.03146%0.46CS..PPolyproline II helixtrans-48.3131.5-179.3-74.8162.8000111.9F1178 A1193 S1197 R1213 L1214 L1215 L1228 V1233F1178-L1195 HydrophobicContact CD1-CD2 3.62Å; F1178-L1195 HydrophobicContact CD1-CG 4.35Å; F1178-L1195 HydrophobicContact CE1-CD2 3.76Å; A1193-L1195 PolarHBondContact O-N 3.5Å; L1195-S1197 PolarHBondContact O-N 2.97Å; L1195-R1213 HydrophobicContact CB-CB 4.14Å; L1195-R1213 WeakPolarHBondContact O-CD 3.28Å; L1195-R1213 PolarHBondContact O-NH1 3.03Å; L1195-L1214 WeakPolarHBondContact CD2-O 3.45Å; L1195-L1215 HydrophobicContact CD2-CB 4.06Å; L1195-L1215 HydrophobicContact CD2-CD1 3.63Å; L1195-L1215 HydrophobicContact CD2-CG 4.49Å; L1195-L1228 HydrophobicContact CD1-CD1 4.38Å; L1195-V1233 HydrophobicContact CD1-CG1 3.73Å
1196P68Low54Low11 Ų1179.7 Ų79.77%0.07144%0.436CS..PPolyproline II helixtrans-51.6133.5-176.56.9-20.4000112.7N1179 R1213 L1214N1179-P1196 HydrophobicContact CB-CB 3.69Å; N1179-P1196 HydrophobicContact CB-CG 3.7Å; P1196-R1213 CarbonylContact O-C 3.22Å; P1196-R1213 WeakPolarHBondContact O-CA 3.29Å; P1196-L1214 HydrophobicContact CB-CB 4.39Å; P1196-L1214 VanDerWaalsContact CD-O 3.27Å; P1196-L1214 WeakPolarHBondContact CD-O 3.4Å; P1196-L1214 HydrophobicContact CG-CB 4.05Å; P1196-L1214 HydrophobicContact CG-CG 4.39Å; P1196-L1214 WeakPolarHBondContact CG-O 3.32Å; P1196-L1214 PolarHBondContact O-N 3.37Å
1197S72.7Confident55.2Low46 Ų4683.3 Ų83.332%0.32244%0.439SS..EExtended strand (participates in β ladder)trans-78.8132.2169.8-64.90000110.1L1195 Q1211 F1212L1195-S1197 PolarHBondContact O-N 2.97Å; S1197-Q1211 PolarHBondContact OG-NE2 3.2Å; S1197-F1212 WeakPolarHBondContact CA-O 3.38Å
1198V75.5Confident56.5Low12 Ų1278.1 Ų78.17%0.07342%0.416CS..EExtended strand (participates in β ladder)trans-125.1133.9173.3-175.10000108.8F1136 Y1139 L1200 Q1211 F1212 L1214 L1227F1136-V1198 HydrophobicContact CD2-CG1 3.92Å; F1136-V1198 HydrophobicContact CE2-CG1 4.08Å; F1136-V1198 HydrophobicContact CE2-CG2 4.41Å; Y1139-V1198 HydrophobicContact CE1-CG2 4.21Å; V1198-L1200 HydrophobicContact CG1-CD1 4.23Å; V1198-L1200 HydrophobicContact CG1-CD2 3.77Å; V1198-L1200 HydrophobicContact CG1-CG 3.88Å; V1198-Q1211 WeakPolarHBondContact O-CA 3.31Å; V1198-F1212 PolarHBondContact N-O 2.91Å; V1198-F1212 PolarHBondContact O-N 2.99Å; V1198-L1214 HydrophobicContact CG2-CB 3.6Å; V1198-L1214 HydrophobicContact CG2-CD2 3.96Å; V1198-L1214 HydrophobicContact CG2-CG 4.4Å; V1198-L1227 HydrophobicContact CB-CD2 3.96Å; V1198-L1227 HydrophobicContact CG1-CD2 4.25Å; V1198-L1227 HydrophobicContact CG2-CD2 4.26Å
1199Y80Confident58.4Low138 Ų13878.7 Ų78.754%0.54140%0.404SS..EExtended strand (participates in β ladder)trans-110.6121.1-178-63.2-90.3000109.5Q1210 Q1211Y1199-Q1210 WeakPolarHBondContact CA-O 3.34Å; Y1199-Q1211 HydrophobicContact CD1-CB 3.85Å; Y1199-Q1211 HydrophobicContact CD1-CG 4.06Å; Y1199-Q1211 HydrophobicContact CE1-CB 3.64Å; Y1199-Q1211 VanDerWaalsContact CE1-CD 3.48Å; Y1199-Q1211 HydrophobicContact CE1-CG 3.56Å; Y1199-Q1211 PolarHBondContact OH-NE2 3.31Å; Y1199-Q1211 PolarHBondContact OH-OE1 2.87Å; Y1199-Q1211 VanDerWaalsContact OH-OE1 3.13Å
1200L77.1Confident60.5Low7 Ų776.4 Ų76.44%0.03739%0.389CS..EExtended strand (participates in β ladder)trans-133.4139.4-171.1-58.8175.9000111.7L1128 F1136 V1198 L1202 Q1210 F1212 L1227L1128-L1200 HydrophobicContact CD1-CD1 4.03Å; L1128-L1200 HydrophobicContact CD2-CD1 3.7Å; F1136-L1200 HydrophobicContact CB-CD2 4.26Å; F1136-L1200 HydrophobicContact CD2-CD2 4.4Å; V1198-L1200 HydrophobicContact CG1-CD1 4.23Å; V1198-L1200 HydrophobicContact CG1-CD2 3.77Å; V1198-L1200 HydrophobicContact CG1-CG 3.88Å; L1200-L1202 HydrophobicContact CB-CD2 4.29Å; L1200-Q1210 PolarHBondContact N-O 3.26Å; L1200-Q1210 PolarHBondContact O-N 3.02Å; L1200-F1212 HydrophobicContact CB-CD2 4.44Å; L1200-F1212 HydrophobicContact CB-CE2 4.39Å; L1200-F1212 HydrophobicContact CD1-CD2 4.17Å; L1200-F1212 HydrophobicContact CG-CD2 4.46Å; L1200-L1227 HydrophobicContact CD1-CD1 3.48Å; L1200-L1227 VanDerWaalsContact CD1-CD1 3.48Å; L1200-L1227 HydrophobicContact CD1-CD2 4.18Å; L1200-L1227 HydrophobicContact CD1-CG 4.46Å
1201R72.4Confident62.7Low94 Ų9470.8 Ų70.836%0.35537%0.365SS..  trans-93.2107.2175.6-158.6162.6-61.3-176.74.2109.7S1132 D1209S1132-R1201 PolarHBondContact OG-N 3.15Å; S1132-R1201 VanDerWaalsContact OG-N 3.12Å; S1132-R1201 PolarHBondContact OG-O 2.86Å; R1201-D1209 WeakPolarHBondContact CB-OD1 3.45Å; R1201-D1209 IonicContact CZ-OD1 2.61Å; R1201-D1209 VanDerWaalsContact CZ-OD1 3.24Å; R1201-D1209 IonicContact CZ-OD2 3.68Å; R1201-D1209 IonicContact NE-OD1 3.82Å; R1201-D1209 PolarHBondContact NE-OD1 2.88Å; R1201-D1209 VanDerWaalsContact NH2-CG 3.27Å; R1201-D1209 IonicContact NH2-OD1 2.68Å; R1201-D1209 PolarHBondContact NH2-OD1 2.94Å; R1201-D1209 IonicContact NH2-OD2 3.56Å; R1201-D1209 PolarHBondContact NH2-OD2 3.24Å
1202L69.4Low65.2Low30 Ų3066 Ų6616%0.15733%0.331CS..  trans-99.3-47.6-174.6-59.8-179.2000112.3H1114 L1128 P1129 Q1131 L1200 F1212H1114-L1202 VanDerWaalsContact NE2-CD1 3.28Å; H1114-L1202 WeakPolarHBondContact NE2-CD1 3.36Å; L1128-L1202 HydrophobicContact CD2-CD2 3.93Å; P1129-L1202 HydrophobicContact CG-CD2 3.92Å; Q1131-L1202 PolarHBondContact NE2-O 2.93Å; L1200-L1202 HydrophobicContact CB-CD2 4.29Å; L1202-F1212 HydrophobicContact CD1-CE2 3.7Å; L1202-F1212 HydrophobicContact CD1-CZ 3.47Å; L1202-F1212 VanDerWaalsContact CD1-CZ 3.47Å; L1202-F1212 HydrophobicContact CG-CE2 4.44Å
1203D61.4Low67Low33 Ų3359.1 Ų59.118%0.17630%0.3CS..  trans-95150.5172.6177.337.6000111.7S1205 T1206D1203-S1205 VanDerWaalsContact CG-N 3.26Å; D1203-S1205 PolarHBondContact OD1-N 2.9Å; D1203-S1205 PolarHBondContact OD1-OG 2.92Å; D1203-S1205 WeakPolarHBondContact OD2-CA 3.46Å; D1203-S1205 WeakPolarHBondContact OD2-CB 3.43Å; D1203-S1205 PolarHBondContact OD2-N 3.45Å; D1203-S1205 VanDerWaalsContact OD2-N 3.09Å; D1203-S1205 PolarHBondContact OD2-OG 3.33Å; D1203-S1205 VanDerWaalsContact OD2-OG 3.06Å; D1203-T1206 PolarHBondContact OD2-N 3.48Å; D1203-T1206 VanDerWaalsContact OD2-N 3.17Å
1204R50.2Low68.5Low88 Ų8857.2 Ų57.233%0.33228%0.284SS..SBendtrans-89-26.2177.6-52.6158.7176.7-82.4-154.2112S909 R910 F911 T1206S909-R1204 PolarHBondContact O-NE 3.37Å; S909-R1204 PolarHBondContact O-NH1 3.29Å; R910-R1204 PolarHBondContact O-NH1 2.83Å; R910-R1204 VanDerWaalsContact O-NH1 3.15Å; R910-R1204 PolarHBondContact O-NH2 2.98Å; F911-R1204 VanDerWaalsContact CD2-CZ 3.47Å; F911-R1204 VanDerWaalsContact CE2-NH2 3.32Å; F911-R1204 VanDerWaalsContact N-NH1 3.16Å; R1204-T1206 VanDerWaalsContact C-N 3.31Å
1205S48.4Very low69.7Low59 Ų5949.3 Ų49.341%0.41325%0.25SC..SBendtrans-76.7-23.2-177-27.70000111.5F906 D1203F906-S1205 WeakPolarHBondContact CD1-OG 3.49Å; D1203-S1205 VanDerWaalsContact CG-N 3.26Å; D1203-S1205 PolarHBondContact OD1-N 2.9Å; D1203-S1205 PolarHBondContact OD1-OG 2.92Å; D1203-S1205 WeakPolarHBondContact OD2-CA 3.46Å; D1203-S1205 WeakPolarHBondContact OD2-CB 3.43Å; D1203-S1205 PolarHBondContact OD2-N 3.45Å; D1203-S1205 VanDerWaalsContact OD2-N 3.09Å; D1203-S1205 PolarHBondContact OD2-OG 3.33Å; D1203-S1205 VanDerWaalsContact OD2-OG 3.06Å
1206T53.6Low70.2Confident39 Ų3949.2 Ų49.224%0.23925%0.25CC..  trans-107.6125.9177.361.20000112.3F906 D1203 R1204 S1208F906-T1206 HydrophobicContact CZ-CG2 4.3Å; D1203-T1206 PolarHBondContact OD2-N 3.48Å; D1203-T1206 VanDerWaalsContact OD2-N 3.17Å; R1204-T1206 VanDerWaalsContact C-N 3.31Å; T1206-S1208 WeakPolarHBondContact CB-OG 3.42Å; T1206-S1208 PolarHBondContact O-N 2.75Å
1207N53Low70.9Confident148 Ų14848.7 Ų48.779%0.79125%0.246SC*.  trans-75.89.6170.3-103.1-16.5000113.8
1208S59.1Low70.9Confident68 Ų6847.4 Ų47.448%0.47623%0.234SC..PPolyproline II helixtrans-94.4123.3179.955.90000111.7T1206T1206-S1208 WeakPolarHBondContact CB-OG 3.42Å; T1206-S1208 PolarHBondContact O-N 2.75Å
1209D67.8Low70.6Confident77 Ų7747.8 Ų47.841%0.41224%0.236SC..PPolyproline II helixtrans-75132.8169.6-59.1-47.4000110.1R1201R1201-D1209 WeakPolarHBondContact CB-OD1 3.45Å; R1201-D1209 IonicContact CZ-OD1 2.61Å; R1201-D1209 VanDerWaalsContact CZ-OD1 3.24Å; R1201-D1209 IonicContact CZ-OD2 3.68Å; R1201-D1209 IonicContact NE-OD1 3.82Å; R1201-D1209 PolarHBondContact NE-OD1 2.88Å; R1201-D1209 VanDerWaalsContact NH2-CG 3.27Å; R1201-D1209 IonicContact NH2-OD1 2.68Å; R1201-D1209 PolarHBondContact NH2-OD1 2.94Å; R1201-D1209 IonicContact NH2-OD2 3.56Å; R1201-D1209 PolarHBondContact NH2-OD2 3.24Å
1210Q75.7Confident70Confident88 Ų8845.4 Ų45.441%0.41124%0.236SC..EExtended strand (participates in β ladder)trans-90137.7179.7-63.5-172.621.900110.3Y1199 L1200 F1212Y1199-Q1210 WeakPolarHBondContact CA-O 3.34Å; L1200-Q1210 PolarHBondContact N-O 3.26Å; L1200-Q1210 PolarHBondContact O-N 3.02Å; Q1210-F1212 HydrophobicContact CB-CE2 3.72Å; Q1210-F1212 HydrophobicContact CB-CZ 4.1Å
1211Q79.6Confident69.5Low66 Ų6645.8 Ų45.831%0.30824%0.242SC..EExtended strand (participates in β ladder)trans-96.6128.6-177.1-173.9176.2-11.500111.6S1197 V1198 Y1199 F1230S1197-Q1211 PolarHBondContact OG-NE2 3.2Å; V1198-Q1211 WeakPolarHBondContact O-CA 3.31Å; Y1199-Q1211 HydrophobicContact CD1-CB 3.85Å; Y1199-Q1211 HydrophobicContact CD1-CG 4.06Å; Y1199-Q1211 HydrophobicContact CE1-CB 3.64Å; Y1199-Q1211 VanDerWaalsContact CE1-CD 3.48Å; Y1199-Q1211 HydrophobicContact CE1-CG 3.56Å; Y1199-Q1211 PolarHBondContact OH-NE2 3.31Å; Y1199-Q1211 PolarHBondContact OH-OE1 2.87Å; Y1199-Q1211 VanDerWaalsContact OH-OE1 3.13Å; Q1211-F1230 HydrophobicContact CG-CD2 4.01Å
1212F84.2Confident69.6Low8 Ų841.5 Ų41.54%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-120.7159.8176.2-63.3-83.7000110.8R1113 S1197 V1198 L1200 L1202 Q1210 L1227 L1228R1113-F1212 HydrophobicContact CB-CD1 4.13Å; R1113-F1212 HydrophobicContact CB-CE1 3.7Å; R1113-F1212 HydrophobicContact CG-CD1 4.46Å; R1113-F1212 HydrophobicContact CG-CE1 4Å; S1197-F1212 WeakPolarHBondContact CA-O 3.38Å; V1198-F1212 PolarHBondContact N-O 2.91Å; V1198-F1212 PolarHBondContact O-N 2.99Å; L1200-F1212 HydrophobicContact CB-CD2 4.44Å; L1200-F1212 HydrophobicContact CB-CE2 4.39Å; L1200-F1212 HydrophobicContact CD1-CD2 4.17Å; L1200-F1212 HydrophobicContact CG-CD2 4.46Å; L1202-F1212 HydrophobicContact CD1-CE2 3.7Å; L1202-F1212 HydrophobicContact CD1-CZ 3.47Å; L1202-F1212 VanDerWaalsContact CD1-CZ 3.47Å; L1202-F1212 HydrophobicContact CG-CE2 4.44Å; Q1210-F1212 HydrophobicContact CB-CE2 3.72Å; Q1210-F1212 HydrophobicContact CB-CZ 4.1Å; F1212-L1227 HydrophobicContact CB-CB 4.17Å; F1212-L1227 HydrophobicContact CB-CD2 3.78Å; F1212-L1227 HydrophobicContact CD1-CB 4.41Å; F1212-L1227 HydrophobicContact CG-CB 4.3Å; F1212-L1227 HydrophobicContact CG-CD2 4.45Å; F1212-L1228 WeakPolarHBondContact CA-O 3.39Å
1213R82.6Confident70.1Confident16 Ų1640.5 Ų40.56%0.0622%0.221CC..EExtended strand (participates in β ladder)trans-93.7131.2162.3-64.1-65.5-172.61721.4108.5L1195 P1196 L1227 L1228 F1230 V1233 E1234L1195-R1213 HydrophobicContact CB-CB 4.14Å; L1195-R1213 WeakPolarHBondContact O-CD 3.28Å; L1195-R1213 PolarHBondContact O-NH1 3.03Å; P1196-R1213 CarbonylContact O-C 3.22Å; P1196-R1213 WeakPolarHBondContact O-CA 3.29Å; R1213-L1227 WeakPolarHBondContact O-CA 3.38Å; R1213-L1228 HydrophobicContact CB-CB 4.28Å; R1213-L1228 PolarHBondContact N-O 3.16Å; R1213-L1228 PolarHBondContact O-N 3.46Å; R1213-F1230 HydrophobicContact CG-CD2 4.36Å; R1213-V1233 HydrophobicContact CB-CG1 4.46Å; R1213-V1233 HydrophobicContact CB-CG2 4.24Å; R1213-V1233 HydrophobicContact CG-CB 4.24Å; R1213-V1233 HydrophobicContact CG-CG1 4.17Å; R1213-V1233 HydrophobicContact CG-CG2 4.31Å; R1213-E1234 IonicContact NH2-OE1 3.62Å; R1213-E1234 PolarHBondContact NH2-OE1 2.89Å
1214L83.1Confident71.4Confident0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-96.9126173.9173.562.7000110.3F1136 Y1139 L1144 L1195 P1196 V1198 V1216 A1225 M1226 L1227F1136-L1214 HydrophobicContact CE2-CD1 4.12Å; F1136-L1214 HydrophobicContact CE2-CD2 4.11Å; F1136-L1214 HydrophobicContact CZ-CD1 3.71Å; F1136-L1214 HydrophobicContact CZ-CD2 4.39Å; Y1139-L1214 HydrophobicContact CD1-CD2 4.26Å; Y1139-L1214 HydrophobicContact CE1-CD2 3.84Å; L1144-L1214 HydrophobicContact CD1-CD2 3.47Å; L1144-L1214 VanDerWaalsContact CD1-CD2 3.47Å; L1195-L1214 WeakPolarHBondContact CD2-O 3.45Å; P1196-L1214 HydrophobicContact CB-CB 4.39Å; P1196-L1214 VanDerWaalsContact CD-O 3.27Å; P1196-L1214 WeakPolarHBondContact CD-O 3.4Å; P1196-L1214 HydrophobicContact CG-CB 4.05Å; P1196-L1214 HydrophobicContact CG-CG 4.39Å; P1196-L1214 WeakPolarHBondContact CG-O 3.32Å; P1196-L1214 PolarHBondContact O-N 3.37Å; V1198-L1214 HydrophobicContact CG2-CB 3.6Å; V1198-L1214 HydrophobicContact CG2-CD2 3.96Å; V1198-L1214 HydrophobicContact CG2-CG 4.4Å; L1214-V1216 HydrophobicContact CD1-CG2 3.93Å; L1214-V1216 HydrophobicContact CD2-CG2 4.21Å; L1214-V1216 HydrophobicContact CG-CG2 3.99Å; L1214-A1225 HydrophobicContact CD1-CB 4.03Å; L1214-M1226 WeakPolarHBondContact CA-O 3.1Å; L1214-M1226 WeakPolarHBondContact CD1-O 3.25Å; L1214-L1227 HydrophobicContact CB-CD2 4.28Å; L1214-L1227 HydrophobicContact CD1-CD2 4.28Å; L1214-L1227 HydrophobicContact CD1-CG 4.5Å
1215L81.8Confident73.1Confident1 Ų134.9 Ų34.91%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-111.5141.1163.2178.471.6000108.3F1176 F1178 L1195 A1225 M1226 L1228 F1241 F1242F1176-L1215 HydrophobicContact CB-CD1 4.37Å; F1176-L1215 HydrophobicContact CD1-CD1 3.8Å; F1176-L1215 HydrophobicContact CD1-CD2 3.97Å; F1176-L1215 HydrophobicContact CD1-CG 3.99Å; F1176-L1215 HydrophobicContact CE1-CD2 3.97Å; F1176-L1215 HydrophobicContact CE1-CG 4.45Å; F1176-L1215 HydrophobicContact CG-CD1 4.47Å; F1178-L1215 HydrophobicContact CE1-CD1 4.16Å; F1178-L1215 HydrophobicContact CZ-CD1 4.48Å; L1195-L1215 HydrophobicContact CD2-CB 4.06Å; L1195-L1215 HydrophobicContact CD2-CD1 3.63Å; L1195-L1215 HydrophobicContact CD2-CG 4.49Å; L1215-A1225 CarbonylContact O-C 3.39Å; L1215-A1225 WeakPolarHBondContact O-CA 3.28Å; L1215-M1226 HydrophobicContact CD2-SD 4.23Å; L1215-M1226 PolarHBondContact N-O 2.91Å; L1215-M1226 PolarHBondContact O-N 2.81Å; L1215-L1228 HydrophobicContact CB-CD1 4.05Å; L1215-L1228 HydrophobicContact CB-CG 4.5Å; L1215-F1241 HydrophobicContact CD2-CD1 4.41Å; L1215-F1241 HydrophobicContact CD2-CE1 3.51Å; L1215-F1241 HydrophobicContact CD2-CZ 4.18Å; L1215-F1242 HydrophobicContact CD1-CE1 3.63Å; L1215-F1242 HydrophobicContact CD1-CZ 3.94Å; L1215-F1242 HydrophobicContact CD2-CE1 3.91Å; L1215-F1242 HydrophobicContact CG-CE1 4.42Å
1216V79.5Confident75Confident5 Ų532.1 Ų32.13%0.0318%0.178CC..EExtended strand (participates in β ladder)trans-126122171.8-178.80000109.9L1144 F1176 Y1177 L1214 T1223 W1224 A1225L1144-V1216 HydrophobicContact CD1-CG2 3.87Å; F1176-V1216 CarbonylContact C-O 3.34Å; F1176-V1216 VanDerWaalsContact CA-O 3.28Å; F1176-V1216 WeakPolarHBondContact CA-O 3.47Å; Y1177-V1216 PolarHBondContact N-O 3.45Å; L1214-V1216 HydrophobicContact CD1-CG2 3.93Å; L1214-V1216 HydrophobicContact CD2-CG2 4.21Å; L1214-V1216 HydrophobicContact CG-CG2 3.99Å; V1216-T1223 HydrophobicContact CG1-CG2 3.42Å; V1216-T1223 VanDerWaalsContact CG1-CG2 3.42Å; V1216-W1224 WeakPolarHBondContact CA-O 3.22Å; V1216-A1225 HydrophobicContact CG2-CB 4Å
1217Y81.6Confident76.6Confident0 Ų030.2 Ų30.20%017%0.166CC..EExtended strand (participates in β ladder)trans-95.4139.3167.7178.6-104.7000109.8F1176 N1219 T1223 W1224 F1245 E1246 N1250 I1253F1176-Y1217 AromaticContact CD1-CD2 3.94Å; F1176-Y1217 HydrophobicContact CD1-CD2 3.94Å; F1176-Y1217 HydrophobicContact CD1-CG 4.47Å; F1176-Y1217 HydrophobicContact CD2-CD2 4.12Å; F1176-Y1217 AromaticContact CE1-CD2 3.52Å; F1176-Y1217 HydrophobicContact CE1-CD2 3.52Å; F1176-Y1217 HydrophobicContact CE1-CG 4.05Å; F1176-Y1217 AromaticContact CE2-CD2 3.69Å; F1176-Y1217 HydrophobicContact CE2-CD2 3.69Å; F1176-Y1217 AromaticContact CE2-CE2 4Å; F1176-Y1217 HydrophobicContact CE2-CE2 4Å; F1176-Y1217 HydrophobicContact CG-CD2 4.25Å; F1176-Y1217 AromaticContact CZ-CD2 3.38Å; F1176-Y1217 HydrophobicContact CZ-CD2 3.38Å; F1176-Y1217 AromaticContact CZ-CE2 3.96Å; F1176-Y1217 HydrophobicContact CZ-CE2 3.96Å; F1176-Y1217 HydrophobicContact CZ-CG 4.27Å; Y1217-N1219 HydrophobicContact CE1-CB 4.04Å; Y1217-T1223 CarbonylContact O-C 3.53Å; Y1217-T1223 WeakPolarHBondContact O-CA 3.44Å; Y1217-W1224 PolarHBondContact N-O 2.67Å; Y1217-W1224 PolarHBondContact O-N 2.9Å; Y1217-F1245 HydrophobicContact CD1-CE1 4.07Å; Y1217-F1245 HydrophobicContact CD2-CD1 4.46Å; Y1217-F1245 HydrophobicContact CD2-CE1 4.25Å; Y1217-F1245 HydrophobicContact CE1-CE1 4.22Å; Y1217-F1245 HydrophobicContact CE2-CD1 4.46Å; Y1217-F1245 HydrophobicContact CE2-CE1 4.36Å; Y1217-F1245 HydrophobicContact CG-CE1 4.08Å; Y1217-E1246 HydrophobicContact CE2-CG 4.35Å; Y1217-E1246 WeakPolarHBondContact CE2-OE1 3.46Å; Y1217-E1246 PolarHBondContact OH-OE1 2.96Å; Y1217-N1250 PolarHBondContact OH-OD1 2.84Å; Y1217-I1253 HydrophobicContact CD1-CD1 4.46Å; Y1217-I1253 HydrophobicContact CE1-CD1 3.91Å
1218R71.9Confident78.2Confident18 Ų1823.2 Ų23.27%0.06813%0.129CC..EExtended strand (participates in β ladder)trans-133.6129.4175-159.8-172.1-154.5-177.79.5110.6M1147 E1152 G1174 R1175 Y1177 I1222M1147-R1218 VanDerWaalsContact O-CZ 3.31Å; M1147-R1218 PolarHBondContact O-NH1 3.29Å; M1147-R1218 PolarHBondContact O-NH2 2.81Å; E1152-R1218 IonicContact OE1-CZ 2.91Å; E1152-R1218 IonicContact OE1-NH1 2.86Å; E1152-R1218 PolarHBondContact OE1-NH1 3.29Å; E1152-R1218 IonicContact OE2-CZ 2.73Å; E1152-R1218 IonicContact OE2-NE 2.73Å; E1152-R1218 IonicContact OE2-NH1 3.98Å; E1152-R1218 PolarHBondContact OE2-NH1 3.26Å; G1174-R1218 CarbonylContact C-O 3.48Å; G1174-R1218 WeakPolarHBondContact CA-O 3.39Å; R1175-R1218 PolarHBondContact N-O 2.82Å; R1175-R1218 PolarHBondContact O-N 3.28Å; Y1177-R1218 HydrophobicContact CD2-CB 4.08Å; Y1177-R1218 HydrophobicContact CE2-CB 3.75Å; Y1177-R1218 HydrophobicContact CE2-CG 4.43Å; R1218-I1222 VanDerWaalsContact CA-O 3.29Å; R1218-I1222 WeakPolarHBondContact CA-O 3.1Å; R1218-I1222 WeakPolarHBondContact CG-O 3.48Å
1219N70.1Confident79.2Confident21 Ų2121.1 Ų21.111%0.11211%0.112CC..EExtended strand (participates in β ladder)trans-127.6174.8164.6-159-15.5000108R1172 Y1217 G1221 I1222 N1250R1172-N1219 PolarHBondContact O-ND2 2.82Å; Y1217-N1219 HydrophobicContact CE1-CB 4.04Å; N1219-G1221 PolarHBondContact O-N 2.83Å; N1219-I1222 HydrophobicContact CB-CG2 3.77Å; N1219-I1222 PolarHBondContact N-O 3.04Å; N1219-I1222 PolarHBondContact O-N 2.81Å; N1219-N1250 PolarHBondContact ND2-OD1 3.18Å
1220V67.3Low79.2Confident87 Ų8720.5 Ų20.553%0.52711%0.106SC..THydrogen-bonded Turntrans-53.8106.9-173.1-178.60000110.9M1257V1220-M1257 WeakPolarHBondContact O-CE 3.19Å
1221G66.9Low78.9Confident16 Ų1626.1 Ų26.117%0.16512%0.123CC..THydrogen-bonded Turntrans85.6-7.4-178.500000116.6F1119 N1120 N1219 M1257F1119-G1221 CarbonylContact C-O 3.44Å; F1119-G1221 VanDerWaalsContact CA-O 3.31Å; F1119-G1221 WeakPolarHBondContact CA-O 3.41Å; N1120-G1221 PolarHBondContact N-O 3.37Å; N1219-G1221 PolarHBondContact O-N 2.83Å; G1221-M1257 VanDerWaalsContact C-CE 3.42Å
1222I74.8Confident78.2Confident4 Ų426.8 Ų26.82%0.02113%0.127CC..EExtended strand (participates in β ladder)trans-120.8138.9-178.9-167.4172000112.8I1117 L1118 R1218 N1219 I1253 M1257I1117-I1222 HydrophobicContact CG2-CD1 3.87Å; I1117-I1222 HydrophobicContact CG2-CG1 3.89Å; L1118-I1222 CarbonylContact O-C 3.26Å; L1118-I1222 WeakPolarHBondContact O-CA 3.09Å; L1118-I1222 WeakPolarHBondContact O-CG1 3.33Å; R1218-I1222 VanDerWaalsContact CA-O 3.29Å; R1218-I1222 WeakPolarHBondContact CA-O 3.1Å; R1218-I1222 WeakPolarHBondContact CG-O 3.48Å; N1219-I1222 HydrophobicContact CB-CG2 3.77Å; N1219-I1222 PolarHBondContact N-O 3.04Å; N1219-I1222 PolarHBondContact O-N 2.81Å; I1222-I1253 HydrophobicContact CD1-CG2 3.94Å; I1222-I1253 HydrophobicContact CG2-CG2 4.02Å; I1222-M1257 HydrophobicContact CB-CE 3.7Å; I1222-M1257 HydrophobicContact CB-SD 3.68Å; I1222-M1257 HydrophobicContact CD1-SD 4.09Å; I1222-M1257 HydrophobicContact CG1-SD 4.27Å; I1222-M1257 HydrophobicContact CG2-CE 4.12Å; I1222-M1257 HydrophobicContact CG2-SD 4.26Å
1223T79.8Confident77.2Confident9 Ų926.9 Ų26.96%0.05513%0.128CC..EExtended strand (participates in β ladder)trans-130.3115.8170.4-54.20000110.1I1117 L1118 L1145 V1216 Y1217I1117-T1223 CarbonylContact C-O 3.5Å; I1117-T1223 WeakPolarHBondContact CA-O 3.49Å; L1118-T1223 PolarHBondContact N-O 2.93Å; L1118-T1223 PolarHBondContact O-N 3.32Å; L1145-T1223 HydrophobicContact CD2-CG2 3.94Å; V1216-T1223 HydrophobicContact CG1-CG2 3.42Å; V1216-T1223 VanDerWaalsContact CG1-CG2 3.42Å; Y1217-T1223 CarbonylContact O-C 3.53Å; Y1217-T1223 WeakPolarHBondContact O-CA 3.44Å
1224W88.2Confident76.1Confident2 Ų232.4 Ų32.41%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-109.7102.8178.5-163.9-14.1000110L1101 V1102 V1105 S1115 M1116 I1117 V1216 Y1217 M1226 F1245 I1253L1101-W1224 HydrophobicContact CD1-CH2 4.14Å; L1101-W1224 HydrophobicContact CD1-CZ3 4.07Å; L1101-W1224 HydrophobicContact CD2-CH2 4.47Å; L1101-W1224 HydrophobicContact CD2-CZ3 4.12Å; L1101-W1224 HydrophobicContact CG-CH2 3.86Å; L1101-W1224 HydrophobicContact CG-CZ3 3.93Å; V1102-W1224 HydrophobicContact CG2-CZ2 4.13Å; V1105-W1224 HydrophobicContact CB-CH2 3.9Å; V1105-W1224 HydrophobicContact CB-CZ2 4.09Å; V1105-W1224 HydrophobicContact CG1-CH2 4.12Å; V1105-W1224 HydrophobicContact CG1-CZ2 3.95Å; V1105-W1224 HydrophobicContact CG2-CH2 3.54Å; V1105-W1224 HydrophobicContact CG2-CZ2 4.21Å; V1105-W1224 HydrophobicContact CG2-CZ3 4.19Å; S1115-W1224 PolarHBondContact OG-NE1 3.05Å; M1116-W1224 CarbonylContact O-C 3.57Å; I1117-W1224 HydrophobicContact CD1-CD2 3.88Å; I1117-W1224 HydrophobicContact CD1-CE3 4.31Å; I1117-W1224 HydrophobicContact CD1-CG 4.3Å; I1117-W1224 HydrophobicContact CD1-CH2 4.3Å; I1117-W1224 HydrophobicContact CD1-CZ2 3.87Å; I1117-W1224 HydrophobicContact CG1-CB 4.4Å; I1117-W1224 HydrophobicContact CG1-CD2 3.84Å; I1117-W1224 HydrophobicContact CG1-CG 3.71Å; I1117-W1224 HydrophobicContact CG1-CZ2 4.49Å; V1216-W1224 WeakPolarHBondContact CA-O 3.22Å; Y1217-W1224 PolarHBondContact N-O 2.67Å; Y1217-W1224 PolarHBondContact O-N 2.9Å; W1224-M1226 HydrophobicContact CB-CE 4.32Å; W1224-M1226 HydrophobicContact CD2-CE 3.6Å; W1224-M1226 HydrophobicContact CE3-CE 4.07Å; W1224-M1226 HydrophobicContact CG-CE 3.69Å; W1224-M1226 HydrophobicContact CG-CG 4.37Å; W1224-F1245 AromaticContact CE3-CZ 3.92Å; W1224-F1245 HydrophobicContact CE3-CZ 3.92Å; W1224-F1245 AromaticContact CZ3-CZ 3.95Å; W1224-F1245 HydrophobicContact CZ3-CZ 3.95Å; W1224-I1253 HydrophobicContact CE3-CD1 4.25Å; W1224-I1253 HydrophobicContact CZ3-CD1 4.2Å; W1224-I1253 HydrophobicContact CZ3-CG1 4.45Å
1225A86.4Confident75Confident1 Ų141.1 Ų41.11%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-90115.1174.800000110.2S1115 M1116 F1136 V1140 L1214 L1215 V1216S1115-A1225 CarbonylContact C-O 3.37Å; S1115-A1225 VanDerWaalsContact CA-O 3.32Å; S1115-A1225 WeakPolarHBondContact CA-O 3.5Å; M1116-A1225 HydrophobicContact CB-CB 4.31Å; M1116-A1225 PolarHBondContact N-O 2.92Å; M1116-A1225 PolarHBondContact O-N 2.9Å; F1136-A1225 HydrophobicContact CE1-CB 4.21Å; F1136-A1225 HydrophobicContact CZ-CB 4.12Å; V1140-A1225 HydrophobicContact CG2-CB 4.04Å; L1214-A1225 HydrophobicContact CD1-CB 4.03Å; L1215-A1225 CarbonylContact O-C 3.39Å; L1215-A1225 WeakPolarHBondContact O-CA 3.28Å; V1216-A1225 HydrophobicContact CG2-CB 4Å
1226M88.5Confident74.2Confident0 Ų043 Ų430%021%0.205CC..EExtended strand (participates in β ladder)trans-109127.3-177.9-57.7170.4-169.400110.2V1112 L1214 L1215 W1224 L1228 F1245V1112-M1226 HydrophobicContact CG1-CB 4.42Å; L1214-M1226 WeakPolarHBondContact CA-O 3.1Å; L1214-M1226 WeakPolarHBondContact CD1-O 3.25Å; L1215-M1226 HydrophobicContact CD2-SD 4.23Å; L1215-M1226 PolarHBondContact N-O 2.91Å; L1215-M1226 PolarHBondContact O-N 2.81Å; W1224-M1226 HydrophobicContact CB-CE 4.32Å; W1224-M1226 HydrophobicContact CD2-CE 3.6Å; W1224-M1226 HydrophobicContact CE3-CE 4.07Å; W1224-M1226 HydrophobicContact CG-CE 3.69Å; W1224-M1226 HydrophobicContact CG-CG 4.37Å; M1226-L1228 HydrophobicContact CB-CD2 3.77Å; M1226-F1245 HydrophobicContact CE-CD2 4.39Å; M1226-F1245 HydrophobicContact CE-CE1 4.38Å; M1226-F1245 HydrophobicContact CE-CE2 3.5Å; M1226-F1245 HydrophobicContact CE-CZ 3.5Å
1227L87Confident73.8Confident0 Ų046.7 Ų46.70%022%0.224CC..EExtended strand (participates in β ladder)trans-101.3106.2175.9-72.2160.1000108.8R1113 H1114 L1128 F1136 V1198 L1200 F1212 R1213 L1214R1113-L1227 PolarHBondContact N-O 3.15Å; H1114-L1227 HydrophobicContact CB-CB 4.18Å; H1114-L1227 HydrophobicContact CB-CD1 4.15Å; H1114-L1227 PolarHBondContact N-O 2.8Å; H1114-L1227 PolarHBondContact O-N 2.71Å; L1128-L1227 HydrophobicContact CD1-CD1 3.78Å; L1128-L1227 HydrophobicContact CD2-CD1 3.89Å; L1128-L1227 HydrophobicContact CG-CD1 4.06Å; F1136-L1227 HydrophobicContact CD1-CD1 4.24Å; F1136-L1227 HydrophobicContact CD2-CD1 4.3Å; F1136-L1227 HydrophobicContact CE1-CD1 3.84Å; F1136-L1227 HydrophobicContact CE1-CG 4.35Å; F1136-L1227 HydrophobicContact CE2-CD1 3.93Å; F1136-L1227 HydrophobicContact CE2-CD2 3.76Å; F1136-L1227 HydrophobicContact CE2-CG 4.07Å; F1136-L1227 HydrophobicContact CG-CD1 4.45Å; F1136-L1227 HydrophobicContact CZ-CD1 3.67Å; F1136-L1227 HydrophobicContact CZ-CD2 3.96Å; F1136-L1227 HydrophobicContact CZ-CG 3.77Å; V1198-L1227 HydrophobicContact CB-CD2 3.96Å; V1198-L1227 HydrophobicContact CG1-CD2 4.25Å; V1198-L1227 HydrophobicContact CG2-CD2 4.26Å; L1200-L1227 HydrophobicContact CD1-CD1 3.48Å; L1200-L1227 VanDerWaalsContact CD1-CD1 3.48Å; L1200-L1227 HydrophobicContact CD1-CD2 4.18Å; L1200-L1227 HydrophobicContact CD1-CG 4.46Å; F1212-L1227 HydrophobicContact CB-CB 4.17Å; F1212-L1227 HydrophobicContact CB-CD2 3.78Å; F1212-L1227 HydrophobicContact CD1-CB 4.41Å; F1212-L1227 HydrophobicContact CG-CB 4.3Å; F1212-L1227 HydrophobicContact CG-CD2 4.45Å; R1213-L1227 WeakPolarHBondContact O-CA 3.38Å; L1214-L1227 HydrophobicContact CB-CD2 4.28Å; L1214-L1227 HydrophobicContact CD1-CD2 4.28Å; L1214-L1227 HydrophobicContact CD1-CG 4.5Å
1228L86Confident73.1Confident1 Ų148 Ų481%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-96.3145.8-172.6-42.6-179.7000110.3F1111 V1112 L1195 F1212 R1213 L1215 M1226 F1230 V1233F1111-L1228 HydrophobicContact CD2-CB 4.41Å; F1111-L1228 HydrophobicContact CD2-CD1 4.47Å; F1111-L1228 HydrophobicContact CD2-CD2 4.08Å; F1111-L1228 HydrophobicContact CE2-CD1 4.45Å; F1111-L1228 HydrophobicContact CE2-CD2 4.26Å; F1111-L1228 CarbonylContact O-C 3.54Å; F1111-L1228 VanDerWaalsContact O-CA 3.24Å; F1111-L1228 WeakPolarHBondContact O-CA 3.41Å; V1112-L1228 HydrophobicContact CB-CD2 4.3Å; V1112-L1228 HydrophobicContact CG2-CD2 3.68Å; L1195-L1228 HydrophobicContact CD1-CD1 4.38Å; F1212-L1228 WeakPolarHBondContact CA-O 3.39Å; R1213-L1228 HydrophobicContact CB-CB 4.28Å; R1213-L1228 PolarHBondContact N-O 3.16Å; R1213-L1228 PolarHBondContact O-N 3.46Å; L1215-L1228 HydrophobicContact CB-CD1 4.05Å; L1215-L1228 HydrophobicContact CB-CG 4.5Å; M1226-L1228 HydrophobicContact CB-CD2 3.77Å; L1228-F1230 PolarHBondContact O-N 3.09Å; L1228-V1233 HydrophobicContact CB-CG2 3.31Å; L1228-V1233 HydrophobicContact CD1-CG2 3.64Å; L1228-V1233 HydrophobicContact CG-CG2 4.12Å
1229D79.7Confident72.7Confident24 Ų2451.6 Ų51.613%0.12826%0.257CS..EExtended strand (participates in β ladder)trans-61.5124.1174.6-163.5-55.2000110.3F1111 R1113 R1231 E1232 V1233F1111-D1229 PolarHBondContact O-N 3.41Å; R1113-D1229 HydrophobicContact CG-CB 3.8Å; R1113-D1229 IonicContact CZ-OD2 2.8Å; R1113-D1229 VanDerWaalsContact CZ-OD2 3.22Å; R1113-D1229 IonicContact NE-OD2 2.92Å; R1113-D1229 PolarHBondContact NE-OD2 2.85Å; R1113-D1229 IonicContact NH2-OD2 3.24Å; R1113-D1229 PolarHBondContact NH2-OD2 2.72Å; D1229-R1231 PolarHBondContact O-N 2.73Å; D1229-R1231 WeakPolarHBondContact OD1-CB 3.33Å; D1229-R1231 WeakPolarHBondContact OD1-CG 3.32Å; D1229-R1231 PolarHBondContact OD1-N 3.46Å; D1229-E1232 HydrophobicContact CB-CB 4.33Å; D1229-E1232 HydrophobicContact CB-CG 4.31Å; D1229-E1232 PolarHBondContact O-N 3.15Å; D1229-E1232 VanDerWaalsContact O-N 3.17Å; D1229-V1233 WeakPolarHBondContact O-CG2 3.06Å; D1229-V1233 PolarHBondContact O-N 3.02Å
1230F69.3Low72.9Confident63 Ų6355.3 Ų55.328%0.27627%0.274SS..THydrogen-bonded Turntrans-52.5-31.7-179.6-176.6-81.9000113Q1211 R1213 L1228Q1211-F1230 HydrophobicContact CG-CD2 4.01Å; R1213-F1230 HydrophobicContact CG-CD2 4.36Å; L1228-F1230 PolarHBondContact O-N 3.09Å
1231R68.6Low73.3Confident206 Ų20651.3 Ų51.378%0.77725%0.25SC*.THydrogen-bonded Turntrans-82.5-25.1-174-54177.5-167.7-162.83.3114.1D1229D1229-R1231 PolarHBondContact O-N 2.73Å; D1229-R1231 WeakPolarHBondContact OD1-CB 3.33Å; D1229-R1231 WeakPolarHBondContact OD1-CG 3.32Å; D1229-R1231 PolarHBondContact OD1-N 3.46Å
1232E65.1Low73.7Confident81 Ų8152.3 Ų52.338%0.37925%0.249SC..THydrogen-bonded Turntrans-98.2-27.5-171.2-63.8174.7-157.900110.9F1111 R1113 D1229 E1234 Q1235F1111-E1232 VanDerWaalsContact CA-OE2 3.28Å; F1111-E1232 WeakPolarHBondContact CA-OE2 3.31Å; F1111-E1232 HydrophobicContact CB-CB 3.63Å; F1111-E1232 VanDerWaalsContact CB-OE2 3.3Å; F1111-E1232 WeakPolarHBondContact CB-OE2 3.46Å; R1113-E1232 IonicContact CZ-OE1 3.73Å; R1113-E1232 IonicContact NH1-OE1 2.87Å; R1113-E1232 IonicContact NH2-OE1 3.9Å; R1113-E1232 PolarHBondContact NH2-OE1 3.17Å; R1113-E1232 IonicContact NH2-OE2 2.69Å; D1229-E1232 HydrophobicContact CB-CB 4.33Å; D1229-E1232 HydrophobicContact CB-CG 4.31Å; D1229-E1232 PolarHBondContact O-N 3.15Å; D1229-E1232 VanDerWaalsContact O-N 3.17Å; E1232-E1234 PolarHBondContact O-N 3.23Å; E1232-Q1235 PolarHBondContact O-N 2.89Å
1233V62.3Low73.6Confident10 Ų1054.8 Ų54.86%0.06127%0.27CS..G310 helixtrans-66.1-29.3177.6173.40000114.2L1195 R1213 L1228 D1229 Q1235 L1236L1195-V1233 HydrophobicContact CD1-CG1 3.73Å; R1213-V1233 HydrophobicContact CB-CG1 4.46Å; R1213-V1233 HydrophobicContact CB-CG2 4.24Å; R1213-V1233 HydrophobicContact CG-CB 4.24Å; R1213-V1233 HydrophobicContact CG-CG1 4.17Å; R1213-V1233 HydrophobicContact CG-CG2 4.31Å; L1228-V1233 HydrophobicContact CB-CG2 3.31Å; L1228-V1233 HydrophobicContact CD1-CG2 3.64Å; L1228-V1233 HydrophobicContact CG-CG2 4.12Å; D1229-V1233 WeakPolarHBondContact O-CG2 3.06Å; D1229-V1233 PolarHBondContact O-N 3.02Å; V1233-Q1235 PolarHBondContact O-N 3.02Å; V1233-Q1235 VanDerWaalsContact O-N 3.07Å; V1233-L1236 WeakPolarHBondContact O-CB 3.41Å; V1233-L1236 PolarHBondContact O-N 2.88Å
1234E61.2Low73.6Confident132 Ų13258.1 Ų58.162%0.61729%0.286SS*.G310 helixtrans-71.3-2.8-176.4-61.5-168.715800113.6R1213 E1232R1213-E1234 IonicContact NH2-OE1 3.62Å; R1213-E1234 PolarHBondContact NH2-OE1 2.89Å; E1232-E1234 PolarHBondContact O-N 3.23Å
1235Q58.6Low73.4Confident183 Ų18358 Ų5886%0.85529%0.285SS*.G310 helixtrans-112-2170.2-59.6-176.415.800113.2E1232 V1233 N1237E1232-Q1235 PolarHBondContact O-N 2.89Å; V1233-Q1235 PolarHBondContact O-N 3.02Å; V1233-Q1235 VanDerWaalsContact O-N 3.07Å; Q1235-N1237 PolarHBondContact O-N 2.92Å
1236L65Low73Confident41 Ų4159.6 Ų59.622%0.21529%0.292CS..  trans-78.1118.5-176.3-169.669.5000110.7F1111 V1233 Q1238 F1241F1111-L1236 HydrophobicContact CE1-CD1 3.76Å; F1111-L1236 HydrophobicContact CE2-CD1 4.31Å; F1111-L1236 HydrophobicContact CE2-CD2 3.72Å; F1111-L1236 HydrophobicContact CZ-CD1 3.54Å; F1111-L1236 HydrophobicContact CZ-CD2 3.76Å; F1111-L1236 HydrophobicContact CZ-CG 4.31Å; V1233-L1236 WeakPolarHBondContact O-CB 3.41Å; V1233-L1236 PolarHBondContact O-N 2.88Å; L1236-Q1238 VanDerWaalsContact C-N 3.3Å; L1236-Q1238 PolarHBondContact O-N 3.49Å; L1236-F1241 HydrophobicContact CD1-CB 4.02Å; L1236-F1241 HydrophobicContact CD1-CD2 4.23Å; L1236-F1241 HydrophobicContact CD1-CG 4.31Å; L1236-F1241 HydrophobicContact CD2-CB 4.06Å; L1236-F1241 HydrophobicContact CD2-CD1 4.26Å; L1236-F1241 HydrophobicContact CD2-CD2 4.16Å; L1236-F1241 HydrophobicContact CD2-CG 3.87Å; L1236-F1241 HydrophobicContact CG-CB 4Å; L1236-F1241 HydrophobicContact CG-CG 4.32Å
1237N71.7Confident72.4Confident81 Ų8167.4 Ų67.443%0.43333%0.329SS..  trans-68.489.9167.7179.83.6000109Q1235 C1239 Q1240 F1241Q1235-N1237 PolarHBondContact O-N 2.92Å; N1237-C1239 VanDerWaalsContact C-N 3.28Å; N1237-C1239 PolarHBondContact O-N 2.85Å; N1237-Q1240 HydrophobicContact CB-CB 3.99Å; N1237-Q1240 WeakPolarHBondContact ND2-CB 3.23Å; N1237-Q1240 PolarHBondContact ND2-OE1 3.18Å; N1237-Q1240 PolarHBondContact O-N 3.12Å; N1237-F1241 PolarHBondContact O-N 2.71Å
1238Q66.2Low72.2Confident28 Ų2872.9 Ų72.913%0.13135%0.349CS..Hα-helixtrans-51.4-45.2-172.4-64.9-176.12.600112.4L1236 Q1240 F1241 F1242L1236-Q1238 VanDerWaalsContact C-N 3.3Å; L1236-Q1238 PolarHBondContact O-N 3.49Å; Q1238-Q1240 PolarHBondContact O-N 2.85Å; Q1238-F1241 PolarHBondContact O-N 3.37Å; Q1238-F1242 HydrophobicContact CB-CD2 4.49Å; Q1238-F1242 HydrophobicContact CB-CE2 3.75Å; Q1238-F1242 HydrophobicContact CB-CZ 3.95Å; Q1238-F1242 WeakPolarHBondContact O-CD2 3.22Å; Q1238-F1242 WeakPolarHBondContact O-CE2 3.03Å; Q1238-F1242 WeakPolarHBondContact O-CG 3.47Å; Q1238-F1242 PolarHBondContact O-N 2.95Å
1239C64Low72.1Confident93 Ų9372.9 Ų72.963%0.62835%0.349SS*.Hα-helixtrans-62.7-40.2179.9-57.90000112.9N1237 A1243N1237-C1239 VanDerWaalsContact C-N 3.28Å; N1237-C1239 PolarHBondContact O-N 2.85Å; C1239-A1243 PolarHBondContact O-N 3.42Å; C1239-A1243 VanDerWaalsContact O-N 3.16Å
1240Q73.7Confident72.1Confident99 Ų9972.5 Ų72.546%0.46335%0.347SS..Hα-helixtrans-70.6-43176175179.5-6.500111.2N1237 Q1238 F1242 A1243 E1244N1237-Q1240 HydrophobicContact CB-CB 3.99Å; N1237-Q1240 WeakPolarHBondContact ND2-CB 3.23Å; N1237-Q1240 PolarHBondContact ND2-OE1 3.18Å; N1237-Q1240 PolarHBondContact O-N 3.12Å; Q1238-Q1240 PolarHBondContact O-N 2.85Å; Q1240-F1242 VanDerWaalsContact C-N 3.34Å; Q1240-F1242 PolarHBondContact O-N 2.91Å; Q1240-A1243 PolarHBondContact O-N 3.13Å; Q1240-E1244 HydrophobicContact CG-CG 4.29Å; Q1240-E1244 WeakPolarHBondContact CG-OE1 3.31Å; Q1240-E1244 PolarHBondContact NE2-OE1 2.77Å; Q1240-E1244 WeakPolarHBondContact O-CB 3.28Å; Q1240-E1244 WeakPolarHBondContact O-CG 3.26Å; Q1240-E1244 PolarHBondContact O-N 3.17Å
1241F76.1Confident72.6Confident4 Ų473.3 Ų73.32%0.01836%0.359CS..Hα-helixtrans-58.6-43.6175168.6-92000111.8Y1109 F1111 F1176 L1215 L1236 N1237 Q1238 A1243 F1245Y1109-F1241 AromaticContact CD1-CD2 3.81Å; Y1109-F1241 HydrophobicContact CD1-CD2 3.81Å; Y1109-F1241 AromaticContact CD1-CE2 3.65Å; Y1109-F1241 HydrophobicContact CD1-CE2 3.65Å; Y1109-F1241 AromaticContact CD2-CE2 3.74Å; Y1109-F1241 HydrophobicContact CD2-CE2 3.74Å; Y1109-F1241 AromaticContact CE1-CD2 3.58Å; Y1109-F1241 HydrophobicContact CE1-CD2 3.58Å; Y1109-F1241 AromaticContact CE1-CE2 3.69Å; Y1109-F1241 HydrophobicContact CE1-CE2 3.69Å; Y1109-F1241 HydrophobicContact CE2-CD2 4.39Å; Y1109-F1241 AromaticContact CE2-CE2 3.75Å; Y1109-F1241 HydrophobicContact CE2-CE2 3.75Å; Y1109-F1241 HydrophobicContact CG-CD2 4.32Å; Y1109-F1241 AromaticContact CG-CE2 3.68Å; Y1109-F1241 HydrophobicContact CG-CE2 3.68Å; Y1109-F1241 AromaticContact CZ-CD2 3.89Å; Y1109-F1241 AromaticContact CZ-CE2 3.73Å; F1111-F1241 HydrophobicContact CE2-CD2 4.36Å; F1111-F1241 HydrophobicContact CE2-CE2 4.01Å; F1111-F1241 AromaticContact CZ-CD2 3.72Å; F1111-F1241 HydrophobicContact CZ-CD2 3.72Å; F1111-F1241 AromaticContact CZ-CE2 3.67Å; F1111-F1241 HydrophobicContact CZ-CE2 3.67Å; F1176-F1241 HydrophobicContact CE1-CE1 4.49Å; L1215-F1241 HydrophobicContact CD2-CD1 4.41Å; L1215-F1241 HydrophobicContact CD2-CE1 3.51Å; L1215-F1241 HydrophobicContact CD2-CZ 4.18Å; L1236-F1241 HydrophobicContact CD1-CB 4.02Å; L1236-F1241 HydrophobicContact CD1-CD2 4.23Å; L1236-F1241 HydrophobicContact CD1-CG 4.31Å; L1236-F1241 HydrophobicContact CD2-CB 4.06Å; L1236-F1241 HydrophobicContact CD2-CD1 4.26Å; L1236-F1241 HydrophobicContact CD2-CD2 4.16Å; L1236-F1241 HydrophobicContact CD2-CG 3.87Å; L1236-F1241 HydrophobicContact CG-CB 4Å; L1236-F1241 HydrophobicContact CG-CG 4.32Å; N1237-F1241 PolarHBondContact O-N 2.71Å; Q1238-F1241 PolarHBondContact O-N 3.37Å; F1241-A1243 PolarHBondContact O-N 3.22Å; F1241-F1245 HydrophobicContact CZ-CB 4.49Å; F1241-F1245 HydrophobicContact CZ-CD2 4.2Å; F1241-F1245 WeakPolarHBondContact O-CB 3.24Å; F1241-F1245 PolarHBondContact O-N 3.08Å
1242F76.5Confident73Confident36 Ų3666.1 Ų66.116%0.15834%0.335CS..Hα-helixtrans-64.9-39177-58.5-34.4000112.4F1176 F1178 L1215 Q1238 Q1240 E1246F1176-F1242 HydrophobicContact CB-CE1 4.33Å; F1176-F1242 HydrophobicContact CB-CZ 4.49Å; F1176-F1242 AromaticContact CD1-CD1 3.68Å; F1176-F1242 HydrophobicContact CD1-CD1 3.68Å; F1176-F1242 AromaticContact CD1-CE1 3.72Å; F1176-F1242 HydrophobicContact CD1-CE1 3.72Å; F1176-F1242 HydrophobicContact CD2-CB 3.96Å; F1176-F1242 AromaticContact CD2-CD1 3.57Å; F1176-F1242 HydrophobicContact CD2-CD1 3.57Å; F1176-F1242 HydrophobicContact CD2-CD2 4.35Å; F1176-F1242 HydrophobicContact CD2-CE1 4.22Å; F1176-F1242 AromaticContact CD2-CG 3.69Å; F1176-F1242 HydrophobicContact CD2-CG 3.69Å; F1176-F1242 AromaticContact CE1-CD1 3.58Å; F1176-F1242 HydrophobicContact CE1-CD1 3.58Å; F1176-F1242 AromaticContact CE1-CE1 3.97Å; F1176-F1242 HydrophobicContact CE1-CE1 3.97Å; F1176-F1242 HydrophobicContact CE2-CB 3.57Å; F1176-F1242 AromaticContact CE2-CD1 3.5Å; F1176-F1242 HydrophobicContact CE2-CD1 3.5Å; F1176-F1242 HydrophobicContact CE2-CE1 4.46Å; F1176-F1242 AromaticContact CE2-CG 3.7Å; F1176-F1242 HydrophobicContact CE2-CG 3.7Å; F1176-F1242 AromaticContact CG-CD1 3.65Å; F1176-F1242 HydrophobicContact CG-CD1 3.65Å; F1176-F1242 AromaticContact CG-CE1 3.83Å; F1176-F1242 HydrophobicContact CG-CE1 3.83Å; F1176-F1242 HydrophobicContact CG-CG 4.15Å; F1176-F1242 HydrophobicContact CG-CZ 4.43Å; F1176-F1242 HydrophobicContact CZ-CB 4.15Å; F1176-F1242 AromaticContact CZ-CD1 3.49Å; F1176-F1242 HydrophobicContact CZ-CD1 3.49Å; F1176-F1242 VanDerWaalsContact CZ-CD1 3.49Å; F1176-F1242 HydrophobicContact CZ-CE1 4.33Å; F1176-F1242 HydrophobicContact CZ-CG 4.14Å; F1178-F1242 HydrophobicContact CE1-CE2 4.22Å; F1178-F1242 AromaticContact CE1-CZ 3.8Å; F1178-F1242 HydrophobicContact CE1-CZ 3.8Å; F1178-F1242 AromaticContact CZ-CE2 3.66Å; F1178-F1242 HydrophobicContact CZ-CE2 3.66Å; F1178-F1242 AromaticContact CZ-CZ 3.54Å; F1178-F1242 HydrophobicContact CZ-CZ 3.54Å; L1215-F1242 HydrophobicContact CD1-CE1 3.63Å; L1215-F1242 HydrophobicContact CD1-CZ 3.94Å; L1215-F1242 HydrophobicContact CD2-CE1 3.91Å; L1215-F1242 HydrophobicContact CG-CE1 4.42Å; Q1238-F1242 HydrophobicContact CB-CD2 4.49Å; Q1238-F1242 HydrophobicContact CB-CE2 3.75Å; Q1238-F1242 HydrophobicContact CB-CZ 3.95Å; Q1238-F1242 WeakPolarHBondContact O-CD2 3.22Å; Q1238-F1242 WeakPolarHBondContact O-CE2 3.03Å; Q1238-F1242 WeakPolarHBondContact O-CG 3.47Å; Q1238-F1242 PolarHBondContact O-N 2.95Å; Q1240-F1242 VanDerWaalsContact C-N 3.34Å; Q1240-F1242 PolarHBondContact O-N 2.91Å; F1242-E1246 WeakPolarHBondContact O-CG 3.47Å; F1242-E1246 PolarHBondContact O-N 3.3Å
1243A72.5Confident73.8Confident56 Ų5662.3 Ų62.346%0.46332%0.317SS..Hα-helixtrans-65.9-50.2176.200000112.1C1239 Q1240 F1241 F1245 E1246 E1247C1239-A1243 PolarHBondContact O-N 3.42Å; C1239-A1243 VanDerWaalsContact O-N 3.16Å; Q1240-A1243 PolarHBondContact O-N 3.13Å; F1241-A1243 PolarHBondContact O-N 3.22Å; A1243-F1245 VanDerWaalsContact C-N 3.29Å; A1243-F1245 PolarHBondContact O-N 3.03Å; A1243-E1246 PolarHBondContact O-N 3.46Å; A1243-E1247 VanDerWaalsContact O-CB 3.31Å; A1243-E1247 WeakPolarHBondContact O-CB 3.3Å; A1243-E1247 PolarHBondContact O-N 2.85Å
1244E78.9Confident74.5Confident80 Ų8066.1 Ų66.137%0.37434%0.335SS..Hα-helixtrans-62.1-36.3177-70.5173.6-172.900111.9Q1240 R1248Q1240-E1244 HydrophobicContact CG-CG 4.29Å; Q1240-E1244 WeakPolarHBondContact CG-OE1 3.31Å; Q1240-E1244 PolarHBondContact NE2-OE1 2.77Å; Q1240-E1244 WeakPolarHBondContact O-CB 3.28Å; Q1240-E1244 WeakPolarHBondContact O-CG 3.26Å; Q1240-E1244 PolarHBondContact O-N 3.17Å; E1244-R1248 VanDerWaalsContact O-CB 3.28Å; E1244-R1248 WeakPolarHBondContact O-CB 3.24Å; E1244-R1248 PolarHBondContact O-N 2.95Å; E1244-R1248 VanDerWaalsContact O-N 3.08Å
1245F83.9Confident75.3Confident0 Ų062.8 Ų62.80%033%0.326CS..Hα-helixtrans-67.9-48.2177.4-174.3-85.8000112V1105 Y1109 F1176 Y1217 W1224 M1226 F1241 A1243 F1249 I1253V1105-F1245 HydrophobicContact CG1-CE2 4.27Å; V1105-F1245 HydrophobicContact CG2-CE2 3.91Å; Y1109-F1245 AromaticContact CE2-CD2 3.95Å; Y1109-F1245 HydrophobicContact CE2-CD2 3.95Å; F1176-F1245 HydrophobicContact CE1-CD1 4.45Å; F1176-F1245 HydrophobicContact CZ-CB 4.4Å; F1176-F1245 AromaticContact CZ-CD1 3.84Å; F1176-F1245 HydrophobicContact CZ-CD1 3.84Å; F1176-F1245 HydrophobicContact CZ-CG 4.31Å; Y1217-F1245 HydrophobicContact CD1-CE1 4.07Å; Y1217-F1245 HydrophobicContact CD2-CD1 4.46Å; Y1217-F1245 HydrophobicContact CD2-CE1 4.25Å; Y1217-F1245 HydrophobicContact CE1-CE1 4.22Å; Y1217-F1245 HydrophobicContact CE2-CD1 4.46Å; Y1217-F1245 HydrophobicContact CE2-CE1 4.36Å; Y1217-F1245 HydrophobicContact CG-CE1 4.08Å; W1224-F1245 AromaticContact CE3-CZ 3.92Å; W1224-F1245 HydrophobicContact CE3-CZ 3.92Å; W1224-F1245 AromaticContact CZ3-CZ 3.95Å; W1224-F1245 HydrophobicContact CZ3-CZ 3.95Å; M1226-F1245 HydrophobicContact CE-CD2 4.39Å; M1226-F1245 HydrophobicContact CE-CE1 4.38Å; M1226-F1245 HydrophobicContact CE-CE2 3.5Å; M1226-F1245 HydrophobicContact CE-CZ 3.5Å; F1241-F1245 HydrophobicContact CZ-CB 4.49Å; F1241-F1245 HydrophobicContact CZ-CD2 4.2Å; F1241-F1245 WeakPolarHBondContact O-CB 3.24Å; F1241-F1245 PolarHBondContact O-N 3.08Å; A1243-F1245 VanDerWaalsContact C-N 3.29Å; A1243-F1245 PolarHBondContact O-N 3.03Å; F1245-F1249 AromaticContact CD2-CD2 3.83Å; F1245-F1249 HydrophobicContact CD2-CD2 3.83Å; F1245-F1249 HydrophobicContact CD2-CE2 4.5Å; F1245-F1249 HydrophobicContact CE1-CB 4.43Å; F1245-F1249 HydrophobicContact CE2-CB 4.34Å; F1245-F1249 HydrophobicContact CE2-CD2 4.05Å; F1245-F1249 HydrophobicContact CE2-CG 4.34Å; F1245-F1249 HydrophobicContact CG-CD2 4.31Å; F1245-F1249 HydrophobicContact CZ-CB 4.22Å; F1245-F1249 WeakPolarHBondContact O-CB 3.42Å; F1245-F1249 PolarHBondContact O-N 3.18Å; F1245-I1253 HydrophobicContact CE1-CD1 4.09Å; F1245-I1253 HydrophobicContact CZ-CD1 4.23Å
1246E77.5Confident76Confident34 Ų3454.2 Ų54.216%0.15929%0.286CS..Hα-helixtrans-63.1-45.6176.3-74.3-123.2114.800111.7R1173 G1174 F1176 Y1217 F1242 A1243 R1248 N1250R1173-E1246 WeakPolarHBondContact CB-OE2 3.43Å; R1173-E1246 WeakPolarHBondContact CD-OE2 3.31Å; R1173-E1246 VanDerWaalsContact CG-OE2 3.25Å; R1173-E1246 WeakPolarHBondContact CG-OE2 3.39Å; G1174-E1246 PolarHBondContact N-OE1 3.39Å; F1176-E1246 HydrophobicContact CE2-CG 4.39Å; Y1217-E1246 HydrophobicContact CE2-CG 4.35Å; Y1217-E1246 WeakPolarHBondContact CE2-OE1 3.46Å; Y1217-E1246 PolarHBondContact OH-OE1 2.96Å; F1242-E1246 WeakPolarHBondContact O-CG 3.47Å; F1242-E1246 PolarHBondContact O-N 3.3Å; A1243-E1246 PolarHBondContact O-N 3.46Å; E1246-R1248 PolarHBondContact O-N 3.33Å; E1246-N1250 WeakPolarHBondContact O-CB 3.43Å; E1246-N1250 PolarHBondContact O-N 2.99Å
1247E76.8Confident76.5Confident164 Ų16453.1 Ų53.177%0.76628%0.28SS*.Hα-helixtrans-61.8-41.9-178.3-175.9173-17400112.3A1243A1243-E1247 VanDerWaalsContact O-CB 3.31Å; A1243-E1247 WeakPolarHBondContact O-CB 3.3Å; A1243-E1247 PolarHBondContact O-N 2.85Å
1248R82Confident76.6Confident115 Ų11552.6 Ų52.643%0.43428%0.283SS..Hα-helixtrans-87.8-40.8-175.5-174.1168.9174-163.8-6.6114.1E1104 S1108 E1244 E1246E1104-R1248 VanDerWaalsContact CG-NH2 3.33Å; E1104-R1248 IonicContact OE1-CZ 3.23Å; E1104-R1248 VanDerWaalsContact OE1-CZ 3.23Å; E1104-R1248 IonicContact OE1-NE 2.67Å; E1104-R1248 PolarHBondContact OE1-NE 3.42Å; E1104-R1248 IonicContact OE1-NH2 2.9Å; E1104-R1248 PolarHBondContact OE1-NH2 2.78Å; S1108-R1248 PolarHBondContact OG-NH1 3.41Å; S1108-R1248 PolarHBondContact OG-NH2 3.4Å; E1244-R1248 VanDerWaalsContact O-CB 3.28Å; E1244-R1248 WeakPolarHBondContact O-CB 3.24Å; E1244-R1248 PolarHBondContact O-N 2.95Å; E1244-R1248 VanDerWaalsContact O-N 3.08Å; E1246-R1248 PolarHBondContact O-N 3.33Å
1249F84.5Confident77Confident0 Ų052.5 Ų52.50%028%0.284CS..Hα-helixtrans-106.5-23-166.9-61.5-74000114.6L1101 E1104 V1105 Y1109 F1245 I1252 I1253L1101-F1249 HydrophobicContact CD1-CB 4.24Å; L1101-F1249 HydrophobicContact CD1-CD1 3.67Å; L1101-F1249 HydrophobicContact CD1-CG 4.36Å; E1104-F1249 HydrophobicContact CB-CE1 4.01Å; E1104-F1249 HydrophobicContact CG-CE1 3.77Å; E1104-F1249 HydrophobicContact CG-CZ 4.19Å; V1105-F1249 HydrophobicContact CG2-CD1 3.56Å; V1105-F1249 HydrophobicContact CG2-CD2 4Å; V1105-F1249 HydrophobicContact CG2-CE1 3.53Å; V1105-F1249 HydrophobicContact CG2-CE2 4Å; V1105-F1249 HydrophobicContact CG2-CG 3.79Å; V1105-F1249 HydrophobicContact CG2-CZ 3.75Å; Y1109-F1249 HydrophobicContact CD2-CE2 4.48Å; Y1109-F1249 HydrophobicContact CE2-CD2 4.29Å; Y1109-F1249 AromaticContact CE2-CE2 3.62Å; Y1109-F1249 HydrophobicContact CE2-CE2 3.62Å; Y1109-F1249 HydrophobicContact CE2-CZ 4.46Å; F1245-F1249 AromaticContact CD2-CD2 3.83Å; F1245-F1249 HydrophobicContact CD2-CD2 3.83Å; F1245-F1249 HydrophobicContact CD2-CE2 4.5Å; F1245-F1249 HydrophobicContact CE1-CB 4.43Å; F1245-F1249 HydrophobicContact CE2-CB 4.34Å; F1245-F1249 HydrophobicContact CE2-CD2 4.05Å; F1245-F1249 HydrophobicContact CE2-CG 4.34Å; F1245-F1249 HydrophobicContact CG-CD2 4.31Å; F1245-F1249 HydrophobicContact CZ-CB 4.22Å; F1245-F1249 WeakPolarHBondContact O-CB 3.42Å; F1245-F1249 PolarHBondContact O-N 3.18Å; F1249-I1252 HydrophobicContact CD1-CD1 4.34Å; F1249-I1252 PolarHBondContact O-N 2.97Å; F1249-I1252 VanDerWaalsContact O-N 3.11Å; F1249-I1253 HydrophobicContact CB-CD1 4.36Å; F1249-I1253 WeakPolarHBondContact O-CG1 3.22Å; F1249-I1253 PolarHBondContact O-N 3.39Å
1250N79.9Confident77.3Confident17 Ų1748.1 Ų48.19%0.09126%0.255CS..Hα-helixtrans-58.5-40.2179.3-171.565.8000113.8Y1217 N1219 E1246 I1252 I1253 E1254Y1217-N1250 PolarHBondContact OH-OD1 2.84Å; N1219-N1250 PolarHBondContact ND2-OD1 3.18Å; E1246-N1250 WeakPolarHBondContact O-CB 3.43Å; E1246-N1250 PolarHBondContact O-N 2.99Å; N1250-I1252 VanDerWaalsContact C-N 3.28Å; N1250-I1252 PolarHBondContact O-N 2.88Å; N1250-I1253 PolarHBondContact O-N 3.28Å; N1250-E1254 VanDerWaalsContact ND2-CD 3.29Å; N1250-E1254 PolarHBondContact ND2-OE1 3.43Å; N1250-E1254 WeakPolarHBondContact O-CG 3.32Å; N1250-E1254 PolarHBondContact O-N 2.82Å
1251P79.4Confident77.2Confident79 Ų7946 Ų4651%0.51325%0.251SS..Hα-helixtrans-63.4-31.7176.3-23.134.8000113.8S1255P1251-S1255 WeakPolarHBondContact O-CB 3.24Å; P1251-S1255 PolarHBondContact O-N 2.78Å; P1251-S1255 VanDerWaalsContact O-N 3.15Å
1252I78.1Confident76.9Confident55 Ų5549.4 Ų49.428%0.28227%0.269SS..Hα-helixtrans-75.5-41.8177.2-51.3176.5000109.6L1101 F1249 N1250 S1255 V1256L1101-I1252 HydrophobicContact CB-CG2 4.12Å; L1101-I1252 HydrophobicContact CD1-CB 4.14Å; L1101-I1252 HydrophobicContact CD1-CG2 3.98Å; L1101-I1252 HydrophobicContact CD2-CG2 4.26Å; L1101-I1252 HydrophobicContact CG-CG2 4.34Å; F1249-I1252 HydrophobicContact CD1-CD1 4.34Å; F1249-I1252 PolarHBondContact O-N 2.97Å; F1249-I1252 VanDerWaalsContact O-N 3.11Å; N1250-I1252 VanDerWaalsContact C-N 3.28Å; N1250-I1252 PolarHBondContact O-N 2.88Å; I1252-S1255 PolarHBondContact O-N 2.9Å; I1252-V1256 WeakPolarHBondContact O-CG2 2.96Å; I1252-V1256 PolarHBondContact O-N 2.82Å
1253I80.2Confident76.3Confident1 Ų149.6 Ų49.61%0.00527%0.27CS..Hα-helixtrans-57.4-53172.3-68.8165000109.8L1101 Y1217 I1222 W1224 F1245 F1249 N1250 S1255 V1256 M1257L1101-I1253 HydrophobicContact CD1-CG1 4.46Å; L1101-I1253 HydrophobicContact CD2-CG1 3.82Å; Y1217-I1253 HydrophobicContact CD1-CD1 4.46Å; Y1217-I1253 HydrophobicContact CE1-CD1 3.91Å; I1222-I1253 HydrophobicContact CD1-CG2 3.94Å; I1222-I1253 HydrophobicContact CG2-CG2 4.02Å; W1224-I1253 HydrophobicContact CE3-CD1 4.25Å; W1224-I1253 HydrophobicContact CZ3-CD1 4.2Å; W1224-I1253 HydrophobicContact CZ3-CG1 4.45Å; F1245-I1253 HydrophobicContact CE1-CD1 4.09Å; F1245-I1253 HydrophobicContact CZ-CD1 4.23Å; F1249-I1253 HydrophobicContact CB-CD1 4.36Å; F1249-I1253 WeakPolarHBondContact O-CG1 3.22Å; F1249-I1253 PolarHBondContact O-N 3.39Å; N1250-I1253 PolarHBondContact O-N 3.28Å; I1253-S1255 VanDerWaalsContact C-N 3.28Å; I1253-S1255 PolarHBondContact O-N 2.86Å; I1253-V1256 PolarHBondContact O-N 3.08Å; I1253-V1256 VanDerWaalsContact O-N 3.14Å; I1253-M1257 HydrophobicContact CG2-CG 3.98Å; I1253-M1257 VanDerWaalsContact O-CB 3.31Å; I1253-M1257 WeakPolarHBondContact O-CB 3.37Å; I1253-M1257 WeakPolarHBondContact O-CG 3.36Å; I1253-M1257 PolarHBondContact O-N 2.77Å
1254E78Confident75.6Confident90 Ų9049.4 Ų49.442%0.42126%0.26SS..Hα-helixtrans-57.6-37.8178.5-74.2178.6179.900112.9N1250 M1257 S1258N1250-E1254 VanDerWaalsContact ND2-CD 3.29Å; N1250-E1254 PolarHBondContact ND2-OE1 3.43Å; N1250-E1254 WeakPolarHBondContact O-CG 3.32Å; N1250-E1254 PolarHBondContact O-N 2.82Å; E1254-M1257 PolarHBondContact O-N 3.29Å; E1254-S1258 VanDerWaalsContact O-CB 3.29Å; E1254-S1258 WeakPolarHBondContact O-CB 3.46Å; E1254-S1258 PolarHBondContact O-N 2.8Å
1255S76.9Confident74.5Confident62 Ų6252.5 Ų52.543%0.43427%0.274SS..Hα-helixtrans-65.9-44.5174.7-174.70000113.1P1251 I1252 I1253 T1259P1251-S1255 WeakPolarHBondContact O-CB 3.24Å; P1251-S1255 PolarHBondContact O-N 2.78Å; P1251-S1255 VanDerWaalsContact O-N 3.15Å; I1252-S1255 PolarHBondContact O-N 2.9Å; I1253-S1255 VanDerWaalsContact C-N 3.28Å; I1253-S1255 PolarHBondContact O-N 2.86Å; S1255-T1259 PolarHBondContact O-N 2.76Å; S1255-T1259 PolarHBondContact O-OG1 3.23Å
1256V74.1Confident73.1Confident3 Ų358.9 Ų58.92%0.01830%0.302CS..Hα-helixtrans-65.1-41.1175.2169.70000110.7V1094 E1097 I1252 I1253 T1259 L1260V1094-V1256 HydrophobicContact CG1-CG1 4.35Å; E1097-V1256 HydrophobicContact CB-CG2 3.98Å; I1252-V1256 WeakPolarHBondContact O-CG2 2.96Å; I1252-V1256 PolarHBondContact O-N 2.82Å; I1253-V1256 PolarHBondContact O-N 3.08Å; I1253-V1256 VanDerWaalsContact O-N 3.14Å; V1256-T1259 PolarHBondContact O-N 3.33Å; V1256-L1260 HydrophobicContact CG1-CD1 3.9Å; V1256-L1260 HydrophobicContact CG1-CG 4.45Å; V1256-L1260 WeakPolarHBondContact O-CB 3.46Å; V1256-L1260 WeakPolarHBondContact O-CG 3.29Å; V1256-L1260 PolarHBondContact O-N 2.88Å
1257M74.7Confident71.6Confident18 Ų1860 Ų609%0.08932%0.317CS..Hα-helixtrans-66.7-42.1179-71.1-62.3-76.100113F1119 V1220 G1221 I1222 I1253 E1254 L1260 S1261F1119-M1257 HydrophobicContact CD2-CE 3.53Å; F1119-M1257 HydrophobicContact CD2-SD 3.39Å; F1119-M1257 WeakPolarHBondContact CD2-SD 3.36Å; F1119-M1257 HydrophobicContact CE2-CE 3.48Å; F1119-M1257 VanDerWaalsContact CE2-CE 3.48Å; F1119-M1257 HydrophobicContact CE2-SD 3.61Å; V1220-M1257 WeakPolarHBondContact O-CE 3.19Å; G1221-M1257 VanDerWaalsContact C-CE 3.42Å; I1222-M1257 HydrophobicContact CB-CE 3.7Å; I1222-M1257 HydrophobicContact CB-SD 3.68Å; I1222-M1257 HydrophobicContact CD1-SD 4.09Å; I1222-M1257 HydrophobicContact CG1-SD 4.27Å; I1222-M1257 HydrophobicContact CG2-CE 4.12Å; I1222-M1257 HydrophobicContact CG2-SD 4.26Å; I1253-M1257 HydrophobicContact CG2-CG 3.98Å; I1253-M1257 VanDerWaalsContact O-CB 3.31Å; I1253-M1257 WeakPolarHBondContact O-CB 3.37Å; I1253-M1257 WeakPolarHBondContact O-CG 3.36Å; I1253-M1257 PolarHBondContact O-N 2.77Å; E1254-M1257 PolarHBondContact O-N 3.29Å; M1257-L1260 PolarHBondContact O-N 3.03Å; M1257-L1260 HydrophobicContact SD-CD1 4.41Å; M1257-S1261 WeakPolarHBondContact O-CB 3.27Å; M1257-S1261 PolarHBondContact O-N 2.68Å; M1257-S1261 PolarHBondContact O-OG 2.76Å
1258S74.9Confident69.8Low70 Ų7058.5 Ų58.549%0.4931%0.314SS..Hα-helixtrans-59.3-49.7171.1-174.10000110.1E1254 L1260 S1261 D1262E1254-S1258 VanDerWaalsContact O-CB 3.29Å; E1254-S1258 WeakPolarHBondContact O-CB 3.46Å; E1254-S1258 PolarHBondContact O-N 2.8Å; S1258-L1260 PolarHBondContact O-N 2.8Å; S1258-S1261 PolarHBondContact O-N 3.49Å; S1258-D1262 WeakPolarHBondContact O-CB 3.25Å; S1258-D1262 PolarHBondContact O-N 3.32Å
1259T74Confident67.4Low26 Ų2655.9 Ų55.916%0.1632%0.323CS..Hα-helixtrans-65.9-35.9-178.9-45.80000113V1094 S1255 V1256 D1262 E1263V1094-T1259 HydrophobicContact CG2-CG2 3.37Å; S1255-T1259 PolarHBondContact O-N 2.76Å; S1255-T1259 PolarHBondContact O-OG1 3.23Å; V1256-T1259 PolarHBondContact O-N 3.33Å; T1259-D1262 WeakPolarHBondContact O-CB 3.42Å; T1259-E1263 WeakPolarHBondContact O-CB 3.44Å; T1259-E1263 WeakPolarHBondContact O-CG 3.46Å; T1259-E1263 PolarHBondContact O-N 3.21Å
1260L70.4Confident64.8Low2 Ų262.1 Ų62.11%0.0137%0.366CS..Hα-helixtrans-64.2-44.5172.7-80.4166.1000111.9A1090 V1094 F1119 L1124 V1256 M1257 S1258 E1263 E1264A1090-L1260 HydrophobicContact CB-CD2 4Å; V1094-L1260 HydrophobicContact CG1-CD1 4.46Å; V1094-L1260 HydrophobicContact CG1-CD2 3.67Å; V1094-L1260 HydrophobicContact CG1-CG 3.76Å; F1119-L1260 HydrophobicContact CB-CD1 4.33Å; F1119-L1260 HydrophobicContact CD1-CB 4.32Å; F1119-L1260 HydrophobicContact CD1-CD1 4.16Å; F1119-L1260 HydrophobicContact CD1-CD2 4.42Å; F1119-L1260 HydrophobicContact CD2-CB 4.46Å; F1119-L1260 HydrophobicContact CD2-CD1 3.89Å; F1119-L1260 HydrophobicContact CE1-CB 3.79Å; F1119-L1260 HydrophobicContact CE1-CD1 4.44Å; F1119-L1260 HydrophobicContact CE1-CD2 4.5Å; F1119-L1260 HydrophobicContact CE1-CG 4.48Å; F1119-L1260 HydrophobicContact CE2-CB 3.95Å; F1119-L1260 HydrophobicContact CE2-CD1 4.19Å; F1119-L1260 HydrophobicContact CG-CD1 3.85Å; F1119-L1260 HydrophobicContact CZ-CB 3.58Å; F1119-L1260 HydrophobicContact CZ-CD1 4.46Å; L1124-L1260 HydrophobicContact CD1-CD1 4.11Å; L1124-L1260 HydrophobicContact CD1-CD2 4.09Å; L1124-L1260 HydrophobicContact CD2-CD1 3.98Å; V1256-L1260 HydrophobicContact CG1-CD1 3.9Å; V1256-L1260 HydrophobicContact CG1-CG 4.45Å; V1256-L1260 WeakPolarHBondContact O-CB 3.46Å; V1256-L1260 WeakPolarHBondContact O-CG 3.29Å; V1256-L1260 PolarHBondContact O-N 2.88Å; M1257-L1260 PolarHBondContact O-N 3.03Å; M1257-L1260 HydrophobicContact SD-CD1 4.41Å; S1258-L1260 PolarHBondContact O-N 2.8Å; L1260-E1263 PolarHBondContact O-N 3.24Å; L1260-E1263 VanDerWaalsContact O-N 3.15Å; L1260-E1264 PolarHBondContact O-N 3.22Å
1261S71.4Confident62.4Low55 Ų5565.6 Ų65.639%0.38540%0.397SS..Hα-helixtrans-62.8-44.5176.4-52.60000110.9M1257 S1258 E1263 E1264 E1265M1257-S1261 WeakPolarHBondContact O-CB 3.27Å; M1257-S1261 PolarHBondContact O-N 2.68Å; M1257-S1261 PolarHBondContact O-OG 2.76Å; S1258-S1261 PolarHBondContact O-N 3.49Å; S1261-E1263 PolarHBondContact O-N 2.92Å; S1261-E1264 PolarHBondContact O-N 3.33Å; S1261-E1265 PolarHBondContact O-N 2.87Å
1262D69.6Low59.9Low74 Ų7466.5 Ų66.540%0.39641%0.411SS..Hα-helixtrans-57.1-31.6173.1-11258.3000112.9S1258 T1259 K1266S1258-D1262 WeakPolarHBondContact O-CB 3.25Å; S1258-D1262 PolarHBondContact O-N 3.32Å; T1259-D1262 WeakPolarHBondContact O-CB 3.42Å; D1262-K1266 VanDerWaalsContact CB-NZ 3.31Å; D1262-K1266 WeakPolarHBondContact O-CB 3.34Å; D1262-K1266 WeakPolarHBondContact O-CD 3.48Å; D1262-K1266 WeakPolarHBondContact O-CG 3.49Å; D1262-K1266 PolarHBondContact O-N 3.46Å; D1262-K1266 PolarHBondContact O-NZ 2.68Å; D1262-K1266 IonicContact OD2-NZ 3.36Å; D1262-K1266 PolarHBondContact OD2-NZ 2.96Å
1263E64Low57.4Low41 Ų4168.1 Ų68.119%0.19243%0.427CS..Hα-helixtrans-88.3-33.5179.5-75.9-179.6-176.500112.6S1091 V1094 T1259 L1260 S1261 A1267S1091-E1263 WeakPolarHBondContact CB-OE1 3.47Å; S1091-E1263 VanDerWaalsContact CB-OE2 3.24Å; S1091-E1263 WeakPolarHBondContact CB-OE2 3.34Å; S1091-E1263 PolarHBondContact N-OE2 3.45Å; S1091-E1263 PolarHBondContact OG-OE1 3.13Å; S1091-E1263 PolarHBondContact OG-OE2 2.83Å; V1094-E1263 WeakPolarHBondContact CG2-OE2 3.35Å; T1259-E1263 WeakPolarHBondContact O-CB 3.44Å; T1259-E1263 WeakPolarHBondContact O-CG 3.46Å; T1259-E1263 PolarHBondContact O-N 3.21Å; L1260-E1263 PolarHBondContact O-N 3.24Å; L1260-E1263 VanDerWaalsContact O-N 3.15Å; S1261-E1263 PolarHBondContact O-N 2.92Å; E1263-A1267 VanDerWaalsContact O-CB 3.24Å; E1263-A1267 WeakPolarHBondContact O-CB 3.36Å; E1263-A1267 PolarHBondContact O-N 3.17Å
1264E58.6Low55Low52 Ų5276 Ų7624%0.24347%0.468CS..Hα-helixtrans-62.2-45.1166.6-70.7-160.9130.200110.6F1119 N1120 Q1122 L1260 S1261 A1267 L1268F1119-E1264 HydrophobicContact CE1-CG 4.23Å; F1119-E1264 WeakPolarHBondContact CE1-OE2 3.15Å; N1120-E1264 PolarHBondContact ND2-OE2 2.91Å; Q1122-E1264 PolarHBondContact NE2-OE1 2.76Å; L1260-E1264 PolarHBondContact O-N 3.22Å; S1261-E1264 PolarHBondContact O-N 3.33Å; E1264-A1267 PolarHBondContact O-N 3.22Å; E1264-L1268 WeakPolarHBondContact O-CD1 3.34Å; E1264-L1268 VanDerWaalsContact O-CG 3.31Å; E1264-L1268 WeakPolarHBondContact O-CG 3.16Å; E1264-L1268 PolarHBondContact O-N 2.68Å
1265E56.7Low52.5Low144 Ų14476.6 Ų76.667%0.67348%0.482SS*.Hα-helixtrans-60.7-47.4174.3-76.4-162.316100112.7S1261 A1267 L1268 G1269S1261-E1265 PolarHBondContact O-N 2.87Å; E1265-A1267 VanDerWaalsContact C-N 3.25Å; E1265-A1267 PolarHBondContact O-N 2.82Å; E1265-L1268 PolarHBondContact O-N 3.05Å; E1265-G1269 PolarHBondContact O-N 3.16Å
1266K53.3Low50Low134 Ų13478 Ų7858%0.58350%0.497SS*.Hα-helixtrans-66.5-27.3178.9-74.2174.5-158.372.30112.7D1262 L1268D1262-K1266 VanDerWaalsContact CB-NZ 3.31Å; D1262-K1266 WeakPolarHBondContact O-CB 3.34Å; D1262-K1266 WeakPolarHBondContact O-CD 3.48Å; D1262-K1266 WeakPolarHBondContact O-CG 3.49Å; D1262-K1266 PolarHBondContact O-N 3.46Å; D1262-K1266 PolarHBondContact O-NZ 2.68Å; D1262-K1266 IonicContact OD2-NZ 3.36Å; D1262-K1266 PolarHBondContact OD2-NZ 2.96Å; K1266-L1268 PolarHBondContact O-N 3.19Å
1267A47.4Very low47.7Very low57 Ų5782.6 Ų82.647%0.47153%0.526SS..THydrogen-bonded Turntrans-74.7-9.7173.200000113.9E1263 E1264 E1265E1263-A1267 VanDerWaalsContact O-CB 3.24Å; E1263-A1267 WeakPolarHBondContact O-CB 3.36Å; E1263-A1267 PolarHBondContact O-N 3.17Å; E1264-A1267 PolarHBondContact O-N 3.22Å; E1265-A1267 VanDerWaalsContact C-N 3.25Å; E1265-A1267 PolarHBondContact O-N 2.82Å
1268L37.9Very low45.3Very low134 Ų13485.5 Ų85.570%0.70255%0.547SS*.THydrogen-bonded Turntrans-106.9-8.8-178.2-72165.8000114.3E1264 E1265 K1266E1264-L1268 WeakPolarHBondContact O-CD1 3.34Å; E1264-L1268 VanDerWaalsContact O-CG 3.31Å; E1264-L1268 WeakPolarHBondContact O-CG 3.16Å; E1264-L1268 PolarHBondContact O-N 2.68Å; E1265-L1268 PolarHBondContact O-N 3.05Å; K1266-L1268 PolarHBondContact O-N 3.19Å
1269G31.6Very low43Very low60 Ų6087.7 Ų87.762%0.61955%0.548SS*.  trans-96.5119.9-16400000117.5E1265E1265-G1269 PolarHBondContact O-N 3.16Å
1270S30.6Very low40.7Very low130 Ų13090.9 Ų90.991%0.90956%0.557SS**SBendtrans-157.9-22.1144690000114.6
1271A28.4Very low38.5Very low91 Ų9197.7 Ų97.775%0.75259%0.593SS**SBendtrans-114.3139.6170.400000110.5
1272A27.2Very low36.4Very low98 Ų98101.9 Ų101.981%0.8161%0.605SS**  trans-88.6157.7-171.800000113.7
1273S25.5Very low34.2Very low88 Ų88107.7 Ų107.762%0.61562%0.622SS**  trans70.444.4159.1-168.70000118.4
1274I29.5Very low32.5Very low167 Ų167109.7 Ų109.786%0.85663%0.634SS**  trans-126131155.1-62.8-175.8000111.1
1275S26.6Very low31Very low103 Ų103110.5 Ų110.572%0.7265%0.65SS**  trans-63.5130.7-179168.40000114.1T1277S1275-T1277 PolarHBondContact O-N 3.39Å
1276A24Very low29.6Very low91 Ų91110.3 Ų110.375%0.75265%0.653SS**  trans10.5100.5150.600000118.9
1277T25.9Very low28.4Very low100 Ų100111.4 Ų111.461%0.61366%0.663SS**  trans-141.185.3153.6460000111.3S1275 F1279S1275-T1277 PolarHBondContact O-N 3.39Å; T1277-F1279 HydrophobicContact CG2-CZ 4.31Å; T1277-F1279 VanDerWaalsContact O-CD2 3.3Å; T1277-F1279 WeakPolarHBondContact O-CD2 3.4Å; T1277-F1279 PolarHBondContact O-N 2.89Å; T1277-F1279 WeakPolarHBondContact OG1-CE2 3.38Å
1278C23.7Very low27.5Very low78 Ų78113.9 Ų113.953%0.52768%0.676SS.*  trans-69.9108.7161.9-65.50000108.7Y1280C1278-Y1280 HydrophobicContact CB-CD2 4.02Å; C1278-Y1280 HydrophobicContact CB-CE2 3.62Å; C1278-Y1280 VanDerWaalsContact O-CD2 3.29Å; C1278-Y1280 WeakPolarHBondContact O-CD2 3.44Å; C1278-Y1280 PolarHBondContact O-N 3.07Å
1279F26.4Very low27.1Very low117 Ų117116.9 Ų116.951%0.51369%0.687SS.*  trans-80.579.7-179.9-74.2-81.1000111.7T1277 L1281 D1367T1277-F1279 HydrophobicContact CG2-CZ 4.31Å; T1277-F1279 VanDerWaalsContact O-CD2 3.3Å; T1277-F1279 WeakPolarHBondContact O-CD2 3.4Å; T1277-F1279 PolarHBondContact O-N 2.89Å; T1277-F1279 WeakPolarHBondContact OG1-CE2 3.38Å; F1279-L1281 PolarHBondContact O-N 3.42Å; F1279-D1367 HydrophobicContact CE1-CB 4.02Å
1280Y25.4Very low26.9Very low93 Ų93120.8 Ų120.837%0.36570%0.698SS.*  trans-67.5113.4170.7-66.4-98.4000111.1N1120 Q1122 C1278 F1282N1120-Y1280 WeakPolarHBondContact O-CE1 3.4Å; N1120-Y1280 PolarHBondContact O-OH 3.46Å; Q1122-Y1280 HydrophobicContact CG-CE1 4.19Å; C1278-Y1280 HydrophobicContact CB-CD2 4.02Å; C1278-Y1280 HydrophobicContact CB-CE2 3.62Å; C1278-Y1280 VanDerWaalsContact O-CD2 3.29Å; C1278-Y1280 WeakPolarHBondContact O-CD2 3.44Å; C1278-Y1280 PolarHBondContact O-N 3.07Å; Y1280-F1282 HydrophobicContact CD1-CD2 4.49Å; Y1280-F1282 AromaticContact CD1-CE2 3.68Å; Y1280-F1282 HydrophobicContact CD1-CE2 3.68Å; Y1280-F1282 AromaticContact CD1-CZ 3.89Å; Y1280-F1282 HydrophobicContact CD1-CZ 3.89Å; Y1280-F1282 HydrophobicContact CD2-CE2 4.32Å; Y1280-F1282 HydrophobicContact CG-CD2 4.15Å; Y1280-F1282 AromaticContact CG-CE2 3.56Å; Y1280-F1282 HydrophobicContact CG-CE2 3.56Å; Y1280-F1282 HydrophobicContact CG-CZ 4.26Å; Y1280-F1282 PolarHBondContact O-N 2.88Å
1281L25.6Very low26.7Very low144 Ų144126.5 Ų126.575%0.75470%0.7SS**  trans-79.169.4168-83.8166.6000111.2F1279 Y1283 L1354F1279-L1281 PolarHBondContact O-N 3.42Å; L1281-Y1283 PolarHBondContact O-N 3.48Å; L1281-L1354 HydrophobicContact CD2-CD2 3.73Å
1282F25.9Very low26.6Very low144 Ų144125.7 Ų125.763%0.63270%0.7SS**  trans-65.3128.9174.3-82.1-72.9000111.9D1121 Y1280 D1284D1121-F1282 HydrophobicContact CB-CZ 4.4Å; Y1280-F1282 HydrophobicContact CD1-CD2 4.49Å; Y1280-F1282 AromaticContact CD1-CE2 3.68Å; Y1280-F1282 HydrophobicContact CD1-CE2 3.68Å; Y1280-F1282 AromaticContact CD1-CZ 3.89Å; Y1280-F1282 HydrophobicContact CD1-CZ 3.89Å; Y1280-F1282 HydrophobicContact CD2-CE2 4.32Å; Y1280-F1282 HydrophobicContact CG-CD2 4.15Å; Y1280-F1282 AromaticContact CG-CE2 3.56Å; Y1280-F1282 HydrophobicContact CG-CE2 3.56Å; Y1280-F1282 HydrophobicContact CG-CZ 4.26Å; Y1280-F1282 PolarHBondContact O-N 2.88Å; F1282-D1284 PolarHBondContact O-N 3.2Å
1283Y24.1Very low26.5Very low196 Ų196127.6 Ų127.677%0.76970%0.702SS**  trans-9860.5178.1-150.3-86.2000111.2L1281 A1285 S1349L1281-Y1283 PolarHBondContact O-N 3.48Å; Y1283-A1285 PolarHBondContact O-N 3.41Å; Y1283-S1349 PolarHBondContact OH-OG 2.95Å
1284D28.6Very low26.5Very low82 Ų82132.6 Ų132.644%0.43971%0.713SS.*  trans-74.2124.6-179.2-167.9-7000112F1282 N1286 M1287 R1352F1282-D1284 PolarHBondContact O-N 3.2Å; D1284-N1286 PolarHBondContact OD1-N 2.78Å; D1284-M1287 WeakPolarHBondContact OD2-CB 3.49Å; D1284-R1352 PolarHBondContact O-NH1 2.86Å
1285A26.4Very low26.4Very low70 Ų70129.1 Ų129.158%0.57971%0.709SS**SBendtrans-84-23.717900000113.8Y1283Y1283-A1285 PolarHBondContact O-N 3.41Å
1286N28.1Very low26.4Very low139 Ų139130.5 Ų130.574%0.74371%0.708SS**SBendtrans-15273.8-171.3-73.7-55.8000113.8D1284D1284-N1286 PolarHBondContact OD1-N 2.78Å
1287M28.8Very low26.6Very low157 Ų157134.5 Ų134.577%0.77372%0.715SS**  trans-140.2148.7155.7-88.9-57.8169.100113.4D1284D1284-M1287 WeakPolarHBondContact OD2-CB 3.49Å
1288S27.6Very low26.7Very low109 Ų109133.4 Ų133.476%0.76271%0.712SS**  trans-14269.8-170610000112.3
1289E29.4Very low26.9Very low197 Ų197138 Ų13892%0.92173%0.726SS**  trans-158.7140.8162.8-120.7168.9-148.900111.5
1290V27.3Very low27Very low142 Ų142137.1 Ų137.186%0.86173%0.73SS**  trans-135.6107-178.9179.30000110.1
1291R26.4Very low27Very low251 Ų251138.2 Ų138.295%0.94775%0.746SS**  trans-139.6125.4158.4-73.8-172.7170.6174.3-2.9107.6
1292G26.1Very low27.1Very low73 Ų73137.1 Ų137.175%0.75375%0.748SS**  trans-114.9-176.6-173.400000113.5
1293T25.7Very low27.1Very low138 Ų138135.4 Ų135.485%0.84776%0.76SS**  trans-144.4113.5171.223.90000109.4
1294F24.5Very low27.2Very low194 Ų194129 Ų12985%0.85175%0.754SS**  trans-72.2139.7153.4-85.1-106.4000107.8
1295A27.7Very low27.2Very low94 Ų94132.9 Ų132.978%0.77778%0.775SS**  trans-129.191.4178.800000111.3
1296N27.3Very low27.4Very low131 Ų131136.8 Ų136.870%0.70179%0.786SS**  trans43.481157.3-81.7-25.5000119S1298N1296-S1298 VanDerWaalsContact CB-OG 3.24Å; N1296-S1298 WeakPolarHBondContact CB-OG 3.47Å; N1296-S1298 PolarHBondContact O-N 2.95Å; N1296-S1298 PolarHBondContact OD1-OG 2.87Å; N1296-S1298 VanDerWaalsContact OD1-OG 3.11Å
1297I27.5Very low27.3Very low175 Ų175135.5 Ų135.590%0.89780%0.795SS**SBendtrans-76.271.9150-52.5176000107.8
1298S27.7Very low27.7Very low78 Ų78133.2 Ų133.255%0.54579%0.794SS.*  trans-149.55.5-170.264.10000117.4N1296N1296-S1298 VanDerWaalsContact CB-OG 3.24Å; N1296-S1298 WeakPolarHBondContact CB-OG 3.47Å; N1296-S1298 PolarHBondContact O-N 2.95Å; N1296-S1298 PolarHBondContact OD1-OG 2.87Å; N1296-S1298 VanDerWaalsContact OD1-OG 3.11Å
1299Q28.1Very low28.5Very low174 Ų174130.4 Ų130.481%0.81378%0.777SS**SBendtrans-125.4-6.3-172.8-69.4-169.5-20.300117
1300T28.8Very low29.4Very low98 Ų98122.2 Ų122.260%0.60174%0.741SS**SBendtrans-13427.1-170.348.30000115.5P1302T1300-P1302 WeakPolarHBondContact O-CD 3.3Å
1301V26.3Very low30.8Very low116 Ų116117.8 Ų117.870%0.70372%0.715SS**  trans-108.3108.6172.9179.70000110.6A1303V1301-A1303 PolarHBondContact O-N 3.14Å
1302P27.5Very low32.4Very low122 Ų122108.6 Ų108.679%0.79269%0.693SS**  trans-61.3127.4159.5-1832000109T1300 G1304T1300-P1302 WeakPolarHBondContact O-CD 3.3Å; P1302-G1304 PolarHBondContact O-N 2.87Å
1303A24.7Very low34.2Very low107 Ų107106.6 Ų106.688%0.88467%0.666SS**SBendtrans-61.3129.3-166.500000113.4V1301V1301-A1303 PolarHBondContact O-N 3.14Å
1304G26.2Very low36Very low63 Ų63100.1 Ų100.165%0.64963%0.626SS**  trans156.638.8171.400000119.4P1302P1302-G1304 PolarHBondContact O-N 2.87Å
1305N28.6Very low37.8Very low162 Ų16291.3 Ų91.387%0.86659%0.588SS**SBendtrans-177161.5143.2-95-33.3000112.2
1306N30.7Very low39.5Very low152 Ų15289.3 Ų89.381%0.81357%0.569SS**  trans-64143-167-65.2-28.3000114.4S1308N1306-S1308 PolarHBondContact O-N 3.21Å
1307A25.6Very low41.5Very low113 Ų11383.3 Ų83.393%0.93454%0.537SS*.  trans-68.794.2165.800000109.8
1308S37.9Very low43.2Very low108 Ų10875.3 Ų75.376%0.75550%0.496SS*.PPolyproline II helixtrans-84.9141.1-175.757.20000112.9N1306N1306-S1308 PolarHBondContact O-N 3.21Å
1309A43.8Very low45.1Very low50 Ų5073.7 Ų73.741%0.41348%0.484SS..PPolyproline II helixtrans-56.9171.916500000111.9
1310P49.9Very low46.9Very low25 Ų2569 Ų6916%0.16247%0.465CS..SBendtrans-53.5143.9170.9-1828.9000110.2A1312 V1314 I1366 L1376P1310-A1312 PolarHBondContact O-N 3.36Å; P1310-V1314 HydrophobicContact CB-CB 4.43Å; P1310-V1314 HydrophobicContact CB-CG1 4.43Å; P1310-I1366 HydrophobicContact CB-CD1 4.4Å; P1310-L1376 HydrophobicContact CG-CD2 3.64Å
1311P56.9Low48.8Very low49 Ų4964.6 Ų64.632%0.31844%0.437SS..PPolyproline II helixtrans-52.5141.3177.5-33.542000112.5D1313 V1314 C1315 W1342P1311-D1313 WeakPolarHBondContact CB-OD1 3.43Å; P1311-D1313 PolarHBondContact O-N 2.79Å; P1311-V1314 HydrophobicContact CB-CG2 4.3Å; P1311-V1314 WeakPolarHBondContact O-CA 3.45Å; P1311-V1314 VanDerWaalsContact O-CB 3.29Å; P1311-V1314 WeakPolarHBondContact O-CB 3.4Å; P1311-V1314 PolarHBondContact O-N 3.41Å; P1311-C1315 PolarHBondContact O-N 3.37Å; P1311-C1315 VanDerWaalsContact O-N 3.1Å; P1311-W1342 HydrophobicContact CG-CZ2 3.75Å
1312A59.6Low50.7Low59 Ų5961.7 Ų61.749%0.48842%0.415SS..Hα-helixtrans-60.5-25.3-168.600000113.3P1310 C1315 S1316P1310-A1312 PolarHBondContact O-N 3.36Å; A1312-C1315 WeakPolarHBondContact O-CB 3.46Å; A1312-C1315 PolarHBondContact O-N 3.19Å; A1312-S1316 PolarHBondContact O-N 3.46Å
1313D62.4Low52.4Low31 Ų3162.5 Ų62.517%0.16641%0.409CS..Hα-helixtrans-70.7-36.1172.965.1-50.5000112.6P1311 A1317 A1338 D1339 G1340P1311-D1313 WeakPolarHBondContact CB-OD1 3.43Å; P1311-D1313 PolarHBondContact O-N 2.79Å; D1313-A1317 WeakPolarHBondContact O-CB 3.13Å; D1313-A1317 PolarHBondContact O-N 2.86Å; D1313-A1338 HydrophobicContact CB-CB 3.91Å; D1313-A1338 WeakPolarHBondContact O-CB 3.24Å; D1313-A1338 VanDerWaalsContact OD2-CB 3.3Å; D1313-A1338 WeakPolarHBondContact OD2-CB 3.12Å; D1313-D1339 HydrophobicContact CB-CB 4.22Å; D1313-G1340 WeakPolarHBondContact OD2-CA 3.23Å; D1313-G1340 PolarHBondContact OD2-N 3.13Å
1314V63.8Low54.2Low1 Ų162.1 Ų62.11%0.00639%0.389CS..Hα-helixtrans-65.1-43.5169.8-177.40000110.1P1310 P1311 A1317 L1318 W1342 V1344 A1357P1310-V1314 HydrophobicContact CB-CB 4.43Å; P1310-V1314 HydrophobicContact CB-CG1 4.43Å; P1311-V1314 HydrophobicContact CB-CG2 4.3Å; P1311-V1314 WeakPolarHBondContact O-CA 3.45Å; P1311-V1314 VanDerWaalsContact O-CB 3.29Å; P1311-V1314 WeakPolarHBondContact O-CB 3.4Å; P1311-V1314 PolarHBondContact O-N 3.41Å; V1314-A1317 PolarHBondContact O-N 3.37Å; V1314-L1318 HydrophobicContact CG1-CD1 3.88Å; V1314-L1318 HydrophobicContact CG1-CG 4.43Å; V1314-L1318 WeakPolarHBondContact O-CB 3.49Å; V1314-L1318 WeakPolarHBondContact O-CD1 3.35Å; V1314-L1318 VanDerWaalsContact O-CG 3.24Å; V1314-L1318 WeakPolarHBondContact O-CG 3.35Å; V1314-L1318 PolarHBondContact O-N 3.26Å; V1314-W1342 HydrophobicContact CG2-CB 3.53Å; V1314-W1342 HydrophobicContact CG2-CD2 3.39Å; V1314-W1342 HydrophobicContact CG2-CE3 3.8Å; V1314-W1342 HydrophobicContact CG2-CG 3.28Å; V1314-V1344 HydrophobicContact CG1-CG2 4.18Å; V1314-A1357 HydrophobicContact CG1-CB 3.74Å
1315C63.7Low55.8Low9 Ų959.7 Ų59.76%0.06136%0.36CS..Hα-helixtrans-60-47.3175.4-70.30000111.9P1311 A1312 L1318 C1319 A1380P1311-C1315 PolarHBondContact O-N 3.37Å; P1311-C1315 VanDerWaalsContact O-N 3.1Å; A1312-C1315 WeakPolarHBondContact O-CB 3.46Å; A1312-C1315 PolarHBondContact O-N 3.19Å; C1315-L1318 PolarHBondContact O-N 3.42Å; C1315-C1319 PolarHBondContact O-N 2.73Å; C1315-C1319 PolarHBondContact O-SG 3.35Å; C1315-C1319 VanDerWaalsContact O-SG 3.37Å; C1315-A1380 HydrophobicContact CB-CB 3.71Å; C1315-A1380 VanDerWaalsContact SG-CB 3.56Å
1316S63.6Low57.3Low53 Ų5357.5 Ų57.537%0.37135%0.349SS..Hα-helixtrans-59.4-50.9174.7-163.60000111A1312 L1318 C1319 D1320A1312-S1316 PolarHBondContact O-N 3.46Å; S1316-L1318 VanDerWaalsContact C-N 3.27Å; S1316-L1318 PolarHBondContact O-N 3.33Å; S1316-C1319 CarbonylContact O-C 3.57Å; S1316-C1319 WeakPolarHBondContact O-CA 3.28Å; S1316-C1319 WeakPolarHBondContact O-CB 3.47Å; S1316-C1319 PolarHBondContact O-N 2.82Å; S1316-D1320 VanDerWaalsContact O-CG 3.25Å; S1316-D1320 PolarHBondContact O-N 2.76Å; S1316-D1320 VanDerWaalsContact O-OD2 3.12Å; S1316-D1320 PolarHBondContact OG-OD2 2.87Å
1317A67.4Low58.4Low5 Ų554.1 Ų54.14%0.04134%0.337CS..Hα-helixtrans-60-34.3-18000000113.2D1313 V1314 L1321 A1338 V1344D1313-A1317 WeakPolarHBondContact O-CB 3.13Å; D1313-A1317 PolarHBondContact O-N 2.86Å; V1314-A1317 PolarHBondContact O-N 3.37Å; A1317-L1321 WeakPolarHBondContact O-CB 3.23Å; A1317-L1321 WeakPolarHBondContact O-CD1 3.1Å; A1317-L1321 VanDerWaalsContact O-CG 3.24Å; A1317-L1321 WeakPolarHBondContact O-CG 3.38Å; A1317-L1321 PolarHBondContact O-N 2.93Å; A1317-A1338 HydrophobicContact CB-CB 4.09Å; A1317-V1344 HydrophobicContact CB-CG2 4Å
1318L64.7Low59.5Low6 Ų654.8 Ų54.83%0.03132%0.318CS..Hα-helixtrans-70.4-35.7173.5-72164.6000112.4V1314 C1315 S1316 K1322 V1344 Y1373V1314-L1318 HydrophobicContact CG1-CD1 3.88Å; V1314-L1318 HydrophobicContact CG1-CG 4.43Å; V1314-L1318 WeakPolarHBondContact O-CB 3.49Å; V1314-L1318 WeakPolarHBondContact O-CD1 3.35Å; V1314-L1318 VanDerWaalsContact O-CG 3.24Å; V1314-L1318 WeakPolarHBondContact O-CG 3.35Å; V1314-L1318 PolarHBondContact O-N 3.26Å; C1315-L1318 PolarHBondContact O-N 3.42Å; S1316-L1318 VanDerWaalsContact C-N 3.27Å; S1316-L1318 PolarHBondContact O-N 3.33Å; L1318-K1322 WeakPolarHBondContact O-CB 3.32Å; L1318-K1322 PolarHBondContact O-N 3.03Å; L1318-K1322 VanDerWaalsContact O-N 3.07Å; L1318-V1344 HydrophobicContact CD2-CG1 3.58Å; L1318-V1344 HydrophobicContact CG-CG1 4.23Å; L1318-Y1373 HydrophobicContact CD2-CD2 4.16Å; L1318-Y1373 HydrophobicContact CD2-CE2 3.74Å
1319C66.5Low60.1Low45 Ų4555.6 Ų55.630%0.30432%0.315SS..Hα-helixtrans-69.1-47.9172.7-71.30000111.7C1315 S1316 L1321 K1322 E1323C1315-C1319 PolarHBondContact O-N 2.73Å; C1315-C1319 PolarHBondContact O-SG 3.35Å; C1315-C1319 VanDerWaalsContact O-SG 3.37Å; S1316-C1319 CarbonylContact O-C 3.57Å; S1316-C1319 WeakPolarHBondContact O-CA 3.28Å; S1316-C1319 WeakPolarHBondContact O-CB 3.47Å; S1316-C1319 PolarHBondContact O-N 2.82Å; C1319-L1321 VanDerWaalsContact C-N 3.31Å; C1319-L1321 PolarHBondContact O-N 3.12Å; C1319-K1322 WeakPolarHBondContact O-CA 3.34Å; C1319-K1322 WeakPolarHBondContact O-CB 3.49Å; C1319-K1322 PolarHBondContact O-N 3.37Å; C1319-E1323 PolarHBondContact O-N 2.89Å
1320D67Low60.4Low74 Ų7460.3 Ų60.340%0.39632%0.323SS..Hα-helixtrans-59.5-40.8175.6-63.4-40.3000111.3S1316 K1322 Q1324S1316-D1320 VanDerWaalsContact O-CG 3.25Å; S1316-D1320 PolarHBondContact O-N 2.76Å; S1316-D1320 VanDerWaalsContact O-OD2 3.12Å; S1316-D1320 PolarHBondContact OG-OD2 2.87Å; D1320-K1322 VanDerWaalsContact C-N 3.35Å; D1320-Q1324 VanDerWaalsContact O-CB 3.27Å; D1320-Q1324 WeakPolarHBondContact O-CB 3.37Å; D1320-Q1324 VanDerWaalsContact O-CG 3.23Å; D1320-Q1324 WeakPolarHBondContact O-CG 3.38Å; D1320-Q1324 PolarHBondContact O-N 3.01Å
1321L68.4Low60.4Low6 Ų665.9 Ų65.93%0.03135%0.345CS..Hα-helixtrans-63-39.1172.7-86.9165.6000112.3A1317 C1319 Q1325 V1334 A1336 V1344 V1346A1317-L1321 WeakPolarHBondContact O-CB 3.23Å; A1317-L1321 WeakPolarHBondContact O-CD1 3.1Å; A1317-L1321 VanDerWaalsContact O-CG 3.24Å; A1317-L1321 WeakPolarHBondContact O-CG 3.38Å; A1317-L1321 PolarHBondContact O-N 2.93Å; C1319-L1321 VanDerWaalsContact C-N 3.31Å; C1319-L1321 PolarHBondContact O-N 3.12Å; L1321-Q1325 WeakPolarHBondContact O-CB 3.17Å; L1321-Q1325 VanDerWaalsContact O-CG 3.3Å; L1321-Q1325 WeakPolarHBondContact O-CG 3.18Å; L1321-Q1325 PolarHBondContact O-N 3.37Å; L1321-V1334 HydrophobicContact CD2-CB 3.98Å; L1321-V1334 HydrophobicContact CD2-CG1 3.52Å; L1321-A1336 HydrophobicContact CD1-CB 3.82Å; L1321-A1336 HydrophobicContact CD2-CB 4.18Å; L1321-A1336 HydrophobicContact CG-CB 3.91Å; L1321-V1344 HydrophobicContact CD1-CB 3.88Å; L1321-V1344 HydrophobicContact CD1-CG1 3.41Å; L1321-V1344 VanDerWaalsContact CD1-CG1 3.41Å; L1321-V1346 HydrophobicContact CD1-CG2 3.71Å; L1321-V1346 HydrophobicContact CD2-CG2 4.07Å; L1321-V1346 HydrophobicContact CG-CG2 4.44Å
1322K65.2Low60.2Low55 Ų5565.1 Ų65.124%0.23935%0.346CS..Hα-helixtrans-69.5-48.4178.1-168.8162.6-178.9177.50110.9L1318 C1319 D1320 Q1324 Q1325 D1326 Y1373 I1377L1318-K1322 WeakPolarHBondContact O-CB 3.32Å; L1318-K1322 PolarHBondContact O-N 3.03Å; L1318-K1322 VanDerWaalsContact O-N 3.07Å; C1319-K1322 WeakPolarHBondContact O-CA 3.34Å; C1319-K1322 WeakPolarHBondContact O-CB 3.49Å; C1319-K1322 PolarHBondContact O-N 3.37Å; D1320-K1322 VanDerWaalsContact C-N 3.35Å; K1322-Q1324 VanDerWaalsContact C-N 3.3Å; K1322-Q1324 PolarHBondContact O-N 3.48Å; K1322-Q1325 PolarHBondContact O-N 3.5Å; K1322-Q1325 VanDerWaalsContact O-N 3.12Å; K1322-D1326 WeakPolarHBondContact O-CB 3.45Å; K1322-D1326 PolarHBondContact O-N 2.69Å; K1322-Y1373 HydrophobicContact CD-CE1 4.37Å; K1322-I1377 HydrophobicContact CD-CD1 3.66Å
1323E63.7Low60.3Low139 Ų13966.6 Ų66.665%0.6535%0.345SS*.Hα-helixtrans-62.6-36176.9-169.2170.1-12500111.7C1319 S1327C1319-E1323 PolarHBondContact O-N 2.89Å; E1323-S1327 WeakPolarHBondContact O-CB 3.34Å; E1323-S1327 PolarHBondContact O-N 3Å; E1323-S1327 PolarHBondContact O-OG 3.23Å
1324Q62Low60.3Low100 Ų10066.8 Ų66.847%0.46735%0.347SS..Hα-helixtrans-70.7-35.5172.2-73-175.155.400113.7D1320 K1322 K1328D1320-Q1324 VanDerWaalsContact O-CB 3.27Å; D1320-Q1324 WeakPolarHBondContact O-CB 3.37Å; D1320-Q1324 VanDerWaalsContact O-CG 3.23Å; D1320-Q1324 WeakPolarHBondContact O-CG 3.38Å; D1320-Q1324 PolarHBondContact O-N 3.01Å; K1322-Q1324 VanDerWaalsContact C-N 3.3Å; K1322-Q1324 PolarHBondContact O-N 3.48Å; Q1324-K1328 WeakPolarHBondContact O-CB 3.1Å; Q1324-K1328 PolarHBondContact O-N 3.07Å
1325Q60.8Low60.3Low11 Ų1172 Ų725%0.05137%0.374CS..Hα-helixtrans-67-46.8173.5-79.3179.311.400111.3L1321 K1322 N1329 R1353 Y1355L1321-Q1325 WeakPolarHBondContact O-CB 3.17Å; L1321-Q1325 VanDerWaalsContact O-CG 3.3Å; L1321-Q1325 WeakPolarHBondContact O-CG 3.18Å; L1321-Q1325 PolarHBondContact O-N 3.37Å; K1322-Q1325 PolarHBondContact O-N 3.5Å; K1322-Q1325 VanDerWaalsContact O-N 3.12Å; Q1325-N1329 PolarHBondContact O-N 3.06Å; Q1325-N1329 VanDerWaalsContact O-N 3.07Å; Q1325-R1353 VanDerWaalsContact OE1-CZ 3.26Å; Q1325-Y1355 PolarHBondContact OE1-OH 2.88Å
1326D59.7Low60.5Low117 Ų11772.8 Ų72.863%0.62638%0.381SS*.Hα-helixtrans-70.9-33.6-177.4-67-16.9000111.8K1322K1322-D1326 WeakPolarHBondContact O-CB 3.45Å; K1322-D1326 PolarHBondContact O-N 2.69Å
1327S53.4Low60.8Low80 Ų8075.9 Ų75.956%0.55939%0.388SS*.Hα-helixtrans-86.3-27.6178.164.10000115.5E1323E1323-S1327 WeakPolarHBondContact O-CB 3.34Å; E1323-S1327 PolarHBondContact O-N 3Å; E1323-S1327 PolarHBondContact O-OG 3.23Å
1328K49.5Very low61Low127 Ų12775.9 Ų75.955%0.55239%0.388SS*.Hα-helixtrans-116.11.9-173.2-61.3175.9-175.9168.20115.1Q1324 Y1330Q1324-K1328 WeakPolarHBondContact O-CB 3.1Å; Q1324-K1328 PolarHBondContact O-N 3.07Å; K1328-Y1330 HydrophobicContact CB-CD2 3.99Å; K1328-Y1330 PolarHBondContact O-N 3.27Å
1329N49.5Very low61.2Low126 Ų12682.7 Ų82.767%0.67443%0.425SS*.THydrogen-bonded Turntrans56.536.9174.9-141.5-9.3000112.1Q1325 F1331Q1325-N1329 PolarHBondContact O-N 3.06Å; Q1325-N1329 VanDerWaalsContact O-N 3.07Å; N1329-F1331 VanDerWaalsContact O-CD2 3.32Å; N1329-F1331 WeakPolarHBondContact O-CD2 2.97Å; N1329-F1331 PolarHBondContact O-N 3.36Å; N1329-F1331 VanDerWaalsContact OD1-CE2 3.31Å; N1329-F1331 WeakPolarHBondContact OD1-CE2 3.21Å
1330Y49.9Very low61.3Low148 Ų14881.9 Ų81.958%0.5842%0.423SS*.  trans-85.4107.8-168.9-121.8-108.2000110.9K1328 V1334K1328-Y1330 HydrophobicContact CB-CD2 3.99Å; K1328-Y1330 PolarHBondContact O-N 3.27Å; Y1330-V1334 HydrophobicContact CD1-CG2 4.48Å
1331F50.7Low61.3Low143 Ų14381 Ų8163%0.62742%0.419SS*.  trans-95.919.7179.4-75.9-85.6000114.1N1329N1329-F1331 VanDerWaalsContact O-CD2 3.32Å; N1329-F1331 WeakPolarHBondContact O-CD2 2.97Å; N1329-F1331 PolarHBondContact O-N 3.36Å; N1329-F1331 VanDerWaalsContact OD1-CE2 3.31Å; N1329-F1331 WeakPolarHBondContact OD1-CE2 3.21Å
1332G52.8Low61.4Low33 Ų3381.7 Ų81.734%0.3442%0.421SS..SBendtrans-90.1167.4179.900000113.9
1333D60.7Low61.7Low89 Ų8985 Ų8548%0.47643%0.432SS..  trans-65.2129.5157.9-73.9-0.7000108.1V1346 K1347 G1348D1333-V1346 CarbonylContact C-O 3.53Å; D1333-V1346 VanDerWaalsContact CA-O 3.28Å; D1333-V1346 WeakPolarHBondContact CA-O 3.26Å; D1333-K1347 VanDerWaalsContact OD1-CA 3.3Å; D1333-K1347 WeakPolarHBondContact OD1-CA 3.29Å; D1333-K1347 WeakPolarHBondContact OD2-CD 3.35Å; D1333-K1347 VanDerWaalsContact OD2-CE 3.28Å; D1333-K1347 WeakPolarHBondContact OD2-CE 3.42Å; D1333-K1347 IonicContact OD2-NZ 3.04Å; D1333-K1347 PolarHBondContact OD2-NZ 2.67Å; D1333-G1348 PolarHBondContact OD1-N 3.15Å
1334V63.6Low62Low35 Ų3578.3 Ų78.321%0.21240%0.401CS..EExtended strand (participates in β ladder)trans-127.4133.9-179.2-1710000109.3L1321 Y1330 V1346L1321-V1334 HydrophobicContact CD2-CB 3.98Å; L1321-V1334 HydrophobicContact CD2-CG1 3.52Å; Y1330-V1334 HydrophobicContact CD1-CG2 4.48Å; V1334-V1346 PolarHBondContact N-O 2.79Å; V1334-V1346 PolarHBondContact O-N 3.2Å
1335I64Low62.2Low112 Ų11275.2 Ų75.257%0.57439%0.392SS*.EExtended strand (participates in β ladder)trans-119.3114.1172.4-59.2178000107.4W1343 V1344 A1345I1335-W1343 HydrophobicContact CG2-CE3 3.55Å; I1335-W1343 HydrophobicContact CG2-CZ3 3.99Å; I1335-V1344 WeakPolarHBondContact CA-O 3.29Å; I1335-A1345 HydrophobicContact CG1-CB 4.15Å
1336A67.2Low62.5Low25 Ų2574.9 Ų74.921%0.20739%0.391CS..EExtended strand (participates in β ladder)trans-100.7142.4171.700000109.6L1321 W1343 V1344L1321-A1336 HydrophobicContact CD1-CB 3.82Å; L1321-A1336 HydrophobicContact CD2-CB 4.18Å; L1321-A1336 HydrophobicContact CG-CB 3.91Å; A1336-W1343 CarbonylContact O-C 3.6Å; A1336-V1344 PolarHBondContact N-O 3.06Å; A1336-V1344 PolarHBondContact O-N 2.95Å
1337K69.5Low62.5Low118 Ų11875.3 Ų75.351%0.51339%0.387SS..EExtended strand (participates in β ladder)trans-93.8132.2163.9-166.7-154.1168-92.60107.5D1339 G1340K1337-D1339 PolarHBondContact NZ-O 2.84Å; K1337-G1340 WeakPolarHBondContact CE-O 3.44Å; K1337-G1340 PolarHBondContact NZ-O 3.49Å
1338A72.5Confident62.3Low4 Ų472.6 Ų72.63%0.03337%0.372CS..PPolyproline II helixtrans-71.1167166.200000110.5D1313 A1317 G1340 W1342D1313-A1338 HydrophobicContact CB-CB 3.91Å; D1313-A1338 WeakPolarHBondContact O-CB 3.24Å; D1313-A1338 VanDerWaalsContact OD2-CB 3.3Å; D1313-A1338 WeakPolarHBondContact OD2-CB 3.12Å; A1317-A1338 HydrophobicContact CB-CB 4.09Å; A1338-G1340 VanDerWaalsContact C-N 3.28Å; A1338-G1340 PolarHBondContact O-N 3.38Å; A1338-W1342 HydrophobicContact CB-CB 3.89Å; A1338-W1342 WeakPolarHBondContact CB-O 3.32Å; A1338-W1342 PolarHBondContact N-O 2.91Å
1339D69.1Low62.2Low150 Ų15069.5 Ų69.580%0.80237%0.367SS*.SBendtrans-62.3-35.8177.4-81.5-33.1000112.6D1313 K1337D1313-D1339 HydrophobicContact CB-CB 4.22Å; K1337-D1339 PolarHBondContact NZ-O 2.84Å
1340G67.5Low62.5Low27 Ų2765.7 Ų65.728%0.27836%0.357SS..SBendtrans-83.1-150.5175.600000114.3D1313 K1337 A1338 W1342D1313-G1340 WeakPolarHBondContact OD2-CA 3.23Å; D1313-G1340 PolarHBondContact OD2-N 3.13Å; K1337-G1340 WeakPolarHBondContact CE-O 3.44Å; K1337-G1340 PolarHBondContact NZ-O 3.49Å; A1338-G1340 VanDerWaalsContact C-N 3.28Å; A1338-G1340 PolarHBondContact O-N 3.38Å; G1340-W1342 VanDerWaalsContact C-N 3.26Å; G1340-W1342 PolarHBondContact O-N 3.03Å
1341D68Low62.1Low57 Ų5763.7 Ų63.731%0.30536%0.363SS..SBendtrans-88.639.5-178.4-69.1-72.8000112.6H1359 V1360 K1361D1341-H1359 CarbonylContact O-C 3.6Å; D1341-H1359 WeakPolarHBondContact O-CA 3.42Å; D1341-H1359 PolarHBondContact O-ND1 3Å; D1341-V1360 HydrophobicContact CB-CB 4.3Å; D1341-V1360 WeakPolarHBondContact O-CG2 3.49Å; D1341-V1360 PolarHBondContact O-N 2.92Å; D1341-K1361 HydrophobicContact CB-CD 4.25Å; D1341-K1361 HydrophobicContact CB-CG 4.26Å; D1341-K1361 VanDerWaalsContact CG-CE 3.4Å; D1341-K1361 WeakPolarHBondContact OD1-CE 3.48Å; D1341-K1361 IonicContact OD1-NZ 3.34Å; D1341-K1361 PolarHBondContact OD1-NZ 3.42Å; D1341-K1361 VanDerWaalsContact OD1-NZ 3.11Å; D1341-K1361 WeakPolarHBondContact OD2-CD 3.48Å; D1341-K1361 VanDerWaalsContact OD2-CE 3.29Å; D1341-K1361 WeakPolarHBondContact OD2-CE 3.28Å; D1341-K1361 IonicContact OD2-NZ 2.64Å; D1341-K1361 PolarHBondContact OD2-NZ 3.33Å
1342W70.5Confident61.7Low19 Ų1964.8 Ų64.87%0.07236%0.363CS..EExtended strand (participates in β ladder)trans-125145.9-179.6-66.486.8000113.2P1311 V1314 A1338 G1340 A1357 L1358 H1359 N1364 I1366P1311-W1342 HydrophobicContact CG-CZ2 3.75Å; V1314-W1342 HydrophobicContact CG2-CB 3.53Å; V1314-W1342 HydrophobicContact CG2-CD2 3.39Å; V1314-W1342 HydrophobicContact CG2-CE3 3.8Å; V1314-W1342 HydrophobicContact CG2-CG 3.28Å; A1338-W1342 HydrophobicContact CB-CB 3.89Å; A1338-W1342 WeakPolarHBondContact CB-O 3.32Å; A1338-W1342 PolarHBondContact N-O 2.91Å; G1340-W1342 VanDerWaalsContact C-N 3.26Å; G1340-W1342 PolarHBondContact O-N 3.03Å; W1342-A1357 HydrophobicContact CE3-CB 4.19Å; W1342-A1357 HydrophobicContact CZ3-CB 4.41Å; W1342-L1358 CarbonylContact C-O 3.52Å; W1342-L1358 WeakPolarHBondContact CA-O 3.42Å; W1342-H1359 HydrophobicContact CD2-CB 3.67Å; W1342-H1359 AromaticContact CD2-CG 3.84Å; W1342-H1359 AromaticContact CE2-CD2 3.5Å; W1342-H1359 VanDerWaalsContact CE2-CD2 3.5Å; W1342-H1359 AromaticContact CE2-CG 3.5Å; W1342-H1359 HydrophobicContact CE3-CB 3.64Å; W1342-H1359 HydrophobicContact CG-CB 4.45Å; W1342-H1359 HydrophobicContact CH2-CB 3.78Å; W1342-H1359 HydrophobicContact CZ2-CB 3.81Å; W1342-H1359 AromaticContact CZ2-CD2 3.36Å; W1342-H1359 WeakPolarHBondContact CZ2-CD2 3.28Å; W1342-H1359 AromaticContact CZ2-CG 3.71Å; W1342-H1359 HydrophobicContact CZ3-CB 3.69Å; W1342-H1359 AromaticContact NE1-CD2 3.75Å; W1342-H1359 AromaticContact NE1-CE1 3.99Å; W1342-H1359 AromaticContact NE1-CG 3.8Å; W1342-H1359 AromaticContact NE1-ND1 3.92Å; W1342-H1359 AromaticContact NE1-NE2 3.92Å; W1342-N1364 HydrophobicContact CH2-CB 4.29Å; W1342-I1366 HydrophobicContact CH2-CD1 3.82Å; W1342-I1366 HydrophobicContact CH2-CG1 4.24Å; W1342-I1366 HydrophobicContact CZ3-CD1 3.72Å; W1342-I1366 HydrophobicContact CZ3-CG1 3.95Å
1343W71.2Confident61.5Low124 Ų12466.9 Ų66.947%0.4736%0.361SS..EExtended strand (participates in β ladder)trans-123.7124.8176-73.554.7000109I1335 A1336 A1357 L1358 V1360I1335-W1343 HydrophobicContact CG2-CE3 3.55Å; I1335-W1343 HydrophobicContact CG2-CZ3 3.99Å; A1336-W1343 CarbonylContact O-C 3.6Å; W1343-A1357 CarbonylContact O-C 3.45Å; W1343-A1357 WeakPolarHBondContact O-CA 3.43Å; W1343-L1358 PolarHBondContact N-O 2.82Å; W1343-L1358 PolarHBondContact O-N 3.14Å; W1343-V1360 HydrophobicContact CG-CG2 4.34Å
1344V71Confident61.2Low0 Ų065.3 Ų65.30%035%0.352CS..EExtended strand (participates in β ladder)trans-105.1106.4178.4-175.70000108.8V1314 A1317 L1318 L1321 I1335 A1336 V1356 A1357V1314-V1344 HydrophobicContact CG1-CG2 4.18Å; A1317-V1344 HydrophobicContact CB-CG2 4Å; L1318-V1344 HydrophobicContact CD2-CG1 3.58Å; L1318-V1344 HydrophobicContact CG-CG1 4.23Å; L1321-V1344 HydrophobicContact CD1-CB 3.88Å; L1321-V1344 HydrophobicContact CD1-CG1 3.41Å; L1321-V1344 VanDerWaalsContact CD1-CG1 3.41Å; I1335-V1344 WeakPolarHBondContact CA-O 3.29Å; A1336-V1344 PolarHBondContact N-O 3.06Å; A1336-V1344 PolarHBondContact O-N 2.95Å; V1344-V1356 CarbonylContact C-O 3.42Å; V1344-V1356 WeakPolarHBondContact CA-O 3.39Å; V1344-A1357 HydrophobicContact CG2-CB 4.27Å
1345A66Low61Low35 Ų3563.8 Ų63.829%0.28934%0.343SS..EExtended strand (participates in β ladder)trans-97.2125.5175.400000110.4I1335 V1356I1335-A1345 HydrophobicContact CG1-CB 4.15Å; A1345-V1356 PolarHBondContact N-O 3.15Å; A1345-V1356 PolarHBondContact O-N 2.85Å
1346V67.3Low60.7Low4 Ų459.9 Ų59.92%0.02432%0.324CS..EExtended strand (participates in β ladder)trans-112.4115.3172.9-166.60000108.6L1321 D1333 V1334 R1353 L1354 Y1355L1321-V1346 HydrophobicContact CD1-CG2 3.71Å; L1321-V1346 HydrophobicContact CD2-CG2 4.07Å; L1321-V1346 HydrophobicContact CG-CG2 4.44Å; D1333-V1346 CarbonylContact C-O 3.53Å; D1333-V1346 VanDerWaalsContact CA-O 3.28Å; D1333-V1346 WeakPolarHBondContact CA-O 3.26Å; V1334-V1346 PolarHBondContact N-O 2.79Å; V1334-V1346 PolarHBondContact O-N 3.2Å; V1346-R1353 HydrophobicContact CG1-CB 4.44Å; V1346-L1354 CarbonylContact C-O 3.55Å; V1346-L1354 WeakPolarHBondContact CA-O 3.25Å; V1346-Y1355 HydrophobicContact CB-CD1 4.08Å; V1346-Y1355 HydrophobicContact CB-CE1 4.31Å; V1346-Y1355 HydrophobicContact CG1-CD1 3.56Å; V1346-Y1355 HydrophobicContact CG1-CE1 3.49Å; V1346-Y1355 VanDerWaalsContact CG1-CE1 3.49Å; V1346-Y1355 HydrophobicContact CG1-CE2 4.47Å; V1346-Y1355 HydrophobicContact CG1-CG 4.07Å; V1346-Y1355 HydrophobicContact CG2-CD1 3.46Å; V1346-Y1355 VanDerWaalsContact CG2-CD1 3.46Å; V1346-Y1355 HydrophobicContact CG2-CE1 3.81Å; V1346-Y1355 HydrophobicContact CG2-CG 4.4Å
1347K58Low60.4Low125 Ų12558.7 Ų58.754%0.54331%0.314SS..EExtended strand (participates in β ladder)trans-103.8118.5177.7-176.6128.1-168.21330110.3D1333 R1353 L1354D1333-K1347 VanDerWaalsContact OD1-CA 3.3Å; D1333-K1347 WeakPolarHBondContact OD1-CA 3.29Å; D1333-K1347 WeakPolarHBondContact OD2-CD 3.35Å; D1333-K1347 VanDerWaalsContact OD2-CE 3.28Å; D1333-K1347 WeakPolarHBondContact OD2-CE 3.42Å; D1333-K1347 IonicContact OD2-NZ 3.04Å; D1333-K1347 PolarHBondContact OD2-NZ 2.67Å; K1347-R1353 WeakPolarHBondContact O-CA 3.22Å; K1347-L1354 HydrophobicContact CB-CB 4.29Å; K1347-L1354 PolarHBondContact N-O 3.15Å; K1347-L1354 PolarHBondContact O-N 3.39Å
1348G50.4Low60Low24 Ų2456.7 Ų56.725%0.24731%0.309CS..EExtended strand (participates in β ladder)trans-108.5106.2-172.900000112.9D1333D1333-G1348 PolarHBondContact OD1-N 3.15Å
1349S46Very low59.7Low62 Ų6258 Ų5843%0.43431%0.314SS..EExtended strand (participates in β ladder)trans-109.385.3170.1-166.80000110.1Y1283 C1351 R1352Y1283-S1349 PolarHBondContact OH-OG 2.95Å; S1349-C1351 PolarHBondContact O-N 3.49Å; S1349-C1351 VanDerWaalsContact O-N 3.15Å; S1349-R1352 PolarHBondContact N-O 2.95Å; S1349-R1352 PolarHBondContact O-N 3.43Å; S1349-R1352 VanDerWaalsContact O-N 3.12Å
1350G56.8Low59Low46 Ų4654.8 Ų54.847%0.47430%0.3SS..THydrogen-bonded Turntrans62.6-113.6-17700000112
1351C41Very low58Low105 Ų10560.8 Ų60.871%0.70932%0.318SS*.THydrogen-bonded Turntrans-86.1-8.9-179.3-50.70000113.6S1349S1349-C1351 PolarHBondContact O-N 3.49Å; S1349-C1351 VanDerWaalsContact O-N 3.15Å
1352R41.8Very low56.9Low166 Ų16662.1 Ų62.163%0.62633%0.325SS*.EExtended strand (participates in β ladder)trans-99.4124.9177.7-65.7-179179.4173.10.1109.3D1284 S1349D1284-R1352 PolarHBondContact O-NH1 2.86Å; S1349-R1352 PolarHBondContact N-O 2.95Å; S1349-R1352 PolarHBondContact O-N 3.43Å; S1349-R1352 VanDerWaalsContact O-N 3.12Å
1353R50.5Low55.5Low78 Ų7863.6 Ų63.629%0.29435%0.347SS..EExtended strand (participates in β ladder)trans-116.4127.5172.8-65.4179.1-174.4155.20.8109.4Q1325 V1346 K1347 Y1355Q1325-R1353 VanDerWaalsContact OE1-CZ 3.26Å; V1346-R1353 HydrophobicContact CG1-CB 4.44Å; K1347-R1353 WeakPolarHBondContact O-CA 3.22Å; R1353-Y1355 HydrophobicContact CB-CD2 4.1Å; R1353-Y1355 HydrophobicContact CB-CE2 3.51Å; R1353-Y1355 WeakPolarHBondContact CD-OH 3.48Å; R1353-Y1355 HydrophobicContact CG-CE2 4.47Å
1354L54Low54.4Low55 Ų5562.1 Ų62.129%0.28835%0.348SS..EExtended strand (participates in β ladder)trans-99.9122.4168.8174.578.2000107.2L1281 V1346 K1347 V1356L1281-L1354 HydrophobicContact CD2-CD2 3.73Å; V1346-L1354 CarbonylContact C-O 3.55Å; V1346-L1354 WeakPolarHBondContact CA-O 3.25Å; K1347-L1354 HydrophobicContact CB-CB 4.29Å; K1347-L1354 PolarHBondContact N-O 3.15Å; K1347-L1354 PolarHBondContact O-N 3.39Å; L1354-V1356 HydrophobicContact CD1-CG2 4.37Å; L1354-V1356 HydrophobicContact CD2-CG2 4Å; L1354-V1356 HydrophobicContact CG-CG2 3.88Å
1355Y58.7Low53Low4 Ų466 Ų662%0.01637%0.368CS..EExtended strand (participates in β ladder)trans-111.1124.4176.2-61.1-103.3000108.6Q1325 V1346 R1353 T1368 Y1373Q1325-Y1355 PolarHBondContact OE1-OH 2.88Å; V1346-Y1355 HydrophobicContact CB-CD1 4.08Å; V1346-Y1355 HydrophobicContact CB-CE1 4.31Å; V1346-Y1355 HydrophobicContact CG1-CD1 3.56Å; V1346-Y1355 HydrophobicContact CG1-CE1 3.49Å; V1346-Y1355 VanDerWaalsContact CG1-CE1 3.49Å; V1346-Y1355 HydrophobicContact CG1-CE2 4.47Å; V1346-Y1355 HydrophobicContact CG1-CG 4.07Å; V1346-Y1355 HydrophobicContact CG2-CD1 3.46Å; V1346-Y1355 VanDerWaalsContact CG2-CD1 3.46Å; V1346-Y1355 HydrophobicContact CG2-CE1 3.81Å; V1346-Y1355 HydrophobicContact CG2-CG 4.4Å; R1353-Y1355 HydrophobicContact CB-CD2 4.1Å; R1353-Y1355 HydrophobicContact CB-CE2 3.51Å; R1353-Y1355 WeakPolarHBondContact CD-OH 3.48Å; R1353-Y1355 HydrophobicContact CG-CE2 4.47Å; Y1355-T1368 WeakPolarHBondContact CB-OG1 3.45Å; Y1355-T1368 WeakPolarHBondContact O-CA 3.27Å; Y1355-T1368 PolarHBondContact O-N 2.87Å; Y1355-T1368 PolarHBondContact O-OG1 2.69Å; Y1355-Y1373 AromaticContact CD1-CD2 3.74Å; Y1355-Y1373 HydrophobicContact CD1-CD2 3.74Å; Y1355-Y1373 AromaticContact CD1-CE2 3.38Å; Y1355-Y1373 HydrophobicContact CD1-CE2 3.38Å; Y1355-Y1373 AromaticContact CD1-CZ 3.99Å; Y1355-Y1373 AromaticContact CD2-CD2 3.95Å; Y1355-Y1373 HydrophobicContact CD2-CD2 3.95Å; Y1355-Y1373 HydrophobicContact CD2-CE2 4.31Å; Y1355-Y1373 HydrophobicContact CD2-CG 4.15Å; Y1355-Y1373 AromaticContact CE1-CD2 3.97Å; Y1355-Y1373 HydrophobicContact CE1-CD2 3.97Å; Y1355-Y1373 HydrophobicContact CE1-CE1 4.11Å; Y1355-Y1373 AromaticContact CE1-CE2 3.32Å; Y1355-Y1373 HydrophobicContact CE1-CE2 3.32Å; Y1355-Y1373 AromaticContact CE1-CZ 3.4Å; Y1355-Y1373 VanDerWaalsContact CE1-CZ 3.4Å; Y1355-Y1373 HydrophobicContact CE2-CD1 4.16Å; Y1355-Y1373 HydrophobicContact CE2-CD2 4.15Å; Y1355-Y1373 HydrophobicContact CE2-CE1 4.23Å; Y1355-Y1373 HydrophobicContact CE2-CE2 4.25Å; Y1355-Y1373 HydrophobicContact CE2-CG 4.12Å; Y1355-Y1373 AromaticContact CG-CD2 3.76Å; Y1355-Y1373 HydrophobicContact CG-CD2 3.76Å; Y1355-Y1373 AromaticContact CG-CE2 3.91Å; Y1355-Y1373 HydrophobicContact CG-CE2 3.91Å; Y1355-Y1373 HydrophobicContact CG-CG 4.41Å; Y1355-Y1373 AromaticContact CZ-CE1 3.77Å; Y1355-Y1373 AromaticContact CZ-CE2 3.78Å; Y1355-Y1373 AromaticContact CZ-CZ 3.57Å
1356V58.2Low52.3Low30 Ų3066.8 Ų66.818%0.18237%0.367CS..EExtended strand (participates in β ladder)trans-128.3121.4-177.2-177.20000109.2V1344 A1345 L1354 L1365V1344-V1356 CarbonylContact C-O 3.42Å; V1344-V1356 WeakPolarHBondContact CA-O 3.39Å; A1345-V1356 PolarHBondContact N-O 3.15Å; A1345-V1356 PolarHBondContact O-N 2.85Å; L1354-V1356 HydrophobicContact CD1-CG2 4.37Å; L1354-V1356 HydrophobicContact CD2-CG2 4Å; L1354-V1356 HydrophobicContact CG-CG2 3.88Å; V1356-L1365 HydrophobicContact CG1-CD1 4.07Å; V1356-L1365 HydrophobicContact CG1-CD2 3.72Å; V1356-L1365 HydrophobicContact CG1-CG 3.62Å
1357A60.3Low51.4Low0 Ų069.5 Ų69.50%038%0.381CS..EExtended strand (participates in β ladder)trans-101.4121.3168.800000110V1314 W1342 W1343 V1344 L1365 I1366V1314-A1357 HydrophobicContact CG1-CB 3.74Å; W1342-A1357 HydrophobicContact CE3-CB 4.19Å; W1342-A1357 HydrophobicContact CZ3-CB 4.41Å; W1343-A1357 CarbonylContact O-C 3.45Å; W1343-A1357 WeakPolarHBondContact O-CA 3.43Å; V1344-A1357 HydrophobicContact CG2-CB 4.27Å; A1357-L1365 WeakPolarHBondContact O-CA 3.34Å; A1357-I1366 HydrophobicContact CB-CB 4.24Å; A1357-I1366 HydrophobicContact CB-CD1 4.44Å; A1357-I1366 PolarHBondContact N-O 2.72Å; A1357-I1366 VanDerWaalsContact N-O 3.17Å; A1357-I1366 PolarHBondContact O-N 2.99Å
1358L61.4Low50.8Low75 Ų7563.6 Ų63.639%0.39336%0.356SS..EExtended strand (participates in β ladder)trans-115.6125.8-176.9-175.581.4000110.5W1342 W1343 N1364 L1365W1342-L1358 CarbonylContact C-O 3.52Å; W1342-L1358 WeakPolarHBondContact CA-O 3.42Å; W1343-L1358 PolarHBondContact N-O 2.82Å; W1343-L1358 PolarHBondContact O-N 3.14Å; L1358-N1364 WeakPolarHBondContact CA-O 3.4Å; L1358-L1365 HydrophobicContact CD1-CB 4.32Å; L1358-L1365 HydrophobicContact CD1-CD1 4.29Å; L1358-L1365 HydrophobicContact CD1-CG 4.43Å
1359H65.2Low50.6Low32 Ų3264.6 Ų64.615%0.14836%0.359CS..EExtended strand (participates in β ladder)trans-90.3117.3177-166.1-6.6000111.7D1341 W1342 K1361 N1362 G1363 N1364D1341-H1359 CarbonylContact O-C 3.6Å; D1341-H1359 WeakPolarHBondContact O-CA 3.42Å; D1341-H1359 PolarHBondContact O-ND1 3Å; W1342-H1359 HydrophobicContact CD2-CB 3.67Å; W1342-H1359 AromaticContact CD2-CG 3.84Å; W1342-H1359 AromaticContact CE2-CD2 3.5Å; W1342-H1359 VanDerWaalsContact CE2-CD2 3.5Å; W1342-H1359 AromaticContact CE2-CG 3.5Å; W1342-H1359 HydrophobicContact CE3-CB 3.64Å; W1342-H1359 HydrophobicContact CG-CB 4.45Å; W1342-H1359 HydrophobicContact CH2-CB 3.78Å; W1342-H1359 HydrophobicContact CZ2-CB 3.81Å; W1342-H1359 AromaticContact CZ2-CD2 3.36Å; W1342-H1359 WeakPolarHBondContact CZ2-CD2 3.28Å; W1342-H1359 AromaticContact CZ2-CG 3.71Å; W1342-H1359 HydrophobicContact CZ3-CB 3.69Å; W1342-H1359 AromaticContact NE1-CD2 3.75Å; W1342-H1359 AromaticContact NE1-CE1 3.99Å; W1342-H1359 AromaticContact NE1-CG 3.8Å; W1342-H1359 AromaticContact NE1-ND1 3.92Å; W1342-H1359 AromaticContact NE1-NE2 3.92Å; H1359-K1361 VanDerWaalsContact C-N 3.26Å; H1359-K1361 PolarHBondContact O-N 3.1Å; H1359-K1361 VanDerWaalsContact O-N 3.17Å; H1359-N1362 VanDerWaalsContact CB-OD1 3.25Å; H1359-N1362 WeakPolarHBondContact CB-OD1 3.47Å; H1359-N1362 PolarHBondContact CD2-ND2 2.94Å; H1359-N1362 PolarHBondContact CD2-OD1 2.69Å; H1359-N1362 PolarHBondContact NE2-ND2 2.95Å; H1359-N1362 VanDerWaalsContact NE2-ND2 3.13Å; H1359-N1362 PolarHBondContact O-N 3.19Å; H1359-G1363 WeakPolarHBondContact O-CA 3.28Å; H1359-G1363 PolarHBondContact O-N 3.39Å; H1359-N1364 HydrophobicContact CB-CB 4.15Å; H1359-N1364 PolarHBondContact N-O 2.8Å
1360V55.4Low50.3Low83 Ų8367.8 Ų67.850%0.50337%0.369SS..THydrogen-bonded Turntrans-57-33.1-173.5-178.20000113.6D1341 W1343D1341-V1360 HydrophobicContact CB-CB 4.3Å; D1341-V1360 WeakPolarHBondContact O-CG2 3.49Å; D1341-V1360 PolarHBondContact O-N 2.92Å; W1343-V1360 HydrophobicContact CG-CG2 4.34Å
1361K46.2Very low49.8Very low152 Ų15269.5 Ų69.566%0.66138%0.378SS*.THydrogen-bonded Turntrans-95.2-16.6-171.3-74.6-178.9178.5153.70115.5D1341 H1359D1341-K1361 HydrophobicContact CB-CD 4.25Å; D1341-K1361 HydrophobicContact CB-CG 4.26Å; D1341-K1361 VanDerWaalsContact CG-CE 3.4Å; D1341-K1361 WeakPolarHBondContact OD1-CE 3.48Å; D1341-K1361 IonicContact OD1-NZ 3.34Å; D1341-K1361 PolarHBondContact OD1-NZ 3.42Å; D1341-K1361 VanDerWaalsContact OD1-NZ 3.11Å; D1341-K1361 WeakPolarHBondContact OD2-CD 3.48Å; D1341-K1361 VanDerWaalsContact OD2-CE 3.29Å; D1341-K1361 WeakPolarHBondContact OD2-CE 3.28Å; D1341-K1361 IonicContact OD2-NZ 2.64Å; D1341-K1361 PolarHBondContact OD2-NZ 3.33Å; H1359-K1361 VanDerWaalsContact C-N 3.26Å; H1359-K1361 PolarHBondContact O-N 3.1Å; H1359-K1361 VanDerWaalsContact O-N 3.17Å
1362N46.2Very low50.1Low86 Ų8667 Ų6746%0.4636%0.357SS..THydrogen-bonded Turntrans-140.44.3-178.555.936.4000114.5H1359 N1364H1359-N1362 VanDerWaalsContact CB-OD1 3.25Å; H1359-N1362 WeakPolarHBondContact CB-OD1 3.47Å; H1359-N1362 PolarHBondContact CD2-ND2 2.94Å; H1359-N1362 PolarHBondContact CD2-OD1 2.69Å; H1359-N1362 PolarHBondContact NE2-ND2 2.95Å; H1359-N1362 VanDerWaalsContact NE2-ND2 3.13Å; H1359-N1362 PolarHBondContact O-N 3.19Å; N1362-N1364 PolarHBondContact O-N 2.88Å; N1362-N1364 VanDerWaalsContact O-N 3.15Å; N1362-N1364 WeakPolarHBondContact OD1-CB 3.26Å; N1362-N1364 PolarHBondContact OD1-N 3.24Å; N1362-N1364 PolarHBondContact OD1-ND2 2.75Å; N1362-N1364 VanDerWaalsContact OD1-ND2 3.09Å
1363G39.5Very low50.3Low50 Ų5059.6 Ų59.652%0.51533%0.33SS..  trans72.91.7172.500000115.3H1359 L1365H1359-G1363 WeakPolarHBondContact O-CA 3.28Å; H1359-G1363 PolarHBondContact O-N 3.39Å; G1363-L1365 PolarHBondContact O-N 3.03Å
1364N48Very low50.5Low93 Ų9359.6 Ų59.650%0.49733%0.333SS..  trans-56.2126178.8-76.8-30.6000110.7W1342 L1358 H1359 N1362W1342-N1364 HydrophobicContact CH2-CB 4.29Å; L1358-N1364 WeakPolarHBondContact CA-O 3.4Å; H1359-N1364 HydrophobicContact CB-CB 4.15Å; H1359-N1364 PolarHBondContact N-O 2.8Å; N1362-N1364 PolarHBondContact O-N 2.88Å; N1362-N1364 VanDerWaalsContact O-N 3.15Å; N1362-N1364 WeakPolarHBondContact OD1-CB 3.26Å; N1362-N1364 PolarHBondContact OD1-N 3.24Å; N1362-N1364 PolarHBondContact OD1-ND2 2.75Å; N1362-N1364 VanDerWaalsContact OD1-ND2 3.09Å
1365L41.5Very low50.5Low81 Ų8159.9 Ų59.942%0.42434%0.339SS..EExtended strand (participates in β ladder)trans-118.9108.6-174.8-168.9157.8000109V1356 A1357 L1358 G1363V1356-L1365 HydrophobicContact CG1-CD1 4.07Å; V1356-L1365 HydrophobicContact CG1-CD2 3.72Å; V1356-L1365 HydrophobicContact CG1-CG 3.62Å; A1357-L1365 WeakPolarHBondContact O-CA 3.34Å; L1358-L1365 HydrophobicContact CD1-CB 4.32Å; L1358-L1365 HydrophobicContact CD1-CD1 4.29Å; L1358-L1365 HydrophobicContact CD1-CG 4.43Å; G1363-L1365 PolarHBondContact O-N 3.03Å
1366I53.2Low50Low52 Ų5261.3 Ų61.327%0.26735%0.347SS..EExtended strand (participates in β ladder)trans-90.1107.6175.1-48175.8000107.8P1310 W1342 A1357 T1368P1310-I1366 HydrophobicContact CB-CD1 4.4Å; W1342-I1366 HydrophobicContact CH2-CD1 3.82Å; W1342-I1366 HydrophobicContact CH2-CG1 4.24Å; W1342-I1366 HydrophobicContact CZ3-CD1 3.72Å; W1342-I1366 HydrophobicContact CZ3-CG1 3.95Å; A1357-I1366 HydrophobicContact CB-CB 4.24Å; A1357-I1366 HydrophobicContact CB-CD1 4.44Å; A1357-I1366 PolarHBondContact N-O 2.72Å; A1357-I1366 VanDerWaalsContact N-O 3.17Å; A1357-I1366 PolarHBondContact O-N 2.99Å; I1366-T1368 HydrophobicContact CB-CG2 4.27Å; I1366-T1368 HydrophobicContact CG2-CG2 3.57Å; I1366-T1368 PolarHBondContact O-N 2.76Å; I1366-T1368 VanDerWaalsContact O-N 3.15Å
1367D46.7Very low49.6Very low60 Ų6060.4 Ų60.432%0.32134%0.341SS..EExtended strand (participates in β ladder)trans-72.3100.9167.1179.61.8000109.4F1279 S1369 N1372F1279-D1367 HydrophobicContact CE1-CB 4.02Å; D1367-S1369 VanDerWaalsContact C-N 3.29Å; D1367-S1369 PolarHBondContact O-N 2.61Å; D1367-S1369 PolarHBondContact OD1-N 2.85Å; D1367-N1372 PolarHBondContact O-ND2 3.26Å
1368T46.7Very low49.5Very low2 Ų264.4 Ų64.41%0.01236%0.363CS..  trans-95.260.3176.356.80000110.1Y1355 I1366 L1376Y1355-T1368 WeakPolarHBondContact CB-OG1 3.45Å; Y1355-T1368 WeakPolarHBondContact O-CA 3.27Å; Y1355-T1368 PolarHBondContact O-N 2.87Å; Y1355-T1368 PolarHBondContact O-OG1 2.69Å; I1366-T1368 HydrophobicContact CB-CG2 4.27Å; I1366-T1368 HydrophobicContact CG2-CG2 3.57Å; I1366-T1368 PolarHBondContact O-N 2.76Å; I1366-T1368 VanDerWaalsContact O-N 3.15Å; T1368-L1376 HydrophobicContact CG2-CD1 3.36Å
1369S45.6Very low49Very low44 Ų4463.9 Ų63.931%0.30837%0.365SS..  trans-4315016677.40000111.4D1367 A1371 N1372 Y1373D1367-S1369 VanDerWaalsContact C-N 3.29Å; D1367-S1369 PolarHBondContact O-N 2.61Å; D1367-S1369 PolarHBondContact OD1-N 2.85Å; S1369-A1371 PolarHBondContact O-N 3.3Å; S1369-N1372 CarbonylContact O-C 3.53Å; S1369-N1372 WeakPolarHBondContact O-CA 3.19Å; S1369-N1372 WeakPolarHBondContact O-CB 3.16Å; S1369-N1372 PolarHBondContact O-N 3.03Å; S1369-N1372 PolarHBondContact OG-ND2 3.13Å; S1369-Y1373 PolarHBondContact O-N 3.4Å
1370M39.9Very low47.9Very low130 Ų13062.6 Ų62.664%0.6436%0.36SS*.Hα-helixtrans-59.3-22.4-169.3-166.6173.1-179.800114.5
1371A45.5Very low47.5Very low81 Ų8163 Ų6367%0.66936%0.359SS*.Hα-helixtrans-74.5-40.7171.100000112.9S1369S1369-A1371 PolarHBondContact O-N 3.3Å
1372N48.6Very low47.7Very low52 Ų5258.8 Ų58.828%0.27835%0.352SS..Hα-helixtrans-70.2-39.1173.6-64.4-12.9000111.3D1367 S1369 Q1374 S1375 L1376D1367-N1372 PolarHBondContact O-ND2 3.26Å; S1369-N1372 CarbonylContact O-C 3.53Å; S1369-N1372 WeakPolarHBondContact O-CA 3.19Å; S1369-N1372 WeakPolarHBondContact O-CB 3.16Å; S1369-N1372 PolarHBondContact O-N 3.03Å; S1369-N1372 PolarHBondContact OG-ND2 3.13Å; N1372-Q1374 VanDerWaalsContact C-N 3.29Å; N1372-Q1374 PolarHBondContact O-N 3.33Å; N1372-S1375 PolarHBondContact O-N 3.01Å; N1372-S1375 PolarHBondContact O-OG 2.87Å; N1372-S1375 VanDerWaalsContact O-OG 3.13Å; N1372-L1376 HydrophobicContact CB-CD1 4Å; N1372-L1376 VanDerWaalsContact O-CB 3.25Å; N1372-L1376 WeakPolarHBondContact O-CB 3.38Å; N1372-L1376 WeakPolarHBondContact O-CD1 3.42Å; N1372-L1376 WeakPolarHBondContact O-CG 3.46Å; N1372-L1376 PolarHBondContact O-N 3.26Å
1373Y44.8Very low47.4Very low12 Ų1256.9 Ų56.95%0.04735%0.345CS..Hα-helixtrans-55.2-40.7-176179.7-104.4000112.8L1318 K1322 Y1355 S1369 I1377L1318-Y1373 HydrophobicContact CD2-CD2 4.16Å; L1318-Y1373 HydrophobicContact CD2-CE2 3.74Å; K1322-Y1373 HydrophobicContact CD-CE1 4.37Å; Y1355-Y1373 AromaticContact CD1-CD2 3.74Å; Y1355-Y1373 HydrophobicContact CD1-CD2 3.74Å; Y1355-Y1373 AromaticContact CD1-CE2 3.38Å; Y1355-Y1373 HydrophobicContact CD1-CE2 3.38Å; Y1355-Y1373 AromaticContact CD1-CZ 3.99Å; Y1355-Y1373 AromaticContact CD2-CD2 3.95Å; Y1355-Y1373 HydrophobicContact CD2-CD2 3.95Å; Y1355-Y1373 HydrophobicContact CD2-CE2 4.31Å; Y1355-Y1373 HydrophobicContact CD2-CG 4.15Å; Y1355-Y1373 AromaticContact CE1-CD2 3.97Å; Y1355-Y1373 HydrophobicContact CE1-CD2 3.97Å; Y1355-Y1373 HydrophobicContact CE1-CE1 4.11Å; Y1355-Y1373 AromaticContact CE1-CE2 3.32Å; Y1355-Y1373 HydrophobicContact CE1-CE2 3.32Å; Y1355-Y1373 AromaticContact CE1-CZ 3.4Å; Y1355-Y1373 VanDerWaalsContact CE1-CZ 3.4Å; Y1355-Y1373 HydrophobicContact CE2-CD1 4.16Å; Y1355-Y1373 HydrophobicContact CE2-CD2 4.15Å; Y1355-Y1373 HydrophobicContact CE2-CE1 4.23Å; Y1355-Y1373 HydrophobicContact CE2-CE2 4.25Å; Y1355-Y1373 HydrophobicContact CE2-CG 4.12Å; Y1355-Y1373 AromaticContact CG-CD2 3.76Å; Y1355-Y1373 HydrophobicContact CG-CD2 3.76Å; Y1355-Y1373 AromaticContact CG-CE2 3.91Å; Y1355-Y1373 HydrophobicContact CG-CE2 3.91Å; Y1355-Y1373 HydrophobicContact CG-CG 4.41Å; Y1355-Y1373 AromaticContact CZ-CE1 3.77Å; Y1355-Y1373 AromaticContact CZ-CE2 3.78Å; Y1355-Y1373 AromaticContact CZ-CZ 3.57Å; S1369-Y1373 PolarHBondContact O-N 3.4Å; Y1373-I1377 HydrophobicContact CD1-CD1 3.93Å; Y1373-I1377 HydrophobicContact CD2-CD1 4.37Å; Y1373-I1377 HydrophobicContact CE1-CD1 3.51Å; Y1373-I1377 HydrophobicContact CE2-CD1 3.97Å; Y1373-I1377 HydrophobicContact CG-CD1 4.35Å; Y1373-I1377 WeakPolarHBondContact O-CD1 3.37Å; Y1373-I1377 WeakPolarHBondContact O-CG1 3.35Å; Y1373-I1377 PolarHBondContact O-N 2.59Å; Y1373-I1377 VanDerWaalsContact O-N 3.11Å
1374Q54.1Low47.3Very low78 Ų7856.9 Ų56.936%0.36434%0.337SS..Hα-helixtrans-74.1-45.4177.7-170.257.151.600112.2N1372 L1376 I1377 D1378N1372-Q1374 VanDerWaalsContact C-N 3.29Å; N1372-Q1374 PolarHBondContact O-N 3.33Å; Q1374-L1376 VanDerWaalsContact C-N 3.26Å; Q1374-L1376 PolarHBondContact O-N 2.76Å; Q1374-I1377 PolarHBondContact O-N 3.42Å; Q1374-I1377 VanDerWaalsContact O-N 3.11Å; Q1374-D1378 PolarHBondContact NE2-OD1 2.76Å; Q1374-D1378 PolarHBondContact O-N 2.89Å
1375S54Low47Very low60 Ų6058.9 Ų58.942%0.4235%0.345SS..Hα-helixtrans-66.6-28.1177.963.60000113.1N1372 S1379N1372-S1375 PolarHBondContact O-N 3.01Å; N1372-S1375 PolarHBondContact O-OG 2.87Å; N1372-S1375 VanDerWaalsContact O-OG 3.13Å; S1375-S1379 VanDerWaalsContact O-CB 3.25Å; S1375-S1379 WeakPolarHBondContact O-CB 3.5Å; S1375-S1379 PolarHBondContact O-N 3.36Å; S1375-S1379 PolarHBondContact O-OG 3.02Å
1376L49.4Very low47.4Very low35 Ų3557.6 Ų57.618%0.18334%0.343CS..Hα-helixtrans-71.1-37.2171.8-71.6166.1000112P1310 T1368 N1372 Q1374 A1380P1310-L1376 HydrophobicContact CG-CD2 3.64Å; T1368-L1376 HydrophobicContact CG2-CD1 3.36Å; N1372-L1376 HydrophobicContact CB-CD1 4Å; N1372-L1376 VanDerWaalsContact O-CB 3.25Å; N1372-L1376 WeakPolarHBondContact O-CB 3.38Å; N1372-L1376 WeakPolarHBondContact O-CD1 3.42Å; N1372-L1376 WeakPolarHBondContact O-CG 3.46Å; N1372-L1376 PolarHBondContact O-N 3.26Å; Q1374-L1376 VanDerWaalsContact C-N 3.26Å; Q1374-L1376 PolarHBondContact O-N 2.76Å; L1376-A1380 WeakPolarHBondContact O-CB 3.24Å; L1376-A1380 PolarHBondContact O-N 3.46Å
1377I49.7Very low46.9Very low10 Ų1060.5 Ų60.55%0.05136%0.355CS..Hα-helixtrans-67.1-44171.1-75.4166.3000110.8K1322 Y1373 Q1374 S1379 A1380 L1381K1322-I1377 HydrophobicContact CD-CD1 3.66Å; Y1373-I1377 HydrophobicContact CD1-CD1 3.93Å; Y1373-I1377 HydrophobicContact CD2-CD1 4.37Å; Y1373-I1377 HydrophobicContact CE1-CD1 3.51Å; Y1373-I1377 HydrophobicContact CE2-CD1 3.97Å; Y1373-I1377 HydrophobicContact CG-CD1 4.35Å; Y1373-I1377 WeakPolarHBondContact O-CD1 3.37Å; Y1373-I1377 WeakPolarHBondContact O-CG1 3.35Å; Y1373-I1377 PolarHBondContact O-N 2.59Å; Y1373-I1377 VanDerWaalsContact O-N 3.11Å; Q1374-I1377 PolarHBondContact O-N 3.42Å; Q1374-I1377 VanDerWaalsContact O-N 3.11Å; I1377-S1379 VanDerWaalsContact C-N 3.29Å; I1377-S1379 PolarHBondContact O-N 3.34Å; I1377-A1380 WeakPolarHBondContact O-CB 3.11Å; I1377-A1380 PolarHBondContact O-N 3.29Å; I1377-L1381 HydrophobicContact CG2-CD1 3.83Å; I1377-L1381 HydrophobicContact CG2-CG 4.41Å; I1377-L1381 WeakPolarHBondContact O-CB 3.36Å; I1377-L1381 VanDerWaalsContact O-CG 3.28Å; I1377-L1381 WeakPolarHBondContact O-CG 3.27Å; I1377-L1381 PolarHBondContact O-N 3.49Å
1378D57.5Low46.7Very low85 Ų8563.9 Ų63.946%0.45537%0.373SS..Hα-helixtrans-63-39178.2-58.6-25.9000110.9Q1374 A1382Q1374-D1378 PolarHBondContact NE2-OD1 2.76Å; Q1374-D1378 PolarHBondContact O-N 2.89Å; D1378-A1382 WeakPolarHBondContact O-CB 3.39Å; D1378-A1382 PolarHBondContact O-N 2.82Å; D1378-A1382 VanDerWaalsContact O-N 3.09Å
1379S50.7Low46.8Very low63 Ų6368.1 Ų68.144%0.44140%0.402SS..Hα-helixtrans-71.4-36.4174.1-570000113S1375 I1377 A1382 C1383S1375-S1379 VanDerWaalsContact O-CB 3.25Å; S1375-S1379 WeakPolarHBondContact O-CB 3.5Å; S1375-S1379 PolarHBondContact O-N 3.36Å; S1375-S1379 PolarHBondContact O-OG 3.02Å; I1377-S1379 VanDerWaalsContact C-N 3.29Å; I1377-S1379 PolarHBondContact O-N 3.34Å; S1379-A1382 PolarHBondContact O-N 2.82Å; S1379-C1383 WeakPolarHBondContact O-CB 3.29Å; S1379-C1383 PolarHBondContact O-N 3.14Å
1380A42.7Very low46.9Very low6 Ų673.6 Ų73.65%0.0542%0.423CS..Hα-helixtrans-64.7-45.5175.600000111.3C1315 L1376 I1377 C1383 S1384C1315-A1380 HydrophobicContact CB-CB 3.71Å; C1315-A1380 VanDerWaalsContact SG-CB 3.56Å; L1376-A1380 WeakPolarHBondContact O-CB 3.24Å; L1376-A1380 PolarHBondContact O-N 3.46Å; I1377-A1380 WeakPolarHBondContact O-CB 3.11Å; I1377-A1380 PolarHBondContact O-N 3.29Å; A1380-C1383 PolarHBondContact O-N 2.82Å; A1380-S1384 WeakPolarHBondContact O-CB 3.32Å; A1380-S1384 PolarHBondContact O-N 3.32Å; A1380-S1384 PolarHBondContact O-OG 3.48Å; A1380-S1384 VanDerWaalsContact O-OG 3.08Å
1381L46.2Very low47.1Very low92 Ų9271.6 Ų71.648%0.48241%0.413SS..Hα-helixtrans-61.8-44.6175.4-70.3166.7000111I1377 C1383 M1385I1377-L1381 HydrophobicContact CG2-CD1 3.83Å; I1377-L1381 HydrophobicContact CG2-CG 4.41Å; I1377-L1381 WeakPolarHBondContact O-CB 3.36Å; I1377-L1381 VanDerWaalsContact O-CG 3.28Å; I1377-L1381 WeakPolarHBondContact O-CG 3.27Å; I1377-L1381 PolarHBondContact O-N 3.49Å; L1381-C1383 PolarHBondContact O-N 3.47Å; L1381-M1385 WeakPolarHBondContact O-CB 3.29Å; L1381-M1385 WeakPolarHBondContact O-CG 3.43Å; L1381-M1385 PolarHBondContact O-N 3.25Å
1382A50.9Low47.4Very low62 Ų6269.9 Ų69.951%0.51240%0.396SS..Hα-helixtrans-60.3-42.7173.900000112.6D1378 S1379 S1386D1378-A1382 WeakPolarHBondContact O-CB 3.39Å; D1378-A1382 PolarHBondContact O-N 2.82Å; D1378-A1382 VanDerWaalsContact O-N 3.09Å; S1379-A1382 PolarHBondContact O-N 2.82Å; A1382-S1386 PolarHBondContact O-N 3.33Å; A1382-S1386 VanDerWaalsContact O-N 3.17Å
1383C39.7Very low47.5Very low46 Ų4672.9 Ų72.931%0.31142%0.417SS..Hα-helixtrans-65.9-51.7178.9-164.30000111.5S1379 A1380 L1381 M1385 S1386 Q1387S1379-C1383 WeakPolarHBondContact O-CB 3.29Å; S1379-C1383 PolarHBondContact O-N 3.14Å; A1380-C1383 PolarHBondContact O-N 2.82Å; L1381-C1383 PolarHBondContact O-N 3.47Å; C1383-M1385 PolarHBondContact O-N 3.41Å; C1383-S1386 PolarHBondContact O-N 2.91Å; C1383-S1386 VanDerWaalsContact O-N 3.07Å; C1383-S1386 PolarHBondContact O-OG 2.92Å; C1383-Q1387 PolarHBondContact O-N 2.87Å
1384S38.9Very low47.9Very low50 Ų5079.5 Ų79.535%0.3545%0.448SS..Hα-helixtrans-62.1-40.2-178.9-61.20000112.8A1380 S1386 Q1387 L1388A1380-S1384 WeakPolarHBondContact O-CB 3.32Å; A1380-S1384 PolarHBondContact O-N 3.32Å; A1380-S1384 PolarHBondContact O-OG 3.48Å; A1380-S1384 VanDerWaalsContact O-OG 3.08Å; S1384-S1386 VanDerWaalsContact C-N 3.33Å; S1384-S1386 PolarHBondContact O-N 2.98Å; S1384-Q1387 PolarHBondContact O-N 3.1Å; S1384-L1388 WeakPolarHBondContact O-CB 3.38Å; S1384-L1388 WeakPolarHBondContact O-CG 3.25Å; S1384-L1388 PolarHBondContact O-N 3.11Å
1385M41.6Very low47.8Very low135 Ų13579.7 Ų79.767%0.66545%0.452SS*.Hα-helixtrans-65.5-35.8173.9-68.6-154.6-47.100112.2L1381 C1383 S1389L1381-M1385 WeakPolarHBondContact O-CB 3.29Å; L1381-M1385 WeakPolarHBondContact O-CG 3.43Å; L1381-M1385 PolarHBondContact O-N 3.25Å; C1383-M1385 PolarHBondContact O-N 3.41Å; M1385-S1389 PolarHBondContact O-N 3.4Å
1386S49.4Very low47.4Very low54 Ų5480.6 Ų80.638%0.37845%0.451SS..Hα-helixtrans-66.4-42.817674.50000112.6A1382 C1383 S1384 S1389A1382-S1386 PolarHBondContact O-N 3.33Å; A1382-S1386 VanDerWaalsContact O-N 3.17Å; C1383-S1386 PolarHBondContact O-N 2.91Å; C1383-S1386 VanDerWaalsContact O-N 3.07Å; C1383-S1386 PolarHBondContact O-OG 2.92Å; S1384-S1386 VanDerWaalsContact C-N 3.33Å; S1384-S1386 PolarHBondContact O-N 2.98Å; S1386-S1389 PolarHBondContact O-N 3.5Å; S1386-S1389 PolarHBondContact O-OG 2.84Å
1387Q42.8Very low47.5Very low113 Ų11382.4 Ų82.453%0.52846%0.464SS..Hα-helixtrans-71.4-39.7179.6-68.7-170.3-30.100112.8C1383 S1384 S1389 Q1390C1383-Q1387 PolarHBondContact O-N 2.87Å; S1384-Q1387 PolarHBondContact O-N 3.1Å; Q1387-S1389 PolarHBondContact O-N 2.63Å; Q1387-Q1390 PolarHBondContact O-N 3.31Å
1388L43Very low47.5Very low132 Ų13289.4 Ų89.469%0.69150%0.497SS*.Hα-helixtrans-63.9-20.7175.4-75.9168.6000113.2S1384 Q1390S1384-L1388 WeakPolarHBondContact O-CB 3.38Å; S1384-L1388 WeakPolarHBondContact O-CG 3.25Å; S1384-L1388 PolarHBondContact O-N 3.11Å; L1388-Q1390 VanDerWaalsContact C-N 3.31Å
1389S48Very low46.8Very low90 Ų9093.3 Ų93.363%0.62951%0.505SS*.THydrogen-bonded Turntrans-79.2-5.3173.777.50000115M1385 S1386 Q1387M1385-S1389 PolarHBondContact O-N 3.4Å; S1386-S1389 PolarHBondContact O-N 3.5Å; S1386-S1389 PolarHBondContact O-OG 2.84Å; Q1387-S1389 PolarHBondContact O-N 2.63Å
1390Q47.7Very low46.6Very low159 Ų15992.7 Ų92.774%0.74350%0.499SS*.THydrogen-bonded Turntrans-118.6-10.8-170.7-66.1-176.710.200115.4Q1387 L1388Q1387-Q1390 PolarHBondContact O-N 3.31Å; L1388-Q1390 VanDerWaalsContact C-N 3.31Å
1391M43.4Very low46.7Very low88 Ų88100.1 Ų100.143%0.43353%0.532SS..  trans-71.9140.8175.3-70-172.968.300111.7D1395M1391-D1395 HydrophobicContact CE-CB 3.82Å
1392S52.8Low46.3Very low45 Ų4599.3 Ų99.332%0.31555%0.546SS..  trans-75.9162.6174.579.40000111.7E1394 D1395 L1396S1392-E1394 PolarHBondContact O-N 3.43Å; S1392-E1394 PolarHBondContact OG-N 2.79Å; S1392-D1395 WeakPolarHBondContact CB-OD2 3.07Å; S1392-D1395 PolarHBondContact N-OD2 3.47Å; S1392-D1395 PolarHBondContact O-N 2.87Å; S1392-D1395 PolarHBondContact OG-N 2.81Å; S1392-D1395 VanDerWaalsContact OG-N 3.08Å; S1392-D1395 PolarHBondContact OG-OD2 2.86Å; S1392-L1396 PolarHBondContact O-N 3.03Å
1393T50Low45.5Very low115 Ų11599.9 Ų99.971%0.70654%0.541SS*.Hα-helixtrans-62.4-24.7170.134.90000113.2T1397T1393-T1397 WeakPolarHBondContact O-CB 3.24Å; T1393-T1397 PolarHBondContact O-N 3.03Å; T1393-T1397 VanDerWaalsContact O-N 3.16Å; T1393-T1397 PolarHBondContact O-OG1 3.04Å
1394E53.1Low45.5Very low152 Ų152103.6 Ų103.671%0.7157%0.567SS**Hα-helixtrans-79.7-43.8-179.7-64.3179.5141.200110.5S1392 L1396 T1397 E1398S1392-E1394 PolarHBondContact O-N 3.43Å; S1392-E1394 PolarHBondContact OG-N 2.79Å; E1394-L1396 VanDerWaalsContact C-N 3.32Å; E1394-L1396 PolarHBondContact O-N 2.9Å; E1394-T1397 WeakPolarHBondContact O-CA 3.48Å; E1394-T1397 WeakPolarHBondContact O-CB 3.15Å; E1394-T1397 PolarHBondContact O-N 2.67Å; E1394-E1398 PolarHBondContact O-N 3.44Å
1395D52.2Low45.5Very low82 Ų82109.8 Ų109.844%0.43959%0.588SS.*Hα-helixtrans-57-45.5172.4-55-60.3000111.5M1391 S1392 T1397 W1399M1391-D1395 HydrophobicContact CE-CB 3.82Å; S1392-D1395 WeakPolarHBondContact CB-OD2 3.07Å; S1392-D1395 PolarHBondContact N-OD2 3.47Å; S1392-D1395 PolarHBondContact O-N 2.87Å; S1392-D1395 PolarHBondContact OG-N 2.81Å; S1392-D1395 VanDerWaalsContact OG-N 3.08Å; S1392-D1395 PolarHBondContact OG-OD2 2.86Å; D1395-T1397 PolarHBondContact O-N 3.17Å; D1395-W1399 WeakPolarHBondContact O-CB 3.35Å; D1395-W1399 PolarHBondContact O-N 2.91Å
1396L45.8Very low45.6Very low78 Ų78103.9 Ų103.941%0.40856%0.56SS.*Hα-helixtrans-61.4-33.3174.9-86.4162.5000112.2S1392 E1394 T1400S1392-L1396 PolarHBondContact O-N 3.03Å; E1394-L1396 VanDerWaalsContact C-N 3.32Å; E1394-L1396 PolarHBondContact O-N 2.9Å; L1396-T1400 WeakPolarHBondContact O-CG2 3.38Å; L1396-T1400 PolarHBondContact O-N 2.92Å
1397T51.7Low45.1Very low73 Ų73106 Ų10645%0.44857%0.567SS.*Hα-helixtrans-75-48.2179.5-57.90000111.1T1393 E1394 D1395 W1399 T1400 Q1401T1393-T1397 WeakPolarHBondContact O-CB 3.24Å; T1393-T1397 PolarHBondContact O-N 3.03Å; T1393-T1397 VanDerWaalsContact O-N 3.16Å; T1393-T1397 PolarHBondContact O-OG1 3.04Å; E1394-T1397 WeakPolarHBondContact O-CA 3.48Å; E1394-T1397 WeakPolarHBondContact O-CB 3.15Å; E1394-T1397 PolarHBondContact O-N 2.67Å; D1395-T1397 PolarHBondContact O-N 3.17Å; T1397-W1399 VanDerWaalsContact C-N 3.32Å; T1397-W1399 PolarHBondContact O-N 3.4Å; T1397-T1400 PolarHBondContact O-N 2.93Å; T1397-T1400 PolarHBondContact O-OG1 3Å; T1397-Q1401 PolarHBondContact O-N 3.45Å
1398E48.9Very low45.2Very low158 Ų158106.1 Ų106.174%0.73857%0.572SS**Hα-helixtrans-58.7-43.3175.7-77.6-155.8135.600111.9E1394 T1400 Q1401E1394-E1398 PolarHBondContact O-N 3.44Å; E1398-T1400 PolarHBondContact O-N 3.35Å; E1398-Q1401 PolarHBondContact O-N 3.24Å; E1398-Q1401 VanDerWaalsContact O-N 3.15Å
1399W42.9Very low45Very low167 Ų167109.8 Ų109.863%0.63358%0.577SS**Hα-helixtrans-59.6-34.2179.9-166.576.5000112.9D1395 T1397D1395-W1399 WeakPolarHBondContact O-CB 3.35Å; D1395-W1399 PolarHBondContact O-N 2.91Å; T1397-W1399 VanDerWaalsContact C-N 3.32Å; T1397-W1399 PolarHBondContact O-N 3.4Å
1400T46.1Very low45Very low50 Ų50108.6 Ų108.631%0.30757%0.565SS.*Hα-helixtrans-74.9-29.2177.659.90000114.3L1396 T1397 E1398 G1402 V1410L1396-T1400 WeakPolarHBondContact O-CG2 3.38Å; L1396-T1400 PolarHBondContact O-N 2.92Å; T1397-T1400 PolarHBondContact O-N 2.93Å; T1397-T1400 PolarHBondContact O-OG1 3Å; E1398-T1400 PolarHBondContact O-N 3.35Å; T1400-G1402 VanDerWaalsContact C-N 3.32Å; T1400-G1402 PolarHBondContact O-N 3.41Å; T1400-V1410 HydrophobicContact CG2-CG2 3.57Å
1401Q46Very low44.9Very low162 Ų162106.5 Ų106.576%0.75755%0.554SS**Hα-helixtrans-73.3-21.9-176.4-67.7-171.619.300113.7T1397 E1398T1397-Q1401 PolarHBondContact O-N 3.45Å; E1398-Q1401 PolarHBondContact O-N 3.24Å; E1398-Q1401 VanDerWaalsContact O-N 3.15Å
1402G36.9Very low45.2Very low75 Ų75106.5 Ų106.577%0.77356%0.555SS**THydrogen-bonded Turntrans-86.9-12.7-177.100000116.4T1400T1400-G1402 VanDerWaalsContact C-N 3.32Å; T1400-G1402 PolarHBondContact O-N 3.41Å
1403N35.5Very low44.7Very low74 Ų74108.4 Ų108.440%0.39656%0.562SS.*  trans-129.299.9-159.2-166.7-10.1000113.6K1405 A1406N1403-K1405 PolarHBondContact O-N 3.5Å; N1403-K1405 PolarHBondContact OD1-N 3.11Å; N1403-A1406 HydrophobicContact CB-CB 4.34Å; N1403-A1406 WeakPolarHBondContact O-CB 2.97Å; N1403-A1406 PolarHBondContact O-N 3.47Å
1404S38.3Very low44.4Very low123 Ų123106.7 Ų106.786%0.8655%0.552SS**THydrogen-bonded Turntrans-69.710.7-175.665.30000116.2
1405K39.4Very low44.2Very low180 Ų180105.6 Ų105.678%0.78355%0.547SS*.THydrogen-bonded Turntrans-105.3-16.5164.6-74-174.6174.9-177.60113.9N1403 D1407N1403-K1405 PolarHBondContact O-N 3.5Å; N1403-K1405 PolarHBondContact OD1-N 3.11Å; K1405-D1407 PolarHBondContact O-N 2.8Å
1406A43.3Very low44Very low11 Ų11105.1 Ų105.19%0.09155%0.547CS..Hα-helixtrans-65.6-23.6178.800000112.3N1403 N1408 W1409 V1410N1403-A1406 HydrophobicContact CB-CB 4.34Å; N1403-A1406 WeakPolarHBondContact O-CB 2.97Å; N1403-A1406 PolarHBondContact O-N 3.47Å; A1406-N1408 PolarHBondContact O-N 3.15Å; A1406-W1409 PolarHBondContact O-N 3.1Å; A1406-V1410 HydrophobicContact CB-CG2 4.3Å; A1406-V1410 WeakPolarHBondContact O-CG2 3.11Å; A1406-V1410 PolarHBondContact O-N 2.79Å
1407D38.3Very low44Very low99 Ų99108 Ų10853%0.52956%0.557SS.*Hα-helixtrans-63.6-10.7-172.3-160.743.8000114.8K1405 K1411K1405-D1407 PolarHBondContact O-N 2.8Å; D1407-K1411 WeakPolarHBondContact O-CD 3.13Å; D1407-K1411 WeakPolarHBondContact O-CG 3.31Å; D1407-K1411 PolarHBondContact O-NZ 2.89Å; D1407-K1411 IonicContact OD1-NZ 2.71Å; D1407-K1411 PolarHBondContact OD1-NZ 2.79Å; D1407-K1411 IonicContact OD2-NZ 2.66Å; D1407-K1411 PolarHBondContact OD2-NZ 2.78Å
1408N45.1Very low44.2Very low116 Ų116108 Ų10862%0.6256%0.556SS**Hα-helixtrans-95.3-42.9166.9-74.4-2.2000112.4A1406 V1410 K1411 D1412A1406-N1408 PolarHBondContact O-N 3.15Å; N1408-V1410 VanDerWaalsContact C-N 3.33Å; N1408-V1410 PolarHBondContact O-N 2.78Å; N1408-K1411 PolarHBondContact O-N 2.8Å; N1408-K1411 VanDerWaalsContact O-N 3.16Å; N1408-D1412 PolarHBondContact O-N 2.8Å
1409W40.2Very low44.1Very low209 Ų209105.1 Ų105.179%0.79255%0.546SS*.Hα-helixtrans-63.8-35.7177.7-89.838.7000113A1406 K1411 D1412 L1413A1406-W1409 PolarHBondContact O-N 3.1Å; W1409-K1411 VanDerWaalsContact C-N 3.26Å; W1409-K1411 PolarHBondContact O-N 2.87Å; W1409-D1412 PolarHBondContact O-N 2.78Å; W1409-L1413 PolarHBondContact O-N 2.92Å; W1409-L1413 VanDerWaalsContact O-N 3.12Å
1410V47.5Very low44.4Very low64 Ų64101.4 Ų101.439%0.38854%0.537SS..Hα-helixtrans-67.2-26.9176.7175.10000112T1400 A1406 N1408T1400-V1410 HydrophobicContact CG2-CG2 3.57Å; A1406-V1410 HydrophobicContact CB-CG2 4.3Å; A1406-V1410 WeakPolarHBondContact O-CG2 3.11Å; A1406-V1410 PolarHBondContact O-N 2.79Å; N1408-V1410 VanDerWaalsContact C-N 3.33Å; N1408-V1410 PolarHBondContact O-N 2.78Å
1411K45.7Very low44.8Very low115 Ų115105.5 Ų105.550%0.555%0.553SS.*Hα-helixtrans-78.3-31178.6-69.9-177.2-179.272.50112.9D1407 N1408 W1409 P1414D1407-K1411 WeakPolarHBondContact O-CD 3.13Å; D1407-K1411 WeakPolarHBondContact O-CG 3.31Å; D1407-K1411 PolarHBondContact O-NZ 2.89Å; D1407-K1411 IonicContact OD1-NZ 2.71Å; D1407-K1411 PolarHBondContact OD1-NZ 2.79Å; D1407-K1411 IonicContact OD2-NZ 2.66Å; D1407-K1411 PolarHBondContact OD2-NZ 2.78Å; N1408-K1411 PolarHBondContact O-N 2.8Å; N1408-K1411 VanDerWaalsContact O-N 3.16Å; W1409-K1411 VanDerWaalsContact C-N 3.26Å; W1409-K1411 PolarHBondContact O-N 2.87Å; K1411-P1414 WeakPolarHBondContact O-CD 3.1Å
1412D49.2Very low45.2Very low88 Ų88102.8 Ų102.847%0.47154%0.54SS..Hα-helixtrans-86.5-17.8176.3-64.4-27.1000113N1408 W1409 P1414 Q1415 V1416N1408-D1412 PolarHBondContact O-N 2.8Å; W1409-D1412 PolarHBondContact O-N 2.78Å; D1412-P1414 VanDerWaalsContact C-N 3.3Å; D1412-P1414 VanDerWaalsContact O-N 3.12Å; D1412-Q1415 PolarHBondContact O-N 2.82Å; D1412-V1416 PolarHBondContact O-N 2.94Å
1413L41.8Very low45.8Very low85 Ų85105.8 Ų105.845%0.44553%0.532SS..Hα-helixtrans-47.5-38.7-179.6-138.681.7000115.4W1409 K1417W1409-L1413 PolarHBondContact O-N 2.92Å; W1409-L1413 VanDerWaalsContact O-N 3.12Å; L1413-K1417 PolarHBondContact O-N 3.17Å
1414P45.4Very low46.5Very low79 Ų79108.1 Ų108.151%0.51354%0.54SS..Hα-helixtrans-65.6-43.9174-21.434.6000112.8K1411 D1412 V1416 K1417 T1418K1411-P1414 WeakPolarHBondContact O-CD 3.1Å; D1412-P1414 VanDerWaalsContact C-N 3.3Å; D1412-P1414 VanDerWaalsContact O-N 3.12Å; P1414-V1416 VanDerWaalsContact C-N 3.35Å; P1414-K1417 PolarHBondContact O-N 3.07Å; P1414-T1418 PolarHBondContact O-N 3.06Å; P1414-T1418 PolarHBondContact O-OG1 3.16Å
1415Q48Very low47.3Very low130 Ų130108 Ų10861%0.60753%0.526SS*.Hα-helixtrans-69-36178.6-61.2-171.819.400111.3D1412 T1418 L1419D1412-Q1415 PolarHBondContact O-N 2.82Å; Q1415-T1418 PolarHBondContact O-N 3.09Å; Q1415-L1419 WeakPolarHBondContact O-CB 3.33Å; Q1415-L1419 WeakPolarHBondContact O-CG 3.09Å; Q1415-L1419 PolarHBondContact O-N 3.06Å
1416V47.4Very low47.5Very low71 Ų71104.1 Ų104.143%0.4351%0.512SS..Hα-helixtrans-64.5-39.8172.5174.90000111D1412 P1414 L1419 I1420D1412-V1416 PolarHBondContact O-N 2.94Å; P1414-V1416 VanDerWaalsContact C-N 3.35Å; V1416-L1419 PolarHBondContact O-N 3.06Å; V1416-I1420 HydrophobicContact CG1-CD1 3.75Å; V1416-I1420 HydrophobicContact CG1-CG1 4.35Å; V1416-I1420 WeakPolarHBondContact O-CB 3.42Å; V1416-I1420 VanDerWaalsContact O-CG1 3.23Å; V1416-I1420 WeakPolarHBondContact O-CG1 3.35Å; V1416-I1420 PolarHBondContact O-N 2.98Å
1417K46.4Very low47.5Very low140 Ų140111.1 Ų111.161%0.60954%0.541SS*.Hα-helixtrans-62.4-42.6171.8-83.9-173173-177.30112.5L1413 P1414 I1420 Q1421L1413-K1417 PolarHBondContact O-N 3.17Å; P1414-K1417 PolarHBondContact O-N 3.07Å; K1417-I1420 PolarHBondContact O-N 3.01Å; K1417-Q1421 WeakPolarHBondContact O-CG 3.32Å; K1417-Q1421 PolarHBondContact O-N 3.16Å
1418T56.4Low48Very low72 Ų72110.8 Ų110.844%0.44255%0.546SS..Hα-helixtrans-62.5-47.8174.7-50.40000111.5P1414 Q1415 I1420 Q1421 E1422P1414-T1418 PolarHBondContact O-N 3.06Å; P1414-T1418 PolarHBondContact O-OG1 3.16Å; Q1415-T1418 PolarHBondContact O-N 3.09Å; T1418-I1420 VanDerWaalsContact C-N 3.31Å; T1418-I1420 PolarHBondContact O-N 2.81Å; T1418-Q1421 PolarHBondContact O-N 2.95Å; T1418-Q1421 VanDerWaalsContact O-N 3.17Å; T1418-E1422 WeakPolarHBondContact O-CG 3.3Å; T1418-E1422 PolarHBondContact O-N 2.86Å
1419L47Very low47.9Very low98 Ų98110.9 Ų110.951%0.51354%0.542SS..Hα-helixtrans-66.1-29.8179-79166.2000113.4Q1415 V1416 K1423Q1415-L1419 WeakPolarHBondContact O-CB 3.33Å; Q1415-L1419 WeakPolarHBondContact O-CG 3.09Å; Q1415-L1419 PolarHBondContact O-N 3.06Å; V1416-L1419 PolarHBondContact O-N 3.06Å; L1419-K1423 VanDerWaalsContact O-CB 3.3Å; L1419-K1423 WeakPolarHBondContact O-CB 3.28Å; L1419-K1423 PolarHBondContact O-N 3.5Å
1420I48.5Very low48.2Very low89 Ų89105.2 Ų105.246%0.45653%0.528SS..Hα-helixtrans-69.8-47.1170.7-72.7169.2000109.8V1416 K1417 T1418 E1422 K1423 E1424V1416-I1420 HydrophobicContact CG1-CD1 3.75Å; V1416-I1420 HydrophobicContact CG1-CG1 4.35Å; V1416-I1420 WeakPolarHBondContact O-CB 3.42Å; V1416-I1420 VanDerWaalsContact O-CG1 3.23Å; V1416-I1420 WeakPolarHBondContact O-CG1 3.35Å; V1416-I1420 PolarHBondContact O-N 2.98Å; K1417-I1420 PolarHBondContact O-N 3.01Å; T1418-I1420 VanDerWaalsContact C-N 3.31Å; T1418-I1420 PolarHBondContact O-N 2.81Å; I1420-E1422 VanDerWaalsContact C-N 3.34Å; I1420-E1422 PolarHBondContact O-N 2.93Å; I1420-K1423 CarbonylContact O-C 3.58Å; I1420-K1423 PolarHBondContact O-N 2.89Å; I1420-K1423 VanDerWaalsContact O-N 3.15Å; I1420-E1424 HydrophobicContact CG2-CG 4.24Å; I1420-E1424 WeakPolarHBondContact O-CB 3.47Å; I1420-E1424 WeakPolarHBondContact O-CG 3Å; I1420-E1424 PolarHBondContact O-N 3.03Å
1421Q54Low48Very low135 Ų135109 Ų10963%0.63154%0.539SS*.Hα-helixtrans-61.4-40176.3-73.4-179.4-26.800112.4K1417 T1418 H1425K1417-Q1421 WeakPolarHBondContact O-CG 3.32Å; K1417-Q1421 PolarHBondContact O-N 3.16Å; T1418-Q1421 PolarHBondContact O-N 2.95Å; T1418-Q1421 VanDerWaalsContact O-N 3.17Å; Q1421-H1425 VanDerWaalsContact O-CB 3.3Å; Q1421-H1425 WeakPolarHBondContact O-CB 3.34Å; Q1421-H1425 PolarHBondContact O-N 3.49Å
1422E55.7Low47.7Very low105 Ų105106.8 Ų106.849%0.49154%0.538SS..Hα-helixtrans-65.5-40.1173.1-72.3179161.500112.2T1418 I1420 M1426T1418-E1422 WeakPolarHBondContact O-CG 3.3Å; T1418-E1422 PolarHBondContact O-N 2.86Å; I1420-E1422 VanDerWaalsContact C-N 3.34Å; I1420-E1422 PolarHBondContact O-N 2.93Å; E1422-M1426 WeakPolarHBondContact O-CB 3.5Å; E1422-M1426 WeakPolarHBondContact O-CG 3.25Å; E1422-M1426 PolarHBondContact O-N 3.35Å
1423K48.4Very low47.3Very low139 Ų139107.1 Ų107.160%0.60454%0.539SS*.Hα-helixtrans-70.8-37.2175-87.8-173.1173178.20113.5L1419 I1420 M1426 F1427L1419-K1423 VanDerWaalsContact O-CB 3.3Å; L1419-K1423 WeakPolarHBondContact O-CB 3.28Å; L1419-K1423 PolarHBondContact O-N 3.5Å; I1420-K1423 CarbonylContact O-C 3.58Å; I1420-K1423 PolarHBondContact O-N 2.89Å; I1420-K1423 VanDerWaalsContact O-N 3.15Å; K1423-M1426 HydrophobicContact CG-CE 4.23Å; K1423-M1426 PolarHBondContact O-N 2.87Å; K1423-F1427 WeakPolarHBondContact O-CB 3.48Å; K1423-F1427 PolarHBondContact O-N 3.2Å
1424E50.3Low47.1Very low123 Ų123106.3 Ų106.358%0.57554%0.544SS*.Hα-helixtrans-66.3-41.1174.3-73.9-176.4139.100110.5I1420 M1426 F1427 S1428I1420-E1424 HydrophobicContact CG2-CG 4.24Å; I1420-E1424 WeakPolarHBondContact O-CB 3.47Å; I1420-E1424 WeakPolarHBondContact O-CG 3Å; I1420-E1424 PolarHBondContact O-N 3.03Å; E1424-M1426 PolarHBondContact O-N 3.47Å; E1424-F1427 PolarHBondContact O-N 3.35Å; E1424-S1428 WeakPolarHBondContact O-CB 3.49Å; E1424-S1428 PolarHBondContact O-N 3.35Å
1425H55.5Low47Very low120 Ų120108.6 Ų108.656%0.55655%0.548SS*.Hα-helixtrans-63.8-39.6173-161.2-47.8000112Q1421 Q1429Q1421-H1425 VanDerWaalsContact O-CB 3.3Å; Q1421-H1425 WeakPolarHBondContact O-CB 3.34Å; Q1421-H1425 PolarHBondContact O-N 3.49Å; H1425-Q1429 PolarHBondContact O-N 3.22Å
1426M44Very low46.8Very low99 Ų99109.6 Ų109.649%0.48855%0.553SS.*Hα-helixtrans-69-37.7172.8-81.3-168.5-76.400113.3E1422 K1423 E1424 Q1429 N1430E1422-M1426 WeakPolarHBondContact O-CB 3.5Å; E1422-M1426 WeakPolarHBondContact O-CG 3.25Å; E1422-M1426 PolarHBondContact O-N 3.35Å; K1423-M1426 HydrophobicContact CG-CE 4.23Å; K1423-M1426 PolarHBondContact O-N 2.87Å; E1424-M1426 PolarHBondContact O-N 3.47Å; M1426-Q1429 PolarHBondContact O-N 2.82Å; M1426-N1430 WeakPolarHBondContact O-CB 3.12Å; M1426-N1430 PolarHBondContact O-N 3.43Å; M1426-N1430 PolarHBondContact O-ND2 2.95Å
1427F43.7Very low46.3Very low158 Ų158111.2 Ų111.269%0.69356%0.559SS**Hα-helixtrans-69.8-37.4177-108.7-93.8000111.6K1423 E1424 Q1429 N1430 K1431K1423-F1427 WeakPolarHBondContact O-CB 3.48Å; K1423-F1427 PolarHBondContact O-N 3.2Å; E1424-F1427 PolarHBondContact O-N 3.35Å; F1427-Q1429 VanDerWaalsContact C-N 3.3Å; F1427-Q1429 PolarHBondContact O-N 2.84Å; F1427-N1430 PolarHBondContact O-N 3.24Å; F1427-K1431 WeakPolarHBondContact O-CB 3.33Å; F1427-K1431 PolarHBondContact O-N 3.02Å
1428S47.5Very low45.7Very low91 Ų91110.7 Ų110.764%0.63656%0.562SS**Hα-helixtrans-60.3-39.2173.4-163.70000111.9E1424E1424-S1428 WeakPolarHBondContact O-CB 3.49Å; E1424-S1428 PolarHBondContact O-N 3.35Å
1429Q43.3Very low44.8Very low118 Ų118112 Ų11255%0.55157%0.574SS**Hα-helixtrans-77-36.1175.3-72.2-177.8-21.500114.2H1425 M1426 F1427 K1431 S1432H1425-Q1429 PolarHBondContact O-N 3.22Å; M1426-Q1429 PolarHBondContact O-N 2.82Å; F1427-Q1429 VanDerWaalsContact C-N 3.3Å; F1427-Q1429 PolarHBondContact O-N 2.84Å; Q1429-K1431 VanDerWaalsContact C-N 3.35Å; Q1429-S1432 PolarHBondContact O-OG 3.13Å
1430N46.7Very low44.3Very low91 Ų91116.4 Ų116.449%0.48759%0.59SS.*Hα-helixtrans-75.7-22179.5-81.2-79.8000113.3M1426 F1427 S1432 L1433 A1434M1426-N1430 WeakPolarHBondContact O-CB 3.12Å; M1426-N1430 PolarHBondContact O-N 3.43Å; M1426-N1430 PolarHBondContact O-ND2 2.95Å; F1427-N1430 PolarHBondContact O-N 3.24Å; N1430-S1432 PolarHBondContact O-N 3.39Å; N1430-L1433 PolarHBondContact O-N 2.94Å; N1430-L1433 VanDerWaalsContact O-N 3.13Å; N1430-A1434 PolarHBondContact O-N 3.19Å
1431K42.4Very low43.7Very low144 Ų144118.8 Ų118.863%0.62660%0.597SS**Hα-helixtrans-58.6-46.7177.8-169.6172.2179.6-179.20112.2F1427 Q1429 L1433 A1434 E1435F1427-K1431 WeakPolarHBondContact O-CB 3.33Å; F1427-K1431 PolarHBondContact O-N 3.02Å; Q1429-K1431 VanDerWaalsContact C-N 3.35Å; K1431-L1433 VanDerWaalsContact C-N 3.3Å; K1431-L1433 PolarHBondContact O-N 3.35Å; K1431-A1434 PolarHBondContact O-N 3.09Å; K1431-E1435 WeakPolarHBondContact O-CG 3.27Å; K1431-E1435 PolarHBondContact O-N 3.45Å
1432S40.8Very low42.9Very low67 Ų67115.5 Ų115.547%0.46959%0.587SS.*Hα-helixtrans-70-23.217654.10000113.9Q1429 N1430Q1429-S1432 PolarHBondContact O-OG 3.13Å; N1430-S1432 PolarHBondContact O-N 3.39Å
1433L40Very low42.3Very low96 Ų96112.8 Ų112.850%0.50358%0.58SS.*Hα-helixtrans-82.3-30.5179.9-144.376.4000112.6N1430 K1431 N1437N1430-L1433 PolarHBondContact O-N 2.94Å; N1430-L1433 VanDerWaalsContact O-N 3.13Å; K1431-L1433 VanDerWaalsContact C-N 3.3Å; K1431-L1433 PolarHBondContact O-N 3.35Å; L1433-N1437 PolarHBondContact O-ND2 3.4Å
1434A38.9Very low41.9Very low67 Ų67113.1 Ų113.155%0.55459%0.587SS**Hα-helixtrans-70.1-36.5174.500000112.4N1430 K1431 Q1436 N1437N1430-A1434 PolarHBondContact O-N 3.19Å; K1431-A1434 PolarHBondContact O-N 3.09Å; A1434-Q1436 VanDerWaalsContact C-N 3.31Å; A1434-Q1436 PolarHBondContact O-N 3.04Å; A1434-N1437 PolarHBondContact O-N 2.96Å
1435E42.9Very low41.8Very low127 Ų127114 Ų11459%0.59359%0.591SS**Hα-helixtrans-67.6-27.9178.3-71.4169.7177.900112.7K1431 L1438K1431-E1435 WeakPolarHBondContact O-CG 3.27Å; K1431-E1435 PolarHBondContact O-N 3.45Å; E1435-L1438 WeakPolarHBondContact O-CD1 3.47Å
1436Q42.4Very low41.9Very low152 Ų152113.7 Ų113.771%0.7159%0.59SS**THydrogen-bonded Turntrans-83.9-12.5179.8-71.4-173.8-12.400115.2A1434A1434-Q1436 VanDerWaalsContact C-N 3.31Å; A1434-Q1436 PolarHBondContact O-N 3.04Å
1437N37.5Very low42.2Very low104 Ų104115 Ų11556%0.55659%0.589SS**THydrogen-bonded Turntrans-103.121-174.8-76.1-79.4000114.3L1433 A1434 S1439L1433-N1437 PolarHBondContact O-ND2 3.4Å; A1434-N1437 PolarHBondContact O-N 2.96Å; N1437-S1439 PolarHBondContact O-N 2.79Å; N1437-S1439 VanDerWaalsContact O-N 3.09Å
1438L33.5Very low42.7Very low129 Ų129115.4 Ų115.468%0.67559%0.586SS**THydrogen-bonded Turntrans-76.580.1165.3-76.986.5000111E1435E1435-L1438 WeakPolarHBondContact O-CD1 3.47Å
1439S37.3Very low43.7Very low99 Ų99115.5 Ų115.569%0.69258%0.58SS**THydrogen-bonded Turntrans-160.7-27.9166.754.80000115.7N1437N1437-S1439 PolarHBondContact O-N 2.79Å; N1437-S1439 VanDerWaalsContact O-N 3.09Å
1440K37.1Very low44.6Very low192 Ų192112.6 Ų112.684%0.83558%0.576SS**  trans-124.243.5-172.4-63.5-177.2-179.1178.60113.7
1441K35.6Very low44.7Very low139 Ų139113 Ų11360%0.60458%0.582SS**PPolyproline II helixtrans-87123.8168-73.1175.6-179.6168.90107.6
1442P37.9Very low45.6Very low65 Ų65109.9 Ų109.942%0.42257%0.571SS.*PPolyproline II helixtrans-57.4155.5179.119.8-30.1000111.1E1446 R1447P1442-E1446 WeakPolarHBondContact CA-OE2 3.4Å; P1442-E1446 HydrophobicContact CB-CB 3.82Å; P1442-E1446 WeakPolarHBondContact CB-OE2 3.31Å; P1442-R1447 HydrophobicContact CB-CG 4.39Å; P1442-R1447 HydrophobicContact CG-CG 3.96Å; P1442-R1447 WeakPolarHBondContact O-CD 3.5Å; P1442-R1447 WeakPolarHBondContact O-CG 3.5Å; P1442-R1447 PolarHBondContact O-NE 2.78Å
1443S42.7Very low47Very low49 Ų49108.4 Ų108.434%0.34356%0.563SS.*PPolyproline II helixtrans-57.6163.3-169.786.60000112.4E1445 E1446 R1447S1443-E1445 PolarHBondContact O-N 3.34Å; S1443-E1445 PolarHBondContact OG-N 2.81Å; S1443-E1446 PolarHBondContact N-OE2 3.32Å; S1443-E1446 PolarHBondContact O-N 2.73Å; S1443-E1446 WeakPolarHBondContact OG-CG 3.36Å; S1443-E1446 PolarHBondContact OG-N 2.83Å; S1443-R1447 VanDerWaalsContact O-CB 3.3Å; S1443-R1447 WeakPolarHBondContact O-CB 3.43Å; S1443-R1447 VanDerWaalsContact O-CG 3.31Å; S1443-R1447 WeakPolarHBondContact O-CG 3.43Å; S1443-R1447 PolarHBondContact O-N 2.86Å
1444L39.3Very low47.7Very low146 Ų146106.2 Ų106.276%0.76456%0.559SS**Hα-helixtrans-61.3-31.6178.2-147.1158.2000110.3R1448L1444-R1448 WeakPolarHBondContact O-CB 3.4Å; L1444-R1448 PolarHBondContact O-N 2.81Å
1445E48.5Very low48Very low141 Ų141109.2 Ų109.266%0.65956%0.557SS**Hα-helixtrans-73-50.3171.6-70.4164.2138.300112.3S1443 R1447 R1448 D1449S1443-E1445 PolarHBondContact O-N 3.34Å; S1443-E1445 PolarHBondContact OG-N 2.81Å; E1445-R1447 PolarHBondContact O-N 2.78Å; E1445-R1447 VanDerWaalsContact O-N 3.12Å; E1445-R1448 CarbonylContact O-C 3.34Å; E1445-R1448 VanDerWaalsContact O-CA 3.31Å; E1445-R1448 WeakPolarHBondContact O-CA 3.19Å; E1445-R1448 VanDerWaalsContact O-CB 3.27Å; E1445-R1448 WeakPolarHBondContact O-CB 3.47Å; E1445-R1448 PolarHBondContact O-N 2.67Å; E1445-D1449 WeakPolarHBondContact O-CB 3.44Å; E1445-D1449 VanDerWaalsContact O-CG 3.23Å; E1445-D1449 PolarHBondContact O-N 2.81Å
1446E57.9Low48.9Very low114 Ų114108.4 Ų108.453%0.53355%0.553SS.*Hα-helixtrans-59.8-29.5176.1-70.3174.8122.700112.7P1442 S1443 A1450P1442-E1446 WeakPolarHBondContact CA-OE2 3.4Å; P1442-E1446 HydrophobicContact CB-CB 3.82Å; P1442-E1446 WeakPolarHBondContact CB-OE2 3.31Å; S1443-E1446 PolarHBondContact N-OE2 3.32Å; S1443-E1446 PolarHBondContact O-N 2.73Å; S1443-E1446 WeakPolarHBondContact OG-CG 3.36Å; S1443-E1446 PolarHBondContact OG-N 2.83Å; E1446-A1450 VanDerWaalsContact O-CB 3.24Å; E1446-A1450 WeakPolarHBondContact O-CB 3.13Å; E1446-A1450 PolarHBondContact O-N 3.22Å
1447R50.4Low49.9Very low125 Ų125109.2 Ų109.247%0.47255%0.55SS..Hα-helixtrans-77.2-37.3171.7-73.1175.9160.6-136.5-18.7112P1442 S1443 E1445 D1449 V1451P1442-R1447 HydrophobicContact CB-CG 4.39Å; P1442-R1447 HydrophobicContact CG-CG 3.96Å; P1442-R1447 WeakPolarHBondContact O-CD 3.5Å; P1442-R1447 WeakPolarHBondContact O-CG 3.5Å; P1442-R1447 PolarHBondContact O-NE 2.78Å; S1443-R1447 VanDerWaalsContact O-CB 3.3Å; S1443-R1447 WeakPolarHBondContact O-CB 3.43Å; S1443-R1447 VanDerWaalsContact O-CG 3.31Å; S1443-R1447 WeakPolarHBondContact O-CG 3.43Å; S1443-R1447 PolarHBondContact O-N 2.86Å; E1445-R1447 PolarHBondContact O-N 2.78Å; E1445-R1447 VanDerWaalsContact O-N 3.12Å; R1447-D1449 PolarHBondContact O-N 3.49Å; R1447-V1451 VanDerWaalsContact O-CB 3.28Å; R1447-V1451 WeakPolarHBondContact O-CB 3.26Å; R1447-V1451 VanDerWaalsContact O-CG2 3.25Å; R1447-V1451 WeakPolarHBondContact O-CG2 3.28Å; R1447-V1451 PolarHBondContact O-N 2.9Å
1448R53.9Low50.7Low167 Ų167106.9 Ų106.963%0.6355%0.545SS*.Hα-helixtrans-62-36169.7-159.6174.4-175.4155.1-1.8110.3L1444 E1445 V1451 L1452L1444-R1448 WeakPolarHBondContact O-CB 3.4Å; L1444-R1448 PolarHBondContact O-N 2.81Å; E1445-R1448 CarbonylContact O-C 3.34Å; E1445-R1448 VanDerWaalsContact O-CA 3.31Å; E1445-R1448 WeakPolarHBondContact O-CA 3.19Å; E1445-R1448 VanDerWaalsContact O-CB 3.27Å; E1445-R1448 WeakPolarHBondContact O-CB 3.47Å; E1445-R1448 PolarHBondContact O-N 2.67Å; R1448-V1451 CarbonylContact O-C 3.6Å; R1448-L1452 HydrophobicContact CG-CD1 3.93Å; R1448-L1452 HydrophobicContact CG-CG 4.45Å; R1448-L1452 WeakPolarHBondContact O-CA 3.34Å; R1448-L1452 WeakPolarHBondContact O-CB 3.34Å; R1448-L1452 WeakPolarHBondContact O-CD1 3.43Å; R1448-L1452 WeakPolarHBondContact O-CG 3.37Å; R1448-L1452 PolarHBondContact O-N 2.71Å
1449D68.3Low51.6Low94 Ų94103.7 Ų103.750%0.50353%0.531SS..Hα-helixtrans-83.2-31-179.9-65.1-16.9000112.4E1445 R1447 A1453E1445-D1449 WeakPolarHBondContact O-CB 3.44Å; E1445-D1449 VanDerWaalsContact O-CG 3.23Å; E1445-D1449 PolarHBondContact O-N 2.81Å; R1447-D1449 PolarHBondContact O-N 3.49Å; D1449-A1453 WeakPolarHBondContact O-CA 3.32Å; D1449-A1453 WeakPolarHBondContact O-CB 3.18Å; D1449-A1453 PolarHBondContact O-N 3.38Å
1450A63Low52.7Low56 Ų56102.5 Ų102.546%0.46352%0.517SS..Hα-helixtrans-68.7-39.3167.900000111.2E1446 A1454E1446-A1450 VanDerWaalsContact O-CB 3.24Å; E1446-A1450 WeakPolarHBondContact O-CB 3.13Å; E1446-A1450 PolarHBondContact O-N 3.22Å; A1450-A1454 WeakPolarHBondContact O-CB 3.29Å; A1450-A1454 PolarHBondContact O-N 3.49Å
1451V48.8Very low53.8Low101 Ų10196.4 Ų96.461%0.61250%0.502SS*.Hα-helixtrans-76.7-35.5175.71730000111.6R1447 R1448 A1454 Y1455R1447-V1451 VanDerWaalsContact O-CB 3.28Å; R1447-V1451 WeakPolarHBondContact O-CB 3.26Å; R1447-V1451 VanDerWaalsContact O-CG2 3.25Å; R1447-V1451 WeakPolarHBondContact O-CG2 3.28Å; R1447-V1451 PolarHBondContact O-N 2.9Å; R1448-V1451 CarbonylContact O-C 3.6Å; V1451-A1454 PolarHBondContact O-N 2.91Å; V1451-Y1455 WeakPolarHBondContact O-CA 3.2Å; V1451-Y1455 WeakPolarHBondContact O-CB 3.36Å; V1451-Y1455 PolarHBondContact O-N 2.71Å
1452L62Low54.5Low77 Ų7796 Ų9640%0.40350%0.5SS..Hα-helixtrans-70.6-44.4172.2-79.7167.3000109.8R1448 A1454 Y1455 E1456R1448-L1452 HydrophobicContact CG-CD1 3.93Å; R1448-L1452 HydrophobicContact CG-CG 4.45Å; R1448-L1452 WeakPolarHBondContact O-CA 3.34Å; R1448-L1452 WeakPolarHBondContact O-CB 3.34Å; R1448-L1452 WeakPolarHBondContact O-CD1 3.43Å; R1448-L1452 WeakPolarHBondContact O-CG 3.37Å; R1448-L1452 PolarHBondContact O-N 2.71Å; L1452-A1454 VanDerWaalsContact C-N 3.25Å; L1452-A1454 PolarHBondContact O-N 3.11Å; L1452-Y1455 CarbonylContact O-C 2.9Å; L1452-Y1455 PolarHBondContact O-N 2.98Å; L1452-E1456 WeakPolarHBondContact O-CA 3.39Å; L1452-E1456 WeakPolarHBondContact O-CB 3.15Å; L1452-E1456 VanDerWaalsContact O-CG 3.29Å; L1452-E1456 WeakPolarHBondContact O-CG 3.5Å; L1452-E1456 PolarHBondContact O-N 2.76Å
1453A68.2Low55.5Low37 Ų3797.8 Ų97.831%0.30650%0.502SS..Hα-helixtrans-68.8-22.1172.800000112.4D1449 R1457D1449-A1453 WeakPolarHBondContact O-CA 3.32Å; D1449-A1453 WeakPolarHBondContact O-CB 3.18Å; D1449-A1453 PolarHBondContact O-N 3.38Å; A1453-R1457 WeakPolarHBondContact O-CB 3.46Å; A1453-R1457 WeakPolarHBondContact O-CG 3.47Å; A1453-R1457 PolarHBondContact O-N 2.68Å; A1453-R1457 PolarHBondContact O-NE 3.26Å
1454A56.4Low56.2Low50 Ų5098.6 Ų98.641%0.41351%0.505SS..Hα-helixtrans-79-39168.800000111.8A1450 V1451 L1452 R1457 A1458A1450-A1454 WeakPolarHBondContact O-CB 3.29Å; A1450-A1454 PolarHBondContact O-N 3.49Å; V1451-A1454 PolarHBondContact O-N 2.91Å; L1452-A1454 VanDerWaalsContact C-N 3.25Å; L1452-A1454 PolarHBondContact O-N 3.11Å; A1454-R1457 CarbonylContact O-C 3.57Å; A1454-R1457 PolarHBondContact O-N 2.97Å; A1454-A1458 VanDerWaalsContact O-CB 3.26Å; A1454-A1458 WeakPolarHBondContact O-CB 3.42Å; A1454-A1458 PolarHBondContact O-N 2.92Å
1455Y43.6Very low56.6Low129 Ų12999.1 Ų99.151%0.50650%0.498SS..Hα-helixtrans-72.5-36.3177-175.1-100000111.4V1451 L1452 A1458 V1459V1451-Y1455 WeakPolarHBondContact O-CA 3.2Å; V1451-Y1455 WeakPolarHBondContact O-CB 3.36Å; V1451-Y1455 PolarHBondContact O-N 2.71Å; L1452-Y1455 CarbonylContact O-C 2.9Å; L1452-Y1455 PolarHBondContact O-N 2.98Å; Y1455-A1458 CarbonylContact O-C 3.55Å; Y1455-A1458 PolarHBondContact O-N 3.02Å; Y1455-V1459 HydrophobicContact CD1-CG2 4Å; Y1455-V1459 HydrophobicContact CE1-CG2 3.73Å; Y1455-V1459 HydrophobicContact CE2-CG2 4.33Å; Y1455-V1459 HydrophobicContact CG-CG2 4.42Å; Y1455-V1459 WeakPolarHBondContact O-CA 3.17Å; Y1455-V1459 WeakPolarHBondContact O-CB 3.27Å; Y1455-V1459 WeakPolarHBondContact O-CG2 3.25Å; Y1455-V1459 PolarHBondContact O-N 2.88Å
1456E63.1Low56.8Low110 Ų11097.7 Ų97.751%0.51449%0.492SS..Hα-helixtrans-76.7-30.5169.2-71.9-170.3150.200111.4L1452 A1458 N1460L1452-E1456 WeakPolarHBondContact O-CA 3.39Å; L1452-E1456 WeakPolarHBondContact O-CB 3.15Å; L1452-E1456 VanDerWaalsContact O-CG 3.29Å; L1452-E1456 WeakPolarHBondContact O-CG 3.5Å; L1452-E1456 PolarHBondContact O-N 2.76Å; E1456-A1458 VanDerWaalsContact C-N 3.31Å; E1456-N1460 VanDerWaalsContact O-CA 3.31Å; E1456-N1460 WeakPolarHBondContact O-CA 3.28Å; E1456-N1460 WeakPolarHBondContact O-CB 3.41Å; E1456-N1460 VanDerWaalsContact O-CG 3.23Å; E1456-N1460 PolarHBondContact O-N 2.83Å; E1456-N1460 PolarHBondContact O-ND2 2.98Å; E1456-N1460 VanDerWaalsContact O-ND2 3.13Å
1457R63.7Low56.7Low169 Ų16996.5 Ų96.564%0.63849%0.486SS*.Hα-helixtrans-69.6-30.5165-82.3175.5-69.8177.5-1.9111.7A1453 A1454 A1461A1453-R1457 WeakPolarHBondContact O-CB 3.46Å; A1453-R1457 WeakPolarHBondContact O-CG 3.47Å; A1453-R1457 PolarHBondContact O-N 2.68Å; A1453-R1457 PolarHBondContact O-NE 3.26Å; A1454-R1457 CarbonylContact O-C 3.57Å; A1454-R1457 PolarHBondContact O-N 2.97Å; R1457-A1461 WeakPolarHBondContact O-CA 3.28Å; R1457-A1461 WeakPolarHBondContact O-CB 3.21Å; R1457-A1461 PolarHBondContact O-N 3.17Å
1458A52.7Low56.6Low56 Ų5696.9 Ų96.946%0.46349%0.491SS..Hα-helixtrans-78.9-37.5174.100000112.6A1454 Y1455 E1456 K1462A1454-A1458 VanDerWaalsContact O-CB 3.26Å; A1454-A1458 WeakPolarHBondContact O-CB 3.42Å; A1454-A1458 PolarHBondContact O-N 2.92Å; Y1455-A1458 CarbonylContact O-C 3.55Å; Y1455-A1458 PolarHBondContact O-N 3.02Å; E1456-A1458 VanDerWaalsContact C-N 3.31Å; A1458-K1462 WeakPolarHBondContact O-CB 3.41Å; A1458-K1462 PolarHBondContact O-N 3.43Å
1459V53.4Low56.4Low62 Ų6293.5 Ų93.538%0.37648%0.481SS..Hα-helixtrans-79.3-34.3177.6167.30000110.2Y1455 K1462 K1463Y1455-V1459 HydrophobicContact CD1-CG2 4Å; Y1455-V1459 HydrophobicContact CE1-CG2 3.73Å; Y1455-V1459 HydrophobicContact CE2-CG2 4.33Å; Y1455-V1459 HydrophobicContact CG-CG2 4.42Å; Y1455-V1459 WeakPolarHBondContact O-CA 3.17Å; Y1455-V1459 WeakPolarHBondContact O-CB 3.27Å; Y1455-V1459 WeakPolarHBondContact O-CG2 3.25Å; Y1455-V1459 PolarHBondContact O-N 2.88Å; V1459-K1462 CarbonylContact O-C 3.6Å; V1459-K1463 WeakPolarHBondContact O-CA 3.37Å; V1459-K1463 WeakPolarHBondContact O-CB 3.12Å; V1459-K1463 PolarHBondContact O-N 2.66Å
1460N60.5Low55.4Low74 Ų7490.2 Ų90.240%0.39647%0.467SS..Hα-helixtrans-77.5-34.5167-65.1-41.3000111.7E1456 K1462 K1463 T1464E1456-N1460 VanDerWaalsContact O-CA 3.31Å; E1456-N1460 WeakPolarHBondContact O-CA 3.28Å; E1456-N1460 WeakPolarHBondContact O-CB 3.41Å; E1456-N1460 VanDerWaalsContact O-CG 3.23Å; E1456-N1460 PolarHBondContact O-N 2.83Å; E1456-N1460 PolarHBondContact O-ND2 2.98Å; E1456-N1460 VanDerWaalsContact O-ND2 3.13Å; N1460-K1462 VanDerWaalsContact C-N 3.26Å; N1460-K1462 PolarHBondContact O-N 2.84Å; N1460-K1463 PolarHBondContact O-N 3Å; N1460-T1464 WeakPolarHBondContact O-CA 3.39Å; N1460-T1464 WeakPolarHBondContact O-CB 3.39Å; N1460-T1464 PolarHBondContact O-N 2.84Å; N1460-T1464 PolarHBondContact O-OG1 2.72Å
1461A59.3Low54.5Low64 Ų6492.7 Ų92.753%0.52947%0.469SS..Hα-helixtrans-62.1-37.5167.400000111.1R1457 Y1465R1457-A1461 WeakPolarHBondContact O-CA 3.28Å; R1457-A1461 WeakPolarHBondContact O-CB 3.21Å; R1457-A1461 PolarHBondContact O-N 3.17Å; A1461-Y1465 WeakPolarHBondContact O-CA 3.31Å; A1461-Y1465 WeakPolarHBondContact O-CB 3.35Å; A1461-Y1465 PolarHBondContact O-N 2.94Å
1462K50.4Low54Low130 Ų13091.9 Ų91.957%0.56546%0.461SS*.Hα-helixtrans-76.8-31.9175.1-171.5172.1-178.2178.10113A1458 V1459 N1460 M1466A1458-K1462 WeakPolarHBondContact O-CB 3.41Å; A1458-K1462 PolarHBondContact O-N 3.43Å; V1459-K1462 CarbonylContact O-C 3.6Å; N1460-K1462 VanDerWaalsContact C-N 3.26Å; N1460-K1462 PolarHBondContact O-N 2.84Å; K1462-M1466 HydrophobicContact CG-CG 4.36Å; K1462-M1466 WeakPolarHBondContact O-CB 3.04Å; K1462-M1466 WeakPolarHBondContact O-CG 2.97Å; K1462-M1466 PolarHBondContact O-N 3.36Å
1463K58.8Low52.9Low103 Ų10393.7 Ų93.745%0.44847%0.471SS..Hα-helixtrans-78-51.4177.8-178.8-172.2163.8-173.50108.9V1459 N1460 Y1465 M1466 E1467V1459-K1463 WeakPolarHBondContact O-CA 3.37Å; V1459-K1463 WeakPolarHBondContact O-CB 3.12Å; V1459-K1463 PolarHBondContact O-N 2.66Å; N1460-K1463 PolarHBondContact O-N 3Å; K1463-Y1465 PolarHBondContact O-N 2.77Å; K1463-M1466 CarbonylContact O-C 3.53Å; K1463-M1466 WeakPolarHBondContact O-CA 2.8Å; K1463-M1466 PolarHBondContact O-N 3.17Å; K1463-E1467 WeakPolarHBondContact CE-OE1 3.33Å; K1463-E1467 VanDerWaalsContact CE-OE2 3.29Å; K1463-E1467 WeakPolarHBondContact CE-OE2 3.36Å; K1463-E1467 HydrophobicContact CG-CG 4.09Å; K1463-E1467 WeakPolarHBondContact CG-OE2 3.24Å; K1463-E1467 IonicContact NZ-OE1 2.74Å; K1463-E1467 WeakPolarHBondContact O-CA 3.23Å; K1463-E1467 WeakPolarHBondContact O-CB 3.26Å; K1463-E1467 VanDerWaalsContact O-CG 3.3Å; K1463-E1467 WeakPolarHBondContact O-CG 3.29Å; K1463-E1467 PolarHBondContact O-N 3.11Å
1464T58.7Low51.6Low66 Ų66102.1 Ų102.141%0.40550%0.495SS..Hα-helixtrans-59.1-26.7165.3-53.30000113N1460 K1468N1460-T1464 WeakPolarHBondContact O-CA 3.39Å; N1460-T1464 WeakPolarHBondContact O-CB 3.39Å; N1460-T1464 PolarHBondContact O-N 2.84Å; N1460-T1464 PolarHBondContact O-OG1 2.72Å; T1464-K1468 HydrophobicContact CG2-CD 4.18Å; T1464-K1468 HydrophobicContact CG2-CG 4.11Å; T1464-K1468 WeakPolarHBondContact O-CA 3.28Å; T1464-K1468 WeakPolarHBondContact O-CB 3.43Å; T1464-K1468 VanDerWaalsContact O-CG 3.24Å; T1464-K1468 WeakPolarHBondContact O-CG 3.27Å; T1464-K1468 PolarHBondContact O-N 2.72Å
1465Y46.3Very low50.4Low157 Ų157108 Ų10862%0.61651%0.511SS*.Hα-helixtrans-73.7-40.6166.9176-98.1000112A1461 K1463 E1467 K1469A1461-Y1465 WeakPolarHBondContact O-CA 3.31Å; A1461-Y1465 WeakPolarHBondContact O-CB 3.35Å; A1461-Y1465 PolarHBondContact O-N 2.94Å; K1463-Y1465 PolarHBondContact O-N 2.77Å; Y1465-E1467 VanDerWaalsContact C-N 3.34Å; Y1465-K1469 WeakPolarHBondContact O-CA 3.44Å; Y1465-K1469 WeakPolarHBondContact O-CB 3.32Å; Y1465-K1469 PolarHBondContact O-N 2.66Å
1466M52.4Low50Low111 Ų111103.6 Ų103.655%0.54750%0.5SS..Hα-helixtrans-77.6-17.7177.1-69.2-82-72.400113.1K1462 K1463 A1470K1462-M1466 HydrophobicContact CG-CG 4.36Å; K1462-M1466 WeakPolarHBondContact O-CB 3.04Å; K1462-M1466 WeakPolarHBondContact O-CG 2.97Å; K1462-M1466 PolarHBondContact O-N 3.36Å; K1463-M1466 CarbonylContact O-C 3.53Å; K1463-M1466 WeakPolarHBondContact O-CA 2.8Å; K1463-M1466 PolarHBondContact O-N 3.17Å; M1466-A1470 WeakPolarHBondContact O-CB 3.42Å; M1466-A1470 PolarHBondContact O-N 2.77Å
1467E57.2Low48.6Very low88 Ų88105.3 Ų105.341%0.41151%0.512SS..Hα-helixtrans-95.7-42.4177-74.7177.5156.300109.2K1463 Y1465 K1469 A1470 E1471K1463-E1467 WeakPolarHBondContact CE-OE1 3.33Å; K1463-E1467 VanDerWaalsContact CE-OE2 3.29Å; K1463-E1467 WeakPolarHBondContact CE-OE2 3.36Å; K1463-E1467 HydrophobicContact CG-CG 4.09Å; K1463-E1467 WeakPolarHBondContact CG-OE2 3.24Å; K1463-E1467 IonicContact NZ-OE1 2.74Å; K1463-E1467 WeakPolarHBondContact O-CA 3.23Å; K1463-E1467 WeakPolarHBondContact O-CB 3.26Å; K1463-E1467 VanDerWaalsContact O-CG 3.3Å; K1463-E1467 WeakPolarHBondContact O-CG 3.29Å; K1463-E1467 PolarHBondContact O-N 3.11Å; Y1465-E1467 VanDerWaalsContact C-N 3.34Å; E1467-K1469 PolarHBondContact O-N 2.64Å; E1467-A1470 CarbonylContact O-C 3.58Å; E1467-A1470 PolarHBondContact O-N 3.01Å; E1467-A1470 VanDerWaalsContact O-N 3.12Å; E1467-E1471 WeakPolarHBondContact O-CA 3.26Å; E1467-E1471 WeakPolarHBondContact O-CB 3.37Å; E1467-E1471 WeakPolarHBondContact O-CG 3.47Å; E1467-E1471 PolarHBondContact O-N 2.75Å
1468K48Very low47.3Very low133 Ų133104 Ų10458%0.57851%0.513SS*.Hα-helixtrans-64.1-29.6162.6-72.3-172.3173.4-167.60111.9T1464 L1472T1464-K1468 HydrophobicContact CG2-CD 4.18Å; T1464-K1468 HydrophobicContact CG2-CG 4.11Å; T1464-K1468 WeakPolarHBondContact O-CA 3.28Å; T1464-K1468 WeakPolarHBondContact O-CB 3.43Å; T1464-K1468 VanDerWaalsContact O-CG 3.24Å; T1464-K1468 WeakPolarHBondContact O-CG 3.27Å; T1464-K1468 PolarHBondContact O-N 2.72Å; K1468-L1472 WeakPolarHBondContact O-CB 3.31Å; K1468-L1472 WeakPolarHBondContact O-CD1 3.27Å; K1468-L1472 PolarHBondContact O-N 3.09Å
1469K48.9Very low46.6Very low96 Ų96111 Ų11142%0.41753%0.528SS..Hα-helixtrans-73.8-38168.9-176.5172.2177.9178.50111.8Y1465 E1467 E1471 L1472 D1473Y1465-K1469 WeakPolarHBondContact O-CA 3.44Å; Y1465-K1469 WeakPolarHBondContact O-CB 3.32Å; Y1465-K1469 PolarHBondContact O-N 2.66Å; E1467-K1469 PolarHBondContact O-N 2.64Å; K1469-E1471 VanDerWaalsContact C-N 3.31Å; K1469-L1472 CarbonylContact O-C 3.45Å; K1469-L1472 VanDerWaalsContact O-CB 3.29Å; K1469-L1472 WeakPolarHBondContact O-CB 3.18Å; K1469-L1472 PolarHBondContact O-N 2.87Å; K1469-D1473 WeakPolarHBondContact CE-OD2 3.44Å; K1469-D1473 WeakPolarHBondContact O-CB 3.36Å; K1469-D1473 PolarHBondContact O-N 3.45Å
1470A48.5Very low45.7Very low25 Ų25111.8 Ų111.821%0.20754%0.536CS..Hα-helixtrans-77.6-13.5173.400000113.6M1466 E1467 R1474M1466-A1470 WeakPolarHBondContact O-CB 3.42Å; M1466-A1470 PolarHBondContact O-N 2.77Å; E1467-A1470 CarbonylContact O-C 3.58Å; E1467-A1470 PolarHBondContact O-N 3.01Å; E1467-A1470 VanDerWaalsContact O-N 3.12Å; A1470-R1474 WeakPolarHBondContact O-CB 3.49Å; A1470-R1474 VanDerWaalsContact O-CD 3.3Å; A1470-R1474 WeakPolarHBondContact O-CD 3.17Å; A1470-R1474 WeakPolarHBondContact O-CG 3.32Å; A1470-R1474 PolarHBondContact O-N 2.7Å
1471E44.4Very low44.6Very low108 Ų108111.2 Ų111.251%0.50553%0.533SS..Hα-helixtrans-87.7-28167.2-72.6170146.700109.7E1467 K1469 F1475 C1476E1467-E1471 WeakPolarHBondContact O-CA 3.26Å; E1467-E1471 WeakPolarHBondContact O-CB 3.37Å; E1467-E1471 WeakPolarHBondContact O-CG 3.47Å; E1467-E1471 PolarHBondContact O-N 2.75Å; K1469-E1471 VanDerWaalsContact C-N 3.31Å; E1471-F1475 HydrophobicContact CB-CB 4.33Å; E1471-F1475 CarbonylContact O-C 3.45Å; E1471-F1475 VanDerWaalsContact O-C 3.22Å; E1471-F1475 WeakPolarHBondContact O-CA 2.98Å; E1471-F1475 WeakPolarHBondContact O-CB 3.35Å; E1471-F1475 PolarHBondContact O-N 3.31Å; E1471-C1476 PolarHBondContact O-N 2.77Å
1472L37.3Very low43.6Very low84 Ų84111.9 Ų111.944%0.4453%0.527SS..Hα-helixtrans-60.5-59.9157.3-104.961.2000109.4K1468 K1469 R1474 C1476 L1481K1468-L1472 WeakPolarHBondContact O-CB 3.31Å; K1468-L1472 WeakPolarHBondContact O-CD1 3.27Å; K1468-L1472 PolarHBondContact O-N 3.09Å; K1469-L1472 CarbonylContact O-C 3.45Å; K1469-L1472 VanDerWaalsContact O-CB 3.29Å; K1469-L1472 WeakPolarHBondContact O-CB 3.18Å; K1469-L1472 PolarHBondContact O-N 2.87Å; L1472-R1474 PolarHBondContact O-N 3.42Å; L1472-C1476 VanDerWaalsContact O-CB 3.28Å; L1472-C1476 WeakPolarHBondContact O-CB 3.25Å; L1472-C1476 PolarHBondContact O-N 2.98Å; L1472-C1476 VanDerWaalsContact O-N 3.14Å; L1472-L1481 HydrophobicContact CD2-CD1 4.11Å; L1472-L1481 HydrophobicContact CG-CD1 4.04Å
1473D39.1Very low43.4Very low116 Ų116109.5 Ų109.562%0.6252%0.524SS*.Hα-helixtrans-71.90.8-174.8-55.1-23000114.1K1469K1469-D1473 WeakPolarHBondContact CE-OD2 3.44Å; K1469-D1473 WeakPolarHBondContact O-CB 3.36Å; K1469-D1473 PolarHBondContact O-N 3.45Å
1474R41Very low42.3Very low214 Ų214107.3 Ų107.381%0.80852%0.522SS*.Hα-helixtrans-140.3-8.2175.5-55.4169.6-176.4179.21.3115.9A1470 L1472A1470-R1474 WeakPolarHBondContact O-CB 3.49Å; A1470-R1474 VanDerWaalsContact O-CD 3.3Å; A1470-R1474 WeakPolarHBondContact O-CD 3.17Å; A1470-R1474 WeakPolarHBondContact O-CG 3.32Å; A1470-R1474 PolarHBondContact O-N 2.7Å; L1472-R1474 PolarHBondContact O-N 3.42Å
1475F30.8Very low41.6Very low172 Ų172107.9 Ų107.975%0.75452%0.522SS*.Hα-helixtrans-138.4-4.9-174-121.3-67.1000113.7E1471 D1477E1471-F1475 HydrophobicContact CB-CB 4.33Å; E1471-F1475 CarbonylContact O-C 3.45Å; E1471-F1475 VanDerWaalsContact O-C 3.22Å; E1471-F1475 WeakPolarHBondContact O-CA 2.98Å; E1471-F1475 WeakPolarHBondContact O-CB 3.35Å; E1471-F1475 PolarHBondContact O-N 3.31Å; F1475-D1477 PolarHBondContact O-N 3.02Å
1476C35.4Very low42Very low38 Ų38102.7 Ų102.726%0.25751%0.511SS..  trans-75.574.8166.6-82.20000111.5E1471 L1472 Q1478 L1481E1471-C1476 PolarHBondContact O-N 2.77Å; L1472-C1476 VanDerWaalsContact O-CB 3.28Å; L1472-C1476 WeakPolarHBondContact O-CB 3.25Å; L1472-C1476 PolarHBondContact O-N 2.98Å; L1472-C1476 VanDerWaalsContact O-N 3.14Å; C1476-Q1478 PolarHBondContact O-N 2.89Å; C1476-L1481 HydrophobicContact CB-CB 3.84Å; C1476-L1481 HydrophobicContact CB-CD2 4.11Å; C1476-L1481 HydrophobicContact CB-CG 4.4Å
1477D34.1Very low41.9Very low146 Ų146103.1 Ų103.178%0.78152%0.515SS*.  trans-46.7126.2151.8-130.7-23.9000108.5F1475 R1479 S1480F1475-D1477 PolarHBondContact O-N 3.02Å; D1477-R1479 PolarHBondContact O-N 2.95Å; D1477-S1480 PolarHBondContact O-N 2.98Å
1478Q36.7Very low41.2Very low141 Ų141105 Ų10566%0.65953%0.527SS*.Hα-helixtrans-40.7-52.7-157.2-14488.126.300112.7C1476 S1480 L1481 D1482C1476-Q1478 PolarHBondContact O-N 2.89Å; Q1478-S1480 VanDerWaalsContact C-N 3.32Å; Q1478-S1480 PolarHBondContact O-N 3.18Å; Q1478-S1480 VanDerWaalsContact O-N 3.07Å; Q1478-L1481 PolarHBondContact O-N 3.46Å; Q1478-L1481 VanDerWaalsContact O-N 3.12Å; Q1478-D1482 VanDerWaalsContact C-CG 3.45Å; Q1478-D1482 WeakPolarHBondContact CB-OD2 3.46Å; Q1478-D1482 WeakPolarHBondContact CG-OD2 3.05Å; Q1478-D1482 WeakPolarHBondContact O-CB 3.4Å; Q1478-D1482 PolarHBondContact O-N 2.73Å
1479R36.3Very low41.4Very low203 Ų203103.9 Ų103.977%0.76652%0.524SS*.Hα-helixtrans-53.6-32.8-170.7-71.9-178.5172.9-179.5-3116.6D1477 D1482 T1483D1477-R1479 PolarHBondContact O-N 2.95Å; R1479-D1482 PolarHBondContact N-OD2 3.44Å; R1479-T1483 VanDerWaalsContact O-CB 3.31Å; R1479-T1483 WeakPolarHBondContact O-CB 3.17Å; R1479-T1483 PolarHBondContact O-N 2.91Å; R1479-T1483 PolarHBondContact O-OG1 3.11Å
1480S34.8Very low41.8Very low78 Ų78101.8 Ų101.855%0.54553%0.525SS..Hα-helixtrans-83-35.6-178.4-168.70000112.3D1477 Q1478 T1483 S1484D1477-S1480 PolarHBondContact O-N 2.98Å; Q1478-S1480 VanDerWaalsContact C-N 3.32Å; Q1478-S1480 PolarHBondContact O-N 3.18Å; Q1478-S1480 VanDerWaalsContact O-N 3.07Å; S1480-T1483 PolarHBondContact O-N 3.36Å; S1480-S1484 WeakPolarHBondContact O-CB 3.14Å; S1480-S1484 PolarHBondContact O-N 3.1Å; S1480-S1484 PolarHBondContact O-OG 3.39Å
1481L36.9Very low41.6Very low63 Ų63103 Ų10333%0.3353%0.534SS..Hα-helixtrans-72.6-37.8169.7-162.567.1000110.3L1472 C1476 Q1478 T1483 S1484 L1485L1472-L1481 HydrophobicContact CD2-CD1 4.11Å; L1472-L1481 HydrophobicContact CG-CD1 4.04Å; C1476-L1481 HydrophobicContact CB-CB 3.84Å; C1476-L1481 HydrophobicContact CB-CD2 4.11Å; C1476-L1481 HydrophobicContact CB-CG 4.4Å; Q1478-L1481 PolarHBondContact O-N 3.46Å; Q1478-L1481 VanDerWaalsContact O-N 3.12Å; L1481-T1483 PolarHBondContact O-N 2.87Å; L1481-S1484 PolarHBondContact O-N 2.81Å; L1481-L1485 HydrophobicContact CD1-CD1 4.21Å; L1481-L1485 HydrophobicContact CG-CD1 3.96Å; L1481-L1485 WeakPolarHBondContact O-CB 3.2Å; L1481-L1485 WeakPolarHBondContact O-CD1 3.48Å; L1481-L1485 PolarHBondContact O-N 3.03Å
1482D40.3Very low41.8Very low77 Ų77100 Ų10041%0.41253%0.528SS..Hα-helixtrans-61.4-29.9168.6-60.8-26.2000111.7Q1478 R1479 A1486Q1478-D1482 VanDerWaalsContact C-CG 3.45Å; Q1478-D1482 WeakPolarHBondContact CB-OD2 3.46Å; Q1478-D1482 WeakPolarHBondContact CG-OD2 3.05Å; Q1478-D1482 WeakPolarHBondContact O-CB 3.4Å; Q1478-D1482 PolarHBondContact O-N 2.73Å; R1479-D1482 PolarHBondContact N-OD2 3.44Å; D1482-A1486 WeakPolarHBondContact O-CA 3.36Å; D1482-A1486 WeakPolarHBondContact O-CB 3.48Å; D1482-A1486 PolarHBondContact O-N 3.22Å
1483T45.5Very low42.7Very low80 Ų8098.3 Ų98.349%0.49153%0.527SS..Hα-helixtrans-79.7-33.4175.2-59.40000111.3R1479 S1480 L1481 L1487R1479-T1483 VanDerWaalsContact O-CB 3.31Å; R1479-T1483 WeakPolarHBondContact O-CB 3.17Å; R1479-T1483 PolarHBondContact O-N 2.91Å; R1479-T1483 PolarHBondContact O-OG1 3.11Å; S1480-T1483 PolarHBondContact O-N 3.36Å; L1481-T1483 PolarHBondContact O-N 2.87Å; T1483-L1487 HydrophobicContact CG2-CD1 4.24Å; T1483-L1487 VanDerWaalsContact O-CB 3.31Å; T1483-L1487 WeakPolarHBondContact O-CB 3.41Å; T1483-L1487 VanDerWaalsContact O-CG 3.25Å; T1483-L1487 WeakPolarHBondContact O-CG 3.42Å; T1483-L1487 PolarHBondContact O-N 2.72Å
1484S35.3Very low43.5Very low58 Ų5898.6 Ų98.641%0.40652%0.524SS..Hα-helixtrans-80.3-34.4178.4-56.40000112.2S1480 L1481 L1488S1480-S1484 WeakPolarHBondContact O-CB 3.14Å; S1480-S1484 PolarHBondContact O-N 3.1Å; S1480-S1484 PolarHBondContact O-OG 3.39Å; L1481-S1484 PolarHBondContact O-N 2.81Å; S1484-L1488 WeakPolarHBondContact O-CB 3.46Å; S1484-L1488 PolarHBondContact O-N 3.34Å; S1484-L1488 VanDerWaalsContact O-N 3.09Å
1485L44.6Very low43.9Very low77 Ų7790.1 Ų90.140%0.40350%0.5SS..Hα-helixtrans-65.7-53.8161-95.378000108.8L1481 L1487 L1488 E1489L1481-L1485 HydrophobicContact CD1-CD1 4.21Å; L1481-L1485 HydrophobicContact CG-CD1 3.96Å; L1481-L1485 WeakPolarHBondContact O-CB 3.2Å; L1481-L1485 WeakPolarHBondContact O-CD1 3.48Å; L1481-L1485 PolarHBondContact O-N 3.03Å; L1485-L1487 PolarHBondContact O-N 2.87Å; L1485-L1488 CarbonylContact O-C 3.34Å; L1485-L1488 WeakPolarHBondContact O-CA 3.16Å; L1485-L1488 PolarHBondContact O-N 2.89Å; L1485-E1489 HydrophobicContact CB-CG 4.4Å; L1485-E1489 WeakPolarHBondContact O-CA 3.28Å; L1485-E1489 WeakPolarHBondContact O-CB 3.3Å; L1485-E1489 VanDerWaalsContact O-CG 3.3Å; L1485-E1489 WeakPolarHBondContact O-CG 3.29Å; L1485-E1489 PolarHBondContact O-N 2.87Å
1486A55.3Low45Very low49 Ų4983.4 Ų83.441%0.40547%0.471SS..Hα-helixtrans-59.4-20.4178.300000114.1D1482 A1490D1482-A1486 WeakPolarHBondContact O-CA 3.36Å; D1482-A1486 WeakPolarHBondContact O-CB 3.48Å; D1482-A1486 PolarHBondContact O-N 3.22Å; A1486-A1490 WeakPolarHBondContact O-CA 3.48Å; A1486-A1490 WeakPolarHBondContact O-CB 3.46Å; A1486-A1490 PolarHBondContact O-N 3.06Å
1487L49Very low46.1Very low119 Ų11987.6 Ų87.662%0.62349%0.487SS*.Hα-helixtrans-83.8-30.6169.2-78.8168.1000113.6T1483 L1485 A1491T1483-L1487 HydrophobicContact CG2-CD1 4.24Å; T1483-L1487 VanDerWaalsContact O-CB 3.31Å; T1483-L1487 WeakPolarHBondContact O-CB 3.41Å; T1483-L1487 VanDerWaalsContact O-CG 3.25Å; T1483-L1487 WeakPolarHBondContact O-CG 3.42Å; T1483-L1487 PolarHBondContact O-N 2.72Å; L1485-L1487 PolarHBondContact O-N 2.87Å; L1487-A1491 WeakPolarHBondContact O-CB 3.28Å; L1487-A1491 PolarHBondContact O-N 2.9Å
1488L42.9Very low47.3Very low127 Ų12784.6 Ų84.667%0.66547%0.471SS*.Hα-helixtrans-81.3-29.8172.1-84.6162.6000113S1484 L1485 A1492S1484-L1488 WeakPolarHBondContact O-CB 3.46Å; S1484-L1488 PolarHBondContact O-N 3.34Å; S1484-L1488 VanDerWaalsContact O-N 3.09Å; L1485-L1488 CarbonylContact O-C 3.34Å; L1485-L1488 WeakPolarHBondContact O-CA 3.16Å; L1485-L1488 PolarHBondContact O-N 2.89Å; L1488-A1492 WeakPolarHBondContact O-CB 3.31Å; L1488-A1492 PolarHBondContact O-N 3.1Å
1489E52.4Low48.2Very low111 Ų11178.7 Ų78.752%0.51945%0.445SS..Hα-helixtrans-82.6-33.8173.3-66.3175.6153.400110L1485 A1493L1485-E1489 HydrophobicContact CB-CG 4.4Å; L1485-E1489 WeakPolarHBondContact O-CA 3.28Å; L1485-E1489 WeakPolarHBondContact O-CB 3.3Å; L1485-E1489 VanDerWaalsContact O-CG 3.3Å; L1485-E1489 WeakPolarHBondContact O-CG 3.29Å; L1485-E1489 PolarHBondContact O-N 2.87Å; E1489-A1493 WeakPolarHBondContact O-CA 3.15Å; E1489-A1493 WeakPolarHBondContact O-CB 3.28Å; E1489-A1493 PolarHBondContact O-N 3.13Å
1490A58.2Low49.4Very low51 Ų5173.8 Ų73.842%0.42143%0.431SS..Hα-helixtrans-69.8-40.7163.600000111A1486 A1492 A1493 E1494A1486-A1490 WeakPolarHBondContact O-CA 3.48Å; A1486-A1490 WeakPolarHBondContact O-CB 3.46Å; A1486-A1490 PolarHBondContact O-N 3.06Å; A1490-A1492 VanDerWaalsContact C-N 3.27Å; A1490-A1492 PolarHBondContact O-N 3.24Å; A1490-A1493 PolarHBondContact O-N 3.07Å; A1490-E1494 WeakPolarHBondContact O-CA 3.37Å; A1490-E1494 WeakPolarHBondContact O-CB 3.26Å; A1490-E1494 PolarHBondContact O-N 2.93Å
1491A43.8Very low51Low50 Ų5073.4 Ų73.441%0.41343%0.425SS..Hα-helixtrans-67.5-28.3173.700000112.7L1487 A1495L1487-A1491 WeakPolarHBondContact O-CB 3.28Å; L1487-A1491 PolarHBondContact O-N 2.9Å; A1491-A1495 WeakPolarHBondContact O-CB 3.33Å; A1491-A1495 PolarHBondContact O-N 2.77Å
1492A47.9Very low52.5Low46 Ų4671.8 Ų71.838%0.3842%0.417SS..Hα-helixtrans-80.5-33.9172.700000112.6L1488 A1490 A1495 E1496L1488-A1492 WeakPolarHBondContact O-CB 3.31Å; L1488-A1492 PolarHBondContact O-N 3.1Å; A1490-A1492 VanDerWaalsContact C-N 3.27Å; A1490-A1492 PolarHBondContact O-N 3.24Å; A1492-A1495 CarbonylContact O-C 3.5Å; A1492-A1495 PolarHBondContact O-N 3.2Å; A1492-E1496 WeakPolarHBondContact O-CB 3.19Å; A1492-E1496 WeakPolarHBondContact O-CG 3.47Å; A1492-E1496 PolarHBondContact O-N 2.75Å
1493A56.8Low53.6Low49 Ų4968.5 Ų68.541%0.40540%0.4SS..Hα-helixtrans-76.1-35.2174.600000111.5E1489 A1490 A1495 E1496 E1497E1489-A1493 WeakPolarHBondContact O-CA 3.15Å; E1489-A1493 WeakPolarHBondContact O-CB 3.28Å; E1489-A1493 PolarHBondContact O-N 3.13Å; A1490-A1493 PolarHBondContact O-N 3.07Å; A1493-A1495 VanDerWaalsContact C-N 3.3Å; A1493-E1496 PolarHBondContact O-N 3.49Å; A1493-E1497 WeakPolarHBondContact O-CA 3.18Å; A1493-E1497 WeakPolarHBondContact O-CB 3.2Å; A1493-E1497 PolarHBondContact O-N 3.3Å
1494E54.7Low54.6Low121 Ų12168.8 Ų68.857%0.56540%0.399SS*.Hα-helixtrans-67.8-32.4168.8-177.4-179.6-137.600110A1490 N1498A1490-E1494 WeakPolarHBondContact O-CA 3.37Å; A1490-E1494 WeakPolarHBondContact O-CB 3.26Å; A1490-E1494 PolarHBondContact O-N 2.93Å; E1494-N1498 WeakPolarHBondContact CG-ND2 3.24Å; E1494-N1498 WeakPolarHBondContact O-CB 3.17Å; E1494-N1498 PolarHBondContact O-N 2.95Å; E1494-N1498 PolarHBondContact O-ND2 3.16Å
1495A50.9Low56.4Low37 Ų3768.4 Ų68.431%0.30639%0.392SS..Hα-helixtrans-74.1-39.317000000113A1491 A1492 A1493 S1499A1491-A1495 WeakPolarHBondContact O-CB 3.33Å; A1491-A1495 PolarHBondContact O-N 2.77Å; A1492-A1495 CarbonylContact O-C 3.5Å; A1492-A1495 PolarHBondContact O-N 3.2Å; A1493-A1495 VanDerWaalsContact C-N 3.3Å; A1495-S1499 WeakPolarHBondContact O-CB 3.2Å; A1495-S1499 PolarHBondContact O-N 3.16Å; A1495-S1499 PolarHBondContact O-OG 3.47Å
1496E53Low57.6Low30 Ų3065 Ų6514%0.1437%0.374CS..Hα-helixtrans-63.1-52.7171.4-79.6-168166.200109.8A1492 A1493 S1499 E1500 C1534 K1536 I1540A1492-E1496 WeakPolarHBondContact O-CB 3.19Å; A1492-E1496 WeakPolarHBondContact O-CG 3.47Å; A1492-E1496 PolarHBondContact O-N 2.75Å; A1493-E1496 PolarHBondContact O-N 3.49Å; E1496-S1499 WeakPolarHBondContact CA-OG 3.28Å; E1496-S1499 CarbonylContact O-C 3.58Å; E1496-S1499 WeakPolarHBondContact O-CA 3.4Å; E1496-S1499 PolarHBondContact O-N 3.36Å; E1496-S1499 PolarHBondContact O-OG 2.7Å; E1496-E1500 WeakPolarHBondContact O-CB 3.43Å; E1496-E1500 PolarHBondContact O-N 3.48Å; E1496-C1534 PolarHBondContact OE1-SG 2.84Å; E1496-C1534 VanDerWaalsContact OE1-SG 3.39Å; E1496-K1536 VanDerWaalsContact OE1-CB 3.29Å; E1496-K1536 WeakPolarHBondContact OE1-CB 3.34Å; E1496-K1536 IonicContact OE1-NZ 3.18Å; E1496-K1536 IonicContact OE2-NZ 3.23Å; E1496-K1536 PolarHBondContact OE2-NZ 2.8Å; E1496-I1540 HydrophobicContact CB-CD1 4.34Å; E1496-I1540 HydrophobicContact CG-CD1 4.18Å
1497E58.8Low57.8Low126 Ų12666.5 Ų66.559%0.58938%0.375SS*.Hα-helixtrans-60.7-44.5178.7-174.8172-15100111.9A1493 S1499 E1500 V1501A1493-E1497 WeakPolarHBondContact O-CA 3.18Å; A1493-E1497 WeakPolarHBondContact O-CB 3.2Å; A1493-E1497 PolarHBondContact O-N 3.3Å; E1497-S1499 PolarHBondContact O-N 2.55Å; E1497-E1500 CarbonylContact O-C 3.43Å; E1497-E1500 PolarHBondContact O-N 2.74Å; E1497-V1501 HydrophobicContact CG-CG2 4.42Å; E1497-V1501 VanDerWaalsContact O-CB 3.25Å; E1497-V1501 WeakPolarHBondContact O-CB 3.2Å; E1497-V1501 WeakPolarHBondContact O-CG2 3.44Å; E1497-V1501 PolarHBondContact O-N 3.06Å
1498N59.5Low58.9Low84 Ų8464.5 Ų64.545%0.44937%0.371SS..Hα-helixtrans-66-36.6172.1-82.4-82.1000111.9E1494 E1500 I1502E1494-N1498 WeakPolarHBondContact CG-ND2 3.24Å; E1494-N1498 WeakPolarHBondContact O-CB 3.17Å; E1494-N1498 PolarHBondContact O-N 2.95Å; E1494-N1498 PolarHBondContact O-ND2 3.16Å; N1498-E1500 VanDerWaalsContact C-N 3.34Å; N1498-I1502 VanDerWaalsContact O-CB 3.31Å; N1498-I1502 WeakPolarHBondContact O-CB 3.45Å; N1498-I1502 WeakPolarHBondContact O-CD1 3.4Å; N1498-I1502 WeakPolarHBondContact O-CG1 3.49Å; N1498-I1502 PolarHBondContact O-N 3.44Å
1499S54.9Low60Low16 Ų1660.8 Ų60.811%0.11236%0.363CS..Hα-helixtrans-70.2-32.1175.876.30000112.8A1495 E1496 E1497 A1503A1495-S1499 WeakPolarHBondContact O-CB 3.2Å; A1495-S1499 PolarHBondContact O-N 3.16Å; A1495-S1499 PolarHBondContact O-OG 3.47Å; E1496-S1499 WeakPolarHBondContact CA-OG 3.28Å; E1496-S1499 CarbonylContact O-C 3.58Å; E1496-S1499 WeakPolarHBondContact O-CA 3.4Å; E1496-S1499 PolarHBondContact O-N 3.36Å; E1496-S1499 PolarHBondContact O-OG 2.7Å; E1497-S1499 PolarHBondContact O-N 2.55Å; S1499-A1503 WeakPolarHBondContact O-CB 3.28Å; S1499-A1503 PolarHBondContact O-N 3.42Å
1500E61Low61.1Low100 Ų10058.9 Ų58.947%0.46736%0.362SS..Hα-helixtrans-79.9-33.3177.9-175.5163.4-136.700110.8E1496 E1497 N1498 N1504E1496-E1500 WeakPolarHBondContact O-CB 3.43Å; E1496-E1500 PolarHBondContact O-N 3.48Å; E1497-E1500 CarbonylContact O-C 3.43Å; E1497-E1500 PolarHBondContact O-N 2.74Å; N1498-E1500 VanDerWaalsContact C-N 3.34Å; E1500-N1504 WeakPolarHBondContact CG-ND2 3.27Å; E1500-N1504 WeakPolarHBondContact O-CA 3.32Å; E1500-N1504 WeakPolarHBondContact O-CB 3.44Å; E1500-N1504 PolarHBondContact O-N 2.84Å; E1500-N1504 PolarHBondContact O-ND2 2.9Å
1501V69Low61.8Low70 Ų7057.1 Ų57.142%0.42435%0.345SS..Hα-helixtrans-68.1-47.4167.9167.40000110.4E1497 A1503 N1504 D1505E1497-V1501 HydrophobicContact CG-CG2 4.42Å; E1497-V1501 VanDerWaalsContact O-CB 3.25Å; E1497-V1501 WeakPolarHBondContact O-CB 3.2Å; E1497-V1501 WeakPolarHBondContact O-CG2 3.44Å; E1497-V1501 PolarHBondContact O-N 3.06Å; V1501-A1503 VanDerWaalsContact C-N 3.27Å; V1501-A1503 PolarHBondContact O-N 3.46Å; V1501-N1504 CarbonylContact O-C 3.52Å; V1501-N1504 PolarHBondContact O-N 2.69Å; V1501-N1504 VanDerWaalsContact O-N 3.15Å; V1501-D1505 WeakPolarHBondContact O-CB 3.4Å; V1501-D1505 PolarHBondContact O-N 3.39Å
1502I67.9Low63.3Low30 Ų3056.7 Ų56.715%0.15434%0.339CS..Hα-helixtrans-62.5-36.5175.2-68.7162.9000110.8N1498 F1506 I1511 F1516 K1519 F1520N1498-I1502 VanDerWaalsContact O-CB 3.31Å; N1498-I1502 WeakPolarHBondContact O-CB 3.45Å; N1498-I1502 WeakPolarHBondContact O-CD1 3.4Å; N1498-I1502 WeakPolarHBondContact O-CG1 3.49Å; N1498-I1502 PolarHBondContact O-N 3.44Å; I1502-F1506 WeakPolarHBondContact O-CB 3.27Å; I1502-F1506 PolarHBondContact O-N 3.38Å; I1502-I1511 HydrophobicContact CG2-CD1 4.09Å; I1502-F1516 HydrophobicContact CG2-CD2 3.71Å; I1502-F1516 HydrophobicContact CG2-CE2 3.92Å; I1502-K1519 HydrophobicContact CD1-CB 4.14Å; I1502-K1519 HydrophobicContact CG1-CB 4.39Å; I1502-K1519 HydrophobicContact CG2-CB 4.23Å; I1502-F1520 HydrophobicContact CG2-CD2 4.43Å
1503A63.4Low64Low8 Ų856.1 Ų56.17%0.06633%0.332CS..Hα-helixtrans-69.6-40.4172.600000112.6S1499 V1501 F1506 L1507 A1544S1499-A1503 WeakPolarHBondContact O-CB 3.28Å; S1499-A1503 PolarHBondContact O-N 3.42Å; V1501-A1503 VanDerWaalsContact C-N 3.27Å; V1501-A1503 PolarHBondContact O-N 3.46Å; A1503-F1506 CarbonylContact O-C 3.49Å; A1503-F1506 PolarHBondContact O-N 3.03Å; A1503-L1507 VanDerWaalsContact O-CB 3.23Å; A1503-L1507 WeakPolarHBondContact O-CB 3.38Å; A1503-L1507 WeakPolarHBondContact O-CG 3.34Å; A1503-L1507 PolarHBondContact O-N 3.47Å; A1503-A1544 HydrophobicContact CB-CB 4.27Å
1504N67.4Low64.6Low86 Ų8658.7 Ų58.746%0.4634%0.336SS..Hα-helixtrans-72.3-33.4178.3-81.4-45000112.7E1500 V1501 F1506 L1507 S1508E1500-N1504 WeakPolarHBondContact CG-ND2 3.27Å; E1500-N1504 WeakPolarHBondContact O-CA 3.32Å; E1500-N1504 WeakPolarHBondContact O-CB 3.44Å; E1500-N1504 PolarHBondContact O-N 2.84Å; E1500-N1504 PolarHBondContact O-ND2 2.9Å; V1501-N1504 CarbonylContact O-C 3.52Å; V1501-N1504 PolarHBondContact O-N 2.69Å; V1501-N1504 VanDerWaalsContact O-N 3.15Å; N1504-F1506 VanDerWaalsContact C-N 3.35Å; N1504-L1507 PolarHBondContact O-N 2.73Å; N1504-S1508 WeakPolarHBondContact O-CB 3.33Å; N1504-S1508 PolarHBondContact O-N 3.31Å; N1504-S1508 PolarHBondContact O-OG 3.45Å
1505D73.5Confident65.5Low49 Ų4956.6 Ų56.626%0.26233%0.326SS..Hα-helixtrans-63.6-43.6170.3-89.6-26.1000110.3V1501 S1508 G1509 S1510 I1511V1501-D1505 WeakPolarHBondContact O-CB 3.4Å; V1501-D1505 PolarHBondContact O-N 3.39Å; D1505-S1508 WeakPolarHBondContact CA-OG 3.43Å; D1505-S1508 PolarHBondContact O-OG 3.02Å; D1505-G1509 CarbonylContact O-C 3.59Å; D1505-G1509 WeakPolarHBondContact O-CA 3.25Å; D1505-G1509 PolarHBondContact O-N 3.12Å; D1505-S1510 WeakPolarHBondContact CA-OG 3.45Å; D1505-S1510 WeakPolarHBondContact CB-OG 3.39Å; D1505-S1510 VanDerWaalsContact CG-OG 3.25Å; D1505-S1510 PolarHBondContact O-N 2.7Å; D1505-S1510 PolarHBondContact O-OG 2.69Å; D1505-S1510 PolarHBondContact OD1-OG 3.31Å; D1505-I1511 HydrophobicContact CB-CB 4.4Å; D1505-I1511 HydrophobicContact CB-CD1 3.85Å; D1505-I1511 HydrophobicContact CB-CG1 3.85Å; D1505-I1511 HydrophobicContact CB-CG2 3.89Å
1506F69.7Low66.5Low6 Ų655.8 Ų55.83%0.02632%0.315CS..Hα-helixtrans-72.6-29.4176.4-179.1-108.4000113.3I1502 A1503 N1504 I1511 P1513 F1516 A1548 R1551I1502-F1506 WeakPolarHBondContact O-CB 3.27Å; I1502-F1506 PolarHBondContact O-N 3.38Å; A1503-F1506 CarbonylContact O-C 3.49Å; A1503-F1506 PolarHBondContact O-N 3.03Å; N1504-F1506 VanDerWaalsContact C-N 3.35Å; F1506-I1511 HydrophobicContact CB-CD1 4.15Å; F1506-I1511 HydrophobicContact CB-CG1 4.04Å; F1506-P1513 HydrophobicContact CE2-CB 4.16Å; F1506-P1513 HydrophobicContact CE2-CG 4.23Å; F1506-F1516 HydrophobicContact CB-CB 4.33Å; F1506-F1516 HydrophobicContact CB-CD2 3.62Å; F1506-F1516 HydrophobicContact CB-CE2 4.28Å; F1506-F1516 HydrophobicContact CB-CG 4.16Å; F1506-F1516 HydrophobicContact CD1-CD2 4.12Å; F1506-F1516 HydrophobicContact CD1-CE2 4.34Å; F1506-F1516 HydrophobicContact CD1-CG 4.27Å; F1506-F1516 HydrophobicContact CD2-CB 3.66Å; F1506-F1516 HydrophobicContact CD2-CD2 4.25Å; F1506-F1516 AromaticContact CD2-CG 3.92Å; F1506-F1516 HydrophobicContact CD2-CG 3.92Å; F1506-F1516 HydrophobicContact CE2-CB 4.19Å; F1506-F1516 HydrophobicContact CE2-CG 4.4Å; F1506-F1516 HydrophobicContact CG-CB 4.04Å; F1506-F1516 AromaticContact CG-CD2 3.74Å; F1506-F1516 HydrophobicContact CG-CD2 3.74Å; F1506-F1516 HydrophobicContact CG-CE2 4.37Å; F1506-F1516 AromaticContact CG-CG 3.84Å; F1506-F1516 HydrophobicContact CG-CG 3.84Å; F1506-A1548 HydrophobicContact CE1-CB 3.65Å; F1506-A1548 HydrophobicContact CZ-CB 3.85Å; F1506-R1551 WeakPolarHBondContact O-CD 3.48Å; F1506-R1551 PolarHBondContact O-NH1 3.29Å
1507L59.3Low67.1Low80 Ų8056.1 Ų56.142%0.41932%0.319SS..Hα-helixtrans-78-29.7173.8-91.6161.9000113.7A1503 N1504 A1547 R1551A1503-L1507 VanDerWaalsContact O-CB 3.23Å; A1503-L1507 WeakPolarHBondContact O-CB 3.38Å; A1503-L1507 WeakPolarHBondContact O-CG 3.34Å; A1503-L1507 PolarHBondContact O-N 3.47Å; N1504-L1507 PolarHBondContact O-N 2.73Å; L1507-A1547 HydrophobicContact CD1-CB 4.46Å; L1507-A1547 HydrophobicContact CD2-CB 3.46Å; L1507-A1547 VanDerWaalsContact CD2-CB 3.46Å; L1507-A1547 HydrophobicContact CG-CB 3.8Å; L1507-R1551 PolarHBondContact O-NE 3.49Å; L1507-R1551 PolarHBondContact O-NH1 3.47Å; L1507-R1551 PolarHBondContact O-NH2 2.83Å
1508S73Confident67.7Low78 Ų7852.6 Ų52.655%0.54531%0.311SS..Hα-helixtrans-86.2-45.7176.260.10000111N1504 D1505 S1510 R1551N1504-S1508 WeakPolarHBondContact O-CB 3.33Å; N1504-S1508 PolarHBondContact O-N 3.31Å; N1504-S1508 PolarHBondContact O-OG 3.45Å; D1505-S1508 WeakPolarHBondContact CA-OG 3.43Å; D1505-S1508 PolarHBondContact O-OG 3.02Å; S1508-S1510 PolarHBondContact OG-OG 3.21Å; S1508-R1551 PolarHBondContact O-NH1 2.96Å; S1508-R1551 PolarHBondContact O-NH2 3.06Å
1509G65.4Low68.1Low48 Ų4852.6 Ų52.650%0.49531%0.308SS..THydrogen-bonded Turntrans122.112.8175.300000115D1505 I1511D1505-G1509 CarbonylContact O-C 3.59Å; D1505-G1509 WeakPolarHBondContact O-CA 3.25Å; D1505-G1509 PolarHBondContact O-N 3.12Å; G1509-I1511 VanDerWaalsContact C-N 3.33Å
1510S75Confident68.4Low72 Ų7255 Ų5550%0.50332%0.316SS..SBendtrans-75.3-14.9178.336.10000114.2D1505 S1508D1505-S1510 WeakPolarHBondContact CA-OG 3.45Å; D1505-S1510 WeakPolarHBondContact CB-OG 3.39Å; D1505-S1510 VanDerWaalsContact CG-OG 3.25Å; D1505-S1510 PolarHBondContact O-N 2.7Å; D1505-S1510 PolarHBondContact O-OG 2.69Å; D1505-S1510 PolarHBondContact OD1-OG 3.31Å; S1508-S1510 PolarHBondContact OG-OG 3.21Å
1511I73.8Confident68.3Low13 Ų1354.3 Ų54.37%0.06732%0.319CS..SBendtrans-127144.8173.470.2179.6000112.3I1502 D1505 F1506 G1509 E1515 F1516 K1519I1502-I1511 HydrophobicContact CG2-CD1 4.09Å; D1505-I1511 HydrophobicContact CB-CB 4.4Å; D1505-I1511 HydrophobicContact CB-CD1 3.85Å; D1505-I1511 HydrophobicContact CB-CG1 3.85Å; D1505-I1511 HydrophobicContact CB-CG2 3.89Å; F1506-I1511 HydrophobicContact CB-CD1 4.15Å; F1506-I1511 HydrophobicContact CB-CG1 4.04Å; G1509-I1511 VanDerWaalsContact C-N 3.33Å; I1511-E1515 WeakPolarHBondContact CA-OE2 3.42Å; I1511-E1515 HydrophobicContact CB-CB 3.99Å; I1511-F1516 HydrophobicContact CD1-CB 4.08Å; I1511-F1516 HydrophobicContact CD1-CD2 4.33Å; I1511-F1516 HydrophobicContact CG1-CB 4.47Å; I1511-K1519 HydrophobicContact CD1-CD 4.16Å; I1511-K1519 HydrophobicContact CG2-CD 4.37Å
1512S74.6Confident67.8Low41 Ų4156.8 Ų56.829%0.28733%0.33SS..  trans-70.1162.9176.9103.50000112.4E1514 E1515 F1516S1512-E1514 VanDerWaalsContact C-N 3.28Å; S1512-E1514 WeakPolarHBondContact CB-OE2 3.46Å; S1512-E1514 PolarHBondContact O-N 3.19Å; S1512-E1514 PolarHBondContact OG-N 2.94Å; S1512-E1514 VanDerWaalsContact OG-N 3.12Å; S1512-E1514 PolarHBondContact OG-OE2 3.33Å; S1512-E1515 PolarHBondContact N-OE2 3.11Å; S1512-E1515 VanDerWaalsContact N-OE2 3.13Å; S1512-E1515 CarbonylContact O-C 3.59Å; S1512-E1515 WeakPolarHBondContact O-CB 3.43Å; S1512-E1515 PolarHBondContact O-N 2.94Å; S1512-E1515 PolarHBondContact OG-N 3.47Å; S1512-F1516 PolarHBondContact O-N 3.3Å
1513P62.1Low66.6Low35 Ų3557.3 Ų57.323%0.22734%0.339CS..Hα-helixtrans-61.5-34.6172.1-21.533.2000113.7F1506 F1516 V1517 L1552F1506-P1513 HydrophobicContact CE2-CB 4.16Å; F1506-P1513 HydrophobicContact CE2-CG 4.23Å; P1513-F1516 PolarHBondContact O-N 3.46Å; P1513-V1517 WeakPolarHBondContact O-CG2 3.29Å; P1513-V1517 PolarHBondContact O-N 3.16Å; P1513-L1552 HydrophobicContact CB-CD1 4.37Å; P1513-L1552 HydrophobicContact CB-CD2 3.72Å; P1513-L1552 HydrophobicContact CB-CG 4.37Å; P1513-L1552 HydrophobicContact CG-CD2 3.64Å; P1513-L1552 HydrophobicContact CG-CG 4.39Å
1514E69.5Low65.4Low103 Ų10364.9 Ų64.948%0.48137%0.37SS..Hα-helixtrans-67.9-41172.9-56.775.8-16600111.1S1512 V1517 A1518S1512-E1514 VanDerWaalsContact C-N 3.28Å; S1512-E1514 WeakPolarHBondContact CB-OE2 3.46Å; S1512-E1514 PolarHBondContact O-N 3.19Å; S1512-E1514 PolarHBondContact OG-N 2.94Å; S1512-E1514 VanDerWaalsContact OG-N 3.12Å; S1512-E1514 PolarHBondContact OG-OE2 3.33Å; E1514-V1517 PolarHBondContact O-N 3.45Å; E1514-A1518 WeakPolarHBondContact O-CB 3.44Å; E1514-A1518 PolarHBondContact O-N 3.05Å
1515E73.7Confident64.2Low77 Ų7772.2 Ų72.236%0.3639%0.391SS..Hα-helixtrans-63.8-40.5171.4-93.9-166.1101.500112.9I1511 S1512 A1518 K1519I1511-E1515 WeakPolarHBondContact CA-OE2 3.42Å; I1511-E1515 HydrophobicContact CB-CB 3.99Å; S1512-E1515 PolarHBondContact N-OE2 3.11Å; S1512-E1515 VanDerWaalsContact N-OE2 3.13Å; S1512-E1515 CarbonylContact O-C 3.59Å; S1512-E1515 WeakPolarHBondContact O-CB 3.43Å; S1512-E1515 PolarHBondContact O-N 2.94Å; S1512-E1515 PolarHBondContact OG-N 3.47Å; E1515-A1518 PolarHBondContact O-N 3.13Å; E1515-K1519 VanDerWaalsContact O-CB 3.27Å; E1515-K1519 WeakPolarHBondContact O-CB 3.47Å; E1515-K1519 WeakPolarHBondContact O-CG 3.46Å; E1515-K1519 PolarHBondContact O-N 2.91Å; E1515-K1519 WeakPolarHBondContact OE1-CE 3.32Å; E1515-K1519 IonicContact OE1-NZ 3.61Å; E1515-K1519 PolarHBondContact OE1-NZ 3.36Å
1516F71.2Confident62.7Low20 Ų2073.4 Ų73.49%0.08840%0.397CS..Hα-helixtrans-61.5-48.3175.4174-96.3000109.9I1502 F1506 I1511 S1512 P1513 A1518 K1519 F1520 A1544I1502-F1516 HydrophobicContact CG2-CD2 3.71Å; I1502-F1516 HydrophobicContact CG2-CE2 3.92Å; F1506-F1516 HydrophobicContact CB-CB 4.33Å; F1506-F1516 HydrophobicContact CB-CD2 3.62Å; F1506-F1516 HydrophobicContact CB-CE2 4.28Å; F1506-F1516 HydrophobicContact CB-CG 4.16Å; F1506-F1516 HydrophobicContact CD1-CD2 4.12Å; F1506-F1516 HydrophobicContact CD1-CE2 4.34Å; F1506-F1516 HydrophobicContact CD1-CG 4.27Å; F1506-F1516 HydrophobicContact CD2-CB 3.66Å; F1506-F1516 HydrophobicContact CD2-CD2 4.25Å; F1506-F1516 AromaticContact CD2-CG 3.92Å; F1506-F1516 HydrophobicContact CD2-CG 3.92Å; F1506-F1516 HydrophobicContact CE2-CB 4.19Å; F1506-F1516 HydrophobicContact CE2-CG 4.4Å; F1506-F1516 HydrophobicContact CG-CB 4.04Å; F1506-F1516 AromaticContact CG-CD2 3.74Å; F1506-F1516 HydrophobicContact CG-CD2 3.74Å; F1506-F1516 HydrophobicContact CG-CE2 4.37Å; F1506-F1516 AromaticContact CG-CG 3.84Å; F1506-F1516 HydrophobicContact CG-CG 3.84Å; I1511-F1516 HydrophobicContact CD1-CB 4.08Å; I1511-F1516 HydrophobicContact CD1-CD2 4.33Å; I1511-F1516 HydrophobicContact CG1-CB 4.47Å; S1512-F1516 PolarHBondContact O-N 3.3Å; P1513-F1516 PolarHBondContact O-N 3.46Å; F1516-A1518 VanDerWaalsContact C-N 3.31Å; F1516-A1518 PolarHBondContact O-N 3.5Å; F1516-K1519 PolarHBondContact O-N 3.22Å; F1516-F1520 HydrophobicContact CE2-CD2 4.04Å; F1516-F1520 AromaticContact CZ-CD2 3.94Å; F1516-F1520 HydrophobicContact CZ-CD2 3.94Å; F1516-F1520 HydrophobicContact CZ-CE2 4.42Å; F1516-F1520 HydrophobicContact CZ-CG 4.3Å; F1516-F1520 WeakPolarHBondContact O-CB 3.32Å; F1516-F1520 PolarHBondContact O-N 3.48Å; F1516-A1544 HydrophobicContact CE2-CB 4.46Å; F1516-A1544 HydrophobicContact CZ-CB 4.03Å
1517V65.8Low61.3Low36 Ų3676.2 Ų76.222%0.21842%0.422CS..Hα-helixtrans-59.8-41174.5171.30000111.3P1513 E1514 T1521 V1558P1513-V1517 WeakPolarHBondContact O-CG2 3.29Å; P1513-V1517 PolarHBondContact O-N 3.16Å; E1514-V1517 PolarHBondContact O-N 3.45Å; V1517-T1521 HydrophobicContact CG1-CG2 4.38Å; V1517-T1521 VanDerWaalsContact O-CB 3.29Å; V1517-T1521 WeakPolarHBondContact O-CB 3.03Å; V1517-T1521 VanDerWaalsContact O-CG2 3.25Å; V1517-T1521 WeakPolarHBondContact O-CG2 3.05Å; V1517-T1521 PolarHBondContact O-N 3.26Å; V1517-T1521 PolarHBondContact O-OG1 3.47Å; V1517-V1558 HydrophobicContact CG2-CG1 4.31Å
1518A71.8Confident60.4Low52 Ų5281.2 Ų81.243%0.4344%0.443SS..Hα-helixtrans-64.1-58.2176.500000112.1E1514 E1515 F1516 F1520 T1521 D1522E1514-A1518 WeakPolarHBondContact O-CB 3.44Å; E1514-A1518 PolarHBondContact O-N 3.05Å; E1515-A1518 PolarHBondContact O-N 3.13Å; F1516-A1518 VanDerWaalsContact C-N 3.31Å; F1516-A1518 PolarHBondContact O-N 3.5Å; A1518-F1520 VanDerWaalsContact C-N 3.25Å; A1518-F1520 PolarHBondContact O-N 2.87Å; A1518-T1521 PolarHBondContact O-N 3.36Å; A1518-T1521 VanDerWaalsContact O-N 3.09Å; A1518-T1521 PolarHBondContact O-OG1 3.41Å; A1518-D1522 WeakPolarHBondContact O-CB 3.4Å; A1518-D1522 PolarHBondContact O-N 3.22Å
1519K68.8Low58.7Low85 Ų8581.8 Ų81.837%0.3744%0.439SS..Hα-helixtrans-58.6-34.5-179.3-72.6168.8167.4168.80112.4I1502 I1511 E1515 F1516I1502-K1519 HydrophobicContact CD1-CB 4.14Å; I1502-K1519 HydrophobicContact CG1-CB 4.39Å; I1502-K1519 HydrophobicContact CG2-CB 4.23Å; I1511-K1519 HydrophobicContact CD1-CD 4.16Å; I1511-K1519 HydrophobicContact CG2-CD 4.37Å; E1515-K1519 VanDerWaalsContact O-CB 3.27Å; E1515-K1519 WeakPolarHBondContact O-CB 3.47Å; E1515-K1519 WeakPolarHBondContact O-CG 3.46Å; E1515-K1519 PolarHBondContact O-N 2.91Å; E1515-K1519 WeakPolarHBondContact OE1-CE 3.32Å; E1515-K1519 IonicContact OE1-NZ 3.61Å; E1515-K1519 PolarHBondContact OE1-NZ 3.36Å; F1516-K1519 PolarHBondContact O-N 3.22Å
1520F61.2Low57.2Low65 Ų6589.9 Ų89.929%0.28546%0.455SS..Hα-helixtrans-81.2-25.4177.4-151.7-87.6000113.7I1502 F1516 A1518 I1541I1502-F1520 HydrophobicContact CG2-CD2 4.43Å; F1516-F1520 HydrophobicContact CE2-CD2 4.04Å; F1516-F1520 AromaticContact CZ-CD2 3.94Å; F1516-F1520 HydrophobicContact CZ-CD2 3.94Å; F1516-F1520 HydrophobicContact CZ-CE2 4.42Å; F1516-F1520 HydrophobicContact CZ-CG 4.3Å; F1516-F1520 WeakPolarHBondContact O-CB 3.32Å; F1516-F1520 PolarHBondContact O-N 3.48Å; A1518-F1520 VanDerWaalsContact C-N 3.25Å; A1518-F1520 PolarHBondContact O-N 2.87Å; F1520-I1541 HydrophobicContact CZ-CG1 4Å
1521T58.8Low55.4Low86 Ų8696.3 Ų96.353%0.52847%0.473SS..Hα-helixtrans-94.6-22.3178.257.20000114.6V1517 A1518 A1523V1517-T1521 HydrophobicContact CG1-CG2 4.38Å; V1517-T1521 VanDerWaalsContact O-CB 3.29Å; V1517-T1521 WeakPolarHBondContact O-CB 3.03Å; V1517-T1521 VanDerWaalsContact O-CG2 3.25Å; V1517-T1521 WeakPolarHBondContact O-CG2 3.05Å; V1517-T1521 PolarHBondContact O-N 3.26Å; V1517-T1521 PolarHBondContact O-OG1 3.47Å; A1518-T1521 PolarHBondContact O-N 3.36Å; A1518-T1521 VanDerWaalsContact O-N 3.09Å; A1518-T1521 PolarHBondContact O-OG1 3.41Å; T1521-A1523 PolarHBondContact O-N 2.99Å
1522D57.5Low53.7Low123 Ų123100.5 Ų100.566%0.65850%0.499SS*.SBendtrans-74-7.4175-146.116.8000112.6A1518 K1524A1518-D1522 WeakPolarHBondContact O-CB 3.4Å; A1518-D1522 PolarHBondContact O-N 3.22Å; D1522-K1524 PolarHBondContact O-N 3.1Å
1523A42.9Very low51.8Low41 Ų41105.8 Ų105.834%0.33952%0.517SS..  trans-67.242.6168.700000114.1T1521 R1525 L1526T1521-A1523 PolarHBondContact O-N 2.99Å; A1523-R1525 PolarHBondContact O-N 2.96Å; A1523-L1526 HydrophobicContact CB-CD1 3.74Å; A1523-L1526 HydrophobicContact CB-CG 4.22Å; A1523-L1526 WeakPolarHBondContact O-CB 3.49Å; A1523-L1526 PolarHBondContact O-N 2.83Å
1524K38.8Very low50.6Low167 Ų167106.1 Ų106.173%0.72652%0.52SS*.G310 helixtrans-54.3-13.7177.9-79.4171.6178.8153.40114.8D1522 L1526D1522-K1524 PolarHBondContact O-N 3.1Å; K1524-L1526 VanDerWaalsContact C-N 3.32Å
1525R41.9Very low49.2Very low239 Ų239108 Ų10890%0.90253%0.529SS*.G310 helixtrans-68.9-22.6171.5-68.4-178174.2179.7-1.5113.7A1523 A1527A1523-R1525 PolarHBondContact O-N 2.96Å; R1525-A1527 PolarHBondContact O-N 3.23Å; R1525-A1527 VanDerWaalsContact O-N 3.1Å
1526L42.6Very low47.9Very low74 Ų74109.8 Ų109.839%0.38754%0.536SS..G310 helixtrans-61.9-18.6-179-76.1168.7000114.3A1523 K1524 H1528 L1529A1523-L1526 HydrophobicContact CB-CD1 3.74Å; A1523-L1526 HydrophobicContact CB-CG 4.22Å; A1523-L1526 WeakPolarHBondContact O-CB 3.49Å; A1523-L1526 PolarHBondContact O-N 2.83Å; K1524-L1526 VanDerWaalsContact C-N 3.32Å; L1526-H1528 PolarHBondContact O-N 3.05Å; L1526-L1529 HydrophobicContact CD2-CD1 3.98Å; L1526-L1529 PolarHBondContact O-N 3.18Å
1527A40Very low46.7Very low66 Ų66111.5 Ų111.555%0.54555%0.545SS..G310 helixtrans-60.1-18.8-176.200000115R1525R1525-A1527 PolarHBondContact O-N 3.23Å; R1525-A1527 VanDerWaalsContact O-N 3.1Å
1528H39Very low46Very low185 Ų185116.1 Ų116.186%0.85657%0.565SS**G310 helixtrans-88.6-14176.4-84.49.6000115L1526 R1530L1526-H1528 PolarHBondContact O-N 3.05Å; H1528-R1530 PolarHBondContact O-N 3.31Å
1529L39.3Very low45.1Very low89 Ų89120.5 Ų120.547%0.46658%0.576SS.*  trans-79.16.9-179.4-79.8161.3000114.4L1526 K1531 V1532L1526-L1529 HydrophobicContact CD2-CD1 3.98Å; L1526-L1529 PolarHBondContact O-N 3.18Å; L1529-K1531 PolarHBondContact O-N 2.64Å; L1529-V1532 HydrophobicContact CD2-CG2 4.14Å; L1529-V1532 PolarHBondContact O-N 2.76Å; L1529-V1532 VanDerWaalsContact O-N 3.08Å
1530R33.9Very low44.2Very low218 Ų218117.7 Ų117.782%0.82357%0.565SS**THydrogen-bonded Turntrans-55.46.6179.1-89.6-178.3166.7178.3-2.9117.2H1528H1528-R1530 PolarHBondContact O-N 3.31Å
1531K37Very low43.7Very low207 Ų207118.1 Ų118.190%0.957%0.569SS**THydrogen-bonded Turntrans-126.2-2.9176.5-77.3-172.7174-179.60115.2L1529L1529-K1531 PolarHBondContact O-N 2.64Å
1532V38.1Very low43.4Very low101 Ų101119 Ų11961%0.61257%0.566SS**  trans-101.1120.1178.4-175.60000109.8L1529 C1534L1529-V1532 HydrophobicContact CD2-CG2 4.14Å; L1529-V1532 PolarHBondContact O-N 2.76Å; L1529-V1532 VanDerWaalsContact O-N 3.08Å; V1532-C1534 VanDerWaalsContact C-N 3.32Å; V1532-C1534 HydrophobicContact CG1-CB 4.49Å; V1532-C1534 PolarHBondContact O-N 3.11Å; V1532-C1534 VanDerWaalsContact O-N 3.11Å
1533K34.3Very low43.2Very low152 Ų152114.9 Ų114.966%0.66155%0.552SS**  trans-80.879.2170.1-75.5-178.2169.6178.20109.5E1535K1533-E1535 PolarHBondContact O-N 2.68Å
1534C35.7Very low43.7Very low42 Ų42113.1 Ų113.128%0.28454%0.538SS..  trans-86.6103.5170.3-169.10000109.9E1496 V1532 K1536 L1537 Q1538E1496-C1534 PolarHBondContact OE1-SG 2.84Å; E1496-C1534 VanDerWaalsContact OE1-SG 3.39Å; V1532-C1534 VanDerWaalsContact C-N 3.32Å; V1532-C1534 HydrophobicContact CG1-CB 4.49Å; V1532-C1534 PolarHBondContact O-N 3.11Å; V1532-C1534 VanDerWaalsContact O-N 3.11Å; C1534-K1536 VanDerWaalsContact C-N 3.31Å; C1534-L1537 HydrophobicContact CB-CB 3.85Å; C1534-L1537 PolarHBondContact O-N 3.03Å; C1534-L1537 PolarHBondContact SG-N 2.79Å; C1534-L1537 VanDerWaalsContact SG-N 3.4Å; C1534-Q1538 PolarHBondContact O-N 2.82Å
1535E41.3Very low44.3Very low144 Ų144109.4 Ų109.467%0.67353%0.529SS*.Hα-helixtrans-67.1-32.7176.6-65177.8157.400111K1533 Q1538 E1539K1533-E1535 PolarHBondContact O-N 2.68Å; E1535-Q1538 WeakPolarHBondContact O-CA 3.38Å; E1535-Q1538 WeakPolarHBondContact O-CB 3.26Å; E1535-Q1538 PolarHBondContact O-N 2.84Å; E1535-Q1538 VanDerWaalsContact O-N 3.17Å; E1535-E1539 PolarHBondContact O-N 3.3Å
1536K45.5Very low44.7Very low114 Ų114104.2 Ų104.250%0.49651%0.509SS..Hα-helixtrans-61.3-42.9170.3-75.2-178.382.3-157.50112.9E1496 C1534 Q1538 E1539 I1540E1496-K1536 VanDerWaalsContact OE1-CB 3.29Å; E1496-K1536 WeakPolarHBondContact OE1-CB 3.34Å; E1496-K1536 IonicContact OE1-NZ 3.18Å; E1496-K1536 IonicContact OE2-NZ 3.23Å; E1496-K1536 PolarHBondContact OE2-NZ 2.8Å; C1534-K1536 VanDerWaalsContact C-N 3.31Å; K1536-Q1538 PolarHBondContact O-N 3.08Å; K1536-E1539 CarbonylContact O-C 2.83Å; K1536-E1539 WeakPolarHBondContact O-CA 3.3Å; K1536-E1539 WeakPolarHBondContact O-CB 3.25Å; K1536-E1539 PolarHBondContact O-N 3.21Å; K1536-I1540 WeakPolarHBondContact O-CG1 3.31Å; K1536-I1540 PolarHBondContact O-N 2.91Å
1537L46.8Very low45.3Very low56 Ų56101.2 Ų101.229%0.29350%0.495SS..Hα-helixtrans-65-29.7177.1-155.197.8000111.4C1534 I1541C1534-L1537 HydrophobicContact CB-CB 3.85Å; C1534-L1537 PolarHBondContact O-N 3.03Å; C1534-L1537 PolarHBondContact SG-N 2.79Å; C1534-L1537 VanDerWaalsContact SG-N 3.4Å; L1537-I1541 HydrophobicContact CD2-CD1 4.31Å; L1537-I1541 WeakPolarHBondContact O-CB 3.22Å; L1537-I1541 WeakPolarHBondContact O-CD1 3.36Å; L1537-I1541 VanDerWaalsContact O-CG1 3.26Å; L1537-I1541 WeakPolarHBondContact O-CG1 3.46Å; L1537-I1541 PolarHBondContact O-N 3.37Å; L1537-I1541 VanDerWaalsContact O-N 3.16Å
1538Q51.9Low46Very low133 Ų13398.5 Ų98.562%0.62147%0.473SS*.Hα-helixtrans-68.2-44.8168.4-64.4-172.5-40.100111.3C1534 E1535 K1536 I1540 I1541 F1542C1534-Q1538 PolarHBondContact O-N 2.82Å; E1535-Q1538 WeakPolarHBondContact O-CA 3.38Å; E1535-Q1538 WeakPolarHBondContact O-CB 3.26Å; E1535-Q1538 PolarHBondContact O-N 2.84Å; E1535-Q1538 VanDerWaalsContact O-N 3.17Å; K1536-Q1538 PolarHBondContact O-N 3.08Å; Q1538-I1540 PolarHBondContact O-N 3.28Å; Q1538-I1541 PolarHBondContact O-N 3.03Å; Q1538-F1542 WeakPolarHBondContact O-CB 3.28Å; Q1538-F1542 PolarHBondContact O-N 3.4Å
1539E51.3Low46.6Very low144 Ų14492.9 Ų92.967%0.67346%0.455SS*.Hα-helixtrans-60.4-40.9174.7-72.5-165.3122.400113.4E1535 K1536 F1542 G1543E1535-E1539 PolarHBondContact O-N 3.3Å; K1536-E1539 CarbonylContact O-C 2.83Å; K1536-E1539 WeakPolarHBondContact O-CA 3.3Å; K1536-E1539 WeakPolarHBondContact O-CB 3.25Å; K1536-E1539 PolarHBondContact O-N 3.21Å; E1539-F1542 PolarHBondContact O-N 2.74Å; E1539-G1543 PolarHBondContact O-N 2.94Å
1540I50.7Low47Very low26 Ų2695.7 Ų95.713%0.13346%0.459CS..Hα-helixtrans-65.1-46.5177.7-65.5166000110.4E1496 K1536 Q1538 F1542 G1543 A1544E1496-I1540 HydrophobicContact CB-CD1 4.34Å; E1496-I1540 HydrophobicContact CG-CD1 4.18Å; K1536-I1540 WeakPolarHBondContact O-CG1 3.31Å; K1536-I1540 PolarHBondContact O-N 2.91Å; Q1538-I1540 PolarHBondContact O-N 3.28Å; I1540-F1542 VanDerWaalsContact C-N 3.29Å; I1540-F1542 PolarHBondContact O-N 2.73Å; I1540-G1543 PolarHBondContact O-N 3.06Å; I1540-A1544 WeakPolarHBondContact O-CB 3.31Å; I1540-A1544 PolarHBondContact O-N 3.32Å
1541I51.3Low47.8Very low74 Ų7491.2 Ų91.238%0.37944%0.442SS..Hα-helixtrans-60.9-40.3173.8-70.5168000110.8F1520 L1537 Q1538 T1545F1520-I1541 HydrophobicContact CZ-CG1 4Å; L1537-I1541 HydrophobicContact CD2-CD1 4.31Å; L1537-I1541 WeakPolarHBondContact O-CB 3.22Å; L1537-I1541 WeakPolarHBondContact O-CD1 3.36Å; L1537-I1541 VanDerWaalsContact O-CG1 3.26Å; L1537-I1541 WeakPolarHBondContact O-CG1 3.46Å; L1537-I1541 PolarHBondContact O-N 3.37Å; L1537-I1541 VanDerWaalsContact O-N 3.16Å; Q1538-I1541 PolarHBondContact O-N 3.03Å; I1541-T1545 VanDerWaalsContact O-CB 3.27Å; I1541-T1545 WeakPolarHBondContact O-CB 3.29Å; I1541-T1545 PolarHBondContact O-N 3.12Å; I1541-T1545 PolarHBondContact O-OG1 3.48Å
1542F51.6Low48.3Very low105 Ų10582.9 Ų82.946%0.46141%0.407SS..Hα-helixtrans-67.6-42.6179.8-158.2-103.4000111.8Q1538 E1539 I1540 R1546 H1575Q1538-F1542 WeakPolarHBondContact O-CB 3.28Å; Q1538-F1542 PolarHBondContact O-N 3.4Å; E1539-F1542 PolarHBondContact O-N 2.74Å; I1540-F1542 VanDerWaalsContact C-N 3.29Å; I1540-F1542 PolarHBondContact O-N 2.73Å; F1542-R1546 VanDerWaalsContact O-CB 3.28Å; F1542-R1546 WeakPolarHBondContact O-CB 3.38Å; F1542-R1546 PolarHBondContact O-N 3.19Å; F1542-H1575 AromaticContact CE2-CD2 3.9Å; F1542-H1575 AromaticContact CE2-CE1 3.7Å; F1542-H1575 AromaticContact CE2-NE2 3.22Å; F1542-H1575 WeakPolarHBondContact CE2-NE2 3.4Å; F1542-H1575 AromaticContact CZ-CE1 3.92Å; F1542-H1575 AromaticContact CZ-NE2 3.23Å; F1542-H1575 WeakPolarHBondContact CZ-NE2 3.25Å
1543G53.7Low48.3Very low35 Ų3580.9 Ų80.936%0.36141%0.407SS..Hα-helixtrans-63.3-50174.600000112.2E1539 I1540 T1545 R1546 A1547E1539-G1543 PolarHBondContact O-N 2.94Å; I1540-G1543 PolarHBondContact O-N 3.06Å; G1543-T1545 PolarHBondContact O-N 2.94Å; G1543-R1546 PolarHBondContact O-N 3.27Å; G1543-A1547 WeakPolarHBondContact O-CB 3.41Å; G1543-A1547 PolarHBondContact O-N 3.39Å
1544A52.6Low48.7Very low5 Ų578.1 Ų78.14%0.04141%0.407CS..Hα-helixtrans-62.2-40.3176.900000112.3A1503 F1516 I1540 A1547 A1548A1503-A1544 HydrophobicContact CB-CB 4.27Å; F1516-A1544 HydrophobicContact CE2-CB 4.46Å; F1516-A1544 HydrophobicContact CZ-CB 4.03Å; I1540-A1544 WeakPolarHBondContact O-CB 3.31Å; I1540-A1544 PolarHBondContact O-N 3.32Å; A1544-A1547 PolarHBondContact O-N 3.04Å; A1544-A1548 WeakPolarHBondContact O-CB 3.16Å; A1544-A1548 PolarHBondContact O-N 2.74Å
1545T52.4Low49.4Very low89 Ų8979.1 Ų79.155%0.54641%0.41SS..Hα-helixtrans-65.2-41.1175.1-55.70000111.4I1541 G1543 A1548 S1549I1541-T1545 VanDerWaalsContact O-CB 3.27Å; I1541-T1545 WeakPolarHBondContact O-CB 3.29Å; I1541-T1545 PolarHBondContact O-N 3.12Å; I1541-T1545 PolarHBondContact O-OG1 3.48Å; G1543-T1545 PolarHBondContact O-N 2.94Å; T1545-A1548 PolarHBondContact O-N 3.19Å; T1545-S1549 PolarHBondContact O-N 3.31Å; T1545-S1549 VanDerWaalsContact O-N 3.13Å
1546R50.3Low49.9Very low129 Ų12976.5 Ų76.549%0.48740%0.4SS..Hα-helixtrans-66.6-37.1176.4-159.8177.9-160.3-179.68.2111.8F1542 G1543 W1550F1542-R1546 VanDerWaalsContact O-CB 3.28Å; F1542-R1546 WeakPolarHBondContact O-CB 3.38Å; F1542-R1546 PolarHBondContact O-N 3.19Å; G1543-R1546 PolarHBondContact O-N 3.27Å; R1546-W1550 PolarHBondContact O-N 3.14Å
1547A54.2Low50.4Low11 Ų1178.8 Ų78.89%0.09141%0.41CS..Hα-helixtrans-65.9-44.7173.600000112.3L1507 G1543 A1544 S1549 W1550 R1551L1507-A1547 HydrophobicContact CD1-CB 4.46Å; L1507-A1547 HydrophobicContact CD2-CB 3.46Å; L1507-A1547 VanDerWaalsContact CD2-CB 3.46Å; L1507-A1547 HydrophobicContact CG-CB 3.8Å; G1543-A1547 WeakPolarHBondContact O-CB 3.41Å; G1543-A1547 PolarHBondContact O-N 3.39Å; A1544-A1547 PolarHBondContact O-N 3.04Å; A1547-S1549 VanDerWaalsContact C-N 3.28Å; A1547-S1549 PolarHBondContact O-N 2.82Å; A1547-W1550 PolarHBondContact O-N 2.99Å; A1547-R1551 PolarHBondContact O-N 2.88Å; A1547-R1551 VanDerWaalsContact O-N 3.11Å
1548A54.5Low50.8Low10 Ų1076.4 Ų76.48%0.08340%0.398CS..Hα-helixtrans-57.5-44.2177.600000111.2F1506 A1544 T1545 W1550 R1551 L1552F1506-A1548 HydrophobicContact CE1-CB 3.65Å; F1506-A1548 HydrophobicContact CZ-CB 3.85Å; A1544-A1548 WeakPolarHBondContact O-CB 3.16Å; A1544-A1548 PolarHBondContact O-N 2.74Å; T1545-A1548 PolarHBondContact O-N 3.19Å; A1548-W1550 PolarHBondContact O-N 3.02Å; A1548-R1551 PolarHBondContact O-N 3.09Å; A1548-L1552 HydrophobicContact CB-CD1 4.35Å; A1548-L1552 WeakPolarHBondContact O-CB 3.48Å; A1548-L1552 PolarHBondContact O-N 3.37Å
1549S52.1Low50.9Low66 Ų6673.1 Ų73.146%0.46239%0.387SS..Hα-helixtrans-66.3-17.2177.9-162.70000114.7T1545 A1547 V1586T1545-S1549 PolarHBondContact O-N 3.31Å; T1545-S1549 VanDerWaalsContact O-N 3.13Å; A1547-S1549 VanDerWaalsContact C-N 3.28Å; A1547-S1549 PolarHBondContact O-N 2.82Å; S1549-V1586 VanDerWaalsContact OG-CG1 3.3Å; S1549-V1586 WeakPolarHBondContact OG-CG1 3.25Å
1550W49Very low51.1Low148 Ų14871.3 Ų71.356%0.56138%0.377SS*.Hα-helixtrans-91.3-28.7172.4-90.385.1000113.5R1546 A1547 A1548 L1585 V1586 I1587R1546-W1550 PolarHBondContact O-N 3.14Å; A1547-W1550 PolarHBondContact O-N 2.99Å; A1548-W1550 PolarHBondContact O-N 3.02Å; W1550-L1585 HydrophobicContact CZ2-CD2 3.82Å; W1550-L1585 HydrophobicContact CZ2-CG 4.14Å; W1550-V1586 HydrophobicContact CZ2-CG2 4.44Å; W1550-I1587 HydrophobicContact CD2-CD1 3.54Å; W1550-I1587 HydrophobicContact CE3-CD1 3.54Å; W1550-I1587 HydrophobicContact CG-CD1 4.07Å; W1550-I1587 HydrophobicContact CH2-CD1 4.11Å; W1550-I1587 HydrophobicContact CZ2-CD1 4.11Å; W1550-I1587 HydrophobicContact CZ3-CD1 3.84Å
1551R49.6Very low51.4Low124 Ų12475.8 Ų75.847%0.46840%0.397SS..Hα-helixtrans-96-30.3-176.5-78.3-176.9158.7-145.5-12.7114.5F1506 L1507 S1508 A1547 A1548 G1553F1506-R1551 WeakPolarHBondContact O-CD 3.48Å; F1506-R1551 PolarHBondContact O-NH1 3.29Å; L1507-R1551 PolarHBondContact O-NE 3.49Å; L1507-R1551 PolarHBondContact O-NH1 3.47Å; L1507-R1551 PolarHBondContact O-NH2 2.83Å; S1508-R1551 PolarHBondContact O-NH1 2.96Å; S1508-R1551 PolarHBondContact O-NH2 3.06Å; A1547-R1551 PolarHBondContact O-N 2.88Å; A1547-R1551 VanDerWaalsContact O-N 3.11Å; A1548-R1551 PolarHBondContact O-N 3.09Å; R1551-G1553 VanDerWaalsContact C-N 3.25Å; R1551-G1553 PolarHBondContact O-N 3.3Å
1552L48.5Very low51.3Low32 Ų3275.7 Ų75.717%0.16840%0.397CS..  trans-82.360.4-178.1-81166.3000113.3P1513 A1548 S1554 N1555 V1558P1513-L1552 HydrophobicContact CB-CD1 4.37Å; P1513-L1552 HydrophobicContact CB-CD2 3.72Å; P1513-L1552 HydrophobicContact CB-CG 4.37Å; P1513-L1552 HydrophobicContact CG-CD2 3.64Å; P1513-L1552 HydrophobicContact CG-CG 4.39Å; A1548-L1552 HydrophobicContact CB-CD1 4.35Å; A1548-L1552 WeakPolarHBondContact O-CB 3.48Å; A1548-L1552 PolarHBondContact O-N 3.37Å; L1552-S1554 PolarHBondContact O-N 3.03Å; L1552-S1554 VanDerWaalsContact O-N 3.1Å; L1552-N1555 HydrophobicContact CD2-CB 4.25Å; L1552-V1558 HydrophobicContact CD1-CB 4.35Å; L1552-V1558 HydrophobicContact CD1-CG1 3.86Å; L1552-V1558 HydrophobicContact CD2-CB 4.5Å
1553G37.5Very low51.2Low59 Ų5977 Ų7761%0.60841%0.408SS*.THydrogen-bonded Turntrans-58.8113.2171.100000111.9R1551 N1555R1551-G1553 VanDerWaalsContact C-N 3.25Å; R1551-G1553 PolarHBondContact O-N 3.3Å; G1553-N1555 PolarHBondContact O-N 3.47Å
1554S42.2Very low50.9Low95 Ų9584.7 Ų84.766%0.66443%0.426SS*.THydrogen-bonded Turntrans70.46.1168.3-35.50000118.7L1552 D1556 P1589L1552-S1554 PolarHBondContact O-N 3.03Å; L1552-S1554 VanDerWaalsContact O-N 3.1Å; S1554-D1556 PolarHBondContact O-N 3.47Å; S1554-P1589 VanDerWaalsContact OG-CG 3.32Å; S1554-P1589 WeakPolarHBondContact OG-CG 3.24Å
1555N49.8Very low50.6Low63 Ų6389.2 Ų89.234%0.33745%0.449SS..  trans-94.475.1-178.7-161.4-8000113.6L1552 G1553 K1557 V1558L1552-N1555 HydrophobicContact CD2-CB 4.25Å; G1553-N1555 PolarHBondContact O-N 3.47Å; N1555-K1557 PolarHBondContact O-N 3.08Å; N1555-K1557 VanDerWaalsContact O-N 3.07Å; N1555-V1558 PolarHBondContact O-N 2.92Å
1556D51.7Low50Low89 Ų8993.7 Ų93.748%0.47646%0.464SS..Hα-helixtrans-52.3-26.1-176.5175.859.4000115.4S1554 K1560S1554-D1556 PolarHBondContact O-N 3.47Å; D1556-K1560 WeakPolarHBondContact O-CB 3.32Å; D1556-K1560 WeakPolarHBondContact O-CG 3.34Å; D1556-K1560 PolarHBondContact O-N 2.84Å; D1556-K1560 WeakPolarHBondContact OD1-CD 3.48Å; D1556-K1560 WeakPolarHBondContact OD1-CE 3.44Å; D1556-K1560 IonicContact OD1-NZ 2.88Å; D1556-K1560 PolarHBondContact OD1-NZ 3.27Å; D1556-K1560 WeakPolarHBondContact OD2-CE 3.42Å; D1556-K1560 IonicContact OD2-NZ 2.67Å; D1556-K1560 PolarHBondContact OD2-NZ 3.32Å
1557K56.9Low49.6Very low161 Ų16193 Ų9370%0.748%0.479SS*.Hα-helixtrans-64.5-48.1176.9-81.8-176175.9177.80112.9N1555 K1560 Q1561N1555-K1557 PolarHBondContact O-N 3.08Å; N1555-K1557 VanDerWaalsContact O-N 3.07Å; K1557-K1560 PolarHBondContact O-N 3.12Å; K1557-Q1561 PolarHBondContact O-N 2.91Å
1558V55.4Low48.9Very low7 Ų796.3 Ų96.34%0.04249%0.494CS..Hα-helixtrans-67.9-41.2-176.1-176.80000110V1517 L1552 N1555 K1560 Q1561 L1562V1517-V1558 HydrophobicContact CG2-CG1 4.31Å; L1552-V1558 HydrophobicContact CD1-CB 4.35Å; L1552-V1558 HydrophobicContact CD1-CG1 3.86Å; L1552-V1558 HydrophobicContact CD2-CB 4.5Å; N1555-V1558 PolarHBondContact O-N 2.92Å; V1558-K1560 VanDerWaalsContact C-N 3.34Å; V1558-K1560 PolarHBondContact O-N 3.13Å; V1558-Q1561 PolarHBondContact O-N 3.15Å; V1558-Q1561 VanDerWaalsContact O-N 3.13Å; V1558-L1562 HydrophobicContact CG1-CD1 4.33Å; V1558-L1562 PolarHBondContact O-N 2.92Å
1559V54.6Low48Very low64 Ų6499.8 Ų99.839%0.38852%0.516SS..Hα-helixtrans-58.8-45.2173.7-177.80000110.8Q1561 L1562 L1563V1559-Q1561 VanDerWaalsContact C-N 3.31Å; V1559-Q1561 PolarHBondContact O-N 3.03Å; V1559-L1562 PolarHBondContact O-N 2.86Å; V1559-L1563 HydrophobicContact CG1-CD1 3.9Å; V1559-L1563 HydrophobicContact CG1-CG 4.45Å; V1559-L1563 WeakPolarHBondContact O-CB 3.38Å; V1559-L1563 VanDerWaalsContact O-CG 3.29Å; V1559-L1563 WeakPolarHBondContact O-CG 3.48Å; V1559-L1563 PolarHBondContact O-N 3.38Å
1560K54.3Low47.1Very low105 Ų105102.5 Ų102.546%0.45752%0.521SS..Hα-helixtrans-69.7-20.6176.4-77.5171.2175.9158.40114.6D1556 K1557 V1558 R1564D1556-K1560 WeakPolarHBondContact O-CB 3.32Å; D1556-K1560 WeakPolarHBondContact O-CG 3.34Å; D1556-K1560 PolarHBondContact O-N 2.84Å; D1556-K1560 WeakPolarHBondContact OD1-CD 3.48Å; D1556-K1560 WeakPolarHBondContact OD1-CE 3.44Å; D1556-K1560 IonicContact OD1-NZ 2.88Å; D1556-K1560 PolarHBondContact OD1-NZ 3.27Å; D1556-K1560 WeakPolarHBondContact OD2-CE 3.42Å; D1556-K1560 IonicContact OD2-NZ 2.67Å; D1556-K1560 PolarHBondContact OD2-NZ 3.32Å; K1557-K1560 PolarHBondContact O-N 3.12Å; V1558-K1560 VanDerWaalsContact C-N 3.34Å; V1558-K1560 PolarHBondContact O-N 3.13Å; K1560-R1564 VanDerWaalsContact O-CD 3.3Å; K1560-R1564 WeakPolarHBondContact O-CD 3.15Å; K1560-R1564 VanDerWaalsContact O-CG 3.23Å; K1560-R1564 WeakPolarHBondContact O-CG 3Å
1561Q56.5Low46.4Very low120 Ų120101.8 Ų101.856%0.56153%0.528SS*.Hα-helixtrans-78.7-42.7170.5-74.6174.9-77.800111.6K1557 V1558 V1559 L1563 R1564K1557-Q1561 PolarHBondContact O-N 2.91Å; V1558-Q1561 PolarHBondContact O-N 3.15Å; V1558-Q1561 VanDerWaalsContact O-N 3.13Å; V1559-Q1561 VanDerWaalsContact C-N 3.31Å; V1559-Q1561 PolarHBondContact O-N 3.03Å; Q1561-L1563 PolarHBondContact O-N 2.82Å; Q1561-R1564 PolarHBondContact O-N 3.24Å
1562L49.6Very low45.9Very low73 Ų73100 Ų10038%0.38253%0.527SS..Hα-helixtrans-63.2-39.5174.9-70.2167.2000112.1V1558 V1559 R1564 L1565V1558-L1562 HydrophobicContact CG1-CD1 4.33Å; V1558-L1562 PolarHBondContact O-N 2.92Å; V1559-L1562 PolarHBondContact O-N 2.86Å; L1562-R1564 PolarHBondContact O-N 2.89Å; L1562-L1565 PolarHBondContact O-N 3.48Å
1563L50.3Low45.2Very low132 Ų132104.1 Ų104.169%0.69154%0.544SS*.THydrogen-bonded Turntrans-68.7-6.6175.9-72.4171.5000114.8V1559 Q1561V1559-L1563 HydrophobicContact CG1-CD1 3.9Å; V1559-L1563 HydrophobicContact CG1-CG 4.45Å; V1559-L1563 WeakPolarHBondContact O-CB 3.38Å; V1559-L1563 VanDerWaalsContact O-CG 3.29Å; V1559-L1563 WeakPolarHBondContact O-CG 3.48Å; V1559-L1563 PolarHBondContact O-N 3.38Å; Q1561-L1563 PolarHBondContact O-N 2.82Å
1564R47.1Very low45Very low196 Ų196105.2 Ų105.274%0.7454%0.538SS*.THydrogen-bonded Turntrans-96.25179.4-79.9173.1178.1-169.6-1.7114.5K1560 Q1561 L1562 E1566K1560-R1564 VanDerWaalsContact O-CD 3.3Å; K1560-R1564 WeakPolarHBondContact O-CD 3.15Å; K1560-R1564 VanDerWaalsContact O-CG 3.23Å; K1560-R1564 WeakPolarHBondContact O-CG 3Å; Q1561-R1564 PolarHBondContact O-N 3.24Å; L1562-R1564 PolarHBondContact O-N 2.89Å; R1564-E1566 PolarHBondContact O-N 3.35Å; R1564-E1566 VanDerWaalsContact O-N 3.15Å
1565L45.8Very low44.5Very low101 Ų101104.2 Ų104.253%0.52952%0.523SS..  trans-79.695.7177.5-66.8172.4000110.9L1562 S1567 I1568L1562-L1565 PolarHBondContact O-N 3.48Å; L1565-S1567 PolarHBondContact O-N 2.96Å; L1565-I1568 HydrophobicContact CB-CD1 4Å
1566E40.2Very low43.8Very low183 Ų183106.5 Ų106.586%0.85553%0.534SS*.THydrogen-bonded Turntrans-62.83.3-166.4-56.1-176.7131.100116.8R1564R1564-E1566 PolarHBondContact O-N 3.35Å; R1564-E1566 VanDerWaalsContact O-N 3.15Å
1567S41.8Very low42.9Very low113 Ų113105.4 Ų105.479%0.7954%0.537SS*.THydrogen-bonded Turntrans-93.74.5-174.7-620000115.4L1565L1565-S1567 PolarHBondContact O-N 2.96Å
1568I40Very low41.7Very low82 Ų82102 Ų10242%0.42153%0.526SS..  trans-109.4-15.3-161.5-59.1174.8000117.6L1565 E1570 L1572L1565-I1568 HydrophobicContact CB-CD1 4Å; I1568-E1570 PolarHBondContact O-N 2.94Å; I1568-L1572 HydrophobicContact CG2-CB 4.14Å; I1568-L1572 HydrophobicContact CG2-CD1 3.95Å; I1568-L1572 HydrophobicContact CG2-CD2 4.4Å; I1568-L1572 HydrophobicContact CG2-CG 4.4Å; I1568-L1572 PolarHBondContact O-N 3.18Å
1569P34.4Very low40.6Very low82 Ų82105.3 Ų105.353%0.53255%0.546SS..Hα-helixtrans-56-42.6-160.9-30.534.8000120.4K1573P1569-K1573 PolarHBondContact O-N 2.78Å
1570E34.7Very low39.6Very low124 Ų124105.3 Ų105.358%0.57955%0.552SS**Hα-helixtrans-81.1-38.8-170.5-68.1-52.7131.900113.7I1568 L1572 K1573 V1574I1568-E1570 PolarHBondContact O-N 2.94Å; E1570-L1572 VanDerWaalsContact C-N 3.25Å; E1570-L1572 PolarHBondContact O-N 3.2Å; E1570-K1573 PolarHBondContact O-N 3.16Å; E1570-K1573 IonicContact OE1-NZ 3.12Å; E1570-K1573 PolarHBondContact OE1-NZ 2.81Å; E1570-K1573 WeakPolarHBondContact OE2-CD 3.35Å; E1570-K1573 IonicContact OE2-NZ 2.84Å; E1570-K1573 PolarHBondContact OE2-NZ 3.22Å; E1570-V1574 PolarHBondContact O-N 2.98Å
1571L34.3Very low38.6Very low132 Ų132102.4 Ų102.469%0.69155%0.553SS**Hα-helixtrans-65.7-33173.3-93.5161.5000111.1K1573 V1574 H1575L1571-K1573 VanDerWaalsContact C-N 3.35Å; L1571-K1573 PolarHBondContact O-N 3.02Å; L1571-V1574 PolarHBondContact O-N 3.09Å; L1571-H1575 WeakPolarHBondContact O-CB 3.4Å; L1571-H1575 PolarHBondContact O-N 2.78Å
1572L37.3Very low37.3Very low86 Ų86100.8 Ų100.845%0.4555%0.551SS.*Hα-helixtrans-66.1-33.6176.3-147.173.7000112.8I1568 E1570 H1575 I1576I1568-L1572 HydrophobicContact CG2-CB 4.14Å; I1568-L1572 HydrophobicContact CG2-CD1 3.95Å; I1568-L1572 HydrophobicContact CG2-CD2 4.4Å; I1568-L1572 HydrophobicContact CG2-CG 4.4Å; I1568-L1572 PolarHBondContact O-N 3.18Å; E1570-L1572 VanDerWaalsContact C-N 3.25Å; E1570-L1572 PolarHBondContact O-N 3.2Å; L1572-H1575 PolarHBondContact O-N 2.84Å; L1572-I1576 HydrophobicContact CG-CD1 4.35Å; L1572-I1576 WeakPolarHBondContact O-CB 3.32Å; L1572-I1576 WeakPolarHBondContact O-CD1 3.44Å; L1572-I1576 WeakPolarHBondContact O-CG1 3.48Å; L1572-I1576 PolarHBondContact O-N 3.21Å
1573K34Very low36.2Very low120 Ų120101.7 Ų101.752%0.52256%0.563SS.*Hα-helixtrans-64-44.5173.6-69.5169.9-172.9171.70112.1P1569 E1570 L1571 H1575 I1576 A1577P1569-K1573 PolarHBondContact O-N 2.78Å; E1570-K1573 PolarHBondContact O-N 3.16Å; E1570-K1573 IonicContact OE1-NZ 3.12Å; E1570-K1573 PolarHBondContact OE1-NZ 2.81Å; E1570-K1573 WeakPolarHBondContact OE2-CD 3.35Å; E1570-K1573 IonicContact OE2-NZ 2.84Å; E1570-K1573 PolarHBondContact OE2-NZ 3.22Å; L1571-K1573 VanDerWaalsContact C-N 3.35Å; L1571-K1573 PolarHBondContact O-N 3.02Å; K1573-H1575 VanDerWaalsContact C-N 3.33Å; K1573-I1576 PolarHBondContact O-N 2.91Å; K1573-A1577 PolarHBondContact O-N 2.92Å; K1573-A1577 VanDerWaalsContact O-N 3.12Å
1574V33.5Very low35.1Very low82 Ų82105.3 Ų105.350%0.49757%0.568SS.*Hα-helixtrans-66.4-38.1175.8178.90000110.5E1570 L1571 A1577 I1578E1570-V1574 PolarHBondContact O-N 2.98Å; L1571-V1574 PolarHBondContact O-N 3.09Å; V1574-A1577 PolarHBondContact O-N 3.32Å; V1574-I1578 HydrophobicContact CG1-CD1 3.76Å; V1574-I1578 HydrophobicContact CG1-CG1 4.44Å; V1574-I1578 WeakPolarHBondContact O-CG1 3.28Å; V1574-I1578 PolarHBondContact O-N 3.31Å
1575H33.1Very low34.2Very low73 Ų73101.2 Ų101.234%0.33856%0.56SS.*Hα-helixtrans-72.3-34.5178.8-140.582.5000113.2F1542 L1571 L1572 K1573 A1577 I1578 V1579F1542-H1575 AromaticContact CE2-CD2 3.9Å; F1542-H1575 AromaticContact CE2-CE1 3.7Å; F1542-H1575 AromaticContact CE2-NE2 3.22Å; F1542-H1575 WeakPolarHBondContact CE2-NE2 3.4Å; F1542-H1575 AromaticContact CZ-CE1 3.92Å; F1542-H1575 AromaticContact CZ-NE2 3.23Å; F1542-H1575 WeakPolarHBondContact CZ-NE2 3.25Å; L1571-H1575 WeakPolarHBondContact O-CB 3.4Å; L1571-H1575 PolarHBondContact O-N 2.78Å; L1572-H1575 PolarHBondContact O-N 2.84Å; K1573-H1575 VanDerWaalsContact C-N 3.33Å; H1575-A1577 VanDerWaalsContact C-N 3.31Å; H1575-A1577 PolarHBondContact O-N 3.17Å; H1575-I1578 PolarHBondContact O-N 2.96Å; H1575-V1579 WeakPolarHBondContact CD2-CG2 3.47Å; H1575-V1579 WeakPolarHBondContact NE2-CG2 3.05Å; H1575-V1579 WeakPolarHBondContact O-CB 3.13Å; H1575-V1579 WeakPolarHBondContact O-CG2 3.24Å; H1575-V1579 PolarHBondContact O-N 2.76Å
1576I34.4Very low33.3Very low111 Ų11199 Ų9957%0.56955%0.55SS**Hα-helixtrans-61.7-39.9169.4-73.2163.9000110.4L1572 K1573 A1580L1572-I1576 HydrophobicContact CG-CD1 4.35Å; L1572-I1576 WeakPolarHBondContact O-CB 3.32Å; L1572-I1576 WeakPolarHBondContact O-CD1 3.44Å; L1572-I1576 WeakPolarHBondContact O-CG1 3.48Å; L1572-I1576 PolarHBondContact O-N 3.21Å; K1573-I1576 PolarHBondContact O-N 2.91Å; I1576-A1580 WeakPolarHBondContact O-CB 3.39Å; I1576-A1580 PolarHBondContact O-N 3.28Å
1577A31.9Very low32.7Very low66 Ų6695.2 Ų95.255%0.54554%0.535SS..Hα-helixtrans-68.1-36.5174.700000113.4K1573 V1574 H1575 G1581K1573-A1577 PolarHBondContact O-N 2.92Å; K1573-A1577 VanDerWaalsContact O-N 3.12Å; V1574-A1577 PolarHBondContact O-N 3.32Å; H1575-A1577 VanDerWaalsContact C-N 3.31Å; H1575-A1577 PolarHBondContact O-N 3.17Å; A1577-G1581 PolarHBondContact O-N 3.04Å; A1577-G1581 VanDerWaalsContact O-N 3.08Å
1578I33.2Very low31.9Very low90 Ų9097.5 Ų97.546%0.46254%0.535SS..Hα-helixtrans-80.9-36-178.2-69.4174.5000112.4V1574 H1575 G1581 T1582V1574-I1578 HydrophobicContact CG1-CD1 3.76Å; V1574-I1578 HydrophobicContact CG1-CG1 4.44Å; V1574-I1578 WeakPolarHBondContact O-CG1 3.28Å; V1574-I1578 PolarHBondContact O-N 3.31Å; H1575-I1578 PolarHBondContact O-N 2.96Å; I1578-G1581 PolarHBondContact O-N 2.4Å; I1578-T1582 PolarHBondContact O-N 3.38Å; I1578-T1582 PolarHBondContact O-OG1 2.89Å
1579V30.9Very low31.5Very low76 Ų7697.3 Ų97.346%0.46154%0.539SS..Hα-helixtrans-78.6-24.5175.7174.40000112.3H1575H1575-V1579 WeakPolarHBondContact CD2-CG2 3.47Å; H1575-V1579 WeakPolarHBondContact NE2-CG2 3.05Å; H1575-V1579 WeakPolarHBondContact O-CB 3.13Å; H1575-V1579 WeakPolarHBondContact O-CG2 3.24Å; H1575-V1579 PolarHBondContact O-N 2.76Å
1580A33.4Very low31.1Very low64 Ų6497 Ų9753%0.52954%0.543SS..Hα-helixtrans-78.9-23.116600000113.2I1576I1576-A1580 WeakPolarHBondContact O-CB 3.39Å; I1576-A1580 PolarHBondContact O-N 3.28Å
1581G35.1Very low30.7Very low45 Ų4597.2 Ų97.246%0.46455%0.554SS.*Hα-helixtrans-88.6-20.6179.200000115.3A1577 I1578A1577-G1581 PolarHBondContact O-N 3.04Å; A1577-G1581 VanDerWaalsContact O-N 3.08Å; I1578-G1581 PolarHBondContact O-N 2.4Å
1582T28.2Very low30.4Very low85 Ų8596.8 Ų96.852%0.52156%0.557SS.*SBendtrans-119.6163-179.761.20000111.3I1578I1578-T1582 PolarHBondContact O-N 3.38Å; I1578-T1582 PolarHBondContact O-OG1 2.89Å
1583S26.3Very low29.9Very low92 Ų9298.5 Ų98.564%0.64358%0.576SS**  trans-87.6130.5-163.7-63.10000114.9
1584R28.3Very low29.6Very low209 Ų20995.9 Ų95.979%0.78958%0.583SS**  trans109.8133.4152.2-61.1175.3169.4176.9-3.5118.4
1585L26.7Very low29.2Very low109 Ų10997.4 Ų97.457%0.57160%0.597SS**  trans97.9123135.8-127.676000120W1550W1550-L1585 HydrophobicContact CZ2-CD2 3.82Å; W1550-L1585 HydrophobicContact CZ2-CG 4.14Å
1586V27.2Very low28.9Very low54 Ų54100.6 Ų100.633%0.32761%0.612SS.*  trans133.497.9132.6-178.40000118.8S1549 W1550S1549-V1586 VanDerWaalsContact OG-CG1 3.3Å; S1549-V1586 WeakPolarHBondContact OG-CG1 3.25Å; W1550-V1586 HydrophobicContact CZ2-CG2 4.44Å
1587I28.1Very low28.6Very low104 Ų104103.2 Ų103.253%0.53362%0.619SS.*  66.8142.8127.4-60.9176.3000123.1W1550W1550-I1587 HydrophobicContact CD2-CD1 3.54Å; W1550-I1587 HydrophobicContact CE3-CD1 3.54Å; W1550-I1587 HydrophobicContact CG-CD1 4.07Å; W1550-I1587 HydrophobicContact CH2-CD1 4.11Å; W1550-I1587 HydrophobicContact CZ2-CD1 4.11Å; W1550-I1587 HydrophobicContact CZ3-CD1 3.84Å
1588M25.6Very low28.3Very low161 Ų161105 Ų10579%0.79363%0.628SS**  trans-96.6177.6-179.9-44.5171.66500111.8
1589P30.9Very low28.1Very low78 Ų78105.7 Ų105.751%0.50664%0.641SS.*  -157.4143.967.240.2-17.4000120.4S1554S1554-P1589 VanDerWaalsContact OG-CG 3.32Å; S1554-P1589 WeakPolarHBondContact OG-CG 3.24Å
1590A25.9Very low28Very low75 Ų75107.5 Ų107.562%0.6266%0.657SS**  65.7153.412800000124.9
1591T27.3Very low27.7Very low130 Ų130108.6 Ų108.680%0.79866%0.66SS**  trans71.5137.6164.9700000117.6
1592T27.9Very low27.5Very low123 Ų123117 Ų11776%0.75568%0.678SS**  cis-159.3152.7-108.10000111.7
1593S25.5Very low27.7Very low121 Ų121121.6 Ų121.685%0.84669%0.691SS**  trans49.7124.7149.163.30000122.6
1594G29.5Very low27.8Very low65 Ų65122.7 Ų122.767%0.6770%0.699SS**  trans152.5102.6159.300000111.4
1595S25.1Very low27.9Very low114 Ų114116.5 Ų116.580%0.79769%0.692SS**  58.7125.78569.40000113.4
1596E26.2Very low28Very low141 Ų141122.2 Ų122.266%0.65971%0.706SS**  cis-172.2156.411-122.1-174.4159.300111.6
1597K27.9Very low28.1Very low165 Ų165128.6 Ų128.672%0.71773%0.725SS**  trans61.7170.1152.4-65.5160-175.7153.40117.4
1598S25.6Very low28.2Very low105 Ų105132.4 Ų132.473%0.73474%0.74SS**  cis-172.6152.9-41.961.90000109.1
1599S27.8Very low28.5Very low103 Ų103127.9 Ų127.972%0.7273%0.734SS**  cis-174175.9-2163.80000110.2
1600S29.8Very low28.5Very low114 Ų114132.8 Ų132.880%0.79775%0.748SS**  trans76.9158.9164.2940000117.7
1601S28Very low28.6Very low87 Ų87132.8 Ų132.861%0.60875%0.748SS**  cis-161.4150.4-1.9-147.70000113.1
1602R30.7Very low28.7Very low222 Ų222133.3 Ų133.384%0.83874%0.744SS**  trans67.2144.7159.2-62.8153.6-174.3-171.20.5116.6
1603K31.5Very low28.8Very low182 Ų182131.4 Ų131.479%0.79174%0.741SS**  cis-153.3131.6-5.5-105.5166.4179.6-175.70105.8
1604S28.8Very low28.9Very low115 Ų115131 Ų13180%0.80473%0.733SS**  61.1133.685.4176.40000115.4
1605A29.2Very low28.9Very low79 Ų79138.8 Ų138.865%0.65374%0.743SS**  cis-178.3172.6-14.600000109.6
1606R30.4Very low28.9Very low229 Ų229142.1 Ų142.186%0.86475%0.746SS**  trans68.9158.6159.4-70.9-176175-178-3.1118.1
1607R28.6Very low29.1Very low188 Ų188140.3 Ų140.371%0.70976%0.755SS**  cis-174.5171.5-40.8-121-178.7-172.4177.92.1107.8
1608E31.2Very low29.2Very low184 Ų184136.1 Ų136.186%0.8676%0.758SS**  trans68.8143.6166-66.7145.6-128.200117.3
1609G31.3Very low29.6Very low65 Ų65138.9 Ų138.967%0.6776%0.763SS**  cis171.4151.5-11.700000114.6
1610K31.4Very low29.7Very low181 Ų181142 Ų14279%0.78777%0.772SS**  trans70.3134.8175.5-51.7168-173.81700114.2
1611A27.1Very low29.9Very low76 Ų76139.9 Ų139.963%0.62877%0.768SS**  cis78.612925.700000113.1
1612I29.8Very low30.1Very low141 Ų141144 Ų14472%0.72378%0.782SS**  -160132.773.4-85.5149.3000107
1613A29Very low30.2Very low82 Ų82142.6 Ų142.668%0.67879%0.785SS**  58.6147.57900000113.5
1614T28.7Very low30.1Very low113 Ų113139.5 Ų139.569%0.69378%0.782SS**  cis-152.8179.4-1.71.80000106.7
1615W28.4Very low30.2Very low229 Ų229138 Ų13887%0.86778%0.784SS**  -167.214155.7-87.872.4000110.7
1616E26.4Very low30Very low183 Ų183137.4 Ų137.486%0.85579%0.786SS**  trans-95.1158.9148.6-69.4179.8121.300108.4
1617A28.6Very low29.7Very low104 Ų104134.6 Ų134.686%0.8679%0.788SS**  trans-99.9144.3176.700000111.2
1618G31.1Very low29.6Very low76 Ų76129.9 Ų129.978%0.78479%0.789SS**  trans169.674.3176.100000115.7
1619I32.8Very low29.5Very low163 Ų163126 Ų12684%0.83678%0.783SS**  trans-139.8119.1157.7-66-174.7000107.8
1620D30.5Very low29.2Very low170 Ų170129 Ų12991%0.90979%0.788SS**  trans-75.5129.4157.9-76.8-53.6000108.5
1621G34.4Very low29.2Very low69 Ų69125.8 Ų125.871%0.71179%0.786SS**  trans-95.6157.3-176.500000113.6
1622L31.3Very low29.2Very low173 Ų173129.6 Ų129.691%0.90680%0.795SS**  trans-145.8113.9160.5-154.980.2000110.1
1623E32.7Very low29.3Very low192 Ų192134.2 Ų134.290%0.89780%0.804SS**  trans-112.2132.6167.3-73.6-168.4151.200109.9
1624T30.1Very low29.3Very low118 Ų118142.1 Ų142.172%0.72482%0.816SS**  trans-158.9138.3143.224.20000107.6
1625G31Very low29.6Very low82 Ų82147 Ų14785%0.84582%0.824SS**  trans108.3114.3-177.100000112.9
1626G25.4Very low30.6Very low68 Ų68141.3 Ų141.370%0.70182%0.816SS**  trans-100.3-177.8179.900000114.5
1627N24.1Very low31.9Very low169 Ų169142 Ų14290%0.90481%0.811SS**  trans87.1146.3176.6-57.1-27.2000117.6
1628A26.1Very low33.9Very low89 Ų89139.2 Ų139.274%0.73679%0.788SS**  trans66.983.3164.900000119.3
1629S28.4Very low36.3Very low103 Ų103138.6 Ų138.672%0.7276%0.763SS**  37.2120.5124.760.40000121.4
1630T26.9Very low38.8Very low128 Ų128135.3 Ų135.379%0.78574%0.743SS**  14.4135.9129.354.80000118.9
1631P30.1Very low41.7Very low114 Ų114127.2 Ų127.274%0.7470%0.7SS**  -152.8160.156.440.8-21.1000119.7
1632N27.9Very low44.4Very low155 Ų155126.9 Ų126.983%0.82968%0.677SS**  trans19.2115.4149-78.9-54.3000120.9
1633R30.8Very low47.4Very low239 Ų239118.7 Ų118.790%0.90263%0.634SS**  trans-133.3140134.7-101.1-175.6174.1-171.7-1.4110.4
1634R29.4Very low50.2Low247 Ų247109.9 Ų109.993%0.93259%0.592SS**PPolyproline II helixtrans-79.6128.8-177.1-65.7174.6177.3160.6-1.5110.6
1635Y34.6Very low53.2Low217 Ų217106.3 Ų106.385%0.85157%0.566SS**PPolyproline II helixtrans-85.1151165.4-70.8-79.5000111.2
1636P49.5Very low56Low109 Ų109103.1 Ų103.171%0.70853%0.529SS*.PPolyproline II helixtrans-67.8154.8179.8-19.333.2000113.3
1637R55.3Low58.6Low198 Ų198100.1 Ų100.175%0.74750%0.499SS*.PPolyproline II helixtrans-70.4142.9167.7-104.6-178167.4139.71.3110.6
1638A69.8Low61.3Low45 Ų4592.7 Ų92.737%0.37246%0.459SS..PPolyproline II helixtrans-57133.8166.900000111L1658 P1659A1638-L1658 CarbonylContact C-O 3.49Å; A1638-L1658 VanDerWaalsContact CA-O 3.3Å; A1638-L1658 WeakPolarHBondContact CA-O 3.4Å; A1638-L1658 WeakPolarHBondContact CB-O 3.34Å; A1638-P1659 HydrophobicContact CB-CB 4.41Å
1639K81.3Confident63.6Low63 Ų6391.1 Ų91.127%0.27444%0.436SS..EExtended strand (participates in β ladder)trans-76.6131.7175.7-60.2-169.2179.4-170.10109.2V1641 L1658 S1703 L1705 D1706 D1707K1639-V1641 HydrophobicContact CB-CG2 4.37Å; K1639-L1658 HydrophobicContact CB-CB 4.43Å; K1639-L1658 PolarHBondContact N-O 3.18Å; K1639-L1658 VanDerWaalsContact N-O 3.1Å; K1639-L1658 WeakPolarHBondContact O-CB 3.48Å; K1639-L1658 PolarHBondContact O-N 3.38Å; K1639-S1703 PolarHBondContact NZ-O 3Å; K1639-S1703 VanDerWaalsContact NZ-O 3.15Å; K1639-L1705 WeakPolarHBondContact CD-O 3.47Å; K1639-L1705 VanDerWaalsContact CE-O 3.31Å; K1639-L1705 WeakPolarHBondContact CE-O 2.88Å; K1639-L1705 PolarHBondContact NZ-O 2.73Å; K1639-D1706 IonicContact NZ-OD1 2.87Å; K1639-D1706 PolarHBondContact NZ-OD1 3.15Å; K1639-D1707 HydrophobicContact CB-CB 4.03Å; K1639-D1707 HydrophobicContact CG-CB 4.14Å
1640K85.5Confident65.5Low94 Ų9488.2 Ų88.241%0.40941%0.411SS..EExtended strand (participates in β ladder)trans-104111.5177.1-176-176.5176.3-178.70110.2W1655 D1707 G1708K1640-W1655 HydrophobicContact CD-CE3 4.28Å; K1640-W1655 HydrophobicContact CG-CE3 3.89Å; K1640-W1655 HydrophobicContact CG-CZ3 4.36Å; K1640-D1707 PolarHBondContact N-OD1 3.14Å; K1640-G1708 WeakPolarHBondContact O-CA 3.09Å; K1640-G1708 PolarHBondContact O-N 2.83Å
1641V91Very high68Low0 Ų083.8 Ų83.80%038%0.381CS..EExtended strand (participates in β ladder)trans-117.1147.1-168.3-178.20000110.2K1639 F1643 Y1656 L1658 L1705 Y1711K1639-V1641 HydrophobicContact CB-CG2 4.37Å; V1641-F1643 HydrophobicContact CB-CE2 3.99Å; V1641-F1643 HydrophobicContact CB-CZ 4.2Å; V1641-F1643 HydrophobicContact CG1-CD2 4.38Å; V1641-F1643 HydrophobicContact CG1-CE1 4.12Å; V1641-F1643 HydrophobicContact CG1-CE2 3.78Å; V1641-F1643 HydrophobicContact CG1-CZ 3.63Å; V1641-Y1656 PolarHBondContact N-O 2.93Å; V1641-Y1656 PolarHBondContact O-N 3.08Å; V1641-L1658 HydrophobicContact CB-CD1 4.22Å; V1641-L1658 HydrophobicContact CG2-CD1 3.52Å; V1641-L1658 HydrophobicContact CG2-CG 4.13Å; V1641-L1705 HydrophobicContact CG1-CD2 4.48Å; V1641-L1705 HydrophobicContact CG2-CB 4.41Å; V1641-Y1711 HydrophobicContact CG1-CD2 3.32Å; V1641-Y1711 HydrophobicContact CG1-CE2 3.6Å
1642R92.4Very high70.3Confident62 Ų6283.9 Ų83.923%0.23437%0.37CS..EExtended strand (participates in β ladder)trans-105.7127.3172.7-161.3-163.8-65.1-151.410.7111.9Y1644 K1652 V1654 W1655 E1709 S1710 Y1711R1642-Y1644 WeakPolarHBondContact CD-OH 3.34Å; R1642-Y1644 HydrophobicContact CG-CE2 4.48Å; R1642-Y1644 PolarHBondContact NH1-OH 3.07Å; R1642-K1652 PolarHBondContact NH1-O 2.92Å; R1642-V1654 CarbonylContact C-O 3.56Å; R1642-V1654 WeakPolarHBondContact CA-O 3.18Å; R1642-W1655 HydrophobicContact CB-CD2 3.97Å; R1642-W1655 HydrophobicContact CB-CE3 3.73Å; R1642-W1655 HydrophobicContact CB-CH2 4.25Å; R1642-W1655 HydrophobicContact CB-CZ2 4.48Å; R1642-W1655 HydrophobicContact CB-CZ3 3.87Å; R1642-W1655 HydrophobicContact CG-CD2 4.16Å; R1642-W1655 HydrophobicContact CG-CE3 4.4Å; R1642-W1655 HydrophobicContact CG-CG 4.42Å; R1642-E1709 PolarHBondContact N-O 2.68Å; R1642-S1710 WeakPolarHBondContact CB-OG 3.1Å; R1642-S1710 CarbonylContact O-C 3.41Å; R1642-S1710 WeakPolarHBondContact O-CA 3.18Å; R1642-Y1711 PolarHBondContact O-N 2.95Å
1643F93.8Very high73Confident0 Ų077.2 Ų77.20%034%0.337CS..EExtended strand (participates in β ladder)trans-107.8124.7176.2-64.5-78.1000111.7V1641 F1651 G1653 V1654 Y1656 L1669 L1673 L1677 V1690 L1705 Y1711 C1713V1641-F1643 HydrophobicContact CB-CE2 3.99Å; V1641-F1643 HydrophobicContact CB-CZ 4.2Å; V1641-F1643 HydrophobicContact CG1-CD2 4.38Å; V1641-F1643 HydrophobicContact CG1-CE1 4.12Å; V1641-F1643 HydrophobicContact CG1-CE2 3.78Å; V1641-F1643 HydrophobicContact CG1-CZ 3.63Å; F1643-F1651 WeakPolarHBondContact O-CE1 3.39Å; F1643-G1653 CarbonylContact O-C 3.47Å; F1643-G1653 VanDerWaalsContact O-CA 3.26Å; F1643-G1653 WeakPolarHBondContact O-CA 3.47Å; F1643-V1654 PolarHBondContact N-O 2.88Å; F1643-V1654 PolarHBondContact O-N 3.04Å; F1643-Y1656 HydrophobicContact CD2-CG 4.38Å; F1643-Y1656 HydrophobicContact CE2-CD1 4.26Å; F1643-Y1656 HydrophobicContact CE2-CG 4.41Å; F1643-L1669 HydrophobicContact CZ-CD2 4.16Å; F1643-L1673 HydrophobicContact CB-CD2 4.44Å; F1643-L1673 HydrophobicContact CD1-CD1 4.04Å; F1643-L1673 HydrophobicContact CD2-CD1 4.24Å; F1643-L1673 HydrophobicContact CD2-CD2 3.61Å; F1643-L1673 HydrophobicContact CE1-CD1 3.9Å; F1643-L1673 HydrophobicContact CE2-CD1 4.1Å; F1643-L1673 HydrophobicContact CE2-CD2 3.97Å; F1643-L1673 HydrophobicContact CG-CD1 4.21Å; F1643-L1673 HydrophobicContact CG-CD2 3.98Å; F1643-L1673 HydrophobicContact CZ-CD1 3.93Å; F1643-L1677 HydrophobicContact CB-CD1 3.77Å; F1643-V1690 HydrophobicContact CD1-CG1 4.24Å; F1643-V1690 HydrophobicContact CE1-CG1 3.91Å; F1643-L1705 HydrophobicContact CE1-CD2 4.1Å; F1643-L1705 HydrophobicContact CZ-CD1 4.09Å; F1643-L1705 HydrophobicContact CZ-CD2 4.21Å; F1643-Y1711 CarbonylContact C-O 3.59Å; F1643-Y1711 WeakPolarHBondContact CA-O 3.44Å; F1643-C1713 VanDerWaalsContact CD1-SG 3.52Å
1644Y92.1Very high75.5Confident7 Ų768 Ų683%0.02731%0.307CS..EExtended strand (participates in β ladder)trans-97.2160.3171.2-67.4-83.4000111R1642 F1651 L1693 Y1711 C1713 Y1724 V1727R1642-Y1644 WeakPolarHBondContact CD-OH 3.34Å; R1642-Y1644 HydrophobicContact CG-CE2 4.48Å; R1642-Y1644 PolarHBondContact NH1-OH 3.07Å; Y1644-F1651 WeakPolarHBondContact CD1-O 3.12Å; Y1644-L1693 HydrophobicContact CD2-CD2 4.04Å; Y1644-L1693 HydrophobicContact CE2-CD2 3.97Å; Y1644-Y1711 PolarHBondContact N-O 3.11Å; Y1644-C1713 WeakPolarHBondContact O-CB 3.31Å; Y1644-C1713 PolarHBondContact O-N 3.16Å; Y1644-Y1724 HydrophobicContact CD1-CD1 4.41Å; Y1644-Y1724 WeakPolarHBondContact CE1-O 2.97Å; Y1644-Y1724 HydrophobicContact CG-CD1 4.23Å; Y1644-Y1724 HydrophobicContact CG-CG 4.42Å; Y1644-Y1724 PolarHBondContact OH-O 3.03Å; Y1644-V1727 HydrophobicContact CE1-CG2 4.26Å
1645R91.1Very high78.3Confident43 Ų4361.3 Ų61.316%0.16228%0.282CS..EExtended strand (participates in β ladder)trans-92.7127.6172-65.4-178174.5147.21.6109.8G1647 D1648 F1651 L1677 D1679 N1682 L1683 Y1724R1645-G1647 PolarHBondContact O-N 2.9Å; R1645-D1648 HydrophobicContact CB-CB 4.04Å; R1645-D1648 PolarHBondContact O-N 3.34Å; R1645-F1651 HydrophobicContact CB-CD1 4.28Å; R1645-F1651 HydrophobicContact CG-CD1 3.91Å; R1645-F1651 HydrophobicContact CG-CD2 4.48Å; R1645-F1651 HydrophobicContact CG-CE1 3.87Å; R1645-F1651 HydrophobicContact CG-CE2 4.47Å; R1645-F1651 HydrophobicContact CG-CG 4.2Å; R1645-F1651 HydrophobicContact CG-CZ 4.16Å; R1645-L1677 PolarHBondContact NE-O 2.77Å; R1645-L1677 PolarHBondContact NH2-O 2.77Å; R1645-D1679 WeakPolarHBondContact CD-OD2 3.35Å; R1645-D1679 IonicContact CZ-OD2 2.74Å; R1645-D1679 IonicContact NE-OD2 2.79Å; R1645-D1679 PolarHBondContact NE-OD2 2.89Å; R1645-D1679 IonicContact NH1-OD2 3.25Å; R1645-D1679 PolarHBondContact NH1-OD2 3.12Å; R1645-D1679 IonicContact NH2-OD2 2.73Å; R1645-N1682 HydrophobicContact CB-CB 4.02Å; R1645-L1683 HydrophobicContact CB-CD1 4.41Å; R1645-L1683 HydrophobicContact CB-CG 4.49Å; R1645-L1683 HydrophobicContact CG-CD1 3.85Å; R1645-L1683 HydrophobicContact CG-CG 4.36Å; R1645-Y1724 WeakPolarHBondContact O-CE1 3.4Å
1646N89.9Confident80.7Confident15 Ų1551.9 Ų51.98%0.0825%0.245CC..THydrogen-bonded Turntrans-58.8121.2-179.9-176.343.6000110.6V1712 C1713 S1714 C1718 K1720 Y1724N1646-V1712 HydrophobicContact CB-CG1 3.77Å; N1646-C1713 WeakPolarHBondContact CA-O 3.18Å; N1646-C1713 WeakPolarHBondContact CB-O 3.43Å; N1646-C1713 PolarHBondContact N-O 3.37Å; N1646-S1714 PolarHBondContact ND2-OG 3.28Å; N1646-C1718 PolarHBondContact ND2-O 3.32Å; N1646-K1720 PolarHBondContact OD1-N 3.04Å; N1646-Y1724 WeakPolarHBondContact CA-OH 3.44Å; N1646-Y1724 PolarHBondContact OD1-OH 3.28Å
1647G81.8Confident82.3Confident6 Ų650.1 Ų50.16%0.06223%0.234CC..THydrogen-bonded Turntrans92.4-14.5-177.500000116.5R1645 Q1649 I1722 Y1724R1645-G1647 PolarHBondContact O-N 2.9Å; G1647-Q1649 PolarHBondContact O-N 3.3Å; G1647-I1722 WeakPolarHBondContact O-CD1 3.15Å; G1647-Y1724 PolarHBondContact N-OH 3.49Å
1648D80.3Confident83.6Confident12 Ų1241 Ų416%0.06420%0.2CC..  trans-93.593.1178.4-161.1-23.4000111.8R1645 F1650 F1651 N1682R1645-D1648 HydrophobicContact CB-CB 4.04Å; R1645-D1648 PolarHBondContact O-N 3.34Å; D1648-F1650 PolarHBondContact O-N 3.24Å; D1648-F1650 WeakPolarHBondContact OD1-CA 3.34Å; D1648-F1650 VanDerWaalsContact OD1-CB 3.3Å; D1648-F1650 WeakPolarHBondContact OD1-CB 3.38Å; D1648-F1650 PolarHBondContact OD1-N 3.01Å; D1648-F1651 HydrophobicContact CB-CB 3.81Å; D1648-F1651 VanDerWaalsContact CG-CB 3.5Å; D1648-F1651 PolarHBondContact OD1-N 3.23Å; D1648-N1682 HydrophobicContact CB-CB 4.44Å; D1648-N1682 PolarHBondContact OD2-ND2 2.79Å; D1648-N1682 VanDerWaalsContact OD2-ND2 3.16Å
1649Q74.7Confident83.9Confident56 Ų5640.2 Ų40.226%0.26219%0.191SC..SBendtrans-71.6-3173.271.4-177.1-60.100113.7G1647 I1722 V1727G1647-Q1649 PolarHBondContact O-N 3.3Å; Q1649-I1722 HydrophobicContact CB-CB 4.32Å; Q1649-I1722 HydrophobicContact CB-CD1 3.79Å; Q1649-I1722 HydrophobicContact CB-CG2 4.39Å; Q1649-V1727 WeakPolarHBondContact O-CA 3.34Å; Q1649-V1727 WeakPolarHBondContact O-CG1 3.48Å
1650F68.1Low83.2Confident42 Ų4240.9 Ų40.918%0.18421%0.208CC..SBendtrans-108.4-18.4-176-53.1-81.7000111.9D1648 K1652 V1727 R1728 P1730 R1801D1648-F1650 PolarHBondContact O-N 3.24Å; D1648-F1650 WeakPolarHBondContact OD1-CA 3.34Å; D1648-F1650 VanDerWaalsContact OD1-CB 3.3Å; D1648-F1650 WeakPolarHBondContact OD1-CB 3.38Å; D1648-F1650 PolarHBondContact OD1-N 3.01Å; F1650-K1652 PolarHBondContact O-N 3.24Å; F1650-V1727 WeakPolarHBondContact O-CG1 3.43Å; F1650-R1728 WeakPolarHBondContact CD1-O 3.39Å; F1650-R1728 WeakPolarHBondContact CE1-O 3.41Å; F1650-P1730 HydrophobicContact CD1-CB 4.4Å; F1650-P1730 HydrophobicContact CE1-CB 4.14Å; F1650-R1801 VanDerWaalsContact CD1-O 3.32Å; F1650-R1801 WeakPolarHBondContact CD1-O 3.47Å; F1650-R1801 WeakPolarHBondContact CG-O 3.5Å
1651F78.8Confident82.3Confident35 Ų3542.6 Ų42.615%0.15422%0.222CC..  trans-71.2115.2172.5-171.8-107.9000111F1643 Y1644 R1645 D1648 G1653 V1654 L1677F1643-F1651 WeakPolarHBondContact O-CE1 3.39Å; Y1644-F1651 WeakPolarHBondContact CD1-O 3.12Å; R1645-F1651 HydrophobicContact CB-CD1 4.28Å; R1645-F1651 HydrophobicContact CG-CD1 3.91Å; R1645-F1651 HydrophobicContact CG-CD2 4.48Å; R1645-F1651 HydrophobicContact CG-CE1 3.87Å; R1645-F1651 HydrophobicContact CG-CE2 4.47Å; R1645-F1651 HydrophobicContact CG-CG 4.2Å; R1645-F1651 HydrophobicContact CG-CZ 4.16Å; D1648-F1651 HydrophobicContact CB-CB 3.81Å; D1648-F1651 VanDerWaalsContact CG-CB 3.5Å; D1648-F1651 PolarHBondContact OD1-N 3.23Å; F1651-G1653 PolarHBondContact O-N 3.27Å; F1651-V1654 HydrophobicContact CE1-CG2 4.34Å; F1651-V1654 HydrophobicContact CZ-CG2 3.69Å; F1651-L1677 HydrophobicContact CE1-CD2 3.83Å; F1651-L1677 HydrophobicContact CZ-CD2 3.55Å
1652K78.2Confident81.3Confident117 Ų11748.7 Ų48.751%0.50925%0.245SC..  trans-69.6-0.2-176.4-69.2178.9-178.7-176.70115R1642 F1650 V1727 E1729R1642-K1652 PolarHBondContact NH1-O 2.92Å; F1650-K1652 PolarHBondContact O-N 3.24Å; K1652-V1727 HydrophobicContact CG-CB 4.33Å; K1652-V1727 HydrophobicContact CG-CG1 3.72Å; K1652-V1727 HydrophobicContact CG-CG2 4.37Å; K1652-E1729 IonicContact NZ-OE1 2.82Å; K1652-E1729 PolarHBondContact NZ-OE1 3.41Å
1653G83.6Confident80.5Confident15 Ų1546.2 Ų46.216%0.15524%0.236CC..  trans76.8137.2-17900000112.8F1643 F1651F1643-G1653 CarbonylContact O-C 3.47Å; F1643-G1653 VanDerWaalsContact O-CA 3.26Å; F1643-G1653 WeakPolarHBondContact O-CA 3.47Å; F1651-G1653 PolarHBondContact O-N 3.27Å
1654V84.6Confident79.4Confident44 Ų4457.4 Ų57.427%0.26728%0.278SS..EExtended strand (participates in β ladder)trans-88.6124.8176.51650000109.5R1642 F1643 F1651 Y1656 V1676 L1677R1642-V1654 CarbonylContact C-O 3.56Å; R1642-V1654 WeakPolarHBondContact CA-O 3.18Å; F1643-V1654 PolarHBondContact N-O 2.88Å; F1643-V1654 PolarHBondContact O-N 3.04Å; F1651-V1654 HydrophobicContact CE1-CG2 4.34Å; F1651-V1654 HydrophobicContact CZ-CG2 3.69Å; V1654-Y1656 HydrophobicContact CG1-CD2 4.14Å; V1654-V1676 HydrophobicContact CG1-CG1 4.11Å; V1654-L1677 HydrophobicContact CB-CD2 4.03Å; V1654-L1677 HydrophobicContact CG2-CD2 3.93Å
1655W88Confident78.8Confident107 Ų10759.1 Ų59.141%0.40529%0.291SS..EExtended strand (participates in β ladder)trans-75126.2166.6-78.4111.7000110K1640 R1642K1640-W1655 HydrophobicContact CD-CE3 4.28Å; K1640-W1655 HydrophobicContact CG-CE3 3.89Å; K1640-W1655 HydrophobicContact CG-CZ3 4.36Å; R1642-W1655 HydrophobicContact CB-CD2 3.97Å; R1642-W1655 HydrophobicContact CB-CE3 3.73Å; R1642-W1655 HydrophobicContact CB-CH2 4.25Å; R1642-W1655 HydrophobicContact CB-CZ2 4.48Å; R1642-W1655 HydrophobicContact CB-CZ3 3.87Å; R1642-W1655 HydrophobicContact CG-CD2 4.16Å; R1642-W1655 HydrophobicContact CG-CE3 4.4Å; R1642-W1655 HydrophobicContact CG-CG 4.42Å
1656Y85.5Confident78.6Confident19 Ų1958.1 Ų58.18%0.07529%0.288CS..EExtended strand (participates in β ladder)trans-129.4122.7-173.1-146.8-116000110.2V1641 F1643 V1654 L1658 F1663 L1669 D1672 L1673 V1676V1641-Y1656 PolarHBondContact N-O 2.93Å; V1641-Y1656 PolarHBondContact O-N 3.08Å; F1643-Y1656 HydrophobicContact CD2-CG 4.38Å; F1643-Y1656 HydrophobicContact CE2-CD1 4.26Å; F1643-Y1656 HydrophobicContact CE2-CG 4.41Å; V1654-Y1656 HydrophobicContact CG1-CD2 4.14Å; Y1656-L1658 HydrophobicContact CD1-CD2 4.03Å; Y1656-F1663 HydrophobicContact CE1-CE2 4.04Å; Y1656-F1663 AromaticContact CE1-CZ 3.62Å; Y1656-F1663 HydrophobicContact CE1-CZ 3.62Å; Y1656-L1669 HydrophobicContact CD1-CD1 3.88Å; Y1656-L1669 HydrophobicContact CE1-CD1 3.71Å; Y1656-D1672 WeakPolarHBondContact OH-CB 3.24Å; Y1656-D1672 PolarHBondContact OH-OD2 3.32Å; Y1656-L1673 HydrophobicContact CD1-CD2 3.94Å; Y1656-L1673 HydrophobicContact CE1-CD2 4.05Å; Y1656-L1673 HydrophobicContact CG-CD2 4.19Å; Y1656-V1676 HydrophobicContact CE2-CB 4.34Å; Y1656-V1676 HydrophobicContact CE2-CG1 4.11Å; Y1656-V1676 HydrophobicContact CE2-CG2 3.99Å
1657P83.5Confident78.4Confident72 Ų7262.5 Ų62.547%0.46831%0.311SS..EExtended strand (participates in β ladder)trans-75.9137.7171.331.7-31.7000109.8P1659P1657-P1659 VanDerWaalsContact C-CD 3.47Å; P1657-P1659 VanDerWaalsContact O-CD 3.29Å; P1657-P1659 WeakPolarHBondContact O-CD 3.26Å
1658L81.9Confident78.5Confident7 Ų764.7 Ų64.74%0.03732%0.323CS..EExtended strand (participates in β ladder)trans-11384.6170.2-54.8179.7000108.9A1638 K1639 V1641 Y1656 F1663 L1669 L1705A1638-L1658 CarbonylContact C-O 3.49Å; A1638-L1658 VanDerWaalsContact CA-O 3.3Å; A1638-L1658 WeakPolarHBondContact CA-O 3.4Å; A1638-L1658 WeakPolarHBondContact CB-O 3.34Å; K1639-L1658 HydrophobicContact CB-CB 4.43Å; K1639-L1658 PolarHBondContact N-O 3.18Å; K1639-L1658 VanDerWaalsContact N-O 3.1Å; K1639-L1658 WeakPolarHBondContact O-CB 3.48Å; K1639-L1658 PolarHBondContact O-N 3.38Å; V1641-L1658 HydrophobicContact CB-CD1 4.22Å; V1641-L1658 HydrophobicContact CG2-CD1 3.52Å; V1641-L1658 HydrophobicContact CG2-CG 4.13Å; Y1656-L1658 HydrophobicContact CD1-CD2 4.03Å; L1658-F1663 HydrophobicContact CD2-CD2 3.83Å; L1658-F1663 HydrophobicContact CD2-CE2 3.79Å; L1658-L1669 HydrophobicContact CD1-CD2 4.35Å; L1658-L1669 HydrophobicContact CD2-CD1 3.45Å; L1658-L1669 VanDerWaalsContact CD2-CD1 3.45Å; L1658-L1669 HydrophobicContact CD2-CD2 3.78Å; L1658-L1669 HydrophobicContact CD2-CG 4.25Å; L1658-L1705 HydrophobicContact CD1-CB 3.95Å; L1658-L1705 HydrophobicContact CD1-CD1 3.68Å; L1658-L1705 HydrophobicContact CD1-CG 4.47Å
1659P75.5Confident78.9Confident28 Ų2864.1 Ų64.118%0.18232%0.32CS..  trans-61.3134.1165.4-15.529.4000109.5A1638 P1657 D1661 R1662A1638-P1659 HydrophobicContact CB-CB 4.41Å; P1657-P1659 VanDerWaalsContact C-CD 3.47Å; P1657-P1659 VanDerWaalsContact O-CD 3.29Å; P1657-P1659 WeakPolarHBondContact O-CD 3.26Å; P1659-D1661 WeakPolarHBondContact CB-OD1 3.3Å; P1659-D1661 PolarHBondContact O-N 3.42Å; P1659-D1661 VanDerWaalsContact O-N 3.12Å; P1659-R1662 HydrophobicContact CB-CB 3.77Å; P1659-R1662 HydrophobicContact CG-CB 3.81Å; P1659-R1662 PolarHBondContact O-N 2.8Å
1660A66.8Low79.6Confident78 Ų7862.4 Ų62.465%0.64531%0.313SS*.THydrogen-bonded Turntrans-66.5-12.4-177.200000113.4
1661D66.7Low80.3Confident129 Ų12966.9 Ų66.969%0.6934%0.335SS*.THydrogen-bonded Turntrans-100-27.7179.255.2-45.5000113.3P1659P1659-D1661 WeakPolarHBondContact CB-OD1 3.3Å; P1659-D1661 PolarHBondContact O-N 3.42Å; P1659-D1661 VanDerWaalsContact O-N 3.12Å
1662R69.3Low80.6Confident129 Ų12966.4 Ų66.449%0.48733%0.334SS..THydrogen-bonded Turntrans-79.1-34.4-175.8-170.9170.6-171.8-96.3-11.1113.5P1659 D1672P1659-R1662 HydrophobicContact CB-CB 3.77Å; P1659-R1662 HydrophobicContact CG-CB 3.81Å; P1659-R1662 PolarHBondContact O-N 2.8Å; R1662-D1672 IonicContact CZ-OD2 2.76Å; R1662-D1672 IonicContact NH1-OD2 2.79Å; R1662-D1672 PolarHBondContact NH1-OD2 2.62Å; R1662-D1672 IonicContact NH2-OD2 3.31Å; R1662-D1672 PolarHBondContact NH2-OD2 2.93Å
1663F75.6Confident81Confident9 Ų960.9 Ų60.94%0.03931%0.309CS..  trans-115.9100-178.6-61.1-66.4000110.4Y1656 L1658 S1665 L1669 D1672 L1702Y1656-F1663 HydrophobicContact CE1-CE2 4.04Å; Y1656-F1663 AromaticContact CE1-CZ 3.62Å; Y1656-F1663 HydrophobicContact CE1-CZ 3.62Å; L1658-F1663 HydrophobicContact CD2-CD2 3.83Å; L1658-F1663 HydrophobicContact CD2-CE2 3.79Å; F1663-S1665 VanDerWaalsContact C-N 3.34Å; F1663-L1669 HydrophobicContact CB-CB 4.49Å; F1663-L1669 HydrophobicContact CD1-CB 4.01Å; F1663-L1669 HydrophobicContact CD1-CD1 4.35Å; F1663-L1669 HydrophobicContact CD2-CD1 4.3Å; F1663-L1669 HydrophobicContact CE1-CB 4.44Å; F1663-L1669 HydrophobicContact CE1-CD1 4.1Å; F1663-L1669 HydrophobicContact CE2-CD1 4.04Å; F1663-L1669 HydrophobicContact CG-CB 4.19Å; F1663-L1669 HydrophobicContact CG-CD1 4.44Å; F1663-L1669 HydrophobicContact CZ-CD1 3.92Å; F1663-D1672 HydrophobicContact CE1-CB 3.84Å; F1663-D1672 HydrophobicContact CZ-CB 4.27Å; F1663-L1702 HydrophobicContact CB-CD1 3.93Å; F1663-L1702 HydrophobicContact CB-CD2 3.97Å; F1663-L1702 WeakPolarHBondContact O-CD2 3.45Å
1664R71.6Confident81.2Confident236 Ų23662.6 Ų62.689%0.89132%0.315SS*.SBendtrans-81.6-14-178.9-65.9-171179.1-147.11.6113.7T1668R1664-T1668 PolarHBondContact N-OG1 3.12Å
1665S79.6Confident81Confident42 Ų4270.8 Ų70.829%0.29434%0.341SS..SBendtrans-144.4163.7177.864.20000110.4F1663 D1667 T1668 L1669F1663-S1665 VanDerWaalsContact C-N 3.34Å; S1665-D1667 VanDerWaalsContact C-N 3.27Å; S1665-D1667 PolarHBondContact O-N 2.97Å; S1665-T1668 PolarHBondContact N-OG1 2.79Å; S1665-T1668 VanDerWaalsContact N-OG1 3.11Å; S1665-T1668 PolarHBondContact O-N 2.96Å; S1665-T1668 PolarHBondContact O-OG1 2.88Å; S1665-T1668 PolarHBondContact OG-N 2.98Å; S1665-T1668 PolarHBondContact OG-OG1 3.02Å; S1665-L1669 PolarHBondContact O-N 3.4Å
1666F87.2Confident80.6Confident23 Ų2368.6 Ų68.610%0.10134%0.34CS..Hα-helixtrans-65.2-34.3170-166.1-110.4000111.4T1668 L1669 L1670 V1690 I1699 Q1700 L1705F1666-T1668 PolarHBondContact O-N 3.4Å; F1666-L1669 HydrophobicContact CE2-CD2 4.49Å; F1666-L1669 WeakPolarHBondContact O-CB 3.2Å; F1666-L1669 PolarHBondContact O-N 2.74Å; F1666-L1669 VanDerWaalsContact O-N 3.17Å; F1666-L1670 HydrophobicContact CD1-CD1 3.76Å; F1666-L1670 HydrophobicContact CD1-CG 4.03Å; F1666-L1670 HydrophobicContact CE1-CD1 3.86Å; F1666-L1670 HydrophobicContact CE1-CD2 3.99Å; F1666-L1670 HydrophobicContact CE1-CG 3.97Å; F1666-L1670 HydrophobicContact CZ-CD2 4.43Å; F1666-L1670 WeakPolarHBondContact O-CG 3.34Å; F1666-L1670 PolarHBondContact O-N 3.42Å; F1666-V1690 HydrophobicContact CZ-CB 4Å; F1666-V1690 HydrophobicContact CZ-CG2 3.96Å; F1666-I1699 HydrophobicContact CD2-CG2 4.39Å; F1666-I1699 WeakPolarHBondContact CE1-O 3.44Å; F1666-I1699 HydrophobicContact CE2-CB 4.26Å; F1666-I1699 HydrophobicContact CE2-CG2 3.44Å; F1666-I1699 VanDerWaalsContact CE2-CG2 3.44Å; F1666-I1699 HydrophobicContact CZ-CB 3.98Å; F1666-I1699 HydrophobicContact CZ-CG2 3.68Å; F1666-I1699 WeakPolarHBondContact CZ-O 3.43Å; F1666-Q1700 WeakPolarHBondContact CB-O 3.46Å; F1666-Q1700 WeakPolarHBondContact CG-O 3.4Å; F1666-L1705 HydrophobicContact CE2-CD1 3.99Å; F1666-L1705 HydrophobicContact CE2-CG 4.44Å
1667D84.5Confident80.3Confident107 Ų10767.8 Ų67.857%0.57234%0.337SS*.Hα-helixtrans-61.1-40.5175.4-53.6-78.5000113.4S1665 L1669 L1670 E1671S1665-D1667 VanDerWaalsContact C-N 3.27Å; S1665-D1667 PolarHBondContact O-N 2.97Å; D1667-L1669 VanDerWaalsContact C-N 3.26Å; D1667-L1669 PolarHBondContact O-N 3.43Å; D1667-L1670 CarbonylContact O-C 3.06Å; D1667-L1670 WeakPolarHBondContact O-CA 3.45Å; D1667-L1670 WeakPolarHBondContact O-CB 3.27Å; D1667-L1670 PolarHBondContact O-N 2.87Å; D1667-L1670 VanDerWaalsContact O-N 3.08Å; D1667-E1671 WeakPolarHBondContact O-CG 3.1Å; D1667-E1671 PolarHBondContact O-N 2.72Å
1668T84.3Confident79.3Confident51 Ų5166.5 Ų66.531%0.31334%0.337SS..Hα-helixtrans-68.3-27.4177.339.30000112.3R1664 S1665 F1666 D1672R1664-T1668 PolarHBondContact N-OG1 3.12Å; S1665-T1668 PolarHBondContact N-OG1 2.79Å; S1665-T1668 VanDerWaalsContact N-OG1 3.11Å; S1665-T1668 PolarHBondContact O-N 2.96Å; S1665-T1668 PolarHBondContact O-OG1 2.88Å; S1665-T1668 PolarHBondContact OG-N 2.98Å; S1665-T1668 PolarHBondContact OG-OG1 3.02Å; F1666-T1668 PolarHBondContact O-N 3.4Å; T1668-D1672 PolarHBondContact O-N 2.86Å
1669L88.8Confident78.6Confident0 Ų067.3 Ų67.30%034%0.341CS..Hα-helixtrans-72.1-41.7167176.561.5000111.6F1643 Y1656 L1658 F1663 S1665 F1666 D1667 E1671 D1672 L1673 L1702 L1705F1643-L1669 HydrophobicContact CZ-CD2 4.16Å; Y1656-L1669 HydrophobicContact CD1-CD1 3.88Å; Y1656-L1669 HydrophobicContact CE1-CD1 3.71Å; L1658-L1669 HydrophobicContact CD1-CD2 4.35Å; L1658-L1669 HydrophobicContact CD2-CD1 3.45Å; L1658-L1669 VanDerWaalsContact CD2-CD1 3.45Å; L1658-L1669 HydrophobicContact CD2-CD2 3.78Å; L1658-L1669 HydrophobicContact CD2-CG 4.25Å; F1663-L1669 HydrophobicContact CB-CB 4.49Å; F1663-L1669 HydrophobicContact CD1-CB 4.01Å; F1663-L1669 HydrophobicContact CD1-CD1 4.35Å; F1663-L1669 HydrophobicContact CD2-CD1 4.3Å; F1663-L1669 HydrophobicContact CE1-CB 4.44Å; F1663-L1669 HydrophobicContact CE1-CD1 4.1Å; F1663-L1669 HydrophobicContact CE2-CD1 4.04Å; F1663-L1669 HydrophobicContact CG-CB 4.19Å; F1663-L1669 HydrophobicContact CG-CD1 4.44Å; F1663-L1669 HydrophobicContact CZ-CD1 3.92Å; S1665-L1669 PolarHBondContact O-N 3.4Å; F1666-L1669 HydrophobicContact CE2-CD2 4.49Å; F1666-L1669 WeakPolarHBondContact O-CB 3.2Å; F1666-L1669 PolarHBondContact O-N 2.74Å; F1666-L1669 VanDerWaalsContact O-N 3.17Å; D1667-L1669 VanDerWaalsContact C-N 3.26Å; D1667-L1669 PolarHBondContact O-N 3.43Å; L1669-E1671 VanDerWaalsContact C-N 3.31Å; L1669-E1671 PolarHBondContact O-N 2.98Å; L1669-D1672 PolarHBondContact O-N 3.18Å; L1669-L1673 HydrophobicContact CD1-CD1 3.9Å; L1669-L1673 HydrophobicContact CD1-CD2 4.39Å; L1669-L1673 HydrophobicContact CD1-CG 3.77Å; L1669-L1673 HydrophobicContact CD2-CD1 4.3Å; L1669-L1673 HydrophobicContact CG-CD1 3.76Å; L1669-L1673 HydrophobicContact CG-CG 4.1Å; L1669-L1673 VanDerWaalsContact O-CB 3.27Å; L1669-L1673 WeakPolarHBondContact O-CB 3.3Å; L1669-L1673 VanDerWaalsContact O-CG 3.25Å; L1669-L1673 WeakPolarHBondContact O-CG 3.18Å; L1669-L1673 PolarHBondContact O-N 2.82Å; L1669-L1702 HydrophobicContact CB-CD1 3.84Å; L1669-L1702 HydrophobicContact CD2-CD1 3.68Å; L1669-L1702 HydrophobicContact CG-CD1 4.38Å; L1669-L1705 HydrophobicContact CD2-CD1 3.28Å
1670L89.2Confident77.6Confident21 Ų2173.4 Ų73.411%0.1137%0.371CS..Hα-helixtrans-60.8-38.6175.6-68.8172.4000111.6F1666 D1667 N1674 V1687 V1690F1666-L1670 HydrophobicContact CD1-CD1 3.76Å; F1666-L1670 HydrophobicContact CD1-CG 4.03Å; F1666-L1670 HydrophobicContact CE1-CD1 3.86Å; F1666-L1670 HydrophobicContact CE1-CD2 3.99Å; F1666-L1670 HydrophobicContact CE1-CG 3.97Å; F1666-L1670 HydrophobicContact CZ-CD2 4.43Å; F1666-L1670 WeakPolarHBondContact O-CG 3.34Å; F1666-L1670 PolarHBondContact O-N 3.42Å; D1667-L1670 CarbonylContact O-C 3.06Å; D1667-L1670 WeakPolarHBondContact O-CA 3.45Å; D1667-L1670 WeakPolarHBondContact O-CB 3.27Å; D1667-L1670 PolarHBondContact O-N 2.87Å; D1667-L1670 VanDerWaalsContact O-N 3.08Å; L1670-N1674 WeakPolarHBondContact O-CB 3.39Å; L1670-N1674 PolarHBondContact O-N 2.77Å; L1670-N1674 PolarHBondContact O-ND2 2.69Å; L1670-V1687 HydrophobicContact CD2-CG1 3.71Å; L1670-V1690 HydrophobicContact CD2-CG2 3.98Å
1671E83.4Confident77.5Confident136 Ų13671.8 Ų71.864%0.63635%0.353SS*.Hα-helixtrans-64.9-44.5176.2-74.1-178.1161.700112.7D1667 L1669 N1674 R1675D1667-E1671 WeakPolarHBondContact O-CG 3.1Å; D1667-E1671 PolarHBondContact O-N 2.72Å; L1669-E1671 VanDerWaalsContact C-N 3.31Å; L1669-E1671 PolarHBondContact O-N 2.98Å; E1671-N1674 WeakPolarHBondContact O-CB 3.46Å; E1671-N1674 PolarHBondContact O-N 2.59Å; E1671-R1675 PolarHBondContact O-N 3.02Å; E1671-R1675 VanDerWaalsContact O-N 3.14Å
1672D84Confident77.5Confident25 Ų2566.6 Ų66.613%0.13433%0.326CS..Hα-helixtrans-76-31.8178.9-144.518.4000111.7Y1656 R1662 F1663 T1668 L1669 R1675 V1676Y1656-D1672 WeakPolarHBondContact OH-CB 3.24Å; Y1656-D1672 PolarHBondContact OH-OD2 3.32Å; R1662-D1672 IonicContact CZ-OD2 2.76Å; R1662-D1672 IonicContact NH1-OD2 2.79Å; R1662-D1672 PolarHBondContact NH1-OD2 2.62Å; R1662-D1672 IonicContact NH2-OD2 3.31Å; R1662-D1672 PolarHBondContact NH2-OD2 2.93Å; F1663-D1672 HydrophobicContact CE1-CB 3.84Å; F1663-D1672 HydrophobicContact CZ-CB 4.27Å; T1668-D1672 PolarHBondContact O-N 2.86Å; L1669-D1672 PolarHBondContact O-N 3.18Å; D1672-R1675 WeakPolarHBondContact O-CB 3.49Å; D1672-R1675 PolarHBondContact O-N 2.71Å; D1672-V1676 WeakPolarHBondContact O-CB 3.3Å; D1672-V1676 VanDerWaalsContact O-CG2 3.32Å; D1672-V1676 WeakPolarHBondContact O-CG2 3.17Å; D1672-V1676 PolarHBondContact O-N 3.37Å
1673L88.5Confident78Confident0 Ų060.6 Ų60.60%030%0.303CS..Hα-helixtrans-66.8-33.3168.2-72177.4000112.5F1643 Y1656 L1669 R1675 V1676 L1677 V1687F1643-L1673 HydrophobicContact CB-CD2 4.44Å; F1643-L1673 HydrophobicContact CD1-CD1 4.04Å; F1643-L1673 HydrophobicContact CD2-CD1 4.24Å; F1643-L1673 HydrophobicContact CD2-CD2 3.61Å; F1643-L1673 HydrophobicContact CE1-CD1 3.9Å; F1643-L1673 HydrophobicContact CE2-CD1 4.1Å; F1643-L1673 HydrophobicContact CE2-CD2 3.97Å; F1643-L1673 HydrophobicContact CG-CD1 4.21Å; F1643-L1673 HydrophobicContact CG-CD2 3.98Å; F1643-L1673 HydrophobicContact CZ-CD1 3.93Å; Y1656-L1673 HydrophobicContact CD1-CD2 3.94Å; Y1656-L1673 HydrophobicContact CE1-CD2 4.05Å; Y1656-L1673 HydrophobicContact CG-CD2 4.19Å; L1669-L1673 HydrophobicContact CD1-CD1 3.9Å; L1669-L1673 HydrophobicContact CD1-CD2 4.39Å; L1669-L1673 HydrophobicContact CD1-CG 3.77Å; L1669-L1673 HydrophobicContact CD2-CD1 4.3Å; L1669-L1673 HydrophobicContact CG-CD1 3.76Å; L1669-L1673 HydrophobicContact CG-CG 4.1Å; L1669-L1673 VanDerWaalsContact O-CB 3.27Å; L1669-L1673 WeakPolarHBondContact O-CB 3.3Å; L1669-L1673 VanDerWaalsContact O-CG 3.25Å; L1669-L1673 WeakPolarHBondContact O-CG 3.18Å; L1669-L1673 PolarHBondContact O-N 2.82Å; L1673-R1675 VanDerWaalsContact C-N 3.3Å; L1673-V1676 PolarHBondContact O-N 2.89Å; L1673-L1677 HydrophobicContact CB-CD1 4.44Å; L1673-L1677 HydrophobicContact CD2-CD1 3.99Å; L1673-L1677 HydrophobicContact CD2-CG 4.5Å; L1673-L1677 WeakPolarHBondContact O-CA 3.3Å; L1673-L1677 VanDerWaalsContact O-CB 3.25Å; L1673-L1677 WeakPolarHBondContact O-CB 3.22Å; L1673-L1677 PolarHBondContact O-N 3.44Å; L1673-V1687 HydrophobicContact CB-CB 4.46Å; L1673-V1687 HydrophobicContact CB-CG2 4.17Å
1674N86.3Confident77.7Confident52 Ų5263.6 Ų63.628%0.27832%0.323SS..Hα-helixtrans-60-44.5169.9-92.6-66.6000111L1670 E1671 V1676 G1678 G1686 V1687L1670-N1674 WeakPolarHBondContact O-CB 3.39Å; L1670-N1674 PolarHBondContact O-N 2.77Å; L1670-N1674 PolarHBondContact O-ND2 2.69Å; E1671-N1674 WeakPolarHBondContact O-CB 3.46Å; E1671-N1674 PolarHBondContact O-N 2.59Å; N1674-V1676 VanDerWaalsContact C-N 3.32Å; N1674-V1676 PolarHBondContact O-N 3.04Å; N1674-G1678 WeakPolarHBondContact O-CA 3.44Å; N1674-G1678 PolarHBondContact O-N 2.95Å; N1674-G1686 VanDerWaalsContact OD1-C 3.31Å; N1674-G1686 WeakPolarHBondContact OD1-CA 2.85Å; N1674-V1687 PolarHBondContact ND2-O 3.29Å; N1674-V1687 PolarHBondContact OD1-N 2.95Å
1675R81.1Confident78Confident215 Ų21557.3 Ų57.381%0.81130%0.304SS*.Hα-helixtrans-68.1-27179.5-161.2177.5-177.3-157.80.4113.9E1671 D1672 L1673E1671-R1675 PolarHBondContact O-N 3.02Å; E1671-R1675 VanDerWaalsContact O-N 3.14Å; D1672-R1675 WeakPolarHBondContact O-CB 3.49Å; D1672-R1675 PolarHBondContact O-N 2.71Å; L1673-R1675 VanDerWaalsContact C-N 3.3Å
1676V79.7Confident78.1Confident62 Ų6255.9 Ų55.938%0.37630%0.295SS..Hα-helixtrans-101.2-33.5-175.91710000113.6V1654 Y1656 D1672 L1673 N1674V1654-V1676 HydrophobicContact CG1-CG1 4.11Å; Y1656-V1676 HydrophobicContact CE2-CB 4.34Å; Y1656-V1676 HydrophobicContact CE2-CG1 4.11Å; Y1656-V1676 HydrophobicContact CE2-CG2 3.99Å; D1672-V1676 WeakPolarHBondContact O-CB 3.3Å; D1672-V1676 VanDerWaalsContact O-CG2 3.32Å; D1672-V1676 WeakPolarHBondContact O-CG2 3.17Å; D1672-V1676 PolarHBondContact O-N 3.37Å; L1673-V1676 PolarHBondContact O-N 2.89Å; N1674-V1676 VanDerWaalsContact C-N 3.32Å; N1674-V1676 PolarHBondContact O-N 3.04Å
1677L79.4Confident78.1Confident1 Ų154.8 Ų54.81%0.00529%0.291CS..Hα-helixtrans-104.7-15.6-177.3-63.8175.3000113.9F1643 R1645 F1651 V1654 L1673 D1679 L1683 V1687 C1713F1643-L1677 HydrophobicContact CB-CD1 3.77Å; R1645-L1677 PolarHBondContact NE-O 2.77Å; R1645-L1677 PolarHBondContact NH2-O 2.77Å; F1651-L1677 HydrophobicContact CE1-CD2 3.83Å; F1651-L1677 HydrophobicContact CZ-CD2 3.55Å; V1654-L1677 HydrophobicContact CB-CD2 4.03Å; V1654-L1677 HydrophobicContact CG2-CD2 3.93Å; L1673-L1677 HydrophobicContact CB-CD1 4.44Å; L1673-L1677 HydrophobicContact CD2-CD1 3.99Å; L1673-L1677 HydrophobicContact CD2-CG 4.5Å; L1673-L1677 WeakPolarHBondContact O-CA 3.3Å; L1673-L1677 VanDerWaalsContact O-CB 3.25Å; L1673-L1677 WeakPolarHBondContact O-CB 3.22Å; L1673-L1677 PolarHBondContact O-N 3.44Å; L1677-D1679 PolarHBondContact O-N 3.23Å; L1677-L1683 HydrophobicContact CB-CD1 3.85Å; L1677-V1687 HydrophobicContact CB-CG2 4.09Å; L1677-V1687 HydrophobicContact CD1-CG2 4.22Å; L1677-C1713 HydrophobicContact CD1-CB 3.95Å; L1677-C1713 VanDerWaalsContact CD1-SG 3.52Å
1678G62.8Low78.3Confident46 Ų4654.2 Ų54.247%0.47428%0.281SS..  trans-57.2101.3-174.700000113.9N1674N1674-G1678 WeakPolarHBondContact O-CA 3.44Å; N1674-G1678 PolarHBondContact O-N 2.95Å
1679D65.5Low78.6Confident23 Ų2354.4 Ų54.412%0.12328%0.276CS..  trans-109.1149.7157.665.127000108.7R1645 L1677 V1681 N1682 L1683R1645-D1679 WeakPolarHBondContact CD-OD2 3.35Å; R1645-D1679 IonicContact CZ-OD2 2.74Å; R1645-D1679 IonicContact NE-OD2 2.79Å; R1645-D1679 PolarHBondContact NE-OD2 2.89Å; R1645-D1679 IonicContact NH1-OD2 3.25Å; R1645-D1679 PolarHBondContact NH1-OD2 3.12Å; R1645-D1679 IonicContact NH2-OD2 2.73Å; L1677-D1679 PolarHBondContact O-N 3.23Å; D1679-V1681 HydrophobicContact CB-CB 4.44Å; D1679-V1681 HydrophobicContact CB-CG2 4.34Å; D1679-V1681 PolarHBondContact O-N 2.64Å; D1679-V1681 VanDerWaalsContact O-N 3.1Å; D1679-V1681 PolarHBondContact OD1-N 2.75Å; D1679-N1682 WeakPolarHBondContact OD1-CA 3.42Å; D1679-N1682 WeakPolarHBondContact OD1-CB 3.34Å; D1679-N1682 PolarHBondContact OD1-N 2.94Å; D1679-N1682 PolarHBondContact OD2-ND2 3.09Å; D1679-L1683 CarbonylContact O-C 3.42Å; D1679-L1683 WeakPolarHBondContact O-CA 3.5Å; D1679-L1683 PolarHBondContact O-N 3.32Å; D1679-L1683 PolarHBondContact OD1-N 3.22Å
1680L56.3Low78.8Confident157 Ų15754.4 Ų54.482%0.82228%0.276SS*.THydrogen-bonded Turntrans-76.712.3176.3-68.5169.6000112.5
1681V64Low78.9Confident43 Ų4354.1 Ų54.126%0.26127%0.274SS..THydrogen-bonded Turntrans-112.2-64.9-162.5-174.50000110.7D1679 S1808D1679-V1681 HydrophobicContact CB-CB 4.44Å; D1679-V1681 HydrophobicContact CB-CG2 4.34Å; D1679-V1681 PolarHBondContact O-N 2.64Å; D1679-V1681 VanDerWaalsContact O-N 3.1Å; D1679-V1681 PolarHBondContact OD1-N 2.75Å; V1681-S1808 VanDerWaalsContact CG2-OG 3.23Å; V1681-S1808 WeakPolarHBondContact CG2-OG 3.17Å
1682N67.5Low79.3Confident21 Ų2149.1 Ų49.111%0.11225%0.253CS..THydrogen-bonded Turntrans-92.1-26.7176.7-53.8-73000110.6R1645 D1648 D1679 P1684R1645-N1682 HydrophobicContact CB-CB 4.02Å; D1648-N1682 HydrophobicContact CB-CB 4.44Å; D1648-N1682 PolarHBondContact OD2-ND2 2.79Å; D1648-N1682 VanDerWaalsContact OD2-ND2 3.16Å; D1679-N1682 WeakPolarHBondContact OD1-CA 3.42Å; D1679-N1682 WeakPolarHBondContact OD1-CB 3.34Å; D1679-N1682 PolarHBondContact OD1-N 2.94Å; D1679-N1682 PolarHBondContact OD2-ND2 3.09Å; N1682-P1684 WeakPolarHBondContact O-CD 3.31Å
1683L79.4Confident79.4Confident2 Ų249.5 Ų49.51%0.0125%0.254CS..  trans-122.955.8-179.2-65.6175.3000113.8R1645 L1677 D1679 H1685 G1686 V1687 C1713 S1715R1645-L1683 HydrophobicContact CB-CD1 4.41Å; R1645-L1683 HydrophobicContact CB-CG 4.49Å; R1645-L1683 HydrophobicContact CG-CD1 3.85Å; R1645-L1683 HydrophobicContact CG-CG 4.36Å; L1677-L1683 HydrophobicContact CB-CD1 3.85Å; D1679-L1683 CarbonylContact O-C 3.42Å; D1679-L1683 WeakPolarHBondContact O-CA 3.5Å; D1679-L1683 PolarHBondContact O-N 3.32Å; D1679-L1683 PolarHBondContact OD1-N 3.22Å; L1683-H1685 PolarHBondContact O-N 3.36Å; L1683-H1685 VanDerWaalsContact O-N 3.08Å; L1683-G1686 WeakPolarHBondContact O-CA 3.41Å; L1683-G1686 PolarHBondContact O-N 2.87Å; L1683-V1687 HydrophobicContact CD1-CG2 3.81Å; L1683-C1713 WeakPolarHBondContact CD2-O 3Å; L1683-S1715 WeakPolarHBondContact CA-OG 3.29Å; L1683-S1715 PolarHBondContact O-OG 2.9Å
1684P68.4Low79.1Confident72 Ų7252.7 Ų52.747%0.46827%0.271SS..THydrogen-bonded Turntrans-63.2-17.4-172.826.3-36.4000116.3N1682N1682-P1684 WeakPolarHBondContact O-CD 3.31Å
1685H78.4Confident78.9Confident105 Ų10551.2 Ų51.249%0.48627%0.269SS..THydrogen-bonded Turntrans-110.515.5171.3-56.760.8000111.9L1683 R1688 S1715L1683-H1685 PolarHBondContact O-N 3.36Å; L1683-H1685 VanDerWaalsContact O-N 3.08Å; H1685-R1688 HydrophobicContact CB-CG 4.44Å; H1685-R1688 PolarHBondContact O-NE 3.38Å; H1685-S1715 PolarHBondContact N-OG 2.68Å
1686G80.8Confident78.8Confident11 Ų1149 Ų4911%0.11327%0.267CS..  trans79.7-170.3-170.700000113.8N1674 L1683 R1688 S1715N1674-G1686 VanDerWaalsContact OD1-C 3.31Å; N1674-G1686 WeakPolarHBondContact OD1-CA 2.85Å; L1683-G1686 WeakPolarHBondContact O-CA 3.41Å; L1683-G1686 PolarHBondContact O-N 2.87Å; G1686-R1688 PolarHBondContact O-N 3.22Å; G1686-S1715 PolarHBondContact N-OG 2.79Å; G1686-S1715 WeakPolarHBondContact O-CA 3.48Å; G1686-S1715 WeakPolarHBondContact O-CB 3.21Å; G1686-S1715 PolarHBondContact O-OG 3.28Å
1687V88Confident79Confident1 Ų153 Ų531%0.00628%0.276CS..SBendtrans-77.3116.2164-173.30000108.1L1670 L1673 N1674 L1677 L1683 V1690 C1713L1670-V1687 HydrophobicContact CD2-CG1 3.71Å; L1673-V1687 HydrophobicContact CB-CB 4.46Å; L1673-V1687 HydrophobicContact CB-CG2 4.17Å; N1674-V1687 PolarHBondContact ND2-O 3.29Å; N1674-V1687 PolarHBondContact OD1-N 2.95Å; L1677-V1687 HydrophobicContact CB-CG2 4.09Å; L1677-V1687 HydrophobicContact CD1-CG2 4.22Å; L1683-V1687 HydrophobicContact CD1-CG2 3.81Å; V1687-V1690 HydrophobicContact CG1-CG2 4.17Å; V1687-C1713 HydrophobicContact CB-CB 4.4Å; V1687-C1713 HydrophobicContact CG1-CB 3.69Å; V1687-C1713 HydrophobicContact CG2-CB 3.85Å
1688R88.5Confident79.5Confident95 Ų9557.6 Ų57.636%0.35829%0.293SS..  trans-117.3-27.4176-62.9-60.5-172.5137.15.9112.4H1685 G1686 S1714 S1715H1685-R1688 HydrophobicContact CB-CG 4.44Å; H1685-R1688 PolarHBondContact O-NE 3.38Å; G1686-R1688 PolarHBondContact O-N 3.22Å; R1688-S1714 PolarHBondContact N-O 2.61Å; R1688-S1715 WeakPolarHBondContact CG-O 3.34Å
1689Y90.3Very high80.9Confident55 Ų5555.5 Ų55.522%0.21627%0.271CS..EExtended strand (participates in β ladder)trans-135.6151.1-179.3-51.4-80.9000109.3C1713 S1714 N1716 E1717Y1689-C1713 CarbonylContact O-C 3.59Å; Y1689-C1713 WeakPolarHBondContact O-CA 3.37Å; Y1689-S1714 PolarHBondContact N-O 2.73Å; Y1689-S1714 PolarHBondContact O-N 3.43Å; Y1689-N1716 WeakPolarHBondContact CD2-O 3.13Å; Y1689-E1717 HydrophobicContact CD1-CG 3.94Å; Y1689-E1717 HydrophobicContact CD2-CG 4.25Å; Y1689-E1717 HydrophobicContact CE1-CG 3.44Å; Y1689-E1717 VanDerWaalsContact CE1-CG 3.44Å; Y1689-E1717 WeakPolarHBondContact CE1-OE1 3.25Å; Y1689-E1717 HydrophobicContact CE2-CG 3.82Å; Y1689-E1717 HydrophobicContact CG-CG 4.32Å
1690V92.4Very high81.7Confident0 Ų060.4 Ų60.40%029%0.293CS..EExtended strand (participates in β ladder)trans-127.8128.7170.5176.70000107F1643 F1666 L1670 V1687 R1698 I1699 L1705 Y1711 V1712F1643-V1690 HydrophobicContact CD1-CG1 4.24Å; F1643-V1690 HydrophobicContact CE1-CG1 3.91Å; F1666-V1690 HydrophobicContact CZ-CB 4Å; F1666-V1690 HydrophobicContact CZ-CG2 3.96Å; L1670-V1690 HydrophobicContact CD2-CG2 3.98Å; V1687-V1690 HydrophobicContact CG1-CG2 4.17Å; V1690-R1698 WeakPolarHBondContact O-CA 3.4Å; V1690-I1699 HydrophobicContact CB-CB 4.18Å; V1690-I1699 HydrophobicContact CB-CG1 4.47Å; V1690-I1699 HydrophobicContact CG1-CB 4.17Å; V1690-I1699 HydrophobicContact CG1-CG1 4Å; V1690-I1699 PolarHBondContact O-N 2.9Å; V1690-L1705 HydrophobicContact CG1-CD2 4.4Å; V1690-Y1711 HydrophobicContact CG1-CD1 4.38Å; V1690-Y1711 HydrophobicContact CG1-CG 4.23Å; V1690-V1712 WeakPolarHBondContact CA-O 2.96Å
1691F93Very high83.1Confident15 Ų1558.6 Ų58.67%0.06628%0.28CS..EExtended strand (participates in β ladder)trans-112.5157.1177.8-64.3-85.3000110.6R1697 R1698 Y1711 V1712 E1717 F1719F1691-R1697 CarbonylContact C-O 3.58Å; F1691-R1697 WeakPolarHBondContact CA-O 3.3Å; F1691-R1698 HydrophobicContact CD1-CB 4.09Å; F1691-R1698 HydrophobicContact CE1-CB 3.95Å; F1691-Y1711 CarbonylContact O-C 3.45Å; F1691-Y1711 WeakPolarHBondContact O-CA 2.95Å; F1691-Y1711 VanDerWaalsContact O-CB 3.25Å; F1691-Y1711 WeakPolarHBondContact O-CB 3.46Å; F1691-V1712 PolarHBondContact N-O 3.17Å; F1691-V1712 PolarHBondContact O-N 3.08Å; F1691-E1717 WeakPolarHBondContact CZ-O 3.4Å; F1691-F1719 HydrophobicContact CB-CD2 3.89Å; F1691-F1719 HydrophobicContact CB-CE2 4.41Å; F1691-F1719 HydrophobicContact CD1-CB 4.47Å; F1691-F1719 HydrophobicContact CD2-CB 4.35Å; F1691-F1719 HydrophobicContact CD2-CD2 4.33Å; F1691-F1719 HydrophobicContact CE2-CB 4.49Å; F1691-F1719 HydrophobicContact CG-CB 4.34Å; F1691-F1719 HydrophobicContact CG-CD2 4.13Å
1692T91.7Very high84.1Confident30 Ų3058.6 Ų58.618%0.18428%0.279CS..EExtended strand (participates in β ladder)trans-57.7156.8159.548.60000110.9D1694 G1695 Q1696 R1697 I1699 Y1711T1692-D1694 VanDerWaalsContact CB-OD1 3.27Å; T1692-D1694 WeakPolarHBondContact CB-OD1 2.88Å; T1692-D1694 PolarHBondContact O-N 2.73Å; T1692-D1694 PolarHBondContact OG1-OD1 2.6Å; T1692-G1695 PolarHBondContact O-N 3.4Å; T1692-Q1696 PolarHBondContact OG1-N 3.42Å; T1692-R1697 HydrophobicContact CG2-CB 3.91Å; T1692-R1697 PolarHBondContact N-O 2.59Å; T1692-R1697 PolarHBondContact OG1-N 2.65Å; T1692-R1697 PolarHBondContact OG1-O 3.11Å; T1692-I1699 HydrophobicContact CG2-CD1 4.21Å; T1692-Y1711 HydrophobicContact CG2-CD1 4.35Å; T1692-Y1711 HydrophobicContact CG2-CE1 4.13Å
1693L86.4Confident84.8Confident33 Ų3360.8 Ų60.817%0.17330%0.296CS..THydrogen-bonded Turntrans-50.5-24.7-179.9-109.1177.7000115.7Y1644 S1710 V1712 F1719 Y1724 Q1725Y1644-L1693 HydrophobicContact CD2-CD2 4.04Å; Y1644-L1693 HydrophobicContact CE2-CD2 3.97Å; L1693-S1710 WeakPolarHBondContact CG-O 3.21Å; L1693-V1712 HydrophobicContact CD2-CG2 4.36Å; L1693-F1719 WeakPolarHBondContact O-CZ 2.4Å; L1693-Y1724 VanDerWaalsContact CD2-CB 3.5Å; L1693-Y1724 HydrophobicContact CD2-CD2 4.25Å; L1693-Y1724 HydrophobicContact CD2-CG 4.25Å; L1693-Q1725 HydrophobicContact CD1-CG 3.71Å; L1693-Q1725 HydrophobicContact CD2-CG 4.21Å
1694D82.1Confident85.2Confident67 Ų6762.4 Ų62.436%0.35830%0.303SS..THydrogen-bonded Turntrans-101.6-4.9-178.263.7-5.4000114.2T1692 Q1696 F1719T1692-D1694 VanDerWaalsContact CB-OD1 3.27Å; T1692-D1694 WeakPolarHBondContact CB-OD1 2.88Å; T1692-D1694 PolarHBondContact O-N 2.73Å; T1692-D1694 PolarHBondContact OG1-OD1 2.6Å; D1694-Q1696 VanDerWaalsContact C-N 3.32Å; D1694-Q1696 HydrophobicContact CB-CG 4.5Å; D1694-Q1696 PolarHBondContact OD1-N 2.92Å; D1694-Q1696 WeakPolarHBondContact OD2-CG 3.47Å; D1694-Q1696 PolarHBondContact OD2-NE2 2.78Å; D1694-F1719 VanDerWaalsContact C-CZ 3.42Å; D1694-F1719 WeakPolarHBondContact O-CE1 3.41Å
1695G81.1Confident86.2Confident21 Ų2159 Ų5922%0.21628%0.281CS..SBendtrans80.7-0.7-177.600000115.6T1692T1692-G1695 PolarHBondContact O-N 3.4Å
1696Q79.3Confident86.5Confident168 Ų16857.9 Ų57.979%0.78528%0.279SS*.SBendtrans-73.3-31.2-171.1-70.8-169.470.400114.2T1692 D1694T1692-Q1696 PolarHBondContact OG1-N 3.42Å; D1694-Q1696 VanDerWaalsContact C-N 3.32Å; D1694-Q1696 HydrophobicContact CB-CG 4.5Å; D1694-Q1696 PolarHBondContact OD1-N 2.92Å; D1694-Q1696 WeakPolarHBondContact OD2-CG 3.47Å; D1694-Q1696 PolarHBondContact OD2-NE2 2.78Å
1697R84.4Confident86.7Confident148 Ų14861.7 Ų61.756%0.55830%0.297SS*.  trans-128.5122.9-178.2-171.4175.3-178.5160.81.4110.5F1691 T1692 E1704F1691-R1697 CarbonylContact C-O 3.58Å; F1691-R1697 WeakPolarHBondContact CA-O 3.3Å; T1692-R1697 HydrophobicContact CG2-CB 3.91Å; T1692-R1697 PolarHBondContact N-O 2.59Å; T1692-R1697 PolarHBondContact OG1-N 2.65Å; T1692-R1697 PolarHBondContact OG1-O 3.11Å; R1697-E1704 IonicContact CZ-OE1 3.46Å; R1697-E1704 IonicContact NE-OE1 3.65Å; R1697-E1704 PolarHBondContact NE-OE1 3.36Å; R1697-E1704 IonicContact NH2-OE1 3.34Å; R1697-E1704 PolarHBondContact NH2-OE1 3.44Å
1698R88.4Confident86.4Confident96 Ų9663.5 Ų63.536%0.36232%0.315SS..EExtended strand (participates in β ladder)trans-76.4126.6164.5170178.5163.8175.2-0.6108.6V1690 F1691 Q1700 E1717V1690-R1698 WeakPolarHBondContact O-CA 3.4Å; F1691-R1698 HydrophobicContact CD1-CB 4.09Å; F1691-R1698 HydrophobicContact CE1-CB 3.95Å; R1698-Q1700 HydrophobicContact CG-CG 4.18Å; R1698-E1717 IonicContact CZ-OE1 2.69Å; R1698-E1717 IonicContact NH1-OE1 3.92Å; R1698-E1717 PolarHBondContact NH1-OE1 3Å
1699I92.2Very high86.6Confident3 Ų363.7 Ų63.72%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-79.7132.2173.6-50.5-53.3000108.4F1666 V1690 T1692 E1701 E1704 L1705 Y1711F1666-I1699 HydrophobicContact CD2-CG2 4.39Å; F1666-I1699 WeakPolarHBondContact CE1-O 3.44Å; F1666-I1699 HydrophobicContact CE2-CB 4.26Å; F1666-I1699 HydrophobicContact CE2-CG2 3.44Å; F1666-I1699 VanDerWaalsContact CE2-CG2 3.44Å; F1666-I1699 HydrophobicContact CZ-CB 3.98Å; F1666-I1699 HydrophobicContact CZ-CG2 3.68Å; F1666-I1699 WeakPolarHBondContact CZ-O 3.43Å; V1690-I1699 HydrophobicContact CB-CB 4.18Å; V1690-I1699 HydrophobicContact CB-CG1 4.47Å; V1690-I1699 HydrophobicContact CG1-CB 4.17Å; V1690-I1699 HydrophobicContact CG1-CG1 4Å; V1690-I1699 PolarHBondContact O-N 2.9Å; T1692-I1699 HydrophobicContact CG2-CD1 4.21Å; I1699-E1701 WeakPolarHBondContact CG2-O 3.13Å; I1699-E1704 WeakPolarHBondContact CA-OE2 3.49Å; I1699-E1704 HydrophobicContact CD1-CB 4.14Å; I1699-E1704 HydrophobicContact CG2-CB 3.97Å; I1699-L1705 HydrophobicContact CB-CD2 4.45Å; I1699-L1705 HydrophobicContact CG1-CD2 4.18Å; I1699-L1705 HydrophobicContact CG2-CD2 3.75Å; I1699-L1705 HydrophobicContact CG2-CG 3.79Å; I1699-Y1711 HydrophobicContact CD1-CD1 3.85Å; I1699-Y1711 HydrophobicContact CD1-CE1 3.53Å; I1699-Y1711 HydrophobicContact CG1-CD1 3.58Å; I1699-Y1711 HydrophobicContact CG1-CE1 3.78Å
1700Q83.7Confident86.6Confident126 Ų12661.9 Ų61.959%0.58932%0.316SS*.  trans-125.4-22.2-179-63.8179.586.300112F1666 R1698 E1704F1666-Q1700 WeakPolarHBondContact CB-O 3.46Å; F1666-Q1700 WeakPolarHBondContact CG-O 3.4Å; R1698-Q1700 HydrophobicContact CG-CG 4.18Å; Q1700-E1704 PolarHBondContact N-OE2 3.47Å
1701E84.6Confident86.7Confident118 Ų11862.5 Ų62.555%0.55132%0.318SS*.SBendtrans-121.5153.7-179.4-64.3178.4-143.400112.2I1699 S1703 E1704I1699-E1701 WeakPolarHBondContact CG2-O 3.13Å; E1701-S1703 WeakPolarHBondContact CB-OG 3.41Å; E1701-S1703 PolarHBondContact O-N 3.43Å; E1701-S1703 PolarHBondContact OE2-OG 2.94Å; E1701-E1704 HydrophobicContact CB-CG 4.34Å; E1701-E1704 PolarHBondContact N-OE2 2.69Å; E1701-E1704 PolarHBondContact O-N 2.67Å
1702L85.4Confident86.7Confident43 Ų4361.8 Ų61.823%0.22532%0.315CS..THydrogen-bonded Turntrans-66.9-17.2170.5-145.890.4000112.7F1663 L1669F1663-L1702 HydrophobicContact CB-CD1 3.93Å; F1663-L1702 HydrophobicContact CB-CD2 3.97Å; F1663-L1702 WeakPolarHBondContact O-CD2 3.45Å; L1669-L1702 HydrophobicContact CB-CD1 3.84Å; L1669-L1702 HydrophobicContact CD2-CD1 3.68Å; L1669-L1702 HydrophobicContact CG-CD1 4.38Å
1703S82.2Confident86.7Confident68 Ų6860.3 Ų60.348%0.47631%0.306SS..THydrogen-bonded Turntrans-67.1-4017762.30000112.2K1639 E1701 L1705K1639-S1703 PolarHBondContact NZ-O 3Å; K1639-S1703 VanDerWaalsContact NZ-O 3.15Å; E1701-S1703 WeakPolarHBondContact CB-OG 3.41Å; E1701-S1703 PolarHBondContact O-N 3.43Å; E1701-S1703 PolarHBondContact OE2-OG 2.94Å; S1703-L1705 VanDerWaalsContact C-N 3.32Å; S1703-L1705 PolarHBondContact O-N 2.8Å
1704E87.3Confident86.9Confident35 Ų3558.8 Ų58.816%0.16430%0.298CS..SBendtrans-76.3-9.4-175.4-67.1-176.6118.200114.8R1697 I1699 Q1700 E1701 Y1711R1697-E1704 IonicContact CZ-OE1 3.46Å; R1697-E1704 IonicContact NE-OE1 3.65Å; R1697-E1704 PolarHBondContact NE-OE1 3.36Å; R1697-E1704 IonicContact NH2-OE1 3.34Å; R1697-E1704 PolarHBondContact NH2-OE1 3.44Å; I1699-E1704 WeakPolarHBondContact CA-OE2 3.49Å; I1699-E1704 HydrophobicContact CD1-CB 4.14Å; I1699-E1704 HydrophobicContact CG2-CB 3.97Å; Q1700-E1704 PolarHBondContact N-OE2 3.47Å; E1701-E1704 HydrophobicContact CB-CG 4.34Å; E1701-E1704 PolarHBondContact N-OE2 2.69Å; E1701-E1704 PolarHBondContact O-N 2.67Å; E1704-Y1711 PolarHBondContact O-OH 3.01Å; E1704-Y1711 VanDerWaalsContact O-OH 3.07Å
1705L89.3Confident87Confident0 Ų056 Ų560%028%0.284CS..  trans-87.3120.2174.3-68.1174000109.8K1639 V1641 F1643 L1658 F1666 L1669 V1690 I1699 S1703 Y1711K1639-L1705 WeakPolarHBondContact CD-O 3.47Å; K1639-L1705 VanDerWaalsContact CE-O 3.31Å; K1639-L1705 WeakPolarHBondContact CE-O 2.88Å; K1639-L1705 PolarHBondContact NZ-O 2.73Å; V1641-L1705 HydrophobicContact CG1-CD2 4.48Å; V1641-L1705 HydrophobicContact CG2-CB 4.41Å; F1643-L1705 HydrophobicContact CE1-CD2 4.1Å; F1643-L1705 HydrophobicContact CZ-CD1 4.09Å; F1643-L1705 HydrophobicContact CZ-CD2 4.21Å; L1658-L1705 HydrophobicContact CD1-CB 3.95Å; L1658-L1705 HydrophobicContact CD1-CD1 3.68Å; L1658-L1705 HydrophobicContact CD1-CG 4.47Å; F1666-L1705 HydrophobicContact CE2-CD1 3.99Å; F1666-L1705 HydrophobicContact CE2-CG 4.44Å; L1669-L1705 HydrophobicContact CD2-CD1 3.28Å; V1690-L1705 HydrophobicContact CG1-CD2 4.4Å; I1699-L1705 HydrophobicContact CB-CD2 4.45Å; I1699-L1705 HydrophobicContact CG1-CD2 4.18Å; I1699-L1705 HydrophobicContact CG2-CD2 3.75Å; I1699-L1705 HydrophobicContact CG2-CG 3.79Å; S1703-L1705 VanDerWaalsContact C-N 3.32Å; S1703-L1705 PolarHBondContact O-N 2.8Å; L1705-Y1711 WeakPolarHBondContact CA-OH 2.84Å; L1705-Y1711 HydrophobicContact CD2-CD1 3.91Å; L1705-Y1711 HydrophobicContact CD2-CD2 3.74Å; L1705-Y1711 HydrophobicContact CD2-CE1 3.93Å; L1705-Y1711 HydrophobicContact CD2-CE2 3.78Å; L1705-Y1711 HydrophobicContact CD2-CG 3.81Å
1706D84.8Confident86.9Confident83 Ų8359 Ų5944%0.44430%0.295SS..  trans-108.8149.8-172.8-83.4-35.6000115.6K1639 G1708 E1709 Y1711K1639-D1706 IonicContact NZ-OD1 2.87Å; K1639-D1706 PolarHBondContact NZ-OD1 3.15Å; D1706-G1708 PolarHBondContact O-N 2.96Å; D1706-E1709 HydrophobicContact CB-CB 4.34Å; D1706-E1709 HydrophobicContact CB-CG 4Å; D1706-E1709 PolarHBondContact O-N 3.44Å; D1706-E1709 VanDerWaalsContact O-N 3.12Å; D1706-Y1711 PolarHBondContact N-OH 3.23Å
1707D86.1Confident86.9Confident91 Ų9156.5 Ų56.549%0.48728%0.283SS..THydrogen-bonded Turntrans-67.5119.2-174.3-174.433.2000112K1639 K1640K1639-D1707 HydrophobicContact CB-CB 4.03Å; K1639-D1707 HydrophobicContact CG-CB 4.14Å; K1640-D1707 PolarHBondContact N-OD1 3.14Å
1708G82.1Confident86.4Confident38 Ų3853.7 Ų53.739%0.39229%0.285SS..THydrogen-bonded Turntrans89.8-13.4-175.200000115K1640 D1706K1640-G1708 WeakPolarHBondContact O-CA 3.09Å; K1640-G1708 PolarHBondContact O-N 2.83Å; D1706-G1708 PolarHBondContact O-N 2.96Å
1709E91.1Very high86.1Confident99 Ų9951.2 Ų51.246%0.46328%0.277SS..  trans-79.2168.5-178.1-67.4-55145.300112.8R1642 D1706 Y1711R1642-E1709 PolarHBondContact N-O 2.68Å; D1706-E1709 HydrophobicContact CB-CB 4.34Å; D1706-E1709 HydrophobicContact CB-CG 4Å; D1706-E1709 PolarHBondContact O-N 3.44Å; D1706-E1709 VanDerWaalsContact O-N 3.12Å; E1709-Y1711 HydrophobicContact CB-CE2 3.79Å
1710S90.9Very high85.5Confident17 Ų1755 Ų5512%0.11929%0.294CS..EExtended strand (participates in β ladder)trans-130.5145.2-178.1-46.50000113.3R1642 L1693R1642-S1710 WeakPolarHBondContact CB-OG 3.1Å; R1642-S1710 CarbonylContact O-C 3.41Å; R1642-S1710 WeakPolarHBondContact O-CA 3.18Å; L1693-S1710 WeakPolarHBondContact CG-O 3.21Å
1711Y94.1Very high85.2Confident13 Ų1357.4 Ų57.45%0.05130%0.302CS..EExtended strand (participates in β ladder)trans-138.6161.9-170.2-59.3-93.5000110.6V1641 R1642 F1643 Y1644 V1690 F1691 T1692 I1699 E1704 L1705 D1706 E1709V1641-Y1711 HydrophobicContact CG1-CD2 3.32Å; V1641-Y1711 HydrophobicContact CG1-CE2 3.6Å; R1642-Y1711 PolarHBondContact O-N 2.95Å; F1643-Y1711 CarbonylContact C-O 3.59Å; F1643-Y1711 WeakPolarHBondContact CA-O 3.44Å; Y1644-Y1711 PolarHBondContact N-O 3.11Å; V1690-Y1711 HydrophobicContact CG1-CD1 4.38Å; V1690-Y1711 HydrophobicContact CG1-CG 4.23Å; F1691-Y1711 CarbonylContact O-C 3.45Å; F1691-Y1711 WeakPolarHBondContact O-CA 2.95Å; F1691-Y1711 VanDerWaalsContact O-CB 3.25Å; F1691-Y1711 WeakPolarHBondContact O-CB 3.46Å; T1692-Y1711 HydrophobicContact CG2-CD1 4.35Å; T1692-Y1711 HydrophobicContact CG2-CE1 4.13Å; I1699-Y1711 HydrophobicContact CD1-CD1 3.85Å; I1699-Y1711 HydrophobicContact CD1-CE1 3.53Å; I1699-Y1711 HydrophobicContact CG1-CD1 3.58Å; I1699-Y1711 HydrophobicContact CG1-CE1 3.78Å; E1704-Y1711 PolarHBondContact O-OH 3.01Å; E1704-Y1711 VanDerWaalsContact O-OH 3.07Å; L1705-Y1711 WeakPolarHBondContact CA-OH 2.84Å; L1705-Y1711 HydrophobicContact CD2-CD1 3.91Å; L1705-Y1711 HydrophobicContact CD2-CD2 3.74Å; L1705-Y1711 HydrophobicContact CD2-CE1 3.93Å; L1705-Y1711 HydrophobicContact CD2-CE2 3.78Å; L1705-Y1711 HydrophobicContact CD2-CG 3.81Å; D1706-Y1711 PolarHBondContact N-OH 3.23Å; E1709-Y1711 HydrophobicContact CB-CE2 3.79Å
1712V92.8Very high84.9Confident0 Ų053.9 Ų53.90%029%0.287CS..EExtended strand (participates in β ladder)trans-120.7108.6-172.4177.70000109.1N1646 V1690 F1691 L1693 F1719 Y1724N1646-V1712 HydrophobicContact CB-CG1 3.77Å; V1690-V1712 WeakPolarHBondContact CA-O 2.96Å; F1691-V1712 PolarHBondContact N-O 3.17Å; F1691-V1712 PolarHBondContact O-N 3.08Å; L1693-V1712 HydrophobicContact CD2-CG2 4.36Å; V1712-F1719 HydrophobicContact CB-CD2 4.36Å; V1712-F1719 HydrophobicContact CB-CE2 3.97Å; V1712-F1719 HydrophobicContact CG1-CD2 4.18Å; V1712-F1719 HydrophobicContact CG1-CE2 4.02Å; V1712-F1719 HydrophobicContact CG2-CE2 3.97Å; V1712-Y1724 HydrophobicContact CB-CE2 4.44Å; V1712-Y1724 HydrophobicContact CG1-CE1 4.07Å; V1712-Y1724 HydrophobicContact CG1-CE2 3.96Å; V1712-Y1724 HydrophobicContact CG2-CD1 4.35Å; V1712-Y1724 HydrophobicContact CG2-CD2 3.62Å; V1712-Y1724 HydrophobicContact CG2-CE1 4.36Å; V1712-Y1724 HydrophobicContact CG2-CE2 3.65Å; V1712-Y1724 HydrophobicContact CG2-CG 4Å
1713C92.8Very high84.5Confident0 Ų055.6 Ų55.60%030%0.296CS..EExtended strand (participates in β ladder)trans-75.2134.7176.3-69.60000110.6F1643 Y1644 N1646 L1677 L1683 V1687 Y1689F1643-C1713 VanDerWaalsContact CD1-SG 3.52Å; Y1644-C1713 WeakPolarHBondContact O-CB 3.31Å; Y1644-C1713 PolarHBondContact O-N 3.16Å; N1646-C1713 WeakPolarHBondContact CA-O 3.18Å; N1646-C1713 WeakPolarHBondContact CB-O 3.43Å; N1646-C1713 PolarHBondContact N-O 3.37Å; L1677-C1713 HydrophobicContact CD1-CB 3.95Å; L1677-C1713 VanDerWaalsContact CD1-SG 3.52Å; L1683-C1713 WeakPolarHBondContact CD2-O 3Å; V1687-C1713 HydrophobicContact CB-CB 4.4Å; V1687-C1713 HydrophobicContact CG1-CB 3.69Å; V1687-C1713 HydrophobicContact CG2-CB 3.85Å; Y1689-C1713 CarbonylContact O-C 3.59Å; Y1689-C1713 WeakPolarHBondContact O-CA 3.37Å
1714S90.2Very high84.4Confident1 Ų152.5 Ų52.51%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-135.6151.7179.6-172.30000112.7N1646 R1688 Y1689 N1716N1646-S1714 PolarHBondContact ND2-OG 3.28Å; R1688-S1714 PolarHBondContact N-O 2.61Å; Y1689-S1714 PolarHBondContact N-O 2.73Å; Y1689-S1714 PolarHBondContact O-N 3.43Å; S1714-N1716 WeakPolarHBondContact CB-O 3.23Å; S1714-N1716 PolarHBondContact OG-N 2.8Å; S1714-N1716 PolarHBondContact OG-O 3.49Å; S1714-N1716 PolarHBondContact OG-OD1 2.91Å
1715S84.1Confident83.7Confident9 Ų957.1 Ų57.16%0.06330%0.296CS..SBendtrans-78.3-23.2169.1-75.50000114.7L1683 H1685 G1686 R1688L1683-S1715 WeakPolarHBondContact CA-OG 3.29Å; L1683-S1715 PolarHBondContact O-OG 2.9Å; H1685-S1715 PolarHBondContact N-OG 2.68Å; G1686-S1715 PolarHBondContact N-OG 2.79Å; G1686-S1715 WeakPolarHBondContact O-CA 3.48Å; G1686-S1715 WeakPolarHBondContact O-CB 3.21Å; G1686-S1715 PolarHBondContact O-OG 3.28Å; R1688-S1715 WeakPolarHBondContact CG-O 3.34Å
1716N80.1Confident82.6Confident82 Ų8262.3 Ų62.344%0.43932%0.323SS..SBendtrans-136.9164.3-17654.214.6000110.6Y1689 S1714 C1718Y1689-N1716 WeakPolarHBondContact CD2-O 3.13Å; S1714-N1716 WeakPolarHBondContact CB-O 3.23Å; S1714-N1716 PolarHBondContact OG-N 2.8Å; S1714-N1716 PolarHBondContact OG-O 3.49Å; S1714-N1716 PolarHBondContact OG-OD1 2.91Å; N1716-C1718 PolarHBondContact O-N 1.97Å
1717E78Confident81.1Confident116 Ų11659.8 Ų59.854%0.54231%0.311SS..SBendtrans-68.6-5.7-176.6-62.3-168.714900113.6Y1689 F1691 R1698 F1719Y1689-E1717 HydrophobicContact CD1-CG 3.94Å; Y1689-E1717 HydrophobicContact CD2-CG 4.25Å; Y1689-E1717 HydrophobicContact CE1-CG 3.44Å; Y1689-E1717 VanDerWaalsContact CE1-CG 3.44Å; Y1689-E1717 WeakPolarHBondContact CE1-OE1 3.25Å; Y1689-E1717 HydrophobicContact CE2-CG 3.82Å; Y1689-E1717 HydrophobicContact CG-CG 4.32Å; F1691-E1717 WeakPolarHBondContact CZ-O 3.4Å; R1698-E1717 IonicContact CZ-OE1 2.69Å; R1698-E1717 IonicContact NH1-OE1 3.92Å; R1698-E1717 PolarHBondContact NH1-OE1 3Å; E1717-F1719 PolarHBondContact O-N 3.48Å
1718C74.9Confident79.1Confident90 Ų9063.3 Ų63.361%0.60832%0.318SS*.  trans-79.3109175.9-60.70000111.6N1646 N1716N1646-C1718 PolarHBondContact ND2-O 3.32Å; N1716-C1718 PolarHBondContact O-N 1.97Å
1719F81.6Confident77.2Confident44 Ų4465.9 Ų65.919%0.19332%0.319CS..  trans-80.1124167.4173-93.6000111.4F1691 L1693 D1694 V1712 E1717 K1721 Y1724F1691-F1719 HydrophobicContact CB-CD2 3.89Å; F1691-F1719 HydrophobicContact CB-CE2 4.41Å; F1691-F1719 HydrophobicContact CD1-CB 4.47Å; F1691-F1719 HydrophobicContact CD2-CB 4.35Å; F1691-F1719 HydrophobicContact CD2-CD2 4.33Å; F1691-F1719 HydrophobicContact CE2-CB 4.49Å; F1691-F1719 HydrophobicContact CG-CB 4.34Å; F1691-F1719 HydrophobicContact CG-CD2 4.13Å; L1693-F1719 WeakPolarHBondContact O-CZ 2.4Å; D1694-F1719 VanDerWaalsContact C-CZ 3.42Å; D1694-F1719 WeakPolarHBondContact O-CE1 3.41Å; V1712-F1719 HydrophobicContact CB-CD2 4.36Å; V1712-F1719 HydrophobicContact CB-CE2 3.97Å; V1712-F1719 HydrophobicContact CG1-CD2 4.18Å; V1712-F1719 HydrophobicContact CG1-CE2 4.02Å; V1712-F1719 HydrophobicContact CG2-CE2 3.97Å; E1717-F1719 PolarHBondContact O-N 3.48Å; F1719-K1721 HydrophobicContact CD1-CB 4.23Å; F1719-K1721 HydrophobicContact CE1-CB 3.77Å; F1719-K1721 HydrophobicContact CE1-CG 4.04Å; F1719-Y1724 AromaticContact CE2-CE2 3.8Å; F1719-Y1724 HydrophobicContact CE2-CE2 3.8Å; F1719-Y1724 HydrophobicContact CZ-CD2 4.46Å; F1719-Y1724 AromaticContact CZ-CE2 3.78Å; F1719-Y1724 HydrophobicContact CZ-CE2 3.78Å
1720K79.4Confident74.5Confident83 Ų8362 Ų6236%0.36130%0.303SS..  trans-87113.2173.5-151.7-168.6-156.5173.90108.1N1646 I1722 Y1724 E1804N1646-K1720 PolarHBondContact OD1-N 3.04Å; K1720-I1722 WeakPolarHBondContact O-CG1 3.37Å; K1720-I1722 PolarHBondContact O-N 2.9Å; K1720-Y1724 WeakPolarHBondContact O-CE2 3.47Å; K1720-Y1724 PolarHBondContact O-OH 3.17Å; K1720-E1804 IonicContact NZ-OE1 2.82Å; K1720-E1804 PolarHBondContact NZ-OE1 2.75Å; K1720-E1804 IonicContact NZ-OE2 2.66Å; K1720-E1804 PolarHBondContact NZ-OE2 2.72Å
1721K77.6Confident72Confident175 Ų17566.4 Ų66.476%0.76133%0.329SS*.  trans-79.4106.3-177.8-168.6166.5-172.5168.10111.4F1719F1719-K1721 HydrophobicContact CD1-CB 4.23Å; F1719-K1721 HydrophobicContact CE1-CB 3.77Å; F1719-K1721 HydrophobicContact CE1-CG 4.04Å
1722I77.3Confident69.5Low45 Ų4567.3 Ų67.323%0.23133%0.332CS..  trans-141.3163.3176.525.6161.6000109.2G1647 Q1649 K1720 Y1724G1647-I1722 WeakPolarHBondContact O-CD1 3.15Å; Q1649-I1722 HydrophobicContact CB-CB 4.32Å; Q1649-I1722 HydrophobicContact CB-CD1 3.79Å; Q1649-I1722 HydrophobicContact CB-CG2 4.39Å; K1720-I1722 WeakPolarHBondContact O-CG1 3.37Å; K1720-I1722 PolarHBondContact O-N 2.9Å; I1722-Y1724 VanDerWaalsContact C-N 3.3Å; I1722-Y1724 HydrophobicContact CD1-CD1 4.1Å; I1722-Y1724 HydrophobicContact CD1-CE1 3.44Å; I1722-Y1724 VanDerWaalsContact CD1-CE1 3.44Å; I1722-Y1724 HydrophobicContact CD1-CE2 4.32Å; I1722-Y1724 HydrophobicContact CG1-CD1 4.43Å; I1722-Y1724 HydrophobicContact CG1-CD2 4.37Å; I1722-Y1724 HydrophobicContact CG1-CE1 3.84Å; I1722-Y1724 HydrophobicContact CG1-CE2 3.77Å; I1722-Y1724 VanDerWaalsContact CG1-CZ 3.46Å; I1722-Y1724 VanDerWaalsContact O-CD2 3.25Å; I1722-Y1724 WeakPolarHBondContact O-CD2 3.23Å; I1722-Y1724 PolarHBondContact O-N 3.4Å
1723D78.2Confident66.8Low79 Ų7970.7 Ų70.742%0.42236%0.356SS..  trans-8177.1178.7-164.7-18000110.9Q1725 N1726D1723-Q1725 PolarHBondContact O-N 2.96Å; D1723-Q1725 PolarHBondContact OD1-N 2.81Å; D1723-N1726 HydrophobicContact CB-CB 4.44Å; D1723-N1726 CarbonylContact O-C 3.43Å; D1723-N1726 VanDerWaalsContact O-C 3.3Å; D1723-N1726 PolarHBondContact O-N 2.99Å; D1723-N1726 PolarHBondContact OD1-N 3.37Å; D1723-N1726 WeakPolarHBondContact OD2-CB 3.38Å; D1723-N1726 PolarHBondContact OD2-ND2 2.93Å
1724Y79.8Confident63.8Low2 Ų278.5 Ų78.51%0.00839%0.386CS..SBendtrans-61.4-18.6176.1-62.8-77.3000113.3Y1644 R1645 N1646 G1647 L1693 V1712 F1719 K1720 I1722 V1727Y1644-Y1724 HydrophobicContact CD1-CD1 4.41Å; Y1644-Y1724 WeakPolarHBondContact CE1-O 2.97Å; Y1644-Y1724 HydrophobicContact CG-CD1 4.23Å; Y1644-Y1724 HydrophobicContact CG-CG 4.42Å; Y1644-Y1724 PolarHBondContact OH-O 3.03Å; R1645-Y1724 WeakPolarHBondContact O-CE1 3.4Å; N1646-Y1724 WeakPolarHBondContact CA-OH 3.44Å; N1646-Y1724 PolarHBondContact OD1-OH 3.28Å; G1647-Y1724 PolarHBondContact N-OH 3.49Å; L1693-Y1724 VanDerWaalsContact CD2-CB 3.5Å; L1693-Y1724 HydrophobicContact CD2-CD2 4.25Å; L1693-Y1724 HydrophobicContact CD2-CG 4.25Å; V1712-Y1724 HydrophobicContact CB-CE2 4.44Å; V1712-Y1724 HydrophobicContact CG1-CE1 4.07Å; V1712-Y1724 HydrophobicContact CG1-CE2 3.96Å; V1712-Y1724 HydrophobicContact CG2-CD1 4.35Å; V1712-Y1724 HydrophobicContact CG2-CD2 3.62Å; V1712-Y1724 HydrophobicContact CG2-CE1 4.36Å; V1712-Y1724 HydrophobicContact CG2-CE2 3.65Å; V1712-Y1724 HydrophobicContact CG2-CG 4Å; F1719-Y1724 AromaticContact CE2-CE2 3.8Å; F1719-Y1724 HydrophobicContact CE2-CE2 3.8Å; F1719-Y1724 HydrophobicContact CZ-CD2 4.46Å; F1719-Y1724 AromaticContact CZ-CE2 3.78Å; F1719-Y1724 HydrophobicContact CZ-CE2 3.78Å; K1720-Y1724 WeakPolarHBondContact O-CE2 3.47Å; K1720-Y1724 PolarHBondContact O-OH 3.17Å; I1722-Y1724 VanDerWaalsContact C-N 3.3Å; I1722-Y1724 HydrophobicContact CD1-CD1 4.1Å; I1722-Y1724 HydrophobicContact CD1-CE1 3.44Å; I1722-Y1724 VanDerWaalsContact CD1-CE1 3.44Å; I1722-Y1724 HydrophobicContact CD1-CE2 4.32Å; I1722-Y1724 HydrophobicContact CG1-CD1 4.43Å; I1722-Y1724 HydrophobicContact CG1-CD2 4.37Å; I1722-Y1724 HydrophobicContact CG1-CE1 3.84Å; I1722-Y1724 HydrophobicContact CG1-CE2 3.77Å; I1722-Y1724 VanDerWaalsContact CG1-CZ 3.46Å; I1722-Y1724 VanDerWaalsContact O-CD2 3.25Å; I1722-Y1724 WeakPolarHBondContact O-CD2 3.23Å; I1722-Y1724 PolarHBondContact O-N 3.4Å; Y1724-V1727 WeakPolarHBondContact O-CG2 2.94Å
1725Q73.6Confident60.9Low132 Ų13281.8 Ų81.862%0.61742%0.421SS*.SBendtrans-81.6-50.4175.9-69.3-167.7-14.200111.1L1693 D1723 V1727L1693-Q1725 HydrophobicContact CD1-CG 3.71Å; L1693-Q1725 HydrophobicContact CD2-CG 4.21Å; D1723-Q1725 PolarHBondContact O-N 2.96Å; D1723-Q1725 PolarHBondContact OD1-N 2.81Å; Q1725-V1727 PolarHBondContact O-N 3.3Å
1726N66.2Low58.2Low109 Ų10990 Ų9058%0.58346%0.456SS*.SBendtrans-83.172.2170-62.6-63.9000110.1D1723 R1728D1723-N1726 HydrophobicContact CB-CB 4.44Å; D1723-N1726 CarbonylContact O-C 3.43Å; D1723-N1726 VanDerWaalsContact O-C 3.3Å; D1723-N1726 PolarHBondContact O-N 2.99Å; D1723-N1726 PolarHBondContact OD1-N 3.37Å; D1723-N1726 WeakPolarHBondContact OD2-CB 3.38Å; D1723-N1726 PolarHBondContact OD2-ND2 2.93Å; N1726-R1728 VanDerWaalsContact C-N 3.27Å; N1726-R1728 PolarHBondContact O-N 3.32Å
1727V52.4Low55.5Low31 Ų3196 Ų9619%0.18847%0.472CS..  trans-55.593.5169-178.10000108.5Y1644 Q1649 F1650 K1652 Y1724 Q1725 E1729Y1644-V1727 HydrophobicContact CE1-CG2 4.26Å; Q1649-V1727 WeakPolarHBondContact O-CA 3.34Å; Q1649-V1727 WeakPolarHBondContact O-CG1 3.48Å; F1650-V1727 WeakPolarHBondContact O-CG1 3.43Å; K1652-V1727 HydrophobicContact CG-CB 4.33Å; K1652-V1727 HydrophobicContact CG-CG1 3.72Å; K1652-V1727 HydrophobicContact CG-CG2 4.37Å; Y1724-V1727 WeakPolarHBondContact O-CG2 2.94Å; Q1725-V1727 PolarHBondContact O-N 3.3Å; V1727-E1729 PolarHBondContact O-N 2.76Å; V1727-E1729 VanDerWaalsContact O-N 3.12Å
1728R44.2Very low53.1Low165 Ų16595.7 Ų95.762%0.62348%0.483SS*.PPolyproline II helixtrans-63.5116.4174.8-68-177.4176.6-160.5-2.4105.6F1650 N1726F1650-R1728 WeakPolarHBondContact CD1-O 3.39Å; F1650-R1728 WeakPolarHBondContact CE1-O 3.41Å; N1726-R1728 VanDerWaalsContact C-N 3.27Å; N1726-R1728 PolarHBondContact O-N 3.32Å
1729E41Very low50.7Low91 Ų9198.8 Ų98.843%0.42549%0.493SS..PPolyproline II helixtrans-56.9140.3160.3-58.7-141.7147.600107K1652 V1727 V1731 K1797K1652-E1729 IonicContact NZ-OE1 2.82Å; K1652-E1729 PolarHBondContact NZ-OE1 3.41Å; V1727-E1729 PolarHBondContact O-N 2.76Å; V1727-E1729 VanDerWaalsContact O-N 3.12Å; E1729-V1731 WeakPolarHBondContact O-CG2 3.39Å; E1729-V1731 PolarHBondContact O-N 3.12Å; E1729-K1797 WeakPolarHBondContact OE2-CE 3.49Å; E1729-K1797 IonicContact OE2-NZ 2.64Å; E1729-K1797 PolarHBondContact OE2-NZ 2.79Å
1730P36.4Very low48Very low18 Ų18102 Ų10212%0.11752%0.52CS..PPolyproline II helixtrans-48.7122.817320.7-33000108.1F1650 W1732 R1801 L1835F1650-P1730 HydrophobicContact CD1-CB 4.4Å; F1650-P1730 HydrophobicContact CE1-CB 4.14Å; P1730-W1732 VanDerWaalsContact C-N 3.26Å; P1730-W1732 VanDerWaalsContact CG-NE1 3.31Å; P1730-W1732 PolarHBondContact O-N 3.38Å; P1730-R1801 WeakPolarHBondContact CB-O 3.28Å; P1730-R1801 WeakPolarHBondContact CG-O 3.43Å; P1730-L1835 HydrophobicContact CB-CD2 3.82Å
1731V36.8Very low45.5Very low110 Ų110107.2 Ų107.267%0.66754%0.543SS*.  trans-81.484.9-169.1-160.60000108.2E1729 S1733E1729-V1731 WeakPolarHBondContact O-CG2 3.39Å; E1729-V1731 PolarHBondContact O-N 3.12Å; V1731-S1733 WeakPolarHBondContact CG1-OG 2.82Å; V1731-S1733 PolarHBondContact O-N 3.09Å
1732W42.5Very low43Very low31 Ų31106.1 Ų106.112%0.11755%0.55CS.*  trans-69.864.6173.2-66.696.7000109.8P1730 V1773 N1796 K1797 A1800 F1839P1730-W1732 VanDerWaalsContact C-N 3.26Å; P1730-W1732 VanDerWaalsContact CG-NE1 3.31Å; P1730-W1732 PolarHBondContact O-N 3.38Å; W1732-V1773 HydrophobicContact CB-CB 4.12Å; W1732-V1773 HydrophobicContact CB-CG2 3.84Å; W1732-V1773 HydrophobicContact CD2-CB 4.38Å; W1732-V1773 HydrophobicContact CE3-CB 3.55Å; W1732-V1773 HydrophobicContact CE3-CG1 3.46Å; W1732-V1773 VanDerWaalsContact CE3-CG1 3.46Å; W1732-V1773 HydrophobicContact CE3-CG2 4.22Å; W1732-V1773 HydrophobicContact CZ3-CB 4.29Å; W1732-V1773 HydrophobicContact CZ3-CG1 3.8Å; W1732-V1773 VanDerWaalsContact O-CG2 3.29Å; W1732-V1773 WeakPolarHBondContact O-CG2 3.47Å; W1732-N1796 WeakPolarHBondContact CH2-O 3.44Å; W1732-N1796 VanDerWaalsContact CZ2-O 3.26Å; W1732-N1796 WeakPolarHBondContact CZ2-O 3.46Å; W1732-K1797 HydrophobicContact CD2-CB 4.45Å; W1732-K1797 HydrophobicContact CG-CD 4.43Å; W1732-K1797 VanDerWaalsContact CZ2-CA 3.49Å; W1732-K1797 HydrophobicContact CZ2-CB 4.23Å; W1732-A1800 HydrophobicContact CH2-CB 3.97Å; W1732-A1800 HydrophobicContact CZ2-CB 4.03Å; W1732-A1800 WeakPolarHBondContact CZ2-O 3.37Å; W1732-F1839 HydrophobicContact CE3-CE1 4.36Å; W1732-F1839 HydrophobicContact CE3-CE2 4.26Å; W1732-F1839 AromaticContact CE3-CZ 3.98Å; W1732-F1839 HydrophobicContact CE3-CZ 3.98Å; W1732-F1839 HydrophobicContact CH2-CE1 4.37Å; W1732-F1839 HydrophobicContact CH2-CE2 4.09Å; W1732-F1839 AromaticContact CH2-CZ 3.54Å; W1732-F1839 HydrophobicContact CH2-CZ 3.54Å; W1732-F1839 AromaticContact CZ3-CE1 3.6Å; W1732-F1839 HydrophobicContact CZ3-CE1 3.6Å; W1732-F1839 AromaticContact CZ3-CE2 3.73Å; W1732-F1839 HydrophobicContact CZ3-CE2 3.73Å; W1732-F1839 AromaticContact CZ3-CZ 3.1Å; W1732-F1839 HydrophobicContact CZ3-CZ 3.1Å
1733S34.8Very low40.6Very low72 Ų72107.2 Ų107.250%0.50357%0.573SS.*  trans-133.6124.6-179.764.20000111.1V1731 G1735V1731-S1733 WeakPolarHBondContact CG1-OG 2.82Å; V1731-S1733 PolarHBondContact O-N 3.09Å; S1733-G1735 PolarHBondContact O-N 3.13Å
1734Y29.9Very low38.3Very low163 Ų163109.1 Ų109.164%0.63959%0.592SS**  trans-72.3120.4168.6-110.4-120.1000109.2F1839Y1734-F1839 HydrophobicContact CE2-CB 4.29Å; Y1734-F1839 WeakPolarHBondContact CE2-O 3.14Å; Y1734-F1839 PolarHBondContact OH-O 3.39Å
1735G29.9Very low35.7Very low71 Ų71115 Ų11573%0.73263%0.633SS**  trans-134114.6-174.400000112.2S1733S1733-G1735 PolarHBondContact O-N 3.13Å
1736F27.3Very low33.6Very low181 Ų181112.8 Ų112.879%0.79464%0.638SS**  trans-80.4121.2-171.8-128.6-113.4000112.8
1737R24.4Very low31.9Very low209 Ų209113.7 Ų113.779%0.78965%0.648SS**  trans65.1125157-64.7-178.9176-170.9-2.2121.2
1738S26.5Very low30.9Very low109 Ų109119.4 Ų119.476%0.76268%0.682SS**  trans97.5128.6131.275.30000122.2
1739N24.6Very low30.2Very low154 Ų154114.4 Ų114.482%0.82468%0.683SS**  trans50.1104.3152.9-69-1.8000122
1740C25.7Very low29.7Very low112 Ų112118 Ų11876%0.75771%0.705SS**  178.7146.3123.9-91.50000109.3
1741K26.2Very low29.3Very low193 Ų193121.7 Ų121.784%0.83973%0.731SS**  cis-160127.5-12.5-117.3167.5-173.6172.90106.7
1742V26.3Very low29.1Very low151 Ų151121.9 Ų121.992%0.91574%0.737SS**  trans-91.5132.8164.6176.80000107.7
1743G26.3Very low28.5Very low69 Ų69125.7 Ų125.771%0.71177%0.769SS**  trans-111.7105.7177.400000111.9
1744S28.8Very low28.4Very low118 Ų118128.7 Ų128.783%0.82579%0.786SS**  trans-179.5121.8140.6-81.90000112.4
1745S26.1Very low28.4Very low125 Ų125124.1 Ų124.187%0.87479%0.789SS**  trans40.9107.1150.9-151.30000121.3
1746A30.1Very low28.5Very low87 Ų87127.1 Ų127.172%0.71979%0.793SS**  179.7125.811700000113.4
1747T29.7Very low28.5Very low128 Ų128123.1 Ų123.179%0.78579%0.787SS**  trans36.6118.4148.655.70000123
1748V31Very low28.7Very low150 Ų150119.3 Ų119.391%0.90979%0.788SS**  trans58.6133.2137.5-170.90000119
1749G29.7Very low28.8Very low61 Ų61118.1 Ų118.163%0.62978%0.779SS**  cis163.2146.7-4.500000111.6
1750D30.1Very low29.2Very low166 Ų166118.3 Ų118.389%0.88878%0.775SS**  trans58.6153.4169.2-69.6-22.8000120.3
1751S29.6Very low29.3Very low95 Ų95121.2 Ų121.266%0.66478%0.777SS**  cis-166.2165-21.256.40000111.5
1752S31.8Very low29.5Very low114 Ų114115.7 Ų115.780%0.79778%0.775SS**  trans67.5166.2161.678.40000120
1753S28.7Very low29.6Very low112 Ų112113.2 Ų113.278%0.78377%0.77SS**  -162.4162.7-67.644.10000111.6
1754P33.9Very low29.7Very low135 Ų135115.1 Ų115.188%0.87777%0.773SS**  trans-112.9175-163.742.2-35.5000117.4
1755G30.6Very low29.5Very low67 Ų67112.6 Ų112.669%0.69176%0.755SS**  trans176.9165.1167.500000111.9
1756T32Very low29.6Very low133 Ų133110.7 Ų110.782%0.81673%0.734SS**  cis-164.6149.5-2-25.20000110.7
1757S27.3Very low29.5Very low97 Ų97112.1 Ų112.168%0.67873%0.729SS**  trans47.1144.4144.560.90000121.4
1758T28.7Very low29.5Very low130 Ų130109.3 Ų109.380%0.79871%0.707SS**  cis-174.8-176.414.29.30000107.5
1759S28.4Very low29.4Very low84 Ų84106 Ų10659%0.58769%0.688SS**  cis-176.9168.1-3.5400000109.4
1760H32.6Very low29.3Very low157 Ų157109.9 Ų109.973%0.72770%0.695SS**  trans67.6144.7166-66.8-79.6000118.1
1761E28.2Very low29.5Very low174 Ų174108.1 Ų108.181%0.81369%0.686SS**  cis-168.5160.2-26.3-142.9159-155.200109.9
1762G28.8Very low30Very low77 Ų77106.5 Ų106.579%0.79467%0.667SS**  trans119.3158.2174.300000115.7
1763A29Very low30.8Very low98 Ų98102.3 Ų102.381%0.8164%0.636SS**  trans-157.7159.9-171.600000115.6
1764S28.2Very low31.7Very low109 Ų109100.2 Ų100.276%0.76261%0.614SS**  trans114.358.4153.5-43.90000120.8
1765S25.3Very low32.7Very low65 Ų6595.5 Ų95.546%0.45558%0.583SS.*  trans50.9124.6137.265.40000123.5M2288S1765-M2288 VanDerWaalsContact CB-SD 3.58Å
1766I28.2Very low34.7Very low86 Ų8694.4 Ų94.444%0.44156%0.558SS.*  trans168.9130.5135.4-90.6153.4000113D2289 E2290 L2291I1766-D2289 CarbonylContact C-O 3.54Å; I1766-D2289 CarbonylContact O-C 3.53Å; I1766-D2289 VanDerWaalsContact O-CA 3.27Å; I1766-D2289 WeakPolarHBondContact O-CA 3.45Å; I1766-E2290 PolarHBondContact O-N 2.82Å; I1766-L2291 HydrophobicContact CB-CD1 4.36Å; I1766-L2291 HydrophobicContact CG2-CD1 3.54Å; I1766-L2291 HydrophobicContact CG2-CG 3.95Å
1767L28.1Very low36.9Very low117 Ų11792 Ų9261%0.61354%0.539SS*.  trans94.113.5154.2-86.5171.9000134.2D2289L1767-D2289 CarbonylContact C-O 3.56Å; L1767-D2289 VanDerWaalsContact CA-O 3.28Å; L1767-D2289 WeakPolarHBondContact CA-O 3.46Å
1768E29.3Very low39.7Very low69 Ų6987.3 Ų87.332%0.32251%0.507SS..  trans-103.6175.4172-58-147.3143.200115.4T1925 S2287 M2288 D2289E1768-T1925 PolarHBondContact OE2-OG1 2.8Å; E1768-S2287 WeakPolarHBondContact O-CB 3.06Å; E1768-M2288 PolarHBondContact N-O 3.38Å; E1768-D2289 VanDerWaalsContact CB-N 3.34Å; E1768-D2289 HydrophobicContact CG-CB 4.5Å; E1768-D2289 WeakPolarHBondContact CG-O 3.31Å; E1768-D2289 PolarHBondContact N-O 3.27Å
1769P28.7Very low42.3Very low79 Ų7981.3 Ų81.351%0.51347%0.47SS..  -114.5164.6-87.128.5-9.6000113.2D1771 T1925P1769-D1771 PolarHBondContact O-N 3.32Å; P1769-T1925 HydrophobicContact CG-CG2 4.25Å
1770N27Very low45.2Very low144 Ų14477.3 Ų77.377%0.7744%0.442SS*.  trans-83.3100.5179.8-77.2-80.4000111.7F1772N1770-F1772 HydrophobicContact CB-CD2 4.17Å; N1770-F1772 HydrophobicContact CB-CE2 3.96Å; N1770-F1772 WeakPolarHBondContact O-CD2 3.29Å; N1770-F1772 PolarHBondContact O-N 3.27Å
1771D35.7Very low47.7Very low129 Ų12969.8 Ų69.869%0.6941%0.407SS*.  trans-5898.3171.1-89.2-15.9000111.8P1769P1769-D1771 PolarHBondContact O-N 3.32Å
1772F38.9Very low50.4Low61 Ų6162.4 Ų62.427%0.26837%0.372SS..  trans-87.3106.5167.2-80.2-159.2000108N1770 H1774 A2058 A2059 R2060N1770-F1772 HydrophobicContact CB-CD2 4.17Å; N1770-F1772 HydrophobicContact CB-CE2 3.96Å; N1770-F1772 WeakPolarHBondContact O-CD2 3.29Å; N1770-F1772 PolarHBondContact O-N 3.27Å; F1772-H1774 PolarHBondContact O-CE1 3.05Å; F1772-H1774 PolarHBondContact O-N 2.69Å; F1772-H1774 VanDerWaalsContact O-N 3.09Å; F1772-H1774 PolarHBondContact O-ND1 3.48Å; F1772-A2058 WeakPolarHBondContact CD1-O 3Å; F1772-A2059 VanDerWaalsContact CE1-O 3.26Å; F1772-A2059 WeakPolarHBondContact CE1-O 2.69Å; F1772-R2060 HydrophobicContact CD1-CB 4.35Å; F1772-R2060 HydrophobicContact CD1-CG 3.66Å; F1772-R2060 HydrophobicContact CE1-CB 3.8Å; F1772-R2060 VanDerWaalsContact CE1-CD 3.41Å; F1772-R2060 HydrophobicContact CE1-CG 3.51Å; F1772-R2060 VanDerWaalsContact CE1-CZ 3.45Å; F1772-R2060 VanDerWaalsContact CE1-NH1 3.35Å; F1772-R2060 VanDerWaalsContact CE2-NH1 3.3Å; F1772-R2060 VanDerWaalsContact CG-CZ 3.46Å; F1772-R2060 VanDerWaalsContact CG-NH2 3.29Å
1773V49Very low52.9Low25 Ų2559 Ų5915%0.15234%0.336CS..  trans-62.6122.5160.9178.80000108.3W1732 F1839W1732-V1773 HydrophobicContact CB-CB 4.12Å; W1732-V1773 HydrophobicContact CB-CG2 3.84Å; W1732-V1773 HydrophobicContact CD2-CB 4.38Å; W1732-V1773 HydrophobicContact CE3-CB 3.55Å; W1732-V1773 HydrophobicContact CE3-CG1 3.46Å; W1732-V1773 VanDerWaalsContact CE3-CG1 3.46Å; W1732-V1773 HydrophobicContact CE3-CG2 4.22Å; W1732-V1773 HydrophobicContact CZ3-CB 4.29Å; W1732-V1773 HydrophobicContact CZ3-CG1 3.8Å; W1732-V1773 VanDerWaalsContact O-CG2 3.29Å; W1732-V1773 WeakPolarHBondContact O-CG2 3.47Å; V1773-F1839 HydrophobicContact CG1-CD1 4.01Å; V1773-F1839 HydrophobicContact CG1-CE1 4Å
1774H47.2Very low54.9Low69 Ų6955.5 Ų55.532%0.31931%0.309SS..  trans-68.6135.4-178.2-65.128.4000109.3F1772 R1776 V2057 A2058F1772-H1774 PolarHBondContact O-CE1 3.05Å; F1772-H1774 PolarHBondContact O-N 2.69Å; F1772-H1774 VanDerWaalsContact O-N 3.09Å; F1772-H1774 PolarHBondContact O-ND1 3.48Å; H1774-R1776 PolarHBondContact O-N 2.66Å; H1774-V2057 HydrophobicContact CB-CG1 3.77Å; H1774-A2058 WeakPolarHBondContact NE2-CB 3.37Å
1775P55.9Low56.8Low35 Ų3555.8 Ų55.823%0.22730%0.301CS..  trans-43.5107.4165.1-31.331.3000113.4L1794 L1795 N1796 V2057P1775-L1794 HydrophobicContact CB-CD1 3.82Å; P1775-L1794 HydrophobicContact CB-CG 4.45Å; P1775-L1795 CarbonylContact C-O 3.53Å; P1775-L1795 WeakPolarHBondContact CA-O 3.2Å; P1775-N1796 HydrophobicContact CB-CB 3.83Å; P1775-N1796 HydrophobicContact CG-CB 3.84Å; P1775-V2057 HydrophobicContact CB-CG1 4.25Å; P1775-V2057 HydrophobicContact CB-CG2 4.38Å; P1775-V2057 WeakPolarHBondContact CD-O 3.17Å; P1775-V2057 HydrophobicContact CG-CG1 4.22Å; P1775-V2057 HydrophobicContact CG-CG2 4.38Å
1776R71.6Confident58.5Low44 Ų4456.2 Ų56.217%0.16629%0.294CS..EExtended strand (participates in β ladder)trans-98.5129.5-179.6-169.1-174.7-173.9-176.915.4111H1774 I1778 L1795 L1838 F1839 Q1840 D1842 D1843H1774-R1776 PolarHBondContact O-N 2.66Å; R1776-I1778 PolarHBondContact O-N 2.96Å; R1776-L1795 PolarHBondContact N-O 3.4Å; R1776-L1795 PolarHBondContact O-N 3.43Å; R1776-L1838 PolarHBondContact NH1-O 3.11Å; R1776-F1839 HydrophobicContact CB-CD1 4.18Å; R1776-F1839 HydrophobicContact CB-CE1 3.71Å; R1776-Q1840 VanDerWaalsContact CZ-O 3.28Å; R1776-Q1840 PolarHBondContact NH1-O 2.88Å; R1776-Q1840 PolarHBondContact NH2-O 3.41Å; R1776-D1842 PolarHBondContact NH1-O 3.23Å; R1776-D1842 VanDerWaalsContact NH2-C 3.34Å; R1776-D1842 PolarHBondContact NH2-O 3.23Å; R1776-D1843 IonicContact CZ-OD1 3.21Å; R1776-D1843 IonicContact NE-OD1 2.76Å; R1776-D1843 PolarHBondContact NE-OD1 3.03Å; R1776-D1843 IonicContact NH2-OD1 3.14Å; R1776-D1843 PolarHBondContact NH2-OD1 3.06Å
1777I79.1Confident60Low82 Ų8256.2 Ų56.242%0.42130%0.3SS..EExtended strand (participates in β ladder)trans-87.5105.6168.8-61.6176.5000108.5R1792 H1793 L1794I1777-R1792 HydrophobicContact CG2-CB 3.62Å; I1777-R1792 HydrophobicContact CG2-CG 4.06Å; I1777-H1793 WeakPolarHBondContact CA-O 3.18Å; I1777-L1794 HydrophobicContact CD1-CD1 4.38Å; I1777-L1794 HydrophobicContact CG1-CD1 3.53Å
1778I86.5Confident62.2Low0 Ų050.9 Ų50.90%027%0.272CS..EExtended strand (participates in β ladder)trans-81.3145.7168.761.8163.3000110.2R1776 V1780 R1792 H1793 L1795 L1810 L1838 F1845R1776-I1778 PolarHBondContact O-N 2.96Å; I1778-V1780 HydrophobicContact CD1-CG2 3.64Å; I1778-V1780 HydrophobicContact CG1-CG2 4.01Å; I1778-R1792 WeakPolarHBondContact O-CA 3.5Å; I1778-H1793 HydrophobicContact CG1-CB 4.17Å; I1778-H1793 WeakPolarHBondContact CG1-O 3.48Å; I1778-H1793 PolarHBondContact N-O 2.84Å; I1778-H1793 PolarHBondContact O-N 3.48Å; I1778-L1795 HydrophobicContact CB-CD1 4.48Å; I1778-L1795 HydrophobicContact CD1-CD1 4.05Å; I1778-L1795 HydrophobicContact CD1-CD2 4.15Å; I1778-L1795 HydrophobicContact CD1-CG 4.28Å; I1778-L1795 HydrophobicContact CG1-CD1 4.11Å; I1778-L1795 HydrophobicContact CG1-CD2 4.25Å; I1778-L1795 HydrophobicContact CG1-CG 4.05Å; I1778-L1795 HydrophobicContact CG2-CD1 3.57Å; I1778-L1795 HydrophobicContact CG2-CG 4.15Å; I1778-L1810 HydrophobicContact CD1-CD1 4.3Å; I1778-L1838 HydrophobicContact CD1-CD1 4.3Å; I1778-L1838 HydrophobicContact CD1-CD2 4.14Å; I1778-F1845 HydrophobicContact CB-CD2 3.98Å; I1778-F1845 HydrophobicContact CB-CE2 3.84Å; I1778-F1845 HydrophobicContact CD1-CD2 4.28Å; I1778-F1845 HydrophobicContact CG2-CD2 4.32Å; I1778-F1845 HydrophobicContact CG2-CE2 3.69Å
1779T83.7Confident64.2Low3 Ų352.7 Ų52.72%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-100.6123.7172.4-59.60000109.5V1790 D1843 L1844 F1845T1779-V1790 HydrophobicContact CG2-CG1 3.42Å; T1779-V1790 VanDerWaalsContact CG2-CG1 3.42Å; T1779-D1843 PolarHBondContact N-O 3.16Å; T1779-L1844 HydrophobicContact CG2-CD1 3.72Å; T1779-L1844 WeakPolarHBondContact O-CA 3.32Å; T1779-F1845 PolarHBondContact O-N 3.42Å
1780V87.8Confident66.5Low0 Ų050.7 Ų50.70%026%0.262CS..EExtended strand (participates in β ladder)trans-120118.6-175.2-176.60000110.2I1778 I1791 L1810 V1814 L1824 F1845 A1847I1778-V1780 HydrophobicContact CD1-CG2 3.64Å; I1778-V1780 HydrophobicContact CG1-CG2 4.01Å; V1780-I1791 PolarHBondContact N-O 3Å; V1780-I1791 PolarHBondContact O-N 2.96Å; V1780-L1810 HydrophobicContact CB-CD2 4.16Å; V1780-L1810 HydrophobicContact CG1-CD2 4.27Å; V1780-L1810 HydrophobicContact CG2-CD1 4.04Å; V1780-L1810 HydrophobicContact CG2-CD2 3.79Å; V1780-V1814 HydrophobicContact CG1-CG2 4.1Å; V1780-L1824 HydrophobicContact CG1-CD2 3.89Å; V1780-L1824 HydrophobicContact CG2-CD2 4.45Å; V1780-F1845 CarbonylContact C-O 3.58Å; V1780-F1845 VanDerWaalsContact CA-O 3.26Å; V1780-F1845 WeakPolarHBondContact CA-O 3.44Å; V1780-A1847 HydrophobicContact CG1-CB 3.51Å
1781L85.7Confident69.1Low0 Ų044.2 Ų44.20%023%0.227CC..EExtended strand (participates in β ladder)trans-88.3129172.1-83.7149.1000110.6N1783 R1788 V1790 F1827 L1844 F1845 L1846 A1847 L1860 V1868L1781-N1783 PolarHBondContact O-N 3.15Å; L1781-R1788 HydrophobicContact CD2-CB 3.71Å; L1781-V1790 HydrophobicContact CD2-CG2 3.99Å; L1781-F1827 HydrophobicContact CD1-CD2 4.23Å; L1781-F1827 HydrophobicContact CD1-CE2 3.32Å; L1781-F1827 HydrophobicContact CD1-CZ 3.71Å; L1781-L1844 HydrophobicContact CD1-CD1 3.69Å; L1781-L1844 HydrophobicContact CD1-CD2 4.2Å; L1781-L1844 HydrophobicContact CD1-CG 4.2Å; L1781-L1844 HydrophobicContact CG-CD1 4.31Å; L1781-F1845 PolarHBondContact N-O 2.9Å; L1781-L1846 HydrophobicContact CB-CD1 3.83Å; L1781-A1847 PolarHBondContact O-N 2.82Å; L1781-L1860 HydrophobicContact CD1-CD2 3.74Å; L1781-L1860 HydrophobicContact CD2-CD2 4.2Å; L1781-V1868 HydrophobicContact CD1-CG1 4.38Å; L1781-V1868 HydrophobicContact CD1-CG2 3.76Å; L1781-V1868 HydrophobicContact CD2-CG2 3.62Å; L1781-V1868 HydrophobicContact CG-CG2 3.83Å
1782R85.5Confident71.4Confident18 Ų1845 Ų457%0.06822%0.22CC..EExtended strand (participates in β ladder)trans-72.4117168.8-178168.1163.3169.1-11.4111.1K785 R1788 R1789 V1814 R1815 L1816 D1817K785-R1782 HydrophobicContact CD-CG 4.12Å; K785-R1782 PolarHBondContact NZ-O 2.87Å; R1782-R1788 WeakPolarHBondContact O-CB 3.4Å; R1782-R1788 WeakPolarHBondContact O-CD 3.43Å; R1782-R1788 VanDerWaalsContact O-CG 3.25Å; R1782-R1788 WeakPolarHBondContact O-CG 3.43Å; R1782-R1789 HydrophobicContact CB-CB 4.21Å; R1782-R1789 PolarHBondContact N-O 3.23Å; R1782-V1814 HydrophobicContact CB-CG1 3.67Å; R1782-V1814 WeakPolarHBondContact CD-O 3Å; R1782-V1814 HydrophobicContact CG-CG1 3.65Å; R1782-V1814 PolarHBondContact NH1-O 3.37Å; R1782-R1815 PolarHBondContact NE-O 3.33Å; R1782-R1815 PolarHBondContact NH1-O 3.07Å; R1782-R1815 PolarHBondContact NH2-O 2.81Å; R1782-R1815 VanDerWaalsContact NH2-O 3.09Å; R1782-L1816 HydrophobicContact CG-CD2 3.69Å; R1782-L1816 HydrophobicContact CG-CG 4.42Å; R1782-D1817 IonicContact CZ-OD1 3.86Å; R1782-D1817 IonicContact CZ-OD2 3.31Å; R1782-D1817 VanDerWaalsContact CZ-OD2 3.27Å; R1782-D1817 IonicContact NE-OD2 2.89Å; R1782-D1817 PolarHBondContact NE-OD2 2.84Å; R1782-D1817 IonicContact NH2-OD1 2.64Å; R1782-D1817 PolarHBondContact NH2-OD1 3.22Å; R1782-D1817 IonicContact NH2-OD2 2.77Å; R1782-D1817 PolarHBondContact NH2-OD2 2.88Å
1783N80.6Confident73.5Confident7 Ų743.4 Ų43.44%0.03721%0.214CC..SBendtrans-55.1158.5171.8-164.225.8000113.2K785 L1781 L1816 L1846 A1847 C1848 E1851 D1857K785-N1783 WeakPolarHBondContact CE-O 3.4Å; K785-N1783 VanDerWaalsContact NZ-C 3.33Å; K785-N1783 PolarHBondContact NZ-O 3.06Å; L1781-N1783 PolarHBondContact O-N 3.15Å; N1783-L1816 HydrophobicContact CB-CD2 4.08Å; N1783-L1846 HydrophobicContact CB-CD1 4.38Å; N1783-L1846 HydrophobicContact CB-CD2 4.44Å; N1783-L1846 HydrophobicContact CB-CG 4.31Å; N1783-A1847 WeakPolarHBondContact CB-O 3.25Å; N1783-A1847 PolarHBondContact N-O 3.13Å; N1783-A1847 VanDerWaalsContact N-O 3.09Å; N1783-C1848 PolarHBondContact ND2-SG 2.89Å; N1783-E1851 VanDerWaalsContact ND2-CG 3.35Å; N1783-E1851 WeakPolarHBondContact ND2-CG 3.33Å; N1783-E1851 PolarHBondContact ND2-OE1 3.29Å; N1783-D1857 PolarHBondContact OD1-OD1 3.41Å; N1783-D1857 PolarHBondContact OD1-OD2 2.92Å
1784G70.9Confident75Confident24 Ų2445.4 Ų45.425%0.24722%0.223CC..SBendtrans102.8-159.5-17400000113.3K785 R1788K785-G1784 PolarHBondContact NZ-O 3.31Å; G1784-R1788 VanDerWaalsContact O-CD 3.29Å; G1784-R1788 WeakPolarHBondContact O-CD 3.45Å; G1784-R1788 WeakPolarHBondContact O-CG 3.19Å
1785I67.4Low76.6Confident114 Ų11442.1 Ų42.159%0.58521%0.208SC*.SBendtrans-58.4143.3-165.9-56.1173.8000113.2D784 K785 R1788D784-I1785 HydrophobicContact CB-CD1 3.89Å; D784-I1785 HydrophobicContact CB-CG1 4.3Å; D784-I1785 PolarHBondContact OD1-N 2.94Å; K785-I1785 PolarHBondContact NZ-O 2.93Å; I1785-R1788 VanDerWaalsContact O-CG 3.31Å; I1785-R1788 WeakPolarHBondContact O-CG 2.95Å
1786K62.7Low77.1Confident75 Ų7541.8 Ų41.833%0.32620%0.204SC..SBendtrans-89.1144.6178.9-49.8-169.8-177.3-175.20111.5R1788 D1856 Y1859 D1861 E1864K1786-R1788 HydrophobicContact CG-CG 4.41Å; K1786-D1856 PolarHBondContact NZ-O 2.91Å; K1786-Y1859 PolarHBondContact NZ-O 3.4Å; K1786-D1861 WeakPolarHBondContact CB-OD2 3.48Å; K1786-E1864 WeakPolarHBondContact CB-OE1 3.46Å; K1786-E1864 VanDerWaalsContact CG-OE1 3.32Å; K1786-E1864 WeakPolarHBondContact CG-OE1 3.48Å
1787P59.8Low76.5Confident85 Ų8544.1 Ų44.155%0.55222%0.216SC*.SBendcis-74.9123.5-130.2-34.5000111.9E1864P1787-E1864 HydrophobicContact CB-CG 3.8Å
1788R73.1Confident75.6Confident6 Ų647.5 Ų47.52%0.02322%0.223CC..PPolyproline II helixtrans-70.4138-174.1-73.9170.5-74.1-179.91.4111.4L1781 R1782 G1784 I1785 K1786 V1790 D1857 Y1859 E1864L1781-R1788 HydrophobicContact CD2-CB 3.71Å; R1782-R1788 WeakPolarHBondContact O-CB 3.4Å; R1782-R1788 WeakPolarHBondContact O-CD 3.43Å; R1782-R1788 VanDerWaalsContact O-CG 3.25Å; R1782-R1788 WeakPolarHBondContact O-CG 3.43Å; G1784-R1788 VanDerWaalsContact O-CD 3.29Å; G1784-R1788 WeakPolarHBondContact O-CD 3.45Å; G1784-R1788 WeakPolarHBondContact O-CG 3.19Å; I1785-R1788 VanDerWaalsContact O-CG 3.31Å; I1785-R1788 WeakPolarHBondContact O-CG 2.95Å; K1786-R1788 HydrophobicContact CG-CG 4.41Å; R1788-V1790 PolarHBondContact O-N 3.42Å; R1788-V1790 VanDerWaalsContact O-N 3.11Å; R1788-D1857 VanDerWaalsContact NH1-CA 3.31Å; R1788-D1857 PolarHBondContact NH1-O 2.86Å; R1788-D1857 IonicContact NH1-OD1 3.09Å; R1788-Y1859 PolarHBondContact NH2-O 3.16Å; R1788-E1864 VanDerWaalsContact CB-OE1 3.24Å; R1788-E1864 WeakPolarHBondContact CB-OE1 3.26Å; R1788-E1864 WeakPolarHBondContact CG-OE1 3.44Å; R1788-E1864 IonicContact CZ-OE1 2.74Å; R1788-E1864 IonicContact CZ-OE2 2.71Å; R1788-E1864 PolarHBondContact N-OE1 3.44Å; R1788-E1864 IonicContact NE-OE1 2.71Å; R1788-E1864 PolarHBondContact NE-OE1 3.29Å; R1788-E1864 IonicContact NE-OE2 3.94Å; R1788-E1864 PolarHBondContact NE-OE2 2.93Å; R1788-E1864 IonicContact NH2-OE1 3.07Å; R1788-E1864 IonicContact NH2-OE2 2.86Å; R1788-E1864 PolarHBondContact NH2-OE2 3.4Å
1789R72Confident74.5Confident106 Ų10650 Ų5040%0.424%0.238SC..  trans-62.5114.4178.1-176.7175.3173.5-131.6-6.9110.4R1782 I1791 V1813 V1814R1782-R1789 HydrophobicContact CB-CB 4.21Å; R1782-R1789 PolarHBondContact N-O 3.23Å; R1789-I1791 HydrophobicContact CG-CD1 4.32Å; R1789-I1791 HydrophobicContact CG-CG1 4.38Å; R1789-V1813 PolarHBondContact NH1-O 3.04Å; R1789-V1813 PolarHBondContact NH2-O 3.42Å; R1789-V1814 PolarHBondContact NH1-O 2.97Å
1790V77.5Confident74Confident37 Ų3749.9 Ų49.922%0.22424%0.238CC..EExtended strand (participates in β ladder)trans-83.6135173.3-171.10000109.8T1779 L1781 R1788 F1867 V1868T1779-V1790 HydrophobicContact CG2-CG1 3.42Å; T1779-V1790 VanDerWaalsContact CG2-CG1 3.42Å; L1781-V1790 HydrophobicContact CD2-CG2 3.99Å; R1788-V1790 PolarHBondContact O-N 3.42Å; R1788-V1790 VanDerWaalsContact O-N 3.11Å; V1790-F1867 HydrophobicContact CG2-CB 3.81Å; V1790-V1868 HydrophobicContact CG1-CG2 4.34Å; V1790-V1868 HydrophobicContact CG2-CG2 3.5Å
1791I80.6Confident72.9Confident9 Ų957 Ų575%0.04627%0.265CS..EExtended strand (participates in β ladder)trans-131.8121.5179.7-77.2154.4000108.8V1780 R1789 L1810 V1813 V1814V1780-I1791 PolarHBondContact N-O 3Å; V1780-I1791 PolarHBondContact O-N 2.96Å; R1789-I1791 HydrophobicContact CG-CD1 4.32Å; R1789-I1791 HydrophobicContact CG-CG1 4.38Å; I1791-L1810 HydrophobicContact CG2-CD2 4.42Å; I1791-V1813 HydrophobicContact CD1-CG1 4.16Å; I1791-V1813 HydrophobicContact CG1-CG1 4.22Å; I1791-V1813 HydrophobicContact CG2-CG1 3.58Å; I1791-V1814 HydrophobicContact CD1-CB 3.97Å; I1791-V1814 HydrophobicContact CD1-CG1 4.33Å; I1791-V1814 HydrophobicContact CD1-CG2 3.66Å
1792R83.8Confident72.3Confident144 Ų14457.3 Ų57.354%0.54327%0.267SS..EExtended strand (participates in β ladder)trans-92.1126.2171.2-73.9-178.2-175.4168.54.8108.5I1777 I1778I1777-R1792 HydrophobicContact CG2-CB 3.62Å; I1777-R1792 HydrophobicContact CG2-CG 4.06Å; I1778-R1792 WeakPolarHBondContact O-CA 3.5Å
1793H83Confident72.2Confident28 Ų2858 Ų5813%0.1327%0.27CS..EExtended strand (participates in β ladder)trans-129.8124.7-173-166.867.4000110.7I1777 I1778 L1795 L1810I1777-H1793 WeakPolarHBondContact CA-O 3.18Å; I1778-H1793 HydrophobicContact CG1-CB 4.17Å; I1778-H1793 WeakPolarHBondContact CG1-O 3.48Å; I1778-H1793 PolarHBondContact N-O 2.84Å; I1778-H1793 PolarHBondContact O-N 3.48Å; H1793-L1795 PolarHBondContact O-N 3.29Å; H1793-L1810 HydrophobicContact CB-CD2 3.77Å
1794L81.5Confident72.2Confident67 Ų6761.9 Ų61.935%0.35129%0.288SS..EExtended strand (participates in β ladder)trans-86.9107-173.2-175.970.1000111.3P1775 I1777 N1796 T1799P1775-L1794 HydrophobicContact CB-CD1 3.82Å; P1775-L1794 HydrophobicContact CB-CG 4.45Å; I1777-L1794 HydrophobicContact CD1-CD1 4.38Å; I1777-L1794 HydrophobicContact CG1-CD1 3.53Å; L1794-N1796 WeakPolarHBondContact CD2-ND2 3.34Å; L1794-T1799 PolarHBondContact O-OG1 3.35Å
1795L80.7Confident72.6Confident0 Ų062.8 Ų62.80%029%0.286CS..EExtended strand (participates in β ladder)trans-86.7109.2172.1-48.1-176.6000110P1775 R1776 I1778 H1793 A1800 V1806 L1838 F1839P1775-L1795 CarbonylContact C-O 3.53Å; P1775-L1795 WeakPolarHBondContact CA-O 3.2Å; R1776-L1795 PolarHBondContact N-O 3.4Å; R1776-L1795 PolarHBondContact O-N 3.43Å; I1778-L1795 HydrophobicContact CB-CD1 4.48Å; I1778-L1795 HydrophobicContact CD1-CD1 4.05Å; I1778-L1795 HydrophobicContact CD1-CD2 4.15Å; I1778-L1795 HydrophobicContact CD1-CG 4.28Å; I1778-L1795 HydrophobicContact CG1-CD1 4.11Å; I1778-L1795 HydrophobicContact CG1-CD2 4.25Å; I1778-L1795 HydrophobicContact CG1-CG 4.05Å; I1778-L1795 HydrophobicContact CG2-CD1 3.57Å; I1778-L1795 HydrophobicContact CG2-CG 4.15Å; H1793-L1795 PolarHBondContact O-N 3.29Å; L1795-A1800 HydrophobicContact CB-CB 3.75Å; L1795-A1800 HydrophobicContact CD2-CB 3.89Å; L1795-A1800 HydrophobicContact CG-CB 4.37Å; L1795-V1806 HydrophobicContact CD2-CB 4.49Å; L1795-V1806 HydrophobicContact CD2-CG1 3.72Å; L1795-V1806 HydrophobicContact CD2-CG2 3.84Å; L1795-L1838 HydrophobicContact CD1-CB 3.6Å; L1795-L1838 HydrophobicContact CD1-CD1 3.87Å; L1795-L1838 HydrophobicContact CD1-CG 4.33Å; L1795-F1839 HydrophobicContact CB-CE1 4.24Å; L1795-F1839 HydrophobicContact CB-CE2 4.48Å; L1795-F1839 HydrophobicContact CB-CZ 3.6Å; L1795-F1839 HydrophobicContact CD1-CE1 4.49Å; L1795-F1839 HydrophobicContact CD1-CE2 4.13Å; L1795-F1839 HydrophobicContact CD1-CZ 3.84Å; L1795-F1839 HydrophobicContact CG-CZ 4.41Å
1796N65.8Low73.5Confident28 Ų2857.4 Ų57.415%0.1526%0.258CS..  trans-137.7169.417369.752.2000111.2W1732 P1775 L1794 R1798 T1799 A1800W1732-N1796 WeakPolarHBondContact CH2-O 3.44Å; W1732-N1796 VanDerWaalsContact CZ2-O 3.26Å; W1732-N1796 WeakPolarHBondContact CZ2-O 3.46Å; P1775-N1796 HydrophobicContact CB-CB 3.83Å; P1775-N1796 HydrophobicContact CG-CB 3.84Å; L1794-N1796 WeakPolarHBondContact CD2-ND2 3.34Å; N1796-R1798 PolarHBondContact O-N 2.77Å; N1796-R1798 WeakPolarHBondContact OD1-CA 3.49Å; N1796-R1798 WeakPolarHBondContact OD1-CB 3.28Å; N1796-R1798 PolarHBondContact OD1-N 2.86Å; N1796-T1799 PolarHBondContact N-OG1 3.37Å; N1796-T1799 PolarHBondContact O-N 2.7Å; N1796-T1799 PolarHBondContact O-OG1 2.68Å; N1796-T1799 PolarHBondContact OD1-N 3Å; N1796-T1799 PolarHBondContact OD1-OG1 3.29Å; N1796-A1800 PolarHBondContact O-N 2.88Å
1797K58.5Low74.7Confident94 Ų9454.8 Ų54.841%0.40925%0.248SC..THydrogen-bonded Turntrans-62.2-12.5-175.7-171.6163-177.1-178.90114.8E1729 W1732E1729-K1797 WeakPolarHBondContact OE2-CE 3.49Å; E1729-K1797 IonicContact OE2-NZ 2.64Å; E1729-K1797 PolarHBondContact OE2-NZ 2.79Å; W1732-K1797 HydrophobicContact CD2-CB 4.45Å; W1732-K1797 HydrophobicContact CG-CD 4.43Å; W1732-K1797 VanDerWaalsContact CZ2-CA 3.49Å; W1732-K1797 HydrophobicContact CZ2-CB 4.23Å
1798R61.8Low75.8Confident152 Ų15251.7 Ų51.757%0.57423%0.228SC*.THydrogen-bonded Turntrans-87.3-45.6168.5-71.8-176174178.4-0.9112.6N1796 R1801N1796-R1798 PolarHBondContact O-N 2.77Å; N1796-R1798 WeakPolarHBondContact OD1-CA 3.49Å; N1796-R1798 WeakPolarHBondContact OD1-CB 3.28Å; N1796-R1798 PolarHBondContact OD1-N 2.86Å; R1798-R1801 PolarHBondContact O-NE 3.19Å; R1798-R1801 VanDerWaalsContact O-NE 3.11Å
1799T63Low76.2Confident53 Ų5353.2 Ų53.233%0.32524%0.237SC..THydrogen-bonded Turntrans-81-60.4-17554.80000112.8L1794 N1796 R1801L1794-T1799 PolarHBondContact O-OG1 3.35Å; N1796-T1799 PolarHBondContact N-OG1 3.37Å; N1796-T1799 PolarHBondContact O-N 2.7Å; N1796-T1799 PolarHBondContact O-OG1 2.68Å; N1796-T1799 PolarHBondContact OD1-N 3Å; N1796-T1799 PolarHBondContact OD1-OG1 3.29Å; T1799-R1801 VanDerWaalsContact C-N 3.28Å; T1799-R1801 PolarHBondContact O-N 3.33Å
1800A71.6Confident76.9Confident1 Ų148.1 Ų48.11%0.00822%0.218CC..  trans-84.963.6-168.700000112.1W1732 L1795 N1796 V1806 L1835W1732-A1800 HydrophobicContact CH2-CB 3.97Å; W1732-A1800 HydrophobicContact CZ2-CB 4.03Å; W1732-A1800 WeakPolarHBondContact CZ2-O 3.37Å; L1795-A1800 HydrophobicContact CB-CB 3.75Å; L1795-A1800 HydrophobicContact CD2-CB 3.89Å; L1795-A1800 HydrophobicContact CG-CB 4.37Å; N1796-A1800 PolarHBondContact O-N 2.88Å; A1800-V1806 HydrophobicContact CB-CG2 3.53Å; A1800-L1835 HydrophobicContact CB-CD1 4.21Å; A1800-L1835 WeakPolarHBondContact O-CD2 3.34Å
1801R65.4Low77.4Confident150 Ų15047.4 Ų47.457%0.56621%0.214SC*.SBendtrans-73.8-24.7-174.9-63.4-170.3-172.5-170.23.7114.4F1650 P1730 R1798 T1799F1650-R1801 VanDerWaalsContact CD1-O 3.32Å; F1650-R1801 WeakPolarHBondContact CD1-O 3.47Å; F1650-R1801 WeakPolarHBondContact CG-O 3.5Å; P1730-R1801 WeakPolarHBondContact CB-O 3.28Å; P1730-R1801 WeakPolarHBondContact CG-O 3.43Å; R1798-R1801 PolarHBondContact O-NE 3.19Å; R1798-R1801 VanDerWaalsContact O-NE 3.11Å; T1799-R1801 VanDerWaalsContact C-N 3.28Å; T1799-R1801 PolarHBondContact O-N 3.33Å
1802S73Confident77.3Confident5 Ų551.1 Ų51.14%0.03524%0.237CC..  trans-154.4161.9178.179.20000110.3E1804 Q1805 V1806S1802-E1804 VanDerWaalsContact C-N 3.31Å; S1802-Q1805 PolarHBondContact O-N 3.24Å; S1802-Q1805 WeakPolarHBondContact OG-CB 3.12Å; S1802-Q1805 PolarHBondContact OG-N 2.75Å; S1802-V1806 WeakPolarHBondContact O-CG2 3.25Å; S1802-V1806 PolarHBondContact O-N 3.26Å
1803F83.2Confident77.1Confident32 Ų3246.8 Ų46.814%0.1423%0.227CC..Hα-helixtrans-66-36.5175.4-172.1-126.7000111.9V1806 L1807 L1824 V1832 L1835 L1838F1803-V1806 PolarHBondContact O-N 3.07Å; F1803-L1807 HydrophobicContact CD1-CD1 3.98Å; F1803-L1807 HydrophobicContact CE1-CD1 3.72Å; F1803-L1807 HydrophobicContact CE1-CG 4.32Å; F1803-L1807 HydrophobicContact CE2-CG 4.35Å; F1803-L1807 HydrophobicContact CZ-CD1 4.05Å; F1803-L1807 HydrophobicContact CZ-CD2 4.23Å; F1803-L1807 HydrophobicContact CZ-CG 4.18Å; F1803-L1807 WeakPolarHBondContact O-CG 3.45Å; F1803-L1807 PolarHBondContact O-N 3.34Å; F1803-L1824 HydrophobicContact CE2-CD1 4.16Å; F1803-V1832 HydrophobicContact CD2-CG1 4.42Å; F1803-V1832 HydrophobicContact CE2-CB 4.23Å; F1803-V1832 HydrophobicContact CE2-CG1 3.41Å; F1803-V1832 VanDerWaalsContact CE2-CG1 3.41Å; F1803-V1832 HydrophobicContact CZ-CB 3.93Å; F1803-V1832 HydrophobicContact CZ-CG1 3.57Å; F1803-V1832 WeakPolarHBondContact CZ-O 3.42Å; F1803-L1835 HydrophobicContact CB-CB 4.31Å; F1803-L1838 HydrophobicContact CD2-CD1 4.06Å; F1803-L1838 HydrophobicContact CE2-CD1 4Å; F1803-L1838 HydrophobicContact CE2-CG 4.28Å
1804E80.1Confident77Confident90 Ų9045.4 Ų45.442%0.42122%0.22SC..Hα-helixtrans-70.5-34.1176.9-68.5174116.500111.9K1720 S1802 L1807 S1808K1720-E1804 IonicContact NZ-OE1 2.82Å; K1720-E1804 PolarHBondContact NZ-OE1 2.75Å; K1720-E1804 IonicContact NZ-OE2 2.66Å; K1720-E1804 PolarHBondContact NZ-OE2 2.72Å; S1802-E1804 VanDerWaalsContact C-N 3.31Å; E1804-L1807 PolarHBondContact O-N 3.28Å; E1804-S1808 WeakPolarHBondContact O-CB 3.17Å; E1804-S1808 PolarHBondContact O-N 3.1Å
1805Q80.5Confident76.7Confident43 Ų4350.4 Ų50.420%0.20124%0.235CC..Hα-helixtrans-62.8-48.2169.7-176.867.149.900110.6S1802 L1807 S1808 D1809S1802-Q1805 PolarHBondContact O-N 3.24Å; S1802-Q1805 WeakPolarHBondContact OG-CB 3.12Å; S1802-Q1805 PolarHBondContact OG-N 2.75Å; Q1805-L1807 PolarHBondContact O-N 3.22Å; Q1805-S1808 CarbonylContact O-C 3.57Å; Q1805-S1808 WeakPolarHBondContact O-CA 3.18Å; Q1805-S1808 WeakPolarHBondContact O-CB 3.42Å; Q1805-S1808 PolarHBondContact O-N 3.05Å; Q1805-D1809 PolarHBondContact NE2-OD1 3.25Å; Q1805-D1809 PolarHBondContact NE2-OD2 2.93Å; Q1805-D1809 VanDerWaalsContact O-CG 3.28Å; Q1805-D1809 PolarHBondContact O-N 2.95Å
1806V85Confident76.4Confident0 Ų051 Ų510%024%0.237CC..Hα-helixtrans-63.2-40.2178.2173.90000111.6L1795 A1800 S1802 F1803 S1808 L1810 L1835 L1838L1795-V1806 HydrophobicContact CD2-CB 4.49Å; L1795-V1806 HydrophobicContact CD2-CG1 3.72Å; L1795-V1806 HydrophobicContact CD2-CG2 3.84Å; A1800-V1806 HydrophobicContact CB-CG2 3.53Å; S1802-V1806 WeakPolarHBondContact O-CG2 3.25Å; S1802-V1806 PolarHBondContact O-N 3.26Å; F1803-V1806 PolarHBondContact O-N 3.07Å; V1806-S1808 VanDerWaalsContact C-N 3.27Å; V1806-S1808 PolarHBondContact O-N 3.16Å; V1806-L1810 HydrophobicContact CG1-CD1 3.81Å; V1806-L1810 HydrophobicContact CG1-CG 4.36Å; V1806-L1810 VanDerWaalsContact O-CB 3.23Å; V1806-L1810 WeakPolarHBondContact O-CB 3.5Å; V1806-L1810 WeakPolarHBondContact O-CD1 2.74Å; V1806-L1810 WeakPolarHBondContact O-CG 3.35Å; V1806-L1810 PolarHBondContact O-N 3.16Å; V1806-L1835 HydrophobicContact CG2-CD1 3.89Å; V1806-L1838 HydrophobicContact CB-CD1 4.44Å; V1806-L1838 HydrophobicContact CG1-CD1 3.7Å
1807L88.7Confident76.6Confident21 Ų2151.2 Ų51.211%0.1124%0.239CC..Hα-helixtrans-61.9-33.9172.4-73.4171.7000112.2F1803 E1804 Q1805 S1811 V1821 L1824F1803-L1807 HydrophobicContact CD1-CD1 3.98Å; F1803-L1807 HydrophobicContact CE1-CD1 3.72Å; F1803-L1807 HydrophobicContact CE1-CG 4.32Å; F1803-L1807 HydrophobicContact CE2-CG 4.35Å; F1803-L1807 HydrophobicContact CZ-CD1 4.05Å; F1803-L1807 HydrophobicContact CZ-CD2 4.23Å; F1803-L1807 HydrophobicContact CZ-CG 4.18Å; F1803-L1807 WeakPolarHBondContact O-CG 3.45Å; F1803-L1807 PolarHBondContact O-N 3.34Å; E1804-L1807 PolarHBondContact O-N 3.28Å; Q1805-L1807 PolarHBondContact O-N 3.22Å; L1807-S1811 WeakPolarHBondContact O-CB 3.23Å; L1807-S1811 PolarHBondContact O-N 3.33Å; L1807-S1811 PolarHBondContact O-OG 2.92Å; L1807-V1821 HydrophobicContact CD2-CG1 3.88Å; L1807-L1824 HydrophobicContact CD2-CD1 3.74Å; L1807-L1824 HydrophobicContact CD2-CG 3.87Å
1808S82.8Confident77.1Confident20 Ų2048.7 Ų48.714%0.1423%0.233CC..Hα-helixtrans-78.1-42.2177.1-173.40000113.6V1681 E1804 Q1805 V1806 L1810 S1811 T1812V1681-S1808 VanDerWaalsContact CG2-OG 3.23Å; V1681-S1808 WeakPolarHBondContact CG2-OG 3.17Å; E1804-S1808 WeakPolarHBondContact O-CB 3.17Å; E1804-S1808 PolarHBondContact O-N 3.1Å; Q1805-S1808 CarbonylContact O-C 3.57Å; Q1805-S1808 WeakPolarHBondContact O-CA 3.18Å; Q1805-S1808 WeakPolarHBondContact O-CB 3.42Å; Q1805-S1808 PolarHBondContact O-N 3.05Å; V1806-S1808 VanDerWaalsContact C-N 3.27Å; V1806-S1808 PolarHBondContact O-N 3.16Å; S1808-L1810 VanDerWaalsContact C-N 3.29Å; S1808-L1810 PolarHBondContact O-N 3.43Å; S1808-S1811 CarbonylContact O-C 3.52Å; S1808-S1811 WeakPolarHBondContact O-CA 3.46Å; S1808-S1811 VanDerWaalsContact O-CB 3.24Å; S1808-S1811 WeakPolarHBondContact O-CB 3.18Å; S1808-S1811 PolarHBondContact O-N 2.9Å; S1808-T1812 PolarHBondContact O-N 3.07Å
1809D81.8Confident77.8Confident37 Ų3743.3 Ų43.320%0.19823%0.225CC..Hα-helixtrans-60.1-45.3173.6-65.8-22000109.2Q1805 S1811 T1812 V1813Q1805-D1809 PolarHBondContact NE2-OD1 3.25Å; Q1805-D1809 PolarHBondContact NE2-OD2 2.93Å; Q1805-D1809 VanDerWaalsContact O-CG 3.28Å; Q1805-D1809 PolarHBondContact O-N 2.95Å; D1809-S1811 VanDerWaalsContact C-N 3.32Å; D1809-S1811 PolarHBondContact O-N 3.44Å; D1809-T1812 PolarHBondContact O-N 2.91Å; D1809-T1812 PolarHBondContact O-OG1 2.89Å; D1809-V1813 WeakPolarHBondContact O-CG2 3.15Å; D1809-V1813 PolarHBondContact O-N 3.11Å
1810L87.1Confident78.5Confident0 Ų043.1 Ų43.10%023%0.229CC..Hα-helixtrans-62.8-33.8169.3-68.2170.9000112.5I1778 V1780 I1791 H1793 V1806 S1808 T1812 V1813 V1814 V1821 L1824I1778-L1810 HydrophobicContact CD1-CD1 4.3Å; V1780-L1810 HydrophobicContact CB-CD2 4.16Å; V1780-L1810 HydrophobicContact CG1-CD2 4.27Å; V1780-L1810 HydrophobicContact CG2-CD1 4.04Å; V1780-L1810 HydrophobicContact CG2-CD2 3.79Å; I1791-L1810 HydrophobicContact CG2-CD2 4.42Å; H1793-L1810 HydrophobicContact CB-CD2 3.77Å; V1806-L1810 HydrophobicContact CG1-CD1 3.81Å; V1806-L1810 HydrophobicContact CG1-CG 4.36Å; V1806-L1810 VanDerWaalsContact O-CB 3.23Å; V1806-L1810 WeakPolarHBondContact O-CB 3.5Å; V1806-L1810 WeakPolarHBondContact O-CD1 2.74Å; V1806-L1810 WeakPolarHBondContact O-CG 3.35Å; V1806-L1810 PolarHBondContact O-N 3.16Å; S1808-L1810 VanDerWaalsContact C-N 3.29Å; S1808-L1810 PolarHBondContact O-N 3.43Å; L1810-T1812 PolarHBondContact O-N 3.33Å; L1810-V1813 PolarHBondContact O-N 3.43Å; L1810-V1814 HydrophobicContact CB-CG2 4.11Å; L1810-V1814 HydrophobicContact CD2-CG2 4.2Å; L1810-V1814 WeakPolarHBondContact O-CA 3.22Å; L1810-V1814 WeakPolarHBondContact O-CB 3.2Å; L1810-V1814 WeakPolarHBondContact O-CG2 2.84Å; L1810-V1814 PolarHBondContact O-N 2.7Å; L1810-V1821 HydrophobicContact CB-CG2 4.33Å; L1810-L1824 HydrophobicContact CD1-CD1 3.71Å; L1810-L1824 HydrophobicContact CD1-CD2 4.1Å; L1810-L1824 HydrophobicContact CD1-CG 4.45Å
1811S87.6Confident79.2Confident22 Ų2243.3 Ų43.315%0.15423%0.23CC..Hα-helixtrans-60.3-43.4172.9-64.10000112.4L1807 S1808 D1809 R1815 V1821L1807-S1811 WeakPolarHBondContact O-CB 3.23Å; L1807-S1811 PolarHBondContact O-N 3.33Å; L1807-S1811 PolarHBondContact O-OG 2.92Å; S1808-S1811 CarbonylContact O-C 3.52Å; S1808-S1811 WeakPolarHBondContact O-CA 3.46Å; S1808-S1811 VanDerWaalsContact O-CB 3.24Å; S1808-S1811 WeakPolarHBondContact O-CB 3.18Å; S1808-S1811 PolarHBondContact O-N 2.9Å; D1809-S1811 VanDerWaalsContact C-N 3.32Å; D1809-S1811 PolarHBondContact O-N 3.44Å; S1811-R1815 WeakPolarHBondContact O-CA 2.96Å; S1811-R1815 PolarHBondContact O-N 2.84Å; S1811-V1821 PolarHBondContact OG-N 2.83Å
1812T79.2Confident80Confident86 Ų8642.2 Ų42.253%0.52823%0.229SC..Hα-helixtrans-71.5-33.2178.668.60000113.6S1808 D1809 L1810 R1815S1808-T1812 PolarHBondContact O-N 3.07Å; D1809-T1812 PolarHBondContact O-N 2.91Å; D1809-T1812 PolarHBondContact O-OG1 2.89Å; L1810-T1812 PolarHBondContact O-N 3.33Å; T1812-R1815 WeakPolarHBondContact O-CG 3.38Å; T1812-R1815 PolarHBondContact O-NE 2.88Å
1813V78.1Confident80.7Confident53 Ų5346 Ų4632%0.32125%0.245SC..Hα-helixtrans-86.2-45.2-178.3-179.80000112R1789 I1791 D1809 L1810R1789-V1813 PolarHBondContact NH1-O 3.04Å; R1789-V1813 PolarHBondContact NH2-O 3.42Å; I1791-V1813 HydrophobicContact CD1-CG1 4.16Å; I1791-V1813 HydrophobicContact CG1-CG1 4.22Å; I1791-V1813 HydrophobicContact CG2-CG1 3.58Å; D1809-V1813 WeakPolarHBondContact O-CG2 3.15Å; D1809-V1813 PolarHBondContact O-N 3.11Å; L1810-V1813 PolarHBondContact O-N 3.43Å
1814V80.9Confident81Confident0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-70.7-48.8178.4-176.50000110.9V1780 R1782 R1789 I1791 L1810 L1816 V1821 A1847V1780-V1814 HydrophobicContact CG1-CG2 4.1Å; R1782-V1814 HydrophobicContact CB-CG1 3.67Å; R1782-V1814 WeakPolarHBondContact CD-O 3Å; R1782-V1814 HydrophobicContact CG-CG1 3.65Å; R1782-V1814 PolarHBondContact NH1-O 3.37Å; R1789-V1814 PolarHBondContact NH1-O 2.97Å; I1791-V1814 HydrophobicContact CD1-CB 3.97Å; I1791-V1814 HydrophobicContact CD1-CG1 4.33Å; I1791-V1814 HydrophobicContact CD1-CG2 3.66Å; L1810-V1814 HydrophobicContact CB-CG2 4.11Å; L1810-V1814 HydrophobicContact CD2-CG2 4.2Å; L1810-V1814 WeakPolarHBondContact O-CA 3.22Å; L1810-V1814 WeakPolarHBondContact O-CB 3.2Å; L1810-V1814 WeakPolarHBondContact O-CG2 2.84Å; L1810-V1814 PolarHBondContact O-N 2.7Å; V1814-L1816 HydrophobicContact CG1-CD2 4.44Å; V1814-L1816 HydrophobicContact CG1-CG 3.94Å; V1814-V1821 HydrophobicContact CB-CG2 3.97Å; V1814-V1821 HydrophobicContact CG1-CG2 4.27Å; V1814-V1821 HydrophobicContact CG2-CG2 4.21Å; V1814-A1847 HydrophobicContact CG1-CB 4.32Å; V1814-A1847 HydrophobicContact CG2-CB 4.44Å
1815R76.5Confident81.4Confident172 Ų17241.3 Ų41.365%0.64922%0.223SC*.  trans55.460.6-176.6-52.1-178.4-177.3-176.3-2.9112.1R1782 S1811 T1812R1782-R1815 PolarHBondContact NE-O 3.33Å; R1782-R1815 PolarHBondContact NH1-O 3.07Å; R1782-R1815 PolarHBondContact NH2-O 2.81Å; R1782-R1815 VanDerWaalsContact NH2-O 3.09Å; S1811-R1815 WeakPolarHBondContact O-CA 2.96Å; S1811-R1815 PolarHBondContact O-N 2.84Å; T1812-R1815 WeakPolarHBondContact O-CG 3.38Å; T1812-R1815 PolarHBondContact O-NE 2.88Å
1816L73.7Confident81.6Confident11 Ų1139.4 Ų39.46%0.05822%0.215CC..BIsolated β-bridgetrans-58.6154.5-179.2-87167000112.2R1782 N1783 V1814 S1818 G1819 V1821 A1847R1782-L1816 HydrophobicContact CG-CD2 3.69Å; R1782-L1816 HydrophobicContact CG-CG 4.42Å; N1783-L1816 HydrophobicContact CB-CD2 4.08Å; V1814-L1816 HydrophobicContact CG1-CD2 4.44Å; V1814-L1816 HydrophobicContact CG1-CG 3.94Å; L1816-S1818 VanDerWaalsContact C-N 3.32Å; L1816-G1819 WeakPolarHBondContact CB-O 3.19Å; L1816-G1819 PolarHBondContact N-O 3.25Å; L1816-G1819 WeakPolarHBondContact O-CA 3.43Å; L1816-G1819 PolarHBondContact O-N 3.16Å; L1816-V1821 HydrophobicContact CD1-CB 4.21Å; L1816-V1821 HydrophobicContact CD1-CG2 3.68Å; L1816-V1821 HydrophobicContact CG-CG2 4.25Å; L1816-A1847 HydrophobicContact CD1-CB 4.47Å
1817D69.2Low81.1Confident33 Ų3341.5 Ų41.518%0.17622%0.224CC..THydrogen-bonded Turntrans-73.9-31.8-175.1-57.7-68.3000110.8P783 D784 K785 R1782 G1819P783-D1817 HydrophobicContact CB-CB 4.2Å; P783-D1817 HydrophobicContact CG-CB 3.93Å; P783-D1817 WeakPolarHBondContact CG-O 3.47Å; D784-D1817 WeakPolarHBondContact CA-OD1 3.25Å; D784-D1817 PolarHBondContact N-OD1 3Å; K785-D1817 PolarHBondContact N-OD1 2.85Å; R1782-D1817 IonicContact CZ-OD1 3.86Å; R1782-D1817 IonicContact CZ-OD2 3.31Å; R1782-D1817 VanDerWaalsContact CZ-OD2 3.27Å; R1782-D1817 IonicContact NE-OD2 2.89Å; R1782-D1817 PolarHBondContact NE-OD2 2.84Å; R1782-D1817 IonicContact NH2-OD1 2.64Å; R1782-D1817 PolarHBondContact NH2-OD1 3.22Å; R1782-D1817 IonicContact NH2-OD2 2.77Å; R1782-D1817 PolarHBondContact NH2-OD2 2.88Å; D1817-G1819 PolarHBondContact O-N 3.27Å
1818S70.3Confident80.4Confident41 Ų4144.6 Ų44.629%0.28725%0.252SS..THydrogen-bonded Turntrans-81.811.6166.556.60000114.6L1816 G1849 E1851L1816-S1818 VanDerWaalsContact C-N 3.32Å; S1818-G1849 WeakPolarHBondContact OG-CA 3.41Å; S1818-E1851 WeakPolarHBondContact CB-OE2 3.15Å; S1818-E1851 PolarHBondContact OG-OE2 3.43Å
1819G75.6Confident80Confident40 Ų4044.8 Ų44.841%0.41226%0.258SS..BIsolated β-bridgetrans97.8-119.617600000114.2L1816 D1817L1816-G1819 WeakPolarHBondContact CB-O 3.19Å; L1816-G1819 PolarHBondContact N-O 3.25Å; L1816-G1819 WeakPolarHBondContact O-CA 3.43Å; L1816-G1819 PolarHBondContact O-N 3.16Å; D1817-G1819 PolarHBondContact O-N 3.27Å
1820A77.5Confident79.9Confident49 Ų4947.4 Ų47.441%0.40527%0.267SS..SBendtrans-76.1149.3179.500000112.1K1822 G1849A1820-K1822 PolarHBondContact O-N 3.05Å; A1820-G1849 VanDerWaalsContact O-CA 3.27Å; A1820-G1849 WeakPolarHBondContact O-CA 3.2Å
1821V87.3Confident79.8Confident4 Ų450.5 Ų50.52%0.02428%0.282CS..  trans-70.3105.7167.4-176.70000107.8L1807 L1810 S1811 V1814 L1816 L1824 A1847L1807-V1821 HydrophobicContact CD2-CG1 3.88Å; L1810-V1821 HydrophobicContact CB-CG2 4.33Å; S1811-V1821 PolarHBondContact OG-N 2.83Å; V1814-V1821 HydrophobicContact CB-CG2 3.97Å; V1814-V1821 HydrophobicContact CG1-CG2 4.27Å; V1814-V1821 HydrophobicContact CG2-CG2 4.21Å; L1816-V1821 HydrophobicContact CD1-CB 4.21Å; L1816-V1821 HydrophobicContact CD1-CG2 3.68Å; L1816-V1821 HydrophobicContact CG-CG2 4.25Å; V1821-L1824 HydrophobicContact CG1-CD2 4.36Å; V1821-L1824 HydrophobicContact CG1-CG 4.33Å; V1821-A1847 HydrophobicContact CG1-CB 3.7Å; V1821-A1847 HydrophobicContact CG2-CB 4Å
1822K83Confident79.7Confident127 Ų12749.5 Ų49.555%0.55227%0.274SS*.  trans-96.3-20.4178.6-62.8177178171.70112.2A1820 C1848 G1849 S1850A1820-K1822 PolarHBondContact O-N 3.05Å; K1822-C1848 PolarHBondContact N-O 2.73Å; K1822-G1849 WeakPolarHBondContact CB-O 3.42Å; K1822-S1850 PolarHBondContact NZ-OG 2.91Å
1823K87.9Confident79.8Confident84 Ų8449.6 Ų49.637%0.36528%0.278SS..EExtended strand (participates in β ladder)trans-142.3140.5-178.3-61.4-173.8174.4-153.50110.5F1825 Q1831 C1848K1823-F1825 HydrophobicContact CB-CD2 4.24Å; K1823-F1825 HydrophobicContact CB-CE2 3.64Å; K1823-F1825 HydrophobicContact CB-CZ 4.17Å; K1823-F1825 HydrophobicContact CD-CE2 3.85Å; K1823-F1825 HydrophobicContact CD-CZ 3.62Å; K1823-F1825 HydrophobicContact CG-CE2 4.41Å; K1823-Q1831 VanDerWaalsContact NZ-OE1 3.1Å; K1823-C1848 PolarHBondContact N-O 2.73Å; K1823-C1848 PolarHBondContact O-N 3.11Å; K1823-C1848 VanDerWaalsContact O-O 3.09Å
1824L89.5Confident79.7Confident0 Ų049.8 Ų49.80%028%0.281CS..EExtended strand (participates in β ladder)trans-110.5138.3161.2-72.3159.7000107.5V1780 F1803 L1807 L1810 V1821 Q1831 V1832 L1838 F1845 L1846 A1847V1780-L1824 HydrophobicContact CG1-CD2 3.89Å; V1780-L1824 HydrophobicContact CG2-CD2 4.45Å; F1803-L1824 HydrophobicContact CE2-CD1 4.16Å; L1807-L1824 HydrophobicContact CD2-CD1 3.74Å; L1807-L1824 HydrophobicContact CD2-CG 3.87Å; L1810-L1824 HydrophobicContact CD1-CD1 3.71Å; L1810-L1824 HydrophobicContact CD1-CD2 4.1Å; L1810-L1824 HydrophobicContact CD1-CG 4.45Å; V1821-L1824 HydrophobicContact CG1-CD2 4.36Å; V1821-L1824 HydrophobicContact CG1-CG 4.33Å; L1824-Q1831 WeakPolarHBondContact O-CG 3.45Å; L1824-V1832 HydrophobicContact CB-CB 3.88Å; L1824-V1832 HydrophobicContact CB-CG2 3.75Å; L1824-V1832 PolarHBondContact O-N 3.06Å; L1824-L1838 HydrophobicContact CD1-CD1 4.48Å; L1824-L1838 HydrophobicContact CD1-CD2 4.19Å; L1824-F1845 HydrophobicContact CB-CB 4.48Å; L1824-F1845 HydrophobicContact CD2-CB 3.98Å; L1824-L1846 CarbonylContact C-O 3.58Å; L1824-L1846 WeakPolarHBondContact CA-O 3.27Å; L1824-A1847 HydrophobicContact CD2-CB 3.85Å
1825F87.4Confident79.6Confident25 Ų2551 Ų5111%0.1129%0.287CS..EExtended strand (participates in β ladder)trans-121.6136.7171.8-63.5-90.2000108.7K1823 K1830 Q1831 F1845 L1846 C1848 M1853K1823-F1825 HydrophobicContact CB-CD2 4.24Å; K1823-F1825 HydrophobicContact CB-CE2 3.64Å; K1823-F1825 HydrophobicContact CB-CZ 4.17Å; K1823-F1825 HydrophobicContact CD-CE2 3.85Å; K1823-F1825 HydrophobicContact CD-CZ 3.62Å; K1823-F1825 HydrophobicContact CG-CE2 4.41Å; F1825-K1830 WeakPolarHBondContact CA-O 3.21Å; F1825-Q1831 HydrophobicContact CD1-CB 3.73Å; F1825-Q1831 HydrophobicContact CD1-CG 3.85Å; F1825-Q1831 HydrophobicContact CE1-CB 3.69Å; F1825-Q1831 HydrophobicContact CE1-CG 3.64Å; F1825-Q1831 HydrophobicContact CG-CG 4.47Å; F1825-Q1831 HydrophobicContact CZ-CG 4.1Å; F1825-F1845 CarbonylContact O-C 3.58Å; F1825-F1845 WeakPolarHBondContact O-CA 3.48Å; F1825-L1846 PolarHBondContact N-O 3.31Å; F1825-L1846 PolarHBondContact O-N 2.94Å; F1825-C1848 HydrophobicContact CD2-CB 4.3Å; F1825-C1848 HydrophobicContact CE2-CB 4.01Å; F1825-M1853 HydrophobicContact CB-CE 4.03Å; F1825-M1853 HydrophobicContact CB-SD 3.74Å; F1825-M1853 HydrophobicContact CD1-CE 3.56Å; F1825-M1853 HydrophobicContact CD1-SD 4.21Å; F1825-M1853 HydrophobicContact CD2-CE 4.08Å; F1825-M1853 HydrophobicContact CD2-SD 3.68Å; F1825-M1853 HydrophobicContact CE1-CE 3.93Å; F1825-M1853 HydrophobicContact CE2-CB 4.44Å; F1825-M1853 HydrophobicContact CE2-CE 4.4Å; F1825-M1853 HydrophobicContact CE2-SD 4.28Å; F1825-M1853 HydrophobicContact CG-CE 3.64Å; F1825-M1853 HydrophobicContact CG-SD 3.63Å; F1825-M1853 HydrophobicContact CZ-CE 4.32Å
1826T85.2Confident79.4Confident3 Ų345.5 Ų45.52%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-59.5160.7163.360.20000110A1828 G1829 K1830 V1832 D1842 F1845T1826-A1828 PolarHBondContact O-N 2.85Å; T1826-G1829 PolarHBondContact O-N 3.48Å; T1826-G1829 PolarHBondContact OG1-N 2.96Å; T1826-K1830 HydrophobicContact CG2-CB 4.36Å; T1826-K1830 PolarHBondContact N-O 3.25Å; T1826-K1830 WeakPolarHBondContact OG1-CA 3.11Å; T1826-K1830 WeakPolarHBondContact OG1-CB 3.33Å; T1826-K1830 PolarHBondContact OG1-N 3.24Å; T1826-K1830 PolarHBondContact OG1-O 2.9Å; T1826-V1832 HydrophobicContact CG2-CG2 4.47Å; T1826-D1842 HydrophobicContact CG2-CB 3.9Å; T1826-D1842 VanDerWaalsContact CG2-CG 3.41Å; T1826-D1842 VanDerWaalsContact CG2-OD2 3.24Å; T1826-D1842 WeakPolarHBondContact CG2-OD2 3.23Å; T1826-F1845 HydrophobicContact CG2-CD1 4.19Å; T1826-F1845 HydrophobicContact CG2-CE1 3.95Å
1827F74.8Confident79.6Confident44 Ų4445.9 Ų45.919%0.19328%0.281CS..THydrogen-bonded Turntrans-68.5-12.5172-110.7-105.5000114.1L1781 G1829 L1844 L1846 D1857 L1858 L1860L1781-F1827 HydrophobicContact CD1-CD2 4.23Å; L1781-F1827 HydrophobicContact CD1-CE2 3.32Å; L1781-F1827 HydrophobicContact CD1-CZ 3.71Å; F1827-G1829 PolarHBondContact O-N 3.03Å; F1827-L1844 HydrophobicContact CB-CD2 4.16Å; F1827-L1844 HydrophobicContact CD1-CD2 4.35Å; F1827-L1844 HydrophobicContact CD2-CD2 3.56Å; F1827-L1844 HydrophobicContact CD2-CG 3.71Å; F1827-L1844 HydrophobicContact CE2-CD2 4.09Å; F1827-L1844 HydrophobicContact CE2-CG 4.31Å; F1827-L1844 HydrophobicContact CG-CD2 3.71Å; F1827-L1844 HydrophobicContact CG-CG 4.26Å; F1827-L1844 PolarHBondContact N-O 3.37Å; F1827-L1846 HydrophobicContact CE2-CB 4.22Å; F1827-L1846 HydrophobicContact CE2-CD1 4.44Å; F1827-D1857 WeakPolarHBondContact CZ-O 3.35Å; F1827-L1858 WeakPolarHBondContact CD1-O 3.34Å; F1827-L1858 VanDerWaalsContact CE1-C 3.5Å; F1827-L1858 WeakPolarHBondContact CE1-O 3.3Å; F1827-L1860 HydrophobicContact CD1-CD1 4.46Å; F1827-L1860 HydrophobicContact CD1-CG 4.48Å; F1827-L1860 HydrophobicContact CE1-CD1 4.03Å; F1827-L1860 HydrophobicContact CE1-CD2 4.32Å; F1827-L1860 HydrophobicContact CE1-CG 3.62Å; F1827-L1860 HydrophobicContact CZ-CD1 4.35Å; F1827-L1860 HydrophobicContact CZ-CD2 4.01Å; F1827-L1860 HydrophobicContact CZ-CG 3.83Å
1828A73.8Confident80.2Confident85 Ų8544.3 Ų44.370%0.70227%0.272SS*.THydrogen-bonded Turntrans-78.64.1165.400000113.8T1826 K1830T1826-A1828 PolarHBondContact O-N 2.85Å; A1828-K1830 PolarHBondContact O-N 2.93Å
1829G73.4Confident80.5Confident25 Ų2543.3 Ų43.326%0.25826%0.263SS..SBendtrans76.9-6.9-179.800000115.2T1826 F1827 Q1831T1826-G1829 PolarHBondContact O-N 3.48Å; T1826-G1829 PolarHBondContact OG1-N 2.96Å; F1827-G1829 PolarHBondContact O-N 3.03Å; G1829-Q1831 PolarHBondContact O-N 3.26Å
1830K79.4Confident80.5Confident91 Ų9144.9 Ų44.940%0.39626%0.26SS..PPolyproline II helixtrans-63.1122.2171.6173.9-166.5168.7-166.20109F1825 T1826 A1828 D1837F1825-K1830 WeakPolarHBondContact CA-O 3.21Å; T1826-K1830 HydrophobicContact CG2-CB 4.36Å; T1826-K1830 PolarHBondContact N-O 3.25Å; T1826-K1830 WeakPolarHBondContact OG1-CA 3.11Å; T1826-K1830 WeakPolarHBondContact OG1-CB 3.33Å; T1826-K1830 PolarHBondContact OG1-N 3.24Å; T1826-K1830 PolarHBondContact OG1-O 2.9Å; A1828-K1830 PolarHBondContact O-N 2.93Å; K1830-D1837 IonicContact NZ-OD1 3.7Å; K1830-D1837 PolarHBondContact NZ-OD1 3.36Å
1831Q85.2Confident80.1Confident65 Ų6549.6 Ų49.630%0.30428%0.278SS..EExtended strand (participates in β ladder)trans-67.2134.8172-156.9-168.4-71.800109.9K1823 L1824 F1825 G1829K1823-Q1831 VanDerWaalsContact NZ-OE1 3.1Å; L1824-Q1831 WeakPolarHBondContact O-CG 3.45Å; F1825-Q1831 HydrophobicContact CD1-CB 3.73Å; F1825-Q1831 HydrophobicContact CD1-CG 3.85Å; F1825-Q1831 HydrophobicContact CE1-CB 3.69Å; F1825-Q1831 HydrophobicContact CE1-CG 3.64Å; F1825-Q1831 HydrophobicContact CG-CG 4.47Å; F1825-Q1831 HydrophobicContact CZ-CG 4.1Å; G1829-Q1831 PolarHBondContact O-N 3.26Å
1832V86.2Confident79.6Confident1 Ų151.8 Ų51.81%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-73.9124.6168.2-173.50000107.4F1803 L1824 T1826 D1837 L1838 F1845F1803-V1832 HydrophobicContact CD2-CG1 4.42Å; F1803-V1832 HydrophobicContact CE2-CB 4.23Å; F1803-V1832 HydrophobicContact CE2-CG1 3.41Å; F1803-V1832 VanDerWaalsContact CE2-CG1 3.41Å; F1803-V1832 HydrophobicContact CZ-CB 3.93Å; F1803-V1832 HydrophobicContact CZ-CG1 3.57Å; F1803-V1832 WeakPolarHBondContact CZ-O 3.42Å; L1824-V1832 HydrophobicContact CB-CB 3.88Å; L1824-V1832 HydrophobicContact CB-CG2 3.75Å; L1824-V1832 PolarHBondContact O-N 3.06Å; T1826-V1832 HydrophobicContact CG2-CG2 4.47Å; V1832-D1837 HydrophobicContact CB-CB 4.32Å; V1832-D1837 HydrophobicContact CG1-CB 3.54Å; V1832-L1838 HydrophobicContact CB-CD2 4.47Å; V1832-L1838 HydrophobicContact CG1-CD2 3.58Å; V1832-L1838 HydrophobicContact CG1-CG 3.74Å; V1832-L1838 HydrophobicContact CG2-CD2 4.15Å; V1832-F1845 HydrophobicContact CG2-CD1 3.4Å; V1832-F1845 VanDerWaalsContact CG2-CD1 3.4Å; V1832-F1845 HydrophobicContact CG2-CE1 3.6Å; V1832-F1845 HydrophobicContact CG2-CG 4.49Å
1833C80.4Confident79Confident89 Ų8947.5 Ų47.560%0.60127%0.273SS*.  trans-113.9-22.3-174-70.40000113.1D1837C1833-D1837 PolarHBondContact N-OD2 3.01Å
1834C76.8Confident78.8Confident56 Ų5644.3 Ų44.338%0.37826%0.26SS..SBendtrans-144.617117970.60000112.2A1836 D1837C1834-A1836 PolarHBondContact O-N 2.93Å; C1834-D1837 PolarHBondContact N-OD2 3.4Å; C1834-D1837 WeakPolarHBondContact O-CB 3.27Å; C1834-D1837 PolarHBondContact O-N 3.08Å; C1834-D1837 VanDerWaalsContact O-N 3.11Å; C1834-D1837 PolarHBondContact SG-OD2 3.44Å
1835L78.7Confident78.8Confident25 Ų2544.3 Ų44.313%0.13126%0.26CS..G310 helixtrans-60.1-35.3178.9-171.668.6000111.8P1730 A1800 F1803 V1806 D1837 L1838 F1839P1730-L1835 HydrophobicContact CB-CD2 3.82Å; A1800-L1835 HydrophobicContact CB-CD1 4.21Å; A1800-L1835 WeakPolarHBondContact O-CD2 3.34Å; F1803-L1835 HydrophobicContact CB-CB 4.31Å; V1806-L1835 HydrophobicContact CG2-CD1 3.89Å; L1835-D1837 VanDerWaalsContact C-N 3.29Å; L1835-D1837 PolarHBondContact O-N 3.4Å; L1835-L1838 HydrophobicContact CD1-CD1 4.48Å; L1835-L1838 WeakPolarHBondContact O-CB 3.43Å; L1835-L1838 PolarHBondContact O-N 2.77Å; L1835-L1838 VanDerWaalsContact O-N 3.11Å; L1835-F1839 HydrophobicContact CD1-CE2 4.39Å; L1835-F1839 HydrophobicContact CG-CE2 4.16Å; L1835-F1839 VanDerWaalsContact O-CD2 3.26Å; L1835-F1839 WeakPolarHBondContact O-CD2 3.47Å
1836A71.8Confident78.8Confident58 Ų5843.1 Ų43.148%0.47925%0.254SS..G310 helixtrans-69.2-21.1178.600000113.8C1834 L1838 F1839C1834-A1836 PolarHBondContact O-N 2.93Å; A1836-L1838 VanDerWaalsContact C-N 3.25Å; A1836-L1838 PolarHBondContact O-N 3.44Å; A1836-F1839 PolarHBondContact O-N 2.87Å
1837D79Confident79Confident18 Ų1843 Ų4310%0.09625%0.254CS..G310 helixtrans-67.9-27.1170.9-69.3-59.9000111.8K1830 V1832 C1833 C1834 L1835 F1839 Q1840K1830-D1837 IonicContact NZ-OD1 3.7Å; K1830-D1837 PolarHBondContact NZ-OD1 3.36Å; V1832-D1837 HydrophobicContact CB-CB 4.32Å; V1832-D1837 HydrophobicContact CG1-CB 3.54Å; C1833-D1837 PolarHBondContact N-OD2 3.01Å; C1834-D1837 PolarHBondContact N-OD2 3.4Å; C1834-D1837 WeakPolarHBondContact O-CB 3.27Å; C1834-D1837 PolarHBondContact O-N 3.08Å; C1834-D1837 VanDerWaalsContact O-N 3.11Å; C1834-D1837 PolarHBondContact SG-OD2 3.44Å; L1835-D1837 VanDerWaalsContact C-N 3.29Å; L1835-D1837 PolarHBondContact O-N 3.4Å; D1837-F1839 PolarHBondContact O-N 2.87Å; D1837-Q1840 PolarHBondContact O-N 2.88Å; D1837-Q1840 PolarHBondContact OD1-NE2 2.87Å
1838L81.7Confident79.4Confident0 Ų040.9 Ų40.90%024%0.244CC..G310 helixtrans-77.30.4173.5-60.8177.3000113.8R1776 I1778 L1795 F1803 V1806 L1824 V1832 L1835 A1836 F1845R1776-L1838 PolarHBondContact NH1-O 3.11Å; I1778-L1838 HydrophobicContact CD1-CD1 4.3Å; I1778-L1838 HydrophobicContact CD1-CD2 4.14Å; L1795-L1838 HydrophobicContact CD1-CB 3.6Å; L1795-L1838 HydrophobicContact CD1-CD1 3.87Å; L1795-L1838 HydrophobicContact CD1-CG 4.33Å; F1803-L1838 HydrophobicContact CD2-CD1 4.06Å; F1803-L1838 HydrophobicContact CE2-CD1 4Å; F1803-L1838 HydrophobicContact CE2-CG 4.28Å; V1806-L1838 HydrophobicContact CB-CD1 4.44Å; V1806-L1838 HydrophobicContact CG1-CD1 3.7Å; L1824-L1838 HydrophobicContact CD1-CD1 4.48Å; L1824-L1838 HydrophobicContact CD1-CD2 4.19Å; V1832-L1838 HydrophobicContact CB-CD2 4.47Å; V1832-L1838 HydrophobicContact CG1-CD2 3.58Å; V1832-L1838 HydrophobicContact CG1-CG 3.74Å; V1832-L1838 HydrophobicContact CG2-CD2 4.15Å; L1835-L1838 HydrophobicContact CD1-CD1 4.48Å; L1835-L1838 WeakPolarHBondContact O-CB 3.43Å; L1835-L1838 PolarHBondContact O-N 2.77Å; L1835-L1838 VanDerWaalsContact O-N 3.11Å; A1836-L1838 VanDerWaalsContact C-N 3.25Å; A1836-L1838 PolarHBondContact O-N 3.44Å; L1838-F1845 HydrophobicContact CD2-CD1 4.02Å; L1838-F1845 HydrophobicContact CD2-CD2 4.12Å; L1838-F1845 HydrophobicContact CD2-CE1 3.76Å; L1838-F1845 HydrophobicContact CD2-CE2 3.89Å; L1838-F1845 HydrophobicContact CD2-CG 4.18Å; L1838-F1845 HydrophobicContact CD2-CZ 3.69Å
1839F75.6Confident79.9Confident21 Ų2137.1 Ų37.19%0.09221%0.213CC..G310 helixtrans-116.77.4175.1-67.6-77.2000113.4W1732 Y1734 V1773 R1776 L1795 L1835 A1836 D1837W1732-F1839 HydrophobicContact CE3-CE1 4.36Å; W1732-F1839 HydrophobicContact CE3-CE2 4.26Å; W1732-F1839 AromaticContact CE3-CZ 3.98Å; W1732-F1839 HydrophobicContact CE3-CZ 3.98Å; W1732-F1839 HydrophobicContact CH2-CE1 4.37Å; W1732-F1839 HydrophobicContact CH2-CE2 4.09Å; W1732-F1839 AromaticContact CH2-CZ 3.54Å; W1732-F1839 HydrophobicContact CH2-CZ 3.54Å; W1732-F1839 AromaticContact CZ3-CE1 3.6Å; W1732-F1839 HydrophobicContact CZ3-CE1 3.6Å; W1732-F1839 AromaticContact CZ3-CE2 3.73Å; W1732-F1839 HydrophobicContact CZ3-CE2 3.73Å; W1732-F1839 AromaticContact CZ3-CZ 3.1Å; W1732-F1839 HydrophobicContact CZ3-CZ 3.1Å; Y1734-F1839 HydrophobicContact CE2-CB 4.29Å; Y1734-F1839 WeakPolarHBondContact CE2-O 3.14Å; Y1734-F1839 PolarHBondContact OH-O 3.39Å; V1773-F1839 HydrophobicContact CG1-CD1 4.01Å; V1773-F1839 HydrophobicContact CG1-CE1 4Å; R1776-F1839 HydrophobicContact CB-CD1 4.18Å; R1776-F1839 HydrophobicContact CB-CE1 3.71Å; L1795-F1839 HydrophobicContact CB-CE1 4.24Å; L1795-F1839 HydrophobicContact CB-CE2 4.48Å; L1795-F1839 HydrophobicContact CB-CZ 3.6Å; L1795-F1839 HydrophobicContact CD1-CE1 4.49Å; L1795-F1839 HydrophobicContact CD1-CE2 4.13Å; L1795-F1839 HydrophobicContact CD1-CZ 3.84Å; L1795-F1839 HydrophobicContact CG-CZ 4.41Å; L1835-F1839 HydrophobicContact CD1-CE2 4.39Å; L1835-F1839 HydrophobicContact CG-CE2 4.16Å; L1835-F1839 VanDerWaalsContact O-CD2 3.26Å; L1835-F1839 WeakPolarHBondContact O-CD2 3.47Å; A1836-F1839 PolarHBondContact O-N 2.87Å; D1837-F1839 PolarHBondContact O-N 2.87Å
1840Q75.7Confident79.9Confident73 Ų7339.5 Ų39.534%0.34123%0.226SC..SBendtrans-83.7171.6168.9-68.9164.730.900111.2R1776 D1837 D1842R1776-Q1840 VanDerWaalsContact CZ-O 3.28Å; R1776-Q1840 PolarHBondContact NH1-O 2.88Å; R1776-Q1840 PolarHBondContact NH2-O 3.41Å; D1837-Q1840 PolarHBondContact O-N 2.88Å; D1837-Q1840 PolarHBondContact OD1-NE2 2.87Å; Q1840-D1842 PolarHBondContact O-N 3.22Å
1841D70.2Confident79.3Confident147 Ų14738.2 Ų38.279%0.78622%0.222SC*.SBendtrans-56.2-18.9-167.3-47.1-45.1000115.8D1843D1841-D1843 PolarHBondContact O-N 3.5Å
1842D75.3Confident78.2Confident51 Ų5146.5 Ų46.527%0.27325%0.25SS..  trans-64.7114.4172.1-69.4-78000112.6R1776 T1826 Q1840 F1845R1776-D1842 PolarHBondContact NH1-O 3.23Å; R1776-D1842 VanDerWaalsContact NH2-C 3.34Å; R1776-D1842 PolarHBondContact NH2-O 3.23Å; T1826-D1842 HydrophobicContact CG2-CB 3.9Å; T1826-D1842 VanDerWaalsContact CG2-CG 3.41Å; T1826-D1842 VanDerWaalsContact CG2-OD2 3.24Å; T1826-D1842 WeakPolarHBondContact CG2-OD2 3.23Å; Q1840-D1842 PolarHBondContact O-N 3.22Å; D1842-F1845 HydrophobicContact CB-CE1 4.01Å; D1842-F1845 HydrophobicContact CB-CZ 3.98Å; D1842-F1845 WeakPolarHBondContact O-CE2 3.37Å; D1842-F1845 WeakPolarHBondContact O-CZ 3.22Å
1843D71.4Confident77.1Confident37 Ų3748.6 Ų48.620%0.19826%0.26CS..  trans-83.7-14168.8-84.2-17.3000113.3R1776 T1779 D1841 P1870 L1873R1776-D1843 IonicContact CZ-OD1 3.21Å; R1776-D1843 IonicContact NE-OD1 2.76Å; R1776-D1843 PolarHBondContact NE-OD1 3.03Å; R1776-D1843 IonicContact NH2-OD1 3.14Å; R1776-D1843 PolarHBondContact NH2-OD1 3.06Å; T1779-D1843 PolarHBondContact N-O 3.16Å; D1841-D1843 PolarHBondContact O-N 3.5Å; D1843-P1870 HydrophobicContact CB-CG 4.25Å; D1843-L1873 HydrophobicContact CB-CD1 4.38Å
1844L82.8Confident76.2Confident17 Ų1746.7 Ų46.79%0.08925%0.248CC..EExtended strand (participates in β ladder)trans-125.5124.2-164-176.862.5000113.5T1779 L1781 F1827 L1860 V1868 M1869T1779-L1844 HydrophobicContact CG2-CD1 3.72Å; T1779-L1844 WeakPolarHBondContact O-CA 3.32Å; L1781-L1844 HydrophobicContact CD1-CD1 3.69Å; L1781-L1844 HydrophobicContact CD1-CD2 4.2Å; L1781-L1844 HydrophobicContact CD1-CG 4.2Å; L1781-L1844 HydrophobicContact CG-CD1 4.31Å; F1827-L1844 HydrophobicContact CB-CD2 4.16Å; F1827-L1844 HydrophobicContact CD1-CD2 4.35Å; F1827-L1844 HydrophobicContact CD2-CD2 3.56Å; F1827-L1844 HydrophobicContact CD2-CG 3.71Å; F1827-L1844 HydrophobicContact CE2-CD2 4.09Å; F1827-L1844 HydrophobicContact CE2-CG 4.31Å; F1827-L1844 HydrophobicContact CG-CD2 3.71Å; F1827-L1844 HydrophobicContact CG-CG 4.26Å; F1827-L1844 PolarHBondContact N-O 3.37Å; L1844-L1860 HydrophobicContact CD2-CD1 4.11Å; L1844-V1868 HydrophobicContact CD1-CG1 3.45Å; L1844-V1868 VanDerWaalsContact CD1-CG1 3.45Å; L1844-V1868 HydrophobicContact CD2-CG1 3.42Å; L1844-V1868 VanDerWaalsContact CD2-CG1 3.42Å; L1844-V1868 HydrophobicContact CG-CG1 4.05Å; L1844-M1869 HydrophobicContact CD2-CE 4.49Å
1845F89.8Confident75.6Confident0 Ų049.9 Ų49.90%026%0.26CS..EExtended strand (participates in β ladder)trans-129.2134.7-177.4-52-83.5000112.2I1778 T1779 V1780 L1781 L1824 F1825 T1826 V1832 L1838 D1842I1778-F1845 HydrophobicContact CB-CD2 3.98Å; I1778-F1845 HydrophobicContact CB-CE2 3.84Å; I1778-F1845 HydrophobicContact CD1-CD2 4.28Å; I1778-F1845 HydrophobicContact CG2-CD2 4.32Å; I1778-F1845 HydrophobicContact CG2-CE2 3.69Å; T1779-F1845 PolarHBondContact O-N 3.42Å; V1780-F1845 CarbonylContact C-O 3.58Å; V1780-F1845 VanDerWaalsContact CA-O 3.26Å; V1780-F1845 WeakPolarHBondContact CA-O 3.44Å; L1781-F1845 PolarHBondContact N-O 2.9Å; L1824-F1845 HydrophobicContact CB-CB 4.48Å; L1824-F1845 HydrophobicContact CD2-CB 3.98Å; F1825-F1845 CarbonylContact O-C 3.58Å; F1825-F1845 WeakPolarHBondContact O-CA 3.48Å; T1826-F1845 HydrophobicContact CG2-CD1 4.19Å; T1826-F1845 HydrophobicContact CG2-CE1 3.95Å; V1832-F1845 HydrophobicContact CG2-CD1 3.4Å; V1832-F1845 VanDerWaalsContact CG2-CD1 3.4Å; V1832-F1845 HydrophobicContact CG2-CE1 3.6Å; V1832-F1845 HydrophobicContact CG2-CG 4.49Å; L1838-F1845 HydrophobicContact CD2-CD1 4.02Å; L1838-F1845 HydrophobicContact CD2-CD2 4.12Å; L1838-F1845 HydrophobicContact CD2-CE1 3.76Å; L1838-F1845 HydrophobicContact CD2-CE2 3.89Å; L1838-F1845 HydrophobicContact CD2-CG 4.18Å; L1838-F1845 HydrophobicContact CD2-CZ 3.69Å; D1842-F1845 HydrophobicContact CB-CE1 4.01Å; D1842-F1845 HydrophobicContact CB-CZ 3.98Å; D1842-F1845 WeakPolarHBondContact O-CE2 3.37Å; D1842-F1845 WeakPolarHBondContact O-CZ 3.22Å
1846L87.4Confident75Confident0 Ų053.3 Ų53.30%028%0.279CS..EExtended strand (participates in β ladder)trans-85.6123165-169.378000109.2L1781 N1783 L1824 F1825 F1827 M1853 D1857L1781-L1846 HydrophobicContact CB-CD1 3.83Å; N1783-L1846 HydrophobicContact CB-CD1 4.38Å; N1783-L1846 HydrophobicContact CB-CD2 4.44Å; N1783-L1846 HydrophobicContact CB-CG 4.31Å; L1824-L1846 CarbonylContact C-O 3.58Å; L1824-L1846 WeakPolarHBondContact CA-O 3.27Å; F1825-L1846 PolarHBondContact N-O 3.31Å; F1825-L1846 PolarHBondContact O-N 2.94Å; F1827-L1846 HydrophobicContact CE2-CB 4.22Å; F1827-L1846 HydrophobicContact CE2-CD1 4.44Å; L1846-M1853 HydrophobicContact CD2-CG 3.72Å; L1846-M1853 HydrophobicContact CD2-SD 3.6Å; L1846-M1853 VanDerWaalsContact CD2-SD 3.6Å; L1846-D1857 HydrophobicContact CD2-CB 3.71Å
1847A89.9Confident74.8Confident0 Ų051.6 Ų51.60%026%0.261CS..EExtended strand (participates in β ladder)trans-89.4116.9172.600000110.4V1780 L1781 N1783 V1814 L1816 V1821 L1824V1780-A1847 HydrophobicContact CG1-CB 3.51Å; L1781-A1847 PolarHBondContact O-N 2.82Å; N1783-A1847 WeakPolarHBondContact CB-O 3.25Å; N1783-A1847 PolarHBondContact N-O 3.13Å; N1783-A1847 VanDerWaalsContact N-O 3.09Å; V1814-A1847 HydrophobicContact CG1-CB 4.32Å; V1814-A1847 HydrophobicContact CG2-CB 4.44Å; L1816-A1847 HydrophobicContact CD1-CB 4.47Å; V1821-A1847 HydrophobicContact CG1-CB 3.7Å; V1821-A1847 HydrophobicContact CG2-CB 4Å; L1824-A1847 HydrophobicContact CD2-CB 3.85Å
1848C84Confident74.2Confident0 Ų053 Ų530%027%0.268CS..EExtended strand (participates in β ladder)trans-116.2153.1175.7-60.70000111.2N1783 K1822 K1823 F1825 E1851N1783-C1848 PolarHBondContact ND2-SG 2.89Å; K1822-C1848 PolarHBondContact N-O 2.73Å; K1823-C1848 PolarHBondContact N-O 2.73Å; K1823-C1848 PolarHBondContact O-N 3.11Å; K1823-C1848 VanDerWaalsContact O-O 3.09Å; F1825-C1848 HydrophobicContact CD2-CB 4.3Å; F1825-C1848 HydrophobicContact CE2-CB 4.01Å; C1848-E1851 WeakPolarHBondContact CA-OE1 3.31Å; C1848-E1851 WeakPolarHBondContact CB-OE1 3.31Å
1849G84.3Confident73.5Confident5 Ų560.5 Ų60.55%0.05230%0.298CS..  trans-106.6-109-179.100000111.7S1818 A1820 K1822 E1851S1818-G1849 WeakPolarHBondContact OG-CA 3.41Å; A1820-G1849 VanDerWaalsContact O-CA 3.27Å; A1820-G1849 WeakPolarHBondContact O-CA 3.2Å; K1822-G1849 WeakPolarHBondContact CB-O 3.42Å; G1849-E1851 VanDerWaalsContact CA-OE2 3.31Å; G1849-E1851 WeakPolarHBondContact CA-OE2 3.48Å; G1849-E1851 VanDerWaalsContact N-CD 3.33Å; G1849-E1851 PolarHBondContact N-OE1 2.9Å; G1849-E1851 PolarHBondContact N-OE2 3.04Å
1850S73.3Confident73Confident76 Ų7661.2 Ų61.253%0.53130%0.303SS..SBendtrans-93.4-13.1-178.8-50.10000113.5K1822K1822-S1850 PolarHBondContact NZ-OG 2.91Å
1851E66.2Low72.2Confident63 Ų6360.3 Ų60.329%0.29430%0.3SS..SBendtrans-79.4159.4-177.874.8-68.9169.700113.1N1783 S1818 C1848 G1849N1783-E1851 VanDerWaalsContact ND2-CG 3.35Å; N1783-E1851 WeakPolarHBondContact ND2-CG 3.33Å; N1783-E1851 PolarHBondContact ND2-OE1 3.29Å; S1818-E1851 WeakPolarHBondContact CB-OE2 3.15Å; S1818-E1851 PolarHBondContact OG-OE2 3.43Å; C1848-E1851 WeakPolarHBondContact CA-OE1 3.31Å; C1848-E1851 WeakPolarHBondContact CB-OE1 3.31Å; G1849-E1851 VanDerWaalsContact CA-OE2 3.31Å; G1849-E1851 WeakPolarHBondContact CA-OE2 3.48Å; G1849-E1851 VanDerWaalsContact N-CD 3.33Å; G1849-E1851 PolarHBondContact N-OE1 2.9Å; G1849-E1851 PolarHBondContact N-OE2 3.04Å
1852R62.1Low71.2Confident240 Ų24058.2 Ų58.291%0.90630%0.297SS*.PPolyproline II helixtrans-81.8130.9167.7-64.8-177.4179.2-172.1-0.5108.4S1854R1852-S1854 PolarHBondContact O-N 3.21Å
1853M62.3Low70.2Confident45 Ų4557.7 Ų57.722%0.22230%0.299CS..PPolyproline II helixtrans-61.3123.2170.4-178.6170.566.500109.4F1825 L1846 D1857 L1858F1825-M1853 HydrophobicContact CB-CE 4.03Å; F1825-M1853 HydrophobicContact CB-SD 3.74Å; F1825-M1853 HydrophobicContact CD1-CE 3.56Å; F1825-M1853 HydrophobicContact CD1-SD 4.21Å; F1825-M1853 HydrophobicContact CD2-CE 4.08Å; F1825-M1853 HydrophobicContact CD2-SD 3.68Å; F1825-M1853 HydrophobicContact CE1-CE 3.93Å; F1825-M1853 HydrophobicContact CE2-CB 4.44Å; F1825-M1853 HydrophobicContact CE2-CE 4.4Å; F1825-M1853 HydrophobicContact CE2-SD 4.28Å; F1825-M1853 HydrophobicContact CG-CE 3.64Å; F1825-M1853 HydrophobicContact CG-SD 3.63Å; F1825-M1853 HydrophobicContact CZ-CE 4.32Å; L1846-M1853 HydrophobicContact CD2-CG 3.72Å; L1846-M1853 HydrophobicContact CD2-SD 3.6Å; L1846-M1853 VanDerWaalsContact CD2-SD 3.6Å; M1853-D1857 HydrophobicContact CG-CB 4.07Å; M1853-L1858 HydrophobicContact CE-CD1 4.2Å; M1853-L1858 HydrophobicContact CE-CD2 3.97Å; M1853-L1858 HydrophobicContact CE-CG 4.29Å; M1853-L1858 HydrophobicContact SD-CD2 3.66Å; M1853-L1858 HydrophobicContact SD-CG 4.16Å
1854S62.1Low69.7Low48 Ų4856 Ų5634%0.33629%0.29SS..PPolyproline II helixtrans-71.5157.4170.9-172.50000110.1R1852 D1856 D1857R1852-S1854 PolarHBondContact O-N 3.21Å; S1854-D1856 PolarHBondContact O-N 3.48Å; S1854-D1856 PolarHBondContact OG-N 3.4Å; S1854-D1856 PolarHBondContact OG-OD2 3.42Å; S1854-D1856 VanDerWaalsContact OG-OD2 3.13Å; S1854-D1857 WeakPolarHBondContact CA-OD2 3.19Å; S1854-D1857 VanDerWaalsContact CB-OD2 3.25Å; S1854-D1857 WeakPolarHBondContact CB-OD2 3.47Å; S1854-D1857 PolarHBondContact N-OD2 2.88Å; S1854-D1857 WeakPolarHBondContact O-CB 3.21Å; S1854-D1857 PolarHBondContact O-N 2.99Å; S1854-D1857 VanDerWaalsContact O-N 3.1Å
1855I65.3Low68.6Low123 Ų12361 Ų6163%0.63131%0.309SS*.G310 helixtrans-64.1-31.5168.3-150.8158000110.5D1857 L1858 Y1859I1855-D1857 PolarHBondContact O-N 3.07Å; I1855-L1858 WeakPolarHBondContact O-CB 3.28Å; I1855-L1858 PolarHBondContact O-N 2.89Å; I1855-L1858 VanDerWaalsContact O-N 3.08Å; I1855-Y1859 VanDerWaalsContact O-CD2 3.26Å; I1855-Y1859 WeakPolarHBondContact O-CD2 3.39Å
1856D65.5Low66.8Low98 Ų9868 Ų6852%0.52434%0.342SS..G310 helixtrans-65.1-23173.6-56.7-60.4000113.1K1786 S1854 L1858 Y1859K1786-D1856 PolarHBondContact NZ-O 2.91Å; S1854-D1856 PolarHBondContact O-N 3.48Å; S1854-D1856 PolarHBondContact OG-N 3.4Å; S1854-D1856 PolarHBondContact OG-OD2 3.42Å; S1854-D1856 VanDerWaalsContact OG-OD2 3.13Å; D1856-L1858 VanDerWaalsContact C-N 3.27Å; D1856-Y1859 PolarHBondContact O-N 3.27Å
1857D66.5Low65.2Low22 Ų2274.5 Ų74.512%0.11837%0.37CS..G310 helixtrans-75.8-18.5175.9-62-43.5000111.8N1783 R1788 F1827 L1846 M1853 S1854 I1855 Y1859N1783-D1857 PolarHBondContact OD1-OD1 3.41Å; N1783-D1857 PolarHBondContact OD1-OD2 2.92Å; R1788-D1857 VanDerWaalsContact NH1-CA 3.31Å; R1788-D1857 PolarHBondContact NH1-O 2.86Å; R1788-D1857 IonicContact NH1-OD1 3.09Å; F1827-D1857 WeakPolarHBondContact CZ-O 3.35Å; L1846-D1857 HydrophobicContact CD2-CB 3.71Å; M1853-D1857 HydrophobicContact CG-CB 4.07Å; S1854-D1857 WeakPolarHBondContact CA-OD2 3.19Å; S1854-D1857 VanDerWaalsContact CB-OD2 3.25Å; S1854-D1857 WeakPolarHBondContact CB-OD2 3.47Å; S1854-D1857 PolarHBondContact N-OD2 2.88Å; S1854-D1857 WeakPolarHBondContact O-CB 3.21Å; S1854-D1857 PolarHBondContact O-N 2.99Å; S1854-D1857 VanDerWaalsContact O-N 3.1Å; I1855-D1857 PolarHBondContact O-N 3.07Å; D1857-Y1859 VanDerWaalsContact C-N 3.28Å
1858L67.2Low63.6Low47 Ų4774.5 Ų74.525%0.24637%0.37CS..G310 helixtrans-84.1-1.1171.4-63.1174.8000113.1F1827 M1853 I1855 D1856F1827-L1858 WeakPolarHBondContact CD1-O 3.34Å; F1827-L1858 VanDerWaalsContact CE1-C 3.5Å; F1827-L1858 WeakPolarHBondContact CE1-O 3.3Å; M1853-L1858 HydrophobicContact CE-CD1 4.2Å; M1853-L1858 HydrophobicContact CE-CD2 3.97Å; M1853-L1858 HydrophobicContact CE-CG 4.29Å; M1853-L1858 HydrophobicContact SD-CD2 3.66Å; M1853-L1858 HydrophobicContact SD-CG 4.16Å; I1855-L1858 WeakPolarHBondContact O-CB 3.28Å; I1855-L1858 PolarHBondContact O-N 2.89Å; I1855-L1858 VanDerWaalsContact O-N 3.08Å; D1856-L1858 VanDerWaalsContact C-N 3.27Å
1859Y67Low62Low158 Ų15876.4 Ų76.462%0.6238%0.38SS*.  trans-107.4126.5173-69.5-81.5000111.6K1786 R1788 I1855 D1856 D1857K1786-Y1859 PolarHBondContact NZ-O 3.4Å; R1788-Y1859 PolarHBondContact NH2-O 3.16Å; I1855-Y1859 VanDerWaalsContact O-CD2 3.26Å; I1855-Y1859 WeakPolarHBondContact O-CD2 3.39Å; D1856-Y1859 PolarHBondContact O-N 3.27Å; D1857-Y1859 VanDerWaalsContact C-N 3.28Å
1860L64Low59.9Low36 Ų3677.3 Ų77.319%0.18839%0.385CS..  trans-85.1136.7169.3-72.2164.5000110.5L1781 F1827 L1844 E1864 Y1865 V1868 M1869L1781-L1860 HydrophobicContact CD1-CD2 3.74Å; L1781-L1860 HydrophobicContact CD2-CD2 4.2Å; F1827-L1860 HydrophobicContact CD1-CD1 4.46Å; F1827-L1860 HydrophobicContact CD1-CG 4.48Å; F1827-L1860 HydrophobicContact CE1-CD1 4.03Å; F1827-L1860 HydrophobicContact CE1-CD2 4.32Å; F1827-L1860 HydrophobicContact CE1-CG 3.62Å; F1827-L1860 HydrophobicContact CZ-CD1 4.35Å; F1827-L1860 HydrophobicContact CZ-CD2 4.01Å; F1827-L1860 HydrophobicContact CZ-CG 3.83Å; L1844-L1860 HydrophobicContact CD2-CD1 4.11Å; L1860-E1864 WeakPolarHBondContact CA-OE2 3.44Å; L1860-E1864 HydrophobicContact CB-CB 4.35Å; L1860-E1864 HydrophobicContact CD2-CB 3.53Å; L1860-E1864 HydrophobicContact CD2-CG 4.5Å; L1860-Y1865 HydrophobicContact CB-CD2 4.15Å; L1860-Y1865 HydrophobicContact CD1-CD2 3.84Å; L1860-V1868 HydrophobicContact CD1-CB 4.29Å; L1860-V1868 HydrophobicContact CD1-CG1 3.92Å; L1860-V1868 HydrophobicContact CD1-CG2 4.45Å; L1860-V1868 HydrophobicContact CD2-CG2 3.85Å; L1860-M1869 HydrophobicContact CD1-CE 4.49Å
1861D60.4Low58Low54 Ų5475 Ų7529%0.28937%0.369SS..  trans-77.5168.3163.577.250.1000111.8K1786 A1863 E1864 Y1865K1786-D1861 WeakPolarHBondContact CB-OD2 3.48Å; D1861-A1863 PolarHBondContact O-N 3.39Å; D1861-A1863 WeakPolarHBondContact OD1-CA 3.35Å; D1861-A1863 WeakPolarHBondContact OD1-CB 3.31Å; D1861-A1863 PolarHBondContact OD1-N 3.43Å; D1861-E1864 PolarHBondContact N-OE2 3.27Å; D1861-E1864 PolarHBondContact O-N 3.4Å; D1861-E1864 PolarHBondContact OD1-N 3.18Å; D1861-E1864 WeakPolarHBondContact OD2-CG 3.23Å; D1861-Y1865 WeakPolarHBondContact O-CB 3.25Å; D1861-Y1865 PolarHBondContact O-N 3.04Å
1862S48.1Very low56.5Low102 Ų10277.7 Ų77.771%0.71338%0.377SS*.Hα-helixtrans-61.8-25.1-176.3-56.60000114.9Q1866S1862-Q1866 WeakPolarHBondContact O-CG 3.47Å
1863A55.2Low55.4Low40 Ų4070.9 Ų70.933%0.33136%0.358SS..Hα-helixtrans-82.9-4617500000110.3D1861 Y1865 Q1866 F1867D1861-A1863 PolarHBondContact O-N 3.39Å; D1861-A1863 WeakPolarHBondContact OD1-CA 3.35Å; D1861-A1863 WeakPolarHBondContact OD1-CB 3.31Å; D1861-A1863 PolarHBondContact OD1-N 3.43Å; A1863-Y1865 VanDerWaalsContact C-N 3.32Å; A1863-Y1865 PolarHBondContact O-N 3.28Å; A1863-Q1866 WeakPolarHBondContact O-CB 3.41Å; A1863-Q1866 PolarHBondContact O-N 3.4Å; A1863-Q1866 VanDerWaalsContact O-N 3.12Å; A1863-F1867 WeakPolarHBondContact O-CD2 3.49Å; A1863-F1867 PolarHBondContact O-N 3.35Å
1864E60.3Low54.1Low1 Ų170.8 Ų70.81%0.00536%0.355CS..Hα-helixtrans-57-46.3174.3-61.3-179.7135.900111.4K1786 P1787 R1788 L1860 D1861 Q1866 F1867 V1868K1786-E1864 WeakPolarHBondContact CB-OE1 3.46Å; K1786-E1864 VanDerWaalsContact CG-OE1 3.32Å; K1786-E1864 WeakPolarHBondContact CG-OE1 3.48Å; P1787-E1864 HydrophobicContact CB-CG 3.8Å; R1788-E1864 VanDerWaalsContact CB-OE1 3.24Å; R1788-E1864 WeakPolarHBondContact CB-OE1 3.26Å; R1788-E1864 WeakPolarHBondContact CG-OE1 3.44Å; R1788-E1864 IonicContact CZ-OE1 2.74Å; R1788-E1864 IonicContact CZ-OE2 2.71Å; R1788-E1864 PolarHBondContact N-OE1 3.44Å; R1788-E1864 IonicContact NE-OE1 2.71Å; R1788-E1864 PolarHBondContact NE-OE1 3.29Å; R1788-E1864 IonicContact NE-OE2 3.94Å; R1788-E1864 PolarHBondContact NE-OE2 2.93Å; R1788-E1864 IonicContact NH2-OE1 3.07Å; R1788-E1864 IonicContact NH2-OE2 2.86Å; R1788-E1864 PolarHBondContact NH2-OE2 3.4Å; L1860-E1864 WeakPolarHBondContact CA-OE2 3.44Å; L1860-E1864 HydrophobicContact CB-CB 4.35Å; L1860-E1864 HydrophobicContact CD2-CB 3.53Å; L1860-E1864 HydrophobicContact CD2-CG 4.5Å; D1861-E1864 PolarHBondContact N-OE2 3.27Å; D1861-E1864 PolarHBondContact O-N 3.4Å; D1861-E1864 PolarHBondContact OD1-N 3.18Å; D1861-E1864 WeakPolarHBondContact OD2-CG 3.23Å; E1864-Q1866 PolarHBondContact O-N 2.98Å; E1864-F1867 PolarHBondContact O-N 3.27Å; E1864-V1868 VanDerWaalsContact O-CB 3.23Å; E1864-V1868 WeakPolarHBondContact O-CB 3.36Å; E1864-V1868 WeakPolarHBondContact O-CG2 3.29Å; E1864-V1868 PolarHBondContact O-N 3Å
1865Y59.9Low52.6Low124 Ų12471.6 Ų71.649%0.48636%0.356SS..Hα-helixtrans-59.2-30178.4-163.1-89.2000113L1860 D1861 A1863 M1869L1860-Y1865 HydrophobicContact CB-CD2 4.15Å; L1860-Y1865 HydrophobicContact CD1-CD2 3.84Å; D1861-Y1865 WeakPolarHBondContact O-CB 3.25Å; D1861-Y1865 PolarHBondContact O-N 3.04Å; A1863-Y1865 VanDerWaalsContact C-N 3.32Å; A1863-Y1865 PolarHBondContact O-N 3.28Å; Y1865-M1869 HydrophobicContact CD1-CG 4.31Å; Y1865-M1869 HydrophobicContact CD2-CE 4.14Å; Y1865-M1869 HydrophobicContact CD2-CG 4.49Å; Y1865-M1869 HydrophobicContact CE1-CG 4.02Å; Y1865-M1869 HydrophobicContact CE2-CE 3.49Å; Y1865-M1869 VanDerWaalsContact CE2-CE 3.49Å; Y1865-M1869 HydrophobicContact CE2-CG 4.21Å
1866Q52.3Low51Low147 Ų14767 Ų6769%0.68734%0.339SS*.Hα-helixtrans-73.5-35.8172.7-75.7-176.810.400113.3S1862 A1863 E1864S1862-Q1866 WeakPolarHBondContact O-CG 3.47Å; A1863-Q1866 WeakPolarHBondContact O-CB 3.41Å; A1863-Q1866 PolarHBondContact O-N 3.4Å; A1863-Q1866 VanDerWaalsContact O-N 3.12Å; E1864-Q1866 PolarHBondContact O-N 2.98Å
1867F53.6Low49.3Very low135 Ų13565.2 Ų65.259%0.59234%0.344SS*.Hα-helixtrans-80.9-26.5177.2-65.8-62.8000113.6V1790 A1863 E1864V1790-F1867 HydrophobicContact CG2-CB 3.81Å; A1863-F1867 WeakPolarHBondContact O-CD2 3.49Å; A1863-F1867 PolarHBondContact O-N 3.35Å; E1864-F1867 PolarHBondContact O-N 3.27Å
1868V57.4Low47.6Very low0 Ų069.2 Ų69.20%037%0.371CS..Hα-helixtrans-81.2-55.3-171.4161.90000112.9L1781 V1790 L1844 L1860 E1864L1781-V1868 HydrophobicContact CD1-CG1 4.38Å; L1781-V1868 HydrophobicContact CD1-CG2 3.76Å; L1781-V1868 HydrophobicContact CD2-CG2 3.62Å; L1781-V1868 HydrophobicContact CG-CG2 3.83Å; V1790-V1868 HydrophobicContact CG1-CG2 4.34Å; V1790-V1868 HydrophobicContact CG2-CG2 3.5Å; L1844-V1868 HydrophobicContact CD1-CG1 3.45Å; L1844-V1868 VanDerWaalsContact CD1-CG1 3.45Å; L1844-V1868 HydrophobicContact CD2-CG1 3.42Å; L1844-V1868 VanDerWaalsContact CD2-CG1 3.42Å; L1844-V1868 HydrophobicContact CG-CG1 4.05Å; L1860-V1868 HydrophobicContact CD1-CB 4.29Å; L1860-V1868 HydrophobicContact CD1-CG1 3.92Å; L1860-V1868 HydrophobicContact CD1-CG2 4.45Å; L1860-V1868 HydrophobicContact CD2-CG2 3.85Å; E1864-V1868 VanDerWaalsContact O-CB 3.23Å; E1864-V1868 WeakPolarHBondContact O-CB 3.36Å; E1864-V1868 WeakPolarHBondContact O-CG2 3.29Å; E1864-V1868 PolarHBondContact O-N 3Å
1869M48.5Very low45.9Very low41 Ų4172.6 Ų72.620%0.20240%0.396CS..SBendtrans-65.6126-163.7-73.6-63.7172.400111.8L1844 L1860 Y1865L1844-M1869 HydrophobicContact CD2-CE 4.49Å; L1860-M1869 HydrophobicContact CD1-CE 4.49Å; Y1865-M1869 HydrophobicContact CD1-CG 4.31Å; Y1865-M1869 HydrophobicContact CD2-CE 4.14Å; Y1865-M1869 HydrophobicContact CD2-CG 4.49Å; Y1865-M1869 HydrophobicContact CE1-CG 4.02Å; Y1865-M1869 HydrophobicContact CE2-CE 3.49Å; Y1865-M1869 VanDerWaalsContact CE2-CE 3.49Å; Y1865-M1869 HydrophobicContact CE2-CG 4.21Å
1870P40.4Very low44.2Very low24 Ų2470.4 Ų70.416%0.15640%0.401CS..  trans-68.6155.9173.929.9-34.2000110.6D1843 R1872 L1873D1843-P1870 HydrophobicContact CB-CG 4.25Å; P1870-R1872 PolarHBondContact O-N 2.94Å; P1870-R1872 VanDerWaalsContact O-N 3.08Å; P1870-L1873 HydrophobicContact CG-CB 4.34Å
1871A33.4Very low42.5Very low26 Ų2673.9 Ų73.922%0.21543%0.428CS..THydrogen-bonded Turntrans-63.6-16.5-173.800000114.7L1974 D1977A1871-L1974 WeakPolarHBondContact O-CD2 3.17Å; A1871-L1974 WeakPolarHBondContact O-CG 3.41Å; A1871-D1977 HydrophobicContact CB-CB 3.76Å
1872R36Very low41.1Very low120 Ų12075.9 Ų75.945%0.45345%0.446SS..THydrogen-bonded Turntrans-100.8-22.4-170.8-63.3-178.9177.8176.2-4114.9P1870 D2051 D2054P1870-R1872 PolarHBondContact O-N 2.94Å; P1870-R1872 VanDerWaalsContact O-N 3.08Å; R1872-D2051 IonicContact NH2-OD2 2.69Å; R1872-D2051 PolarHBondContact NH2-OD2 2.88Å; R1872-D2054 IonicContact CZ-OD1 3.69Å; R1872-D2054 IonicContact CZ-OD2 2.9Å; R1872-D2054 VanDerWaalsContact NH1-CG 3.26Å; R1872-D2054 IonicContact NH1-OD1 3.99Å; R1872-D2054 PolarHBondContact NH1-OD1 3.37Å; R1872-D2054 IonicContact NH1-OD2 2.73Å; R1872-D2054 PolarHBondContact NH1-OD2 3.45Å; R1872-D2054 IonicContact NH2-OD1 3.22Å; R1872-D2054 PolarHBondContact NH2-OD1 3.36Å; R1872-D2054 IonicContact NH2-OD2 3.85Å; R1872-D2054 PolarHBondContact NH2-OD2 3.25Å
1873L38.7Very low40.2Very low97 Ų9782.5 Ų82.551%0.50846%0.456SS..THydrogen-bonded Turntrans-97.2-0.8-179.1-131-174.6000113.6D1843 P1870 N1875D1843-L1873 HydrophobicContact CB-CD1 4.38Å; P1870-L1873 HydrophobicContact CG-CB 4.34Å; L1873-N1875 PolarHBondContact O-N 2.8Å
1874R34.4Very low38.8Very low43 Ų4385.7 Ų85.716%0.16247%0.474CS..SBendtrans-65.786.2153.8-81.2-174-168.2152.613.3106.9V1932 L1933 I1934 L1974 D1977R1874-V1932 CarbonylContact O-C 3.58Å; R1874-L1933 VanDerWaalsContact C-C 3.41Å; R1874-L1933 CarbonylContact O-C 3.57Å; R1874-L1933 WeakPolarHBondContact O-CA 3.41Å; R1874-L1933 PolarHBondContact O-N 2.55Å; R1874-L1933 VanDerWaalsContact O-N 3.17Å; R1874-I1934 HydrophobicContact CB-CG1 4.17Å; R1874-I1934 PolarHBondContact O-N 3.36Å; R1874-L1974 HydrophobicContact CB-CD2 3.92Å; R1874-D1977 IonicContact CZ-OD2 2.64Å; R1874-D1977 IonicContact NH1-OD2 3.86Å; R1874-D1977 PolarHBondContact NH1-OD2 3.08Å; R1874-D1977 IonicContact NH2-OD2 2.65Å
1875N30.9Very low37.3Very low66 Ų6690.2 Ų90.235%0.35351%0.506SS..  trans109.7158.3158.2169.3108.6000115L1873 V1932 L1933L1873-N1875 PolarHBondContact O-N 2.8Å; N1875-V1932 PolarHBondContact O-N 2.8Å; N1875-L1933 WeakPolarHBondContact CA-O 3.35Å; N1875-L1933 VanDerWaalsContact CB-O 3.22Å; N1875-L1933 WeakPolarHBondContact CB-O 3.23Å; N1875-L1933 PolarHBondContact ND2-O 3Å
1876G30.5Very low35.9Very low27 Ų2793.1 Ų93.128%0.27852%0.521SS..  trans-177.1119.1161.800000106.2
1877G30.9Very low34.8Very low60 Ų6094.1 Ų94.162%0.61953%0.531SS*.  trans-57.7130.1179.300000110.9
1878P30.6Very low33.5Very low105 Ų10592.7 Ų92.768%0.68254%0.537SS*.  trans-85.8139.2-157.631-36.7000115.4
1879P31.1Very low32.5Very low119 Ų11997.8 Ų97.877%0.77357%0.57SS**  trans-102.1-178.7167.444.4-36.7000110.5
1880P31.2Very low31.6Very low111 Ų111102.7 Ų102.772%0.72160%0.595SS**  -133.5154.8-118.230.2-6.8000118.4
1881S29.1Very low31.2Very low110 Ų110110.8 Ų110.877%0.76962%0.622SS**  trans50.7131.814776.30000120
1882S30.4Very low31.1Very low96 Ų96119.2 Ų119.267%0.67165%0.648SS**  174.5162.754.356.80000112.3
1883R28.9Very low30.9Very low240 Ų240117.5 Ų117.591%0.90666%0.659SS**  trans70.3141.9167-59.5179.5-176.2-175.11.2115.6
1884C27.1Very low30.6Very low107 Ų107120.8 Ų120.872%0.72367%0.672SS**  cis-156.8149.2-0.5-165.10000112.7
1885S28.1Very low30.5Very low96 Ų96126.1 Ų126.167%0.67170%0.703SS**  trans61.3151.615544.70000120.1
1886K30.4Very low30.5Very low186 Ų186127.6 Ų127.681%0.80972%0.718SS**  cis-163.7154.2-8.8-112.9167.8-1751760109.7
1887L29Very low30.6Very low168 Ų168136.6 Ų136.688%0.8874%0.744SS**  trans70.6150.5153.9-68.2162.4000120.8
1888S26.1Very low30.7Very low105 Ų105141 Ų14173%0.73475%0.753SS**  trans-154.5-163.8-175.564.60000107
1889P36.7Very low30.7Very low107 Ų107142.9 Ų142.970%0.69576%0.757SS**  cis-124-163.8-4233.6-15.3000110.8
1890M30.3Very low30.8Very low144 Ų144143.6 Ų143.671%0.70975%0.75SS**  158.1149121.9-87.2-174.271.400116.9
1891R31.6Very low30.7Very low193 Ų193145.1 Ų145.173%0.72875%0.745SS**  trans73.1144.9161.6-68167.9-170.4-169.45.9118.2
1892R31.5Very low30.8Very low204 Ų204148.4 Ų148.477%0.7775%0.746SS**  cis-170141.3-17.2170.8-179.6-77.1172.9-7.4110.8
1893A32.6Very low30.8Very low83 Ų83149 Ų14969%0.68675%0.745SS**  trans68.3155.3164.400000117
1894Q31.8Very low30.8Very low166 Ų166144.6 Ų144.678%0.77674%0.74SS**  cis-151133.37.3-146.2159.8-41.400112.3
1895L31.3Very low30.8Very low156 Ų156143.7 Ų143.782%0.81774%0.735SS**  trans56.2131161.3-61.7158.2000118.5
1896S31.8Very low30.7Very low96 Ų96145.9 Ų145.967%0.67173%0.734SS**  cis-166.2-177.4-8.565.40000107.6
1897R33.3Very low30.4Very low216 Ų216144.2 Ų144.282%0.81573%0.727SS**  cis-160.9-177.77.6-139169.4-174.7165.10.7107.8
1898L32.7Very low30.3Very low154 Ų154145.3 Ų145.381%0.80672%0.721SS**  trans32.497.1157.3-55.3176.1000118
1899N29Very low30.3Very low144 Ų144147.7 Ų147.777%0.7772%0.721SS**  cis90.3150.513.9-158.235.8000118.2
1900E33.6Very low29.9Very low133 Ų133148.8 Ų148.862%0.62172%0.721SS**  trans90.4141.1171.4-50.7-151.8153.500118
1901K30.6Very low29.6Very low144 Ų144153.4 Ų153.463%0.62673%0.73SS**  cis-167.3157.3-8-110.7172.6-171.5149.50112.4
1902F29.9Very low29.6Very low178 Ų178149.7 Ų149.778%0.78173%0.731SS**  trans72.4155.2149.8-83.4-135000120.7
1903V31.7Very low29.3Very low109 Ų109147.2 Ų147.266%0.66174%0.738SS**  cis-164.5147.4-28.699.50000114.2
1904N28.4Very low29.1Very low148 Ų148146.1 Ų146.179%0.79174%0.735SS**  trans29.9120.6153.9-68.5-11.7000127
1905S27.4Very low28.9Very low88 Ų88150 Ų15062%0.61574%0.742SS**  85.1122.6105.2-170.10000125.9
1906Q25.5Very low28.6Very low141 Ų141146.5 Ų146.566%0.65974%0.736SS**  trans78.7125.2136.5-81.2178.574.200125.9
1907K24.6Very low28.3Very low151 Ų151151.8 Ų151.866%0.65774%0.743SS**  trans83.7157.8131.2-77175.5177155.70122.7
1908Y26.9Very low27.9Very low192 Ų192150.4 Ų150.475%0.75374%0.743SS**  trans69.3128.1176.4-56.4-74.3000114.8
1909Q24.9Very low27.5Very low155 Ų155149 Ų14972%0.72474%0.741SS**  cis8914241.8-76.8-167.7-15.900114.8
1910N29.4Very low27.2Very low130 Ų130151.3 Ų151.370%0.69574%0.744SS**  trans79.691.8158.1-61.2-30.1000121.2
1911R23.5Very low26.7Very low241 Ų241149.8 Ų149.891%0.90974%0.744SS**  74162.2120.4-79.2-170.3173.3-153.3-1.9119.6
1912P31.7Very low26.4Very low115 Ų115150.8 Ų150.875%0.74775%0.753SS**  trans-113.1177.3-156.443-35.2000114.4
1913V25.5Very low26.1Very low152 Ų152150.7 Ų150.792%0.92176%0.759SS**  trans178.1149.1138.3141.90000110.5
1914G28.1Very low25.7Very low60 Ų60148.9 Ų148.962%0.61976%0.762SS**  trans119.890.9168.300000114.6
1915R26.8Very low25.5Very low246 Ų246146 Ų14693%0.92875%0.75SS**  59.994.9100.3-70.1-178.6173.6173.1-2.3113.5
1916A25.6Very low25.2Very low84 Ų84147.1 Ų147.169%0.69475%0.753SS**  93.7142.392.400000111.4
1917Y25.5Very low25.1Very low207 Ų207145.9 Ų145.981%0.81276%0.755SS**  cis-119.514720.4-77.8-115.3000112.1
1918K24.6Very low25Very low187 Ų187142.6 Ų142.681%0.81374%0.739SS**  38.5127.8112.6-56.7-170.5173.7-172.10114.9
1919T23.7Very low24.7Very low124 Ų124137.1 Ų137.176%0.76173%0.728SS**  cis-150.9122.626.2-51.70000107
1920K23.6Very low24.7Very low193 Ų193138.2 Ų138.284%0.83973%0.733SS**  50.8126.875.1-128.6-166.3176-165.40111.3
1921V22.9Very low24.5Very low101 Ų101136.4 Ų136.461%0.61273%0.726SS**  -160.8157.453.3165.70000109.8
1922M23.3Very low24.5Very low165 Ų165126.2 Ų126.281%0.81369%0.691SS**  trans21.8128.2164.4-60178.3-49.200119.9
1923L23.9Very low24.2Very low176 Ų176121 Ų12192%0.92166%0.657SS**  cis6975.114.5-143.7168.1000114.5
1924G24.7Very low24.1Very low70 Ų70113.9 Ų113.972%0.72261%0.613SS**  trans-162.4147.6173.100000112
1925T22.3Very low23.9Very low88 Ų88115.8 Ų115.854%0.5461%0.613SS.*  trans-8.4116.9178.3-41.60000120.9E1768 P1769E1768-T1925 PolarHBondContact OE2-OG1 2.8Å; P1769-T1925 HydrophobicContact CG-CG2 4.25Å
1926V22.7Very low23.8Very low112 Ų112106.3 Ų106.368%0.67958%0.582SS**  174.4139.5124.3151.70000109.1Y1928V1926-Y1928 PolarHBondContact O-N 3.2Å
1927T22.5Very low23.8Very low114 Ų114106.6 Ų106.670%0.69958%0.575SS**  trans-76.6112.9-173.249.70000113.6
1928Y21.9Very low23.7Very low83 Ų83103.4 Ų103.433%0.32557%0.567SS.*  trans-141.3159.9170.2-112.8-94.5000112.2V1926 D2054 A2055 A2058V1926-Y1928 PolarHBondContact O-N 3.2Å; Y1928-D2054 PolarHBondContact OH-O 3.35Å; Y1928-A2055 WeakPolarHBondContact OH-CA 3.29Å; Y1928-A2055 PolarHBondContact OH-N 3.09Å; Y1928-A2058 HydrophobicContact CE2-CB 3.63Å; Y1928-A2058 WeakPolarHBondContact OH-CB 3.23Å
1929C21.3Very low23.8Very low76 Ų76101.9 Ų101.951%0.51457%0.567SS.*  trans56101.5167.1-63.70000120.1
1930H25.4Very low24Very low179 Ų179106.7 Ų106.783%0.82957%0.572SS**  trans-152.9150.3152.6-97.4-89.8000109.9
1931V24Very low24.2Very low91 Ų91103.4 Ų103.455%0.55257%0.57SS**  cis144.6133.2-6.71440000107.1
1932V24.6Very low24.3Very low27 Ų27106.4 Ų106.416%0.16458%0.583CS.*  cis-149.7-110.710.2122.10000117.4R1874 N1875 P1973 L1974R1874-V1932 CarbonylContact O-C 3.58Å; N1875-V1932 PolarHBondContact O-N 2.8Å; V1932-P1973 HydrophobicContact CG2-CB 3.78Å; V1932-P1973 HydrophobicContact CG2-CG 3.49Å; V1932-P1973 VanDerWaalsContact CG2-CG 3.49Å; V1932-L1974 PolarHBondContact O-N 3.27Å
1933L24.5Very low24.5Very low6 Ų6101.6 Ų101.63%0.03158%0.575CS.*  trans-125.7137.8-160.7149.2138000118.6R1874 N1875 W1971 G1972 P1973 L1974 H1984R1874-L1933 VanDerWaalsContact C-C 3.41Å; R1874-L1933 CarbonylContact O-C 3.57Å; R1874-L1933 WeakPolarHBondContact O-CA 3.41Å; R1874-L1933 PolarHBondContact O-N 2.55Å; R1874-L1933 VanDerWaalsContact O-N 3.17Å; N1875-L1933 WeakPolarHBondContact CA-O 3.35Å; N1875-L1933 VanDerWaalsContact CB-O 3.22Å; N1875-L1933 WeakPolarHBondContact CB-O 3.23Å; N1875-L1933 PolarHBondContact ND2-O 3Å; L1933-W1971 HydrophobicContact CD1-CB 4.38Å; L1933-G1972 VanDerWaalsContact CD1-C 3.41Å; L1933-G1972 WeakPolarHBondContact CD1-O 3.35Å; L1933-P1973 VanDerWaalsContact CB-CA 3.46Å; L1933-L1974 VanDerWaalsContact CA-N 3.26Å; L1933-H1984 WeakPolarHBondContact CD1-ND1 3.42Å
1934I24.2Very low24.6Very low2 Ų299.7 Ų99.71%0.0157%0.566CS.*  trans-13.8131.4157.7-71.4160.2000116.1R1874 V1936 P1958 L1974 V1982 H1984R1874-I1934 HydrophobicContact CB-CG1 4.17Å; R1874-I1934 PolarHBondContact O-N 3.36Å; I1934-V1936 HydrophobicContact CG2-CB 4.23Å; I1934-V1936 HydrophobicContact CG2-CG2 3.79Å; I1934-V1936 VanDerWaalsContact CG2-N 3.34Å; I1934-P1958 HydrophobicContact CG2-CG 3.84Å; I1934-L1974 HydrophobicContact CD1-CB 4.18Å; I1934-L1974 HydrophobicContact CD1-CD1 3.62Å; I1934-L1974 HydrophobicContact CD1-CD2 3.74Å; I1934-L1974 HydrophobicContact CD1-CG 4.03Å; I1934-L1974 HydrophobicContact CG1-CB 4.04Å; I1934-L1974 HydrophobicContact CG1-CD1 4.3Å; I1934-L1974 HydrophobicContact CG1-CD2 3.56Å; I1934-L1974 HydrophobicContact CG1-CG 4.15Å; I1934-V1982 HydrophobicContact CD1-CB 4.18Å; I1934-V1982 HydrophobicContact CD1-CG1 4.43Å; I1934-V1982 HydrophobicContact CD1-CG2 4.28Å; I1934-H1984 WeakPolarHBondContact CD1-CE1 3.46Å; I1934-H1984 VanDerWaalsContact CD1-NE2 3.34Å; I1934-H1984 WeakPolarHBondContact CD1-NE2 3.45Å
1935V24.8Very low24.8Very low100 Ų100105.8 Ų105.861%0.60657%0.569SS**  trans-122.8111.8136.8-1770000108.6
1936V24.1Very low25Very low47 Ų47108.6 Ų108.629%0.28558%0.579SS.*  trans-98.8130165.11700000107.6I1934 Q1938I1934-V1936 HydrophobicContact CG2-CB 4.23Å; I1934-V1936 HydrophobicContact CG2-CG2 3.79Å; I1934-V1936 VanDerWaalsContact CG2-N 3.34Å; V1936-Q1938 HydrophobicContact CG1-CB 4.48Å
1937V25.3Very low25.2Very low91 Ų91108.6 Ų108.655%0.55258%0.58SS**  trans-165.9110.7148.6143.30000103.7A1959V1937-A1959 HydrophobicContact CG2-CB 3.5Å; V1937-A1959 VanDerWaalsContact CG2-CB 3.5Å
1938Q23.9Very low25.4Very low139 Ų139107.2 Ų107.265%0.6558%0.575SS**  62.590.250.5-168.2-171.1-27.500112.9V1936V1936-Q1938 HydrophobicContact CG1-CB 4.48Å
1939L25.9Very low25.6Very low155 Ų155112.2 Ų112.281%0.81260%0.6SS**  trans-153151.4153.2-107.5169000110.7
1940R28.8Very low25.9Very low226 Ų226113 Ų11385%0.85361%0.612SS**  trans-92.1164.3175-55.7172-174.8147.3-1109
1941P27.6Very low25.9Very low123 Ų123108.4 Ų108.480%0.79961%0.613SS**SBendtrans-133.8100.7139.232.4-18000112.5
1942N25.3Very low26.1Very low165 Ų165111.9 Ų111.988%0.88263%0.629SS**SBendtrans-154.3107.8134.4-97.4-15.5000104.1
1943G27.8Very low26.2Very low64 Ų64115.6 Ų115.666%0.6666%0.656SS**SBendtrans105.965.1-170.300000115.5
1944D24.5Very low26.4Very low135 Ų135118.4 Ų118.472%0.72269%0.687SS**  trans61.4150.7136.8-42.8-30.8000123.8
1945Y29Very low26.6Very low199 Ų199120.2 Ų120.278%0.7870%0.702SS**  trans65.9139.7169.9-52.5-86.8000119
1946L26.4Very low27.2Very low146 Ų146117 Ų11776%0.76469%0.69SS**  cis-172.4155.4-42.1-114.4179.2000108
1947V26.9Very low28.1Very low113 Ų113116.4 Ų116.469%0.68569%0.686SS**  trans73.698.8151.21770000121
1948S26.4Very low29.1Very low85 Ų85112.1 Ų112.159%0.59466%0.66SS**  63.5130.2126.3850000124.5
1949H27.8Very low30.3Very low187 Ų187108.3 Ų108.387%0.86665%0.652SS**  57.9155.7125.2-58.2-3.8000120.4
1950A27Very low31.9Very low92 Ų92104.5 Ų104.576%0.7663%0.627SS**  cis-173.3136.3-28.700000106.8
1951G25.5Very low33.6Very low83 Ų8393.8 Ų93.886%0.85659%0.587SS**  trans5593.7161.500000118.7
1952N27.8Very low35.4Very low165 Ų16590 Ų9088%0.88256%0.562SS**  trans-148.7155.1138.5-146.8-2.7000111.2
1953S26.7Very low37.5Very low104 Ų10485.6 Ų85.673%0.72754%0.541SS*.  trans-88.4127.4-172.6-55.70000112.2
1954G28.1Very low39.5Very low66 Ų6688 Ų8868%0.6854%0.535SS*.SBendtrans157.7151.6171.100000113.7G1956G1954-G1956 PolarHBondContact O-N 2.77Å
1955A29.7Very low41.7Very low39 Ų3981.7 Ų81.732%0.32250%0.501SS..  trans-17.381.8172.400000116.6V1957 E1970 W1971A1955-V1957 PolarHBondContact O-N 3.47Å; A1955-E1970 HydrophobicContact CB-CG 3.46Å; A1955-E1970 VanDerWaalsContact CB-CG 3.46Å; A1955-W1971 VanDerWaalsContact CB-O 3.26Å; A1955-W1971 WeakPolarHBondContact CB-O 3.21Å
1956G36.9Very low43.9Very low34 Ų3475.6 Ų75.635%0.35148%0.477SS..  trans-77.275.7-169.700000113.6G1954G1954-G1956 PolarHBondContact O-N 2.77Å
1957V43.1Very low46.4Very low34 Ų3473.9 Ų73.921%0.20647%0.468CS..  trans-55125.9-177.5-1640000111A1955 A1959 L1961 R1966 W1971A1955-V1957 PolarHBondContact O-N 3.47Å; V1957-A1959 PolarHBondContact O-N 2.9Å; V1957-L1961 HydrophobicContact CG1-CB 4.27Å; V1957-L1961 HydrophobicContact CG1-CD1 3.58Å; V1957-R1966 HydrophobicContact CB-CG 3.95Å; V1957-R1966 HydrophobicContact CG1-CG 3.73Å; V1957-R1966 HydrophobicContact CG2-CG 4.11Å; V1957-W1971 HydrophobicContact CB-CB 4.45Å; V1957-W1971 HydrophobicContact CB-CG 4.25Å; V1957-W1971 HydrophobicContact CG1-CB 4.34Å; V1957-W1971 VanDerWaalsContact CG1-CD1 3.47Å; V1957-W1971 HydrophobicContact CG1-CD2 4.05Å; V1957-W1971 HydrophobicContact CG1-CG 3.68Å; V1957-W1971 HydrophobicContact CG2-CB 3.99Å; V1957-W1971 VanDerWaalsContact CG2-CD1 3.46Å; V1957-W1971 HydrophobicContact CG2-CG 3.9Å
1958P46.6Very low48.9Very low1 Ų174.6 Ų74.61%0.00646%0.459CS..  trans-50.5125.4176.3-22.724.2000112.1I1934 W1960 L1961I1934-P1958 HydrophobicContact CG2-CG 3.84Å; P1958-W1960 HydrophobicContact CB-CD2 4.24Å; P1958-W1960 HydrophobicContact CB-CG 4.36Å; P1958-W1960 HydrophobicContact CB-CZ2 3.98Å; P1958-W1960 VanDerWaalsContact CB-NE1 3.3Å; P1958-W1960 HydrophobicContact CG-CZ2 4.31Å; P1958-W1960 PolarHBondContact O-N 2.73Å; P1958-L1961 HydrophobicContact CB-CD1 4.03Å; P1958-L1961 HydrophobicContact CG-CD1 3.86Å; P1958-L1961 WeakPolarHBondContact O-CB 3.48Å; P1958-L1961 PolarHBondContact O-N 2.69Å
1959A48.6Very low51.6Low59 Ų5970.7 Ų70.749%0.48843%0.431SS..THydrogen-bonded Turntrans-62.6-23.1-168.200000113.9V1937 V1957 L1961 R1966V1937-A1959 HydrophobicContact CG2-CB 3.5Å; V1937-A1959 VanDerWaalsContact CG2-CB 3.5Å; V1957-A1959 PolarHBondContact O-N 2.9Å; A1959-L1961 VanDerWaalsContact C-N 3.28Å; A1959-L1961 PolarHBondContact O-N 3.05Å; A1959-R1966 PolarHBondContact O-NH1 2.64Å
1960W60.5Low54.1Low74 Ų7466.7 Ų66.728%0.2841%0.413SS..THydrogen-bonded Turntrans-72.1-11.7176.257.9-99.9000114.9P1958 V1999 L2039P1958-W1960 HydrophobicContact CB-CD2 4.24Å; P1958-W1960 HydrophobicContact CB-CG 4.36Å; P1958-W1960 HydrophobicContact CB-CZ2 3.98Å; P1958-W1960 VanDerWaalsContact CB-NE1 3.3Å; P1958-W1960 HydrophobicContact CG-CZ2 4.31Å; P1958-W1960 PolarHBondContact O-N 2.73Å; W1960-V1999 HydrophobicContact CH2-CG1 3.86Å; W1960-V1999 HydrophobicContact CZ3-CG1 3.97Å; W1960-L2039 HydrophobicContact CE3-CD1 3.92Å; W1960-L2039 HydrophobicContact CE3-CD2 4.37Å; W1960-L2039 HydrophobicContact CZ3-CD1 3.68Å; W1960-L2039 HydrophobicContact CZ3-CD2 3.81Å; W1960-L2039 HydrophobicContact CZ3-CG 4.42Å
1961L63Low56.8Low2 Ų262.4 Ų62.41%0.0138%0.377CS..SBendtrans-71.9137.8169.7-74.3157.2000110V1957 P1958 A1959 L1965 R1966 W1971 V1999 L2039 L2041V1957-L1961 HydrophobicContact CG1-CB 4.27Å; V1957-L1961 HydrophobicContact CG1-CD1 3.58Å; P1958-L1961 HydrophobicContact CB-CD1 4.03Å; P1958-L1961 HydrophobicContact CG-CD1 3.86Å; P1958-L1961 WeakPolarHBondContact O-CB 3.48Å; P1958-L1961 PolarHBondContact O-N 2.69Å; A1959-L1961 VanDerWaalsContact C-N 3.28Å; A1959-L1961 PolarHBondContact O-N 3.05Å; L1961-L1965 HydrophobicContact CD2-CD1 3.75Å; L1961-R1966 PolarHBondContact O-NH1 2.89Å; L1961-R1966 PolarHBondContact O-NH2 2.65Å; L1961-R1966 VanDerWaalsContact O-NH2 3.09Å; L1961-W1971 HydrophobicContact CD1-CD2 4.2Å; L1961-W1971 HydrophobicContact CD1-CE3 4.2Å; L1961-W1971 HydrophobicContact CD1-CH2 3.86Å; L1961-W1971 HydrophobicContact CD1-CZ2 3.88Å; L1961-W1971 HydrophobicContact CD1-CZ3 4.04Å; L1961-W1971 HydrophobicContact CD2-CH2 4Å; L1961-W1971 HydrophobicContact CD2-CZ2 4.17Å; L1961-V1999 HydrophobicContact CD2-CG1 4.43Å; L1961-L2039 HydrophobicContact CD2-CD1 4.29Å; L1961-L2041 HydrophobicContact CD2-CD2 4.38Å
1962P65.8Low59.3Low43 Ų4359 Ų5928%0.27934%0.342SS..  trans-62.5159.1174.7-29.540000114.5E1964 L1965 R1966 L2036P1962-E1964 VanDerWaalsContact C-N 3.28Å; P1962-E1964 WeakPolarHBondContact CB-OE2 3.16Å; P1962-E1964 PolarHBondContact O-N 3.03Å; P1962-L1965 PolarHBondContact O-N 3.14Å; P1962-R1966 PolarHBondContact O-N 2.67Å; P1962-L2036 HydrophobicContact CG-CD1 3.94Å
1963V69.1Low61.7Low73 Ų7352.5 Ų52.544%0.44231%0.309SS..Hα-helixtrans-63.4-37.3-173.6177.20000111.2L1965 R1966 D1967V1963-L1965 PolarHBondContact O-N 2.69Å; V1963-R1966 WeakPolarHBondContact O-CA 3.42Å; V1963-R1966 WeakPolarHBondContact O-CB 3.43Å; V1963-R1966 PolarHBondContact O-N 2.6Å; V1963-D1967 WeakPolarHBondContact CG1-OD2 3.43Å; V1963-D1967 PolarHBondContact O-N 3.42Å
1964E69.3Low64.2Low114 Ų11447.9 Ų47.953%0.53328%0.276SS..Hα-helixtrans-60.1-21-179.3-53.478.8-17700112.9P1962 R1968P1962-E1964 VanDerWaalsContact C-N 3.28Å; P1962-E1964 WeakPolarHBondContact CB-OE2 3.16Å; P1962-E1964 PolarHBondContact O-N 3.03Å; E1964-R1968 WeakPolarHBondContact O-CD 3.46Å; E1964-R1968 VanDerWaalsContact O-CG 3.28Å; E1964-R1968 WeakPolarHBondContact O-CG 3.38Å
1965L72.5Confident66.7Low2 Ų248.2 Ų48.21%0.0126%0.262CS..Hα-helixtrans-93.2-30.1172.5-68178.5000113.5L1961 P1962 V1963 D1967 F1969 W1971 I2034 L2036 L2041L1961-L1965 HydrophobicContact CD2-CD1 3.75Å; P1962-L1965 PolarHBondContact O-N 3.14Å; V1963-L1965 PolarHBondContact O-N 2.69Å; L1965-D1967 VanDerWaalsContact C-N 3.26Å; L1965-F1969 HydrophobicContact CD2-CD2 4.38Å; L1965-F1969 HydrophobicContact CD2-CE2 4.23Å; L1965-F1969 PolarHBondContact O-N 3.26Å; L1965-W1971 HydrophobicContact CB-CZ2 4.27Å; L1965-W1971 HydrophobicContact CD1-CZ2 4.47Å; L1965-W1971 PolarHBondContact O-NE1 2.68Å; L1965-I2034 HydrophobicContact CD2-CD1 3.65Å; L1965-I2034 HydrophobicContact CD2-CG2 4.16Å; L1965-L2036 HydrophobicContact CD1-CD1 3.53Å; L1965-L2036 HydrophobicContact CG-CD1 4.19Å; L1965-L2041 HydrophobicContact CD1-CD1 3.91Å; L1965-L2041 HydrophobicContact CD1-CD2 3.35Å; L1965-L2041 HydrophobicContact CD1-CG 4.31Å; L1965-L2041 HydrophobicContact CD2-CD2 4Å; L1965-L2041 HydrophobicContact CG-CD2 4.31Å
1966R74.9Confident68.7Low72 Ų7247.4 Ų47.427%0.27226%0.257SS..Hα-helixtrans-66.5-30.7171.5-76.4-171.8-80.2-102.6-3.7111.5V1957 A1959 L1961 P1962 V1963 K1989V1957-R1966 HydrophobicContact CB-CG 3.95Å; V1957-R1966 HydrophobicContact CG1-CG 3.73Å; V1957-R1966 HydrophobicContact CG2-CG 4.11Å; A1959-R1966 PolarHBondContact O-NH1 2.64Å; L1961-R1966 PolarHBondContact O-NH1 2.89Å; L1961-R1966 PolarHBondContact O-NH2 2.65Å; L1961-R1966 VanDerWaalsContact O-NH2 3.09Å; P1962-R1966 PolarHBondContact O-N 2.67Å; V1963-R1966 WeakPolarHBondContact O-CA 3.42Å; V1963-R1966 WeakPolarHBondContact O-CB 3.43Å; V1963-R1966 PolarHBondContact O-N 2.6Å; R1966-K1989 PolarHBondContact O-NZ 2.58Å
1967D78Confident70.4Confident109 Ų10948.7 Ų48.758%0.58326%0.256SS*.THydrogen-bonded Turntrans-83.4-26.8-178.4-64.1-18.6000113V1963 L1965 K1989V1963-D1967 WeakPolarHBondContact CG1-OD2 3.43Å; V1963-D1967 PolarHBondContact O-N 3.42Å; L1965-D1967 VanDerWaalsContact C-N 3.26Å; D1967-K1989 WeakPolarHBondContact O-CD 3.28Å
1968R79.6Confident71.2Confident129 Ų12948.8 Ų48.849%0.48726%0.264SS..THydrogen-bonded Turntrans-86-33.9177.8-68.6176.1-172.4-147.80.2114E1964 H1988 K1989E1964-R1968 WeakPolarHBondContact O-CD 3.46Å; E1964-R1968 VanDerWaalsContact O-CG 3.28Å; E1964-R1968 WeakPolarHBondContact O-CG 3.38Å; R1968-H1988 PolarHBondContact O-CD2 3.05Å; R1968-K1989 PolarHBondContact O-N 2.74Å
1969F82.4Confident72.1Confident3 Ų355.4 Ų55.41%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-129139.8-170.9-56.4-78.7000111.9L1965 W1971 C1986 H1988 I2034 V2043L1965-F1969 HydrophobicContact CD2-CD2 4.38Å; L1965-F1969 HydrophobicContact CD2-CE2 4.23Å; L1965-F1969 PolarHBondContact O-N 3.26Å; F1969-W1971 VanDerWaalsContact O-CD1 3.3Å; F1969-C1986 HydrophobicContact CB-CB 4.03Å; F1969-C1986 HydrophobicContact CD1-CB 4.36Å; F1969-C1986 WeakPolarHBondContact CD1-SG 3.29Å; F1969-H1988 HydrophobicContact CD1-CB 3.99Å; F1969-H1988 AromaticContact CD1-CD2 3.83Å; F1969-H1988 HydrophobicContact CE1-CB 4Å; F1969-H1988 AromaticContact CE1-CD2 3.45Å; F1969-H1988 VanDerWaalsContact CE1-CD2 3.45Å; F1969-H1988 WeakPolarHBondContact CE1-CD2 3.34Å; F1969-I2034 HydrophobicContact CE2-CD1 3.74Å; F1969-I2034 HydrophobicContact CZ-CD1 4.18Å; F1969-V2043 HydrophobicContact CE1-CG1 4.14Å; F1969-V2043 HydrophobicContact CE1-CG2 4.29Å; F1969-V2043 HydrophobicContact CZ-CG1 4.44Å; F1969-V2043 HydrophobicContact CZ-CG2 3.82Å
1970E81.7Confident73.2Confident102 Ų10256.6 Ų56.648%0.47729%0.294SS..EExtended strand (participates in β ladder)trans-92.8121.8162.6-177.7171.117600107.9A1955 C1986 V1987 K1989A1955-E1970 HydrophobicContact CB-CG 3.46Å; A1955-E1970 VanDerWaalsContact CB-CG 3.46Å; E1970-C1986 CarbonylContact O-C 3.58Å; E1970-C1986 WeakPolarHBondContact O-CA 3.35Å; E1970-C1986 VanDerWaalsContact O-CB 3.25Å; E1970-C1986 WeakPolarHBondContact O-CB 3.3Å; E1970-V1987 HydrophobicContact CB-CB 4.41Å; E1970-V1987 PolarHBondContact N-O 3.12Å; E1970-V1987 PolarHBondContact O-N 2.74Å; E1970-K1989 HydrophobicContact CB-CG 4.26Å
1971W82.3Confident74.1Confident2 Ų253.8 Ų53.81%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-94.6124.7-165.6-69.668.8000112.6L1933 A1955 V1957 L1961 L1965 F1969 H1984 V1997 V1999 L2041L1933-W1971 HydrophobicContact CD1-CB 4.38Å; A1955-W1971 VanDerWaalsContact CB-O 3.26Å; A1955-W1971 WeakPolarHBondContact CB-O 3.21Å; V1957-W1971 HydrophobicContact CB-CB 4.45Å; V1957-W1971 HydrophobicContact CB-CG 4.25Å; V1957-W1971 HydrophobicContact CG1-CB 4.34Å; V1957-W1971 VanDerWaalsContact CG1-CD1 3.47Å; V1957-W1971 HydrophobicContact CG1-CD2 4.05Å; V1957-W1971 HydrophobicContact CG1-CG 3.68Å; V1957-W1971 HydrophobicContact CG2-CB 3.99Å; V1957-W1971 VanDerWaalsContact CG2-CD1 3.46Å; V1957-W1971 HydrophobicContact CG2-CG 3.9Å; L1961-W1971 HydrophobicContact CD1-CD2 4.2Å; L1961-W1971 HydrophobicContact CD1-CE3 4.2Å; L1961-W1971 HydrophobicContact CD1-CH2 3.86Å; L1961-W1971 HydrophobicContact CD1-CZ2 3.88Å; L1961-W1971 HydrophobicContact CD1-CZ3 4.04Å; L1961-W1971 HydrophobicContact CD2-CH2 4Å; L1961-W1971 HydrophobicContact CD2-CZ2 4.17Å; L1965-W1971 HydrophobicContact CB-CZ2 4.27Å; L1965-W1971 HydrophobicContact CD1-CZ2 4.47Å; L1965-W1971 PolarHBondContact O-NE1 2.68Å; F1969-W1971 VanDerWaalsContact O-CD1 3.3Å; W1971-H1984 HydrophobicContact CE3-CB 3.68Å; W1971-H1984 AromaticContact CE3-CG 3.61Å; W1971-H1984 AromaticContact CE3-ND1 3.63Å; W1971-H1984 HydrophobicContact CZ3-CB 3.82Å; W1971-H1984 AromaticContact CZ3-CD2 3.8Å; W1971-H1984 AromaticContact CZ3-CG 3.67Å; W1971-V1997 HydrophobicContact CH2-CB 4.32Å; W1971-V1997 HydrophobicContact CH2-CG1 3.78Å; W1971-V1997 HydrophobicContact CZ3-CB 4.21Å; W1971-V1997 HydrophobicContact CZ3-CG1 4.1Å; W1971-V1999 HydrophobicContact CH2-CG2 3.77Å; W1971-V1999 HydrophobicContact CZ3-CG2 3.78Å; W1971-L2041 HydrophobicContact CH2-CD2 3.71Å; W1971-L2041 HydrophobicContact CZ2-CD2 4.13Å
1972G79.3Confident75.1Confident12 Ų1254.6 Ų54.612%0.12429%0.291CS..EExtended strand (participates in β ladder)trans-119.3172-176.200000114.3L1933 E1985L1933-G1972 VanDerWaalsContact CD1-C 3.41Å; L1933-G1972 WeakPolarHBondContact CD1-O 3.35Å; G1972-E1985 CarbonylContact C-O 3.22Å; G1972-E1985 WeakPolarHBondContact CA-O 3.28Å; G1972-E1985 PolarHBondContact N-O 2.98Å; G1972-E1985 CarbonylContact O-C 3.58Å; G1972-E1985 PolarHBondContact O-N 3.43Å
1973P77.1Confident76.1Confident28 Ų2854.2 Ų54.218%0.18229%0.288CS..EExtended strand (participates in β ladder)trans14.9117.5166.3-23.6-2.6000121V1932 L1933 L1975 H1984 E1985V1932-P1973 HydrophobicContact CG2-CB 3.78Å; V1932-P1973 HydrophobicContact CG2-CG 3.49Å; V1932-P1973 VanDerWaalsContact CG2-CG 3.49Å; L1933-P1973 VanDerWaalsContact CB-CA 3.46Å; P1973-L1975 HydrophobicContact CB-CD2 3.83Å; P1973-L1975 PolarHBondContact O-N 2.82Å; P1973-H1984 CarbonylContact O-C 3.56Å; P1973-H1984 VanDerWaalsContact O-C 3.28Å; P1973-H1984 VanDerWaalsContact O-CA 3.32Å; P1973-H1984 WeakPolarHBondContact O-CA 3.35Å; P1973-E1985 HydrophobicContact CB-CB 3.74Å; P1973-E1985 HydrophobicContact CG-CB 3.85Å; P1973-E1985 HydrophobicContact CG-CG 4.34Å; P1973-E1985 WeakPolarHBondContact CG-OE2 3.42Å; P1973-E1985 PolarHBondContact O-N 3.34Å
1974L79.8Confident77Confident8 Ų850.8 Ų50.84%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-78.1114.1167.6172.363.1000106.9A1871 R1874 V1932 L1933 I1934 G1976 D1977 V1982 V1983A1871-L1974 WeakPolarHBondContact O-CD2 3.17Å; A1871-L1974 WeakPolarHBondContact O-CG 3.41Å; R1874-L1974 HydrophobicContact CB-CD2 3.92Å; V1932-L1974 PolarHBondContact O-N 3.27Å; L1933-L1974 VanDerWaalsContact CA-N 3.26Å; I1934-L1974 HydrophobicContact CD1-CB 4.18Å; I1934-L1974 HydrophobicContact CD1-CD1 3.62Å; I1934-L1974 HydrophobicContact CD1-CD2 3.74Å; I1934-L1974 HydrophobicContact CD1-CG 4.03Å; I1934-L1974 HydrophobicContact CG1-CB 4.04Å; I1934-L1974 HydrophobicContact CG1-CD1 4.3Å; I1934-L1974 HydrophobicContact CG1-CD2 3.56Å; I1934-L1974 HydrophobicContact CG1-CG 4.15Å; L1974-G1976 WeakPolarHBondContact CD1-O 3.39Å; L1974-D1977 HydrophobicContact CD2-CB 4.45Å; L1974-V1982 HydrophobicContact CD1-CB 4.15Å; L1974-V1983 VanDerWaalsContact CD1-O 3.24Å; L1974-V1983 WeakPolarHBondContact CD1-O 3.25Å
1975L81.7Confident77.9Confident72 Ų7247 Ų4738%0.37725%0.249SC..EExtended strand (participates in β ladder)trans-88.4-32.8-177.8-48.8-179.2000110.7P1973 V1983 E1985 A1996 F2046P1973-L1975 HydrophobicContact CB-CD2 3.83Å; P1973-L1975 PolarHBondContact O-N 2.82Å; L1975-V1983 HydrophobicContact CB-CB 4.41Å; L1975-V1983 HydrophobicContact CB-CG1 4.2Å; L1975-V1983 HydrophobicContact CD1-CG1 4.27Å; L1975-V1983 PolarHBondContact N-O 3.06Å; L1975-E1985 HydrophobicContact CD1-CB 4.43Å; L1975-E1985 HydrophobicContact CD2-CB 4.48Å; L1975-A1996 HydrophobicContact CD1-CB 3.84Å; L1975-F2046 HydrophobicContact CD1-CD2 3.79Å; L1975-F2046 HydrophobicContact CD1-CE2 3.75Å; L1975-F2046 HydrophobicContact CD2-CE2 3.98Å
1976G70Confident78.6Confident22 Ų2246.9 Ų46.923%0.22725%0.249CC..EExtended strand (participates in β ladder)trans-168.3152.1175.200000115.2L1974 V1983L1974-G1976 WeakPolarHBondContact CD1-O 3.39Å; G1976-V1983 PolarHBondContact N-O 3Å; G1976-V1983 PolarHBondContact O-N 3Å
1977D72.6Confident79.2Confident61 Ų6145.4 Ų45.433%0.32625%0.248SC..EExtended strand (participates in β ladder)trans-123.2126.2175.9-174.7-0.3000109.2A1871 R1874 L1974 V1982A1871-D1977 HydrophobicContact CB-CB 3.76Å; R1874-D1977 IonicContact CZ-OD2 2.64Å; R1874-D1977 IonicContact NH1-OD2 3.86Å; R1874-D1977 PolarHBondContact NH1-OD2 3.08Å; R1874-D1977 IonicContact NH2-OD2 2.65Å; L1974-D1977 HydrophobicContact CD2-CB 4.45Å; D1977-V1982 HydrophobicContact CB-CG1 4.2Å; D1977-V1982 WeakPolarHBondContact OD1-CG1 3.25Å
1978G61.5Low79.5Confident37 Ų3741.9 Ų41.938%0.38123%0.228SC..  trans-134.2166.4-177.300000112.4F1980 A1981G1978-F1980 PolarHBondContact O-N 3.37Å; G1978-A1981 PolarHBondContact N-O 3.49Å; G1978-A1981 PolarHBondContact O-N 3.04Å; G1978-A1981 VanDerWaalsContact O-N 3.14Å; G1978-A1981 VanDerWaalsContact O-O 3.11Å
1979N64.2Low79.7Confident140 Ų14041.2 Ų41.275%0.74923%0.228SC*.SBendtrans-46.2-36.4-170.6-73.9-47.9000114.9K2004N1979-K2004 WeakPolarHBondContact O-CD 3.22Å; N1979-K2004 PolarHBondContact O-NZ 2.57Å
1980F71.7Confident79.5Confident83 Ų8345.8 Ų45.836%0.36426%0.261SS..SBendtrans-112.9-16.1-175.9-53.4-69000114.7G1978 D2001 K2004G1978-F1980 PolarHBondContact O-N 3.37Å; F1980-D2001 PolarHBondContact O-N 3.32Å; F1980-K2004 HydrophobicContact CD1-CB 4.15Å
1981A80.3Confident79.6Confident15 Ų1544.8 Ų44.812%0.12426%0.262CS..EExtended strand (participates in β ladder)trans-151.8153.2-164.800000113.6G1978 K1998 V1999 I2000G1978-A1981 PolarHBondContact N-O 3.49Å; G1978-A1981 PolarHBondContact O-N 3.04Å; G1978-A1981 VanDerWaalsContact O-N 3.14Å; G1978-A1981 VanDerWaalsContact O-O 3.11Å; A1981-K1998 HydrophobicContact CB-CG 4.01Å; A1981-V1999 CarbonylContact C-O 3.6Å; A1981-V1999 WeakPolarHBondContact CA-O 3.26Å; A1981-I2000 HydrophobicContact CB-CB 4.25Å; A1981-I2000 HydrophobicContact CB-CG1 3.79Å; A1981-I2000 HydrophobicContact CB-CG2 4.47Å
1982V83.2Confident79.7Confident20 Ų2047.4 Ų47.412%0.12129%0.29CS..EExtended strand (participates in β ladder)trans-120.8137.8171.1-680000110.2I1934 L1974 D1977 K1998 V1999I1934-V1982 HydrophobicContact CD1-CB 4.18Å; I1934-V1982 HydrophobicContact CD1-CG1 4.43Å; I1934-V1982 HydrophobicContact CD1-CG2 4.28Å; L1974-V1982 HydrophobicContact CD1-CB 4.15Å; D1977-V1982 HydrophobicContact CB-CG1 4.2Å; D1977-V1982 WeakPolarHBondContact OD1-CG1 3.25Å; V1982-K1998 CarbonylContact O-C 3.54Å; V1982-V1999 HydrophobicContact CG2-CB 4.05Å; V1982-V1999 PolarHBondContact N-O 3.4Å; V1982-V1999 PolarHBondContact O-N 2.99Å
1983V86.8Confident80Confident35 Ų3552.4 Ų52.421%0.21231%0.308CS..EExtended strand (participates in β ladder)trans-108107.1-177.1-172.60000109.8L1974 L1975 G1976 A1996 V1997 K1998L1974-V1983 VanDerWaalsContact CD1-O 3.24Å; L1974-V1983 WeakPolarHBondContact CD1-O 3.25Å; L1975-V1983 HydrophobicContact CB-CB 4.41Å; L1975-V1983 HydrophobicContact CB-CG1 4.2Å; L1975-V1983 HydrophobicContact CD1-CG1 4.27Å; L1975-V1983 PolarHBondContact N-O 3.06Å; G1976-V1983 PolarHBondContact N-O 3Å; G1976-V1983 PolarHBondContact O-N 3Å; V1983-A1996 HydrophobicContact CG1-CB 4.14Å; V1983-V1997 WeakPolarHBondContact CA-O 3.5Å; V1983-K1998 HydrophobicContact CG2-CB 4.04Å; V1983-K1998 HydrophobicContact CG2-CG 4.01Å
1984H87.8Confident80.6Confident0 Ų053.3 Ų53.30%031%0.313CS..EExtended strand (participates in β ladder)trans-91.3162.1172.9-63.6-116.5000110.4L1933 I1934 W1971 P1973 A1996 V1997L1933-H1984 WeakPolarHBondContact CD1-ND1 3.42Å; I1934-H1984 WeakPolarHBondContact CD1-CE1 3.46Å; I1934-H1984 VanDerWaalsContact CD1-NE2 3.34Å; I1934-H1984 WeakPolarHBondContact CD1-NE2 3.45Å; W1971-H1984 HydrophobicContact CE3-CB 3.68Å; W1971-H1984 AromaticContact CE3-CG 3.61Å; W1971-H1984 AromaticContact CE3-ND1 3.63Å; W1971-H1984 HydrophobicContact CZ3-CB 3.82Å; W1971-H1984 AromaticContact CZ3-CD2 3.8Å; W1971-H1984 AromaticContact CZ3-CG 3.67Å; P1973-H1984 CarbonylContact O-C 3.56Å; P1973-H1984 VanDerWaalsContact O-C 3.28Å; P1973-H1984 VanDerWaalsContact O-CA 3.32Å; P1973-H1984 WeakPolarHBondContact O-CA 3.35Å; H1984-A1996 CarbonylContact O-C 3.4Å; H1984-A1996 VanDerWaalsContact O-CA 3.24Å; H1984-A1996 WeakPolarHBondContact O-CA 3.2Å; H1984-V1997 PolarHBondContact N-O 2.93Å; H1984-V1997 PolarHBondContact O-N 2.86Å
1985E89.3Confident81.2Confident34 Ų3453.3 Ų53.316%0.15931%0.313CS..EExtended strand (participates in β ladder)trans-83.1157.2153.9-169.4-170.7112.500108G1972 P1973 L1975 T1994 Y1995 F2046G1972-E1985 CarbonylContact C-O 3.22Å; G1972-E1985 WeakPolarHBondContact CA-O 3.28Å; G1972-E1985 PolarHBondContact N-O 2.98Å; G1972-E1985 CarbonylContact O-C 3.58Å; G1972-E1985 PolarHBondContact O-N 3.43Å; P1973-E1985 HydrophobicContact CB-CB 3.74Å; P1973-E1985 HydrophobicContact CG-CB 3.85Å; P1973-E1985 HydrophobicContact CG-CG 4.34Å; P1973-E1985 WeakPolarHBondContact CG-OE2 3.42Å; P1973-E1985 PolarHBondContact O-N 3.34Å; L1975-E1985 HydrophobicContact CD1-CB 4.43Å; L1975-E1985 HydrophobicContact CD2-CB 4.48Å; E1985-T1994 VanDerWaalsContact CD-CG2 3.42Å; E1985-T1994 HydrophobicContact CG-CG2 3.28Å; E1985-T1994 WeakPolarHBondContact OE1-CG2 3.42Å; E1985-Y1995 CarbonylContact C-O 3.58Å; E1985-Y1995 VanDerWaalsContact CA-O 3.28Å; E1985-Y1995 WeakPolarHBondContact CA-O 3.45Å; E1985-F2046 HydrophobicContact CB-CE2 4.45Å; E1985-F2046 HydrophobicContact CG-CD2 3.94Å; E1985-F2046 HydrophobicContact CG-CE2 3.97Å; E1985-F2046 HydrophobicContact CG-CG 4.28Å; E1985-F2046 HydrophobicContact CG-CZ 4.32Å; E1985-F2046 VanDerWaalsContact OE2-CE2 3.31Å; E1985-F2046 WeakPolarHBondContact OE2-CE2 3.43Å; E1985-F2046 WeakPolarHBondContact OE2-CZ 3.4Å
1986C86.6Confident81.7Confident0 Ų050.3 Ų50.30%030%0.298CS..EExtended strand (participates in β ladder)trans-151.4156.2162.177.70000111.3F1969 E1970 T1994 Y1995 V1997F1969-C1986 HydrophobicContact CB-CB 4.03Å; F1969-C1986 HydrophobicContact CD1-CB 4.36Å; F1969-C1986 WeakPolarHBondContact CD1-SG 3.29Å; E1970-C1986 CarbonylContact O-C 3.58Å; E1970-C1986 WeakPolarHBondContact O-CA 3.35Å; E1970-C1986 VanDerWaalsContact O-CB 3.25Å; E1970-C1986 WeakPolarHBondContact O-CB 3.3Å; C1986-T1994 CarbonylContact O-C 3.48Å; C1986-T1994 VanDerWaalsContact O-CA 3.28Å; C1986-T1994 WeakPolarHBondContact O-CA 3.4Å; C1986-Y1995 PolarHBondContact N-O 2.82Å; C1986-Y1995 PolarHBondContact O-N 3.19Å; C1986-V1997 HydrophobicContact CB-CG2 4.06Å; C1986-V1997 WeakPolarHBondContact SG-CG2 3.17Å
1987V88.2Confident82.6Confident42 Ų4249.2 Ų49.226%0.25529%0.287SS..EExtended strand (participates in β ladder)trans-101.2123.1164.5-176.70000107.7E1970 K1989 K1993E1970-V1987 HydrophobicContact CB-CB 4.41Å; E1970-V1987 PolarHBondContact N-O 3.12Å; E1970-V1987 PolarHBondContact O-N 2.74Å; V1987-K1989 PolarHBondContact O-N 2.59Å; V1987-K1993 WeakPolarHBondContact CA-O 3.45Å
1988H84.3Confident83.4Confident35 Ų3547.3 Ų47.316%0.16228%0.276CS..EExtended strand (participates in β ladder)trans-75.7115.6176.6177.9-115.2000109.6R1968 F1969 S1990 T1991 G1992 K1993 Y1995R1968-H1988 PolarHBondContact O-CD2 3.05Å; F1969-H1988 HydrophobicContact CD1-CB 3.99Å; F1969-H1988 AromaticContact CD1-CD2 3.83Å; F1969-H1988 HydrophobicContact CE1-CB 4Å; F1969-H1988 AromaticContact CE1-CD2 3.45Å; F1969-H1988 VanDerWaalsContact CE1-CD2 3.45Å; F1969-H1988 WeakPolarHBondContact CE1-CD2 3.34Å; H1988-S1990 PolarHBondContact CE1-OG 2.9Å; H1988-S1990 PolarHBondContact O-N 2.76Å; H1988-S1990 VanDerWaalsContact O-N 3.07Å; H1988-T1991 PolarHBondContact ND1-OG1 3.25Å; H1988-T1991 PolarHBondContact O-N 2.92Å; H1988-G1992 PolarHBondContact O-N 2.79Å; H1988-K1993 PolarHBondContact N-O 2.79Å; H1988-Y1995 HydrophobicContact CB-CD2 3.91Å; H1988-Y1995 HydrophobicContact CB-CE2 3.61Å
1989K82.4Confident84.6Confident114 Ų11445.7 Ų45.750%0.49626%0.258SS..THydrogen-bonded Turntrans-62.4-25.5-160.4-76.2174.9165.3179.50115R1966 D1967 R1968 E1970 V1987R1966-K1989 PolarHBondContact O-NZ 2.58Å; D1967-K1989 WeakPolarHBondContact O-CD 3.28Å; R1968-K1989 PolarHBondContact O-N 2.74Å; E1970-K1989 HydrophobicContact CB-CG 4.26Å; V1987-K1989 PolarHBondContact O-N 2.59Å
1990S79.9Confident85.6Confident100 Ų10039.3 Ų39.370%0.69922%0.224SC*.THydrogen-bonded Turntrans-95.5-10179.158.90000114.7H1988H1988-S1990 PolarHBondContact CE1-OG 2.9Å; H1988-S1990 PolarHBondContact O-N 2.76Å; H1988-S1990 VanDerWaalsContact O-N 3.07Å
1991T83.3Confident86.1Confident81 Ų8136.7 Ų36.750%0.49721%0.214SC..THydrogen-bonded Turntrans-116.8-13.3176.258.90000113.9H1988 K1993H1988-T1991 PolarHBondContact ND1-OG1 3.25Å; H1988-T1991 PolarHBondContact O-N 2.92Å; T1991-K1993 PolarHBondContact O-N 3.45Å; T1991-K1993 VanDerWaalsContact O-N 3.08Å
1992G83.7Confident86Confident57 Ų5738.1 Ų38.159%0.58822%0.217SC*.  trans66.34.7-178.300000114.6H1988H1988-G1992 PolarHBondContact O-N 2.79Å
1993K86.5Confident85.7Confident117 Ų11743.5 Ų43.551%0.50924%0.235SC..  trans-88.3141.9-179-179.2167.6178.9174.20110.9V1987 H1988 T1991 Y1995V1987-K1993 WeakPolarHBondContact CA-O 3.45Å; H1988-K1993 PolarHBondContact N-O 2.79Å; T1991-K1993 PolarHBondContact O-N 3.45Å; T1991-K1993 VanDerWaalsContact O-N 3.08Å; K1993-Y1995 HydrophobicContact CB-CE2 3.72Å; K1993-Y1995 HydrophobicContact CD-CE1 4.39Å; K1993-Y1995 HydrophobicContact CD-CE2 4.43Å; K1993-Y1995 HydrophobicContact CG-CD2 4.5Å; K1993-Y1995 HydrophobicContact CG-CE1 4.49Å; K1993-Y1995 HydrophobicContact CG-CE2 3.83Å; K1993-Y1995 WeakPolarHBondContact O-CD2 3.26Å; K1993-Y1995 WeakPolarHBondContact O-CE2 3.43Å
1994T89.8Confident84.9Confident46 Ų4647.1 Ų47.128%0.28225%0.248SC..EExtended strand (participates in β ladder)trans-84.5140.2176.4-45.70000111.8E1985 C1986 F2046E1985-T1994 VanDerWaalsContact CD-CG2 3.42Å; E1985-T1994 HydrophobicContact CG-CG2 3.28Å; E1985-T1994 WeakPolarHBondContact OE1-CG2 3.42Å; C1986-T1994 CarbonylContact O-C 3.48Å; C1986-T1994 VanDerWaalsContact O-CA 3.28Å; C1986-T1994 WeakPolarHBondContact O-CA 3.4Å; T1994-F2046 HydrophobicContact CG2-CB 3.99Å; T1994-F2046 HydrophobicContact CG2-CD1 3.56Å; T1994-F2046 HydrophobicContact CG2-CE1 4.14Å; T1994-F2046 HydrophobicContact CG2-CG 3.79Å
1995Y91.4Very high83.8Confident9 Ų947.4 Ų47.44%0.03525%0.251CS..EExtended strand (participates in β ladder)trans-140.5161.3-177.6-63.2-87.9000110.6E1985 C1986 H1988 K1993 H2031 V2043 L2044E1985-Y1995 CarbonylContact C-O 3.58Å; E1985-Y1995 VanDerWaalsContact CA-O 3.28Å; E1985-Y1995 WeakPolarHBondContact CA-O 3.45Å; C1986-Y1995 PolarHBondContact N-O 2.82Å; C1986-Y1995 PolarHBondContact O-N 3.19Å; H1988-Y1995 HydrophobicContact CB-CD2 3.91Å; H1988-Y1995 HydrophobicContact CB-CE2 3.61Å; K1993-Y1995 HydrophobicContact CB-CE2 3.72Å; K1993-Y1995 HydrophobicContact CD-CE1 4.39Å; K1993-Y1995 HydrophobicContact CD-CE2 4.43Å; K1993-Y1995 HydrophobicContact CG-CD2 4.5Å; K1993-Y1995 HydrophobicContact CG-CE1 4.49Å; K1993-Y1995 HydrophobicContact CG-CE2 3.83Å; K1993-Y1995 WeakPolarHBondContact O-CD2 3.26Å; K1993-Y1995 WeakPolarHBondContact O-CE2 3.43Å; Y1995-H2031 HydrophobicContact CD1-CB 3.98Å; Y1995-H2031 HydrophobicContact CE1-CB 3.69Å; Y1995-H2031 AromaticContact CE1-CD2 3.39Å; Y1995-H2031 WeakPolarHBondContact CE1-CD2 3.04Å; Y1995-H2031 AromaticContact CE1-CE1 3.96Å; Y1995-H2031 AromaticContact CE1-CG 3.32Å; Y1995-H2031 AromaticContact CE1-ND1 3.7Å; Y1995-H2031 AromaticContact CE1-NE2 3.77Å; Y1995-H2031 AromaticContact CZ-CD2 3.77Å; Y1995-H2031 AromaticContact CZ-CE1 3.72Å; Y1995-H2031 AromaticContact CZ-CG 3.91Å; Y1995-H2031 AromaticContact CZ-ND1 3.89Å; Y1995-H2031 AromaticContact CZ-NE2 3.62Å; Y1995-H2031 PolarHBondContact OH-CD2 3.35Å; Y1995-H2031 PolarHBondContact OH-CE1 2.84Å; Y1995-H2031 VanDerWaalsContact OH-CE1 3.27Å; Y1995-H2031 PolarHBondContact OH-NE2 3.06Å; Y1995-V2043 HydrophobicContact CD1-CG1 3.95Å; Y1995-V2043 HydrophobicContact CG-CG1 3.83Å; Y1995-L2044 CarbonylContact C-O 2.94Å; Y1995-L2044 VanDerWaalsContact CA-O 3.26Å; Y1995-L2044 WeakPolarHBondContact CA-O 3.31Å; Y1995-L2044 VanDerWaalsContact CB-O 3.24Å; Y1995-L2044 WeakPolarHBondContact CB-O 3.01Å; Y1995-L2044 WeakPolarHBondContact CD1-O 3.45Å
1996A91.7Very high82.5Confident8 Ų854 Ų547%0.06627%0.274CS..EExtended strand (participates in β ladder)trans-106.6115.8171.400000110.4L1975 V1983 H1984 L2044L1975-A1996 HydrophobicContact CD1-CB 3.84Å; V1983-A1996 HydrophobicContact CG1-CB 4.14Å; H1984-A1996 CarbonylContact O-C 3.4Å; H1984-A1996 VanDerWaalsContact O-CA 3.24Å; H1984-A1996 WeakPolarHBondContact O-CA 3.2Å; A1996-L2044 HydrophobicContact CB-CB 4.36Å; A1996-L2044 PolarHBondContact N-O 3.01Å; A1996-L2044 WeakPolarHBondContact O-CA 3.42Å; A1996-L2044 WeakPolarHBondContact O-CB 2.95Å; A1996-L2044 PolarHBondContact O-N 2.94Å
1997V89.3Confident81Confident0 Ų059.6 Ų59.60%030%0.304CS..EExtended strand (participates in β ladder)trans-100.7104.5-176.7-174.10000111.5W1971 V1983 H1984 C1986 V1999 L2041 L2042 V2043W1971-V1997 HydrophobicContact CH2-CB 4.32Å; W1971-V1997 HydrophobicContact CH2-CG1 3.78Å; W1971-V1997 HydrophobicContact CZ3-CB 4.21Å; W1971-V1997 HydrophobicContact CZ3-CG1 4.1Å; V1983-V1997 WeakPolarHBondContact CA-O 3.5Å; H1984-V1997 PolarHBondContact N-O 2.93Å; H1984-V1997 PolarHBondContact O-N 2.86Å; C1986-V1997 HydrophobicContact CB-CG2 4.06Å; C1986-V1997 WeakPolarHBondContact SG-CG2 3.17Å; V1997-V1999 HydrophobicContact CG1-CG2 3.97Å; V1997-V1999 PolarHBondContact O-N 2.88Å; V1997-L2041 HydrophobicContact CG1-CB 4.16Å; V1997-L2041 HydrophobicContact CG1-CD2 3.84Å; V1997-L2041 HydrophobicContact CG1-CG 4.35Å; V1997-L2042 CarbonylContact C-O 3.56Å; V1997-L2042 VanDerWaalsContact CA-O 3.29Å; V1997-L2042 WeakPolarHBondContact CA-O 3.43Å; V1997-V2043 HydrophobicContact CG2-CG1 4.32Å; V1997-V2043 HydrophobicContact CG2-CG2 4.26Å
1998K90.2Very high79.8Confident20 Ų2062.3 Ų62.39%0.08731%0.312CS..EExtended strand (participates in β ladder)trans-81.8102.6173-177.7174.6173.7-167.60109.7A1981 V1982 V1983 I2000 E2015 L2041 L2042 L2044 D2112A1981-K1998 HydrophobicContact CB-CG 4.01Å; V1982-K1998 CarbonylContact O-C 3.54Å; V1983-K1998 HydrophobicContact CG2-CB 4.04Å; V1983-K1998 HydrophobicContact CG2-CG 4.01Å; K1998-I2000 HydrophobicContact CG-CG1 4.24Å; K1998-E2015 IonicContact NZ-OE1 3.7Å; K1998-E2015 PolarHBondContact NZ-OE1 3.26Å; K1998-E2015 IonicContact NZ-OE2 2.64Å; K1998-E2015 PolarHBondContact NZ-OE2 3.26Å; K1998-L2041 WeakPolarHBondContact O-CA 3.13Å; K1998-L2042 HydrophobicContact CB-CB 4.29Å; K1998-L2042 HydrophobicContact CD-CD1 4.41Å; K1998-L2042 PolarHBondContact N-O 3.38Å; K1998-L2042 PolarHBondContact O-N 3.49Å; K1998-L2044 HydrophobicContact CB-CD1 4.27Å; K1998-D2112 IonicContact NZ-OD1 3.23Å; K1998-D2112 PolarHBondContact NZ-OD1 2.93Å
1999V86.7Confident79.2Confident4 Ų464.6 Ų64.62%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-92.8110.2179.5-171.70000109.9W1960 L1961 W1971 A1981 V1982 V1997 L2039 L2041W1960-V1999 HydrophobicContact CH2-CG1 3.86Å; W1960-V1999 HydrophobicContact CZ3-CG1 3.97Å; L1961-V1999 HydrophobicContact CD2-CG1 4.43Å; W1971-V1999 HydrophobicContact CH2-CG2 3.77Å; W1971-V1999 HydrophobicContact CZ3-CG2 3.78Å; A1981-V1999 CarbonylContact C-O 3.6Å; A1981-V1999 WeakPolarHBondContact CA-O 3.26Å; V1982-V1999 HydrophobicContact CG2-CB 4.05Å; V1982-V1999 PolarHBondContact N-O 3.4Å; V1982-V1999 PolarHBondContact O-N 2.99Å; V1997-V1999 HydrophobicContact CG1-CG2 3.97Å; V1997-V1999 PolarHBondContact O-N 2.88Å; V1999-L2039 HydrophobicContact CG1-CD2 4.3Å; V1999-L2041 HydrophobicContact CB-CG 4.36Å; V1999-L2041 HydrophobicContact CG1-CD1 4.32Å; V1999-L2041 HydrophobicContact CG1-CG 4.07Å; V1999-L2041 HydrophobicContact CG2-CD2 3.97Å; V1999-L2041 HydrophobicContact CG2-CG 4.03Å
2000I85.6Confident78.8Confident6 Ų666.8 Ų66.83%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-101.3129.7-176.4-48.8166.8000109.5A1981 K1998 K2002 I2012 L2039 H2040 L2042A1981-I2000 HydrophobicContact CB-CB 4.25Å; A1981-I2000 HydrophobicContact CB-CG1 3.79Å; A1981-I2000 HydrophobicContact CB-CG2 4.47Å; K1998-I2000 HydrophobicContact CG-CG1 4.24Å; I2000-K2002 PolarHBondContact O-N 2.86Å; I2000-I2012 HydrophobicContact CB-CD1 4.42Å; I2000-I2012 HydrophobicContact CD1-CG1 4.28Å; I2000-I2012 HydrophobicContact CD1-CG2 3.88Å; I2000-I2012 HydrophobicContact CG2-CD1 3.68Å; I2000-I2012 HydrophobicContact CG2-CG1 4.1Å; I2000-L2039 CarbonylContact O-C 3.44Å; I2000-L2039 WeakPolarHBondContact O-CA 3.21Å; I2000-H2040 HydrophobicContact CB-CB 4.47Å; I2000-H2040 WeakPolarHBondContact CB-O 3.5Å; I2000-H2040 PolarHBondContact N-O 3.24Å; I2000-H2040 PolarHBondContact O-N 3.18Å; I2000-L2042 HydrophobicContact CD1-CD1 4.08Å; I2000-L2042 HydrophobicContact CD1-CG 4.22Å
2001D80.2Confident78.6Confident28 Ų2865.7 Ų65.715%0.1532%0.32CS..EExtended strand (participates in β ladder)trans-85.7106.5175.7-172.6-26.3000110.4F1980 R2003 K2004 C2005F1980-D2001 PolarHBondContact O-N 3.32Å; D2001-R2003 PolarHBondContact O-N 3Å; D2001-R2003 VanDerWaalsContact O-N 3.11Å; D2001-R2003 WeakPolarHBondContact OD1-CA 3.02Å; D2001-R2003 WeakPolarHBondContact OD1-CB 3.32Å; D2001-R2003 WeakPolarHBondContact OD1-CG 3.4Å; D2001-R2003 IonicContact OD1-CZ 3.16Å; D2001-R2003 PolarHBondContact OD1-N 2.93Å; D2001-R2003 IonicContact OD1-NE 2.74Å; D2001-R2003 PolarHBondContact OD1-NE 3.14Å; D2001-R2003 IonicContact OD1-NH2 3.88Å; D2001-R2003 IonicContact OD2-CZ 2.69Å; D2001-R2003 IonicContact OD2-NE 2.95Å; D2001-R2003 PolarHBondContact OD2-NE 2.92Å; D2001-R2003 IonicContact OD2-NH2 2.69Å; D2001-R2003 PolarHBondContact OD2-NH2 3.08Å; D2001-K2004 HydrophobicContact CB-CB 4.33Å; D2001-K2004 HydrophobicContact CB-CD 4.05Å; D2001-K2004 HydrophobicContact CB-CG 3.93Å; D2001-K2004 WeakPolarHBondContact O-CB 3.17Å; D2001-K2004 PolarHBondContact O-N 3.41Å; D2001-C2005 PolarHBondContact O-N 3.5Å
2002K79.9Confident78.5Confident44 Ų4462.1 Ų62.119%0.19130%0.298CS..THydrogen-bonded Turntrans-58.2-28.7-179-68.8-178.5171.4-179.70112.2I2000 K2004 C2005 R2006 I2012 S2035 L2036 D2038 L2039 H2040I2000-K2002 PolarHBondContact O-N 2.86Å; K2002-K2004 VanDerWaalsContact C-N 3.33Å; K2002-K2004 PolarHBondContact O-N 3.1Å; K2002-C2005 CarbonylContact O-C 2.77Å; K2002-C2005 WeakPolarHBondContact O-CA 3.35Å; K2002-C2005 PolarHBondContact O-N 3.05Å; K2002-C2005 VanDerWaalsContact O-N 3.09Å; K2002-R2006 PolarHBondContact O-N 2.97Å; K2002-R2006 VanDerWaalsContact O-N 3.12Å; K2002-I2012 HydrophobicContact CG-CD1 4.41Å; K2002-S2035 PolarHBondContact NZ-OG 3.06Å; K2002-L2036 WeakPolarHBondContact CE-O 3.4Å; K2002-L2036 PolarHBondContact NZ-O 3.03Å; K2002-D2038 WeakPolarHBondContact CB-O 3.34Å; K2002-D2038 PolarHBondContact N-O 2.8Å; K2002-L2039 WeakPolarHBondContact CE-O 3.36Å; K2002-H2040 HydrophobicContact CG-CB 4.41Å
2003R75.8Confident78.5Confident133 Ų13365.4 Ų65.450%0.50230%0.298SS..THydrogen-bonded Turntrans-70.1-31.4-180-50.6165-66.2-162.45.9111.4D2001 D2038D2001-R2003 PolarHBondContact O-N 3Å; D2001-R2003 VanDerWaalsContact O-N 3.11Å; D2001-R2003 WeakPolarHBondContact OD1-CA 3.02Å; D2001-R2003 WeakPolarHBondContact OD1-CB 3.32Å; D2001-R2003 WeakPolarHBondContact OD1-CG 3.4Å; D2001-R2003 IonicContact OD1-CZ 3.16Å; D2001-R2003 PolarHBondContact OD1-N 2.93Å; D2001-R2003 IonicContact OD1-NE 2.74Å; D2001-R2003 PolarHBondContact OD1-NE 3.14Å; D2001-R2003 IonicContact OD1-NH2 3.88Å; D2001-R2003 IonicContact OD2-CZ 2.69Å; D2001-R2003 IonicContact OD2-NE 2.95Å; D2001-R2003 PolarHBondContact OD2-NE 2.92Å; D2001-R2003 IonicContact OD2-NH2 2.69Å; D2001-R2003 PolarHBondContact OD2-NH2 3.08Å; R2003-D2038 WeakPolarHBondContact CD-OD1 3.4Å; R2003-D2038 HydrophobicContact CG-CB 4.22Å
2004K70.8Confident78.4Confident111 Ų11161.7 Ų61.748%0.48328%0.284SS..THydrogen-bonded Turntrans-73.7-28.7169.5-61.9-175.3-179.4-178.50112.3N1979 F1980 D2001 K2002N1979-K2004 WeakPolarHBondContact O-CD 3.22Å; N1979-K2004 PolarHBondContact O-NZ 2.57Å; F1980-K2004 HydrophobicContact CD1-CB 4.15Å; D2001-K2004 HydrophobicContact CB-CB 4.33Å; D2001-K2004 HydrophobicContact CB-CD 4.05Å; D2001-K2004 HydrophobicContact CB-CG 3.93Å; D2001-K2004 WeakPolarHBondContact O-CB 3.17Å; D2001-K2004 PolarHBondContact O-N 3.41Å; K2002-K2004 VanDerWaalsContact C-N 3.33Å; K2002-K2004 PolarHBondContact O-N 3.1Å
2005C65.3Low78.3Confident7 Ų759.8 Ų59.85%0.04727%0.272CS..THydrogen-bonded Turntrans-92.412.6179.9-69.30000115D2001 K2002 N2007 K2008 E2009 I2012D2001-C2005 PolarHBondContact O-N 3.5Å; K2002-C2005 CarbonylContact O-C 2.77Å; K2002-C2005 WeakPolarHBondContact O-CA 3.35Å; K2002-C2005 PolarHBondContact O-N 3.05Å; K2002-C2005 VanDerWaalsContact O-N 3.09Å; C2005-N2007 PolarHBondContact O-N 3.13Å; C2005-K2008 CarbonylContact O-C 3.55Å; C2005-K2008 VanDerWaalsContact O-C 3.22Å; C2005-K2008 VanDerWaalsContact O-CA 3.23Å; C2005-K2008 WeakPolarHBondContact O-CA 3.4Å; C2005-K2008 WeakPolarHBondContact O-CB 3.34Å; C2005-K2008 PolarHBondContact O-N 2.96Å; C2005-E2009 PolarHBondContact O-N 2.8Å; C2005-E2009 VanDerWaalsContact O-N 3.13Å; C2005-I2012 HydrophobicContact CB-CD1 3.88Å
2006R61Low78.1Confident172 Ų17260.6 Ų60.665%0.64928%0.278SS*.THydrogen-bonded Turntrans-55.8133.9175.1-81-179.8166.4-175.5-4.1111.8K2002 K2008K2002-R2006 PolarHBondContact O-N 2.97Å; K2002-R2006 VanDerWaalsContact O-N 3.12Å; R2006-K2008 PolarHBondContact O-N 2.6Å
2007N55Low78Confident117 Ų11766.2 Ų66.263%0.62630%0.297SS*.THydrogen-bonded Turntrans6614.2-170.5-42-37.3000114.3T954 C2005T954-N2007 VanDerWaalsContact CB-OD1 3.28Å; T954-N2007 WeakPolarHBondContact CB-OD1 3.35Å; T954-N2007 WeakPolarHBondContact CG2-OD1 3.18Å; C2005-N2007 PolarHBondContact O-N 3.13Å
2008K62.9Low78.1Confident100 Ų10066.2 Ų66.244%0.43530%0.297SS..  trans-139.814176.9-67.8-175.4175.4-175.50112.1C2005 R2006 Q2010 I2011C2005-K2008 CarbonylContact O-C 3.55Å; C2005-K2008 VanDerWaalsContact O-C 3.22Å; C2005-K2008 VanDerWaalsContact O-CA 3.23Å; C2005-K2008 WeakPolarHBondContact O-CA 3.4Å; C2005-K2008 WeakPolarHBondContact O-CB 3.34Å; C2005-K2008 PolarHBondContact O-N 2.96Å; R2006-K2008 PolarHBondContact O-N 2.6Å; K2008-Q2010 PolarHBondContact O-N 2.92Å; K2008-Q2010 VanDerWaalsContact O-N 3.16Å; K2008-I2011 HydrophobicContact CB-CD1 3.98Å; K2008-I2011 HydrophobicContact CB-CG1 4.35Å; K2008-I2011 HydrophobicContact CD-CD1 4.1Å; K2008-I2011 HydrophobicContact CG-CD1 4.25Å; K2008-I2011 WeakPolarHBondContact O-CB 3.25Å; K2008-I2011 WeakPolarHBondContact O-CG1 3.35Å; K2008-I2011 PolarHBondContact O-N 2.67Å
2009E71.4Confident78.1Confident82 Ų8265.7 Ų65.738%0.38330%0.295SS..Hα-helixtrans-58.2-30.9-177.6-71.8109.1179.500112.6C2005 I2011 I2012 E2013C2005-E2009 PolarHBondContact O-N 2.8Å; C2005-E2009 VanDerWaalsContact O-N 3.13Å; E2009-I2011 PolarHBondContact O-N 3.46Å; E2009-I2011 VanDerWaalsContact O-N 3.09Å; E2009-I2012 WeakPolarHBondContact O-CB 3.17Å; E2009-I2012 PolarHBondContact O-N 2.83Å; E2009-E2013 PolarHBondContact O-N 2.76Å; E2009-E2013 VanDerWaalsContact O-N 3.14Å
2010Q74Confident78.2Confident161 Ų16168.6 Ų68.675%0.75232%0.316SS*.Hα-helixtrans-52.8-27.9171.7-69-179.4-20.200114.2K2008 N2014K2008-Q2010 PolarHBondContact O-N 2.92Å; K2008-Q2010 VanDerWaalsContact O-N 3.16Å; Q2010-N2014 VanDerWaalsContact O-CB 3.26Å; Q2010-N2014 WeakPolarHBondContact O-CB 3.32Å; Q2010-N2014 PolarHBondContact O-N 3.24Å
2011I76.7Confident78.3Confident76 Ų7673.2 Ų73.239%0.3933%0.333SS..Hα-helixtrans-66.6-40.9175.9-58.2-177.7000110.3K2008 E2009 N2014 E2015 G2114K2008-I2011 HydrophobicContact CB-CD1 3.98Å; K2008-I2011 HydrophobicContact CB-CG1 4.35Å; K2008-I2011 HydrophobicContact CD-CD1 4.1Å; K2008-I2011 HydrophobicContact CG-CD1 4.25Å; K2008-I2011 WeakPolarHBondContact O-CB 3.25Å; K2008-I2011 WeakPolarHBondContact O-CG1 3.35Å; K2008-I2011 PolarHBondContact O-N 2.67Å; E2009-I2011 PolarHBondContact O-N 3.46Å; E2009-I2011 VanDerWaalsContact O-N 3.09Å; I2011-N2014 PolarHBondContact O-N 2.73Å; I2011-E2015 WeakPolarHBondContact O-CB 3.02Å; I2011-E2015 PolarHBondContact O-N 3.16Å; I2011-G2114 WeakPolarHBondContact CG2-O 2.97Å
2012I81.3Confident78.7Confident7 Ų772 Ų724%0.03633%0.326CS..Hα-helixtrans-67.7-45.9177.9-51.8177.4000109.8I2000 K2002 C2005 E2009 N2014 E2015 V2016 H2040I2000-I2012 HydrophobicContact CB-CD1 4.42Å; I2000-I2012 HydrophobicContact CD1-CG1 4.28Å; I2000-I2012 HydrophobicContact CD1-CG2 3.88Å; I2000-I2012 HydrophobicContact CG2-CD1 3.68Å; I2000-I2012 HydrophobicContact CG2-CG1 4.1Å; K2002-I2012 HydrophobicContact CG-CD1 4.41Å; C2005-I2012 HydrophobicContact CB-CD1 3.88Å; E2009-I2012 WeakPolarHBondContact O-CB 3.17Å; E2009-I2012 PolarHBondContact O-N 2.83Å; I2012-N2014 VanDerWaalsContact C-N 3.29Å; I2012-N2014 PolarHBondContact O-N 3.09Å; I2012-E2015 PolarHBondContact O-N 3.44Å; I2012-V2016 WeakPolarHBondContact O-CG2 3.22Å; I2012-V2016 PolarHBondContact O-N 2.76Å; I2012-H2040 HydrophobicContact CG2-CB 3.85Å
2013E83.4Confident79.1Confident126 Ų12679.1 Ų79.159%0.58935%0.352SS*.Hα-helixtrans-62.6-36.9179.1-64.2174.8157.900111.8E2009 R2017E2009-E2013 PolarHBondContact O-N 2.76Å; E2009-E2013 VanDerWaalsContact O-N 3.14Å; E2013-R2017 VanDerWaalsContact O-CB 3.26Å; E2013-R2017 WeakPolarHBondContact O-CB 3.23Å; E2013-R2017 PolarHBondContact O-N 2.9Å
2014N83.4Confident79.8Confident39 Ų3974.6 Ų74.621%0.20934%0.336CS..Hα-helixtrans-70.5-44.5175.7-153.847.6000111.9Q2010 I2011 I2012 V2016 R2017 L2018 A2116 T2117Q2010-N2014 VanDerWaalsContact O-CB 3.26Å; Q2010-N2014 WeakPolarHBondContact O-CB 3.32Å; Q2010-N2014 PolarHBondContact O-N 3.24Å; I2011-N2014 PolarHBondContact O-N 2.73Å; I2012-N2014 VanDerWaalsContact C-N 3.29Å; I2012-N2014 PolarHBondContact O-N 3.09Å; N2014-V2016 VanDerWaalsContact C-N 3.31Å; N2014-V2016 PolarHBondContact O-N 3.27Å; N2014-R2017 PolarHBondContact O-N 2.91Å; N2014-R2017 VanDerWaalsContact O-N 3.13Å; N2014-L2018 WeakPolarHBondContact O-CD1 3Å; N2014-L2018 WeakPolarHBondContact O-CG 3.12Å; N2014-L2018 PolarHBondContact O-N 2.8Å; N2014-A2116 PolarHBondContact ND2-O 3.46Å; N2014-T2117 WeakPolarHBondContact ND2-CB 3.31Å; N2014-T2117 PolarHBondContact ND2-OG1 2.94Å
2015E87.5Confident80.8Confident6 Ų675.3 Ų75.33%0.02834%0.342CS..Hα-helixtrans-56.6-45175.8-175.8172.3-178.300111.4K1998 I2011 I2012 L2018 L2019 L2042 F2113 G2114K1998-E2015 IonicContact NZ-OE1 3.7Å; K1998-E2015 PolarHBondContact NZ-OE1 3.26Å; K1998-E2015 IonicContact NZ-OE2 2.64Å; K1998-E2015 PolarHBondContact NZ-OE2 3.26Å; I2011-E2015 WeakPolarHBondContact O-CB 3.02Å; I2011-E2015 PolarHBondContact O-N 3.16Å; I2012-E2015 PolarHBondContact O-N 3.44Å; E2015-L2018 PolarHBondContact O-N 2.95Å; E2015-L2019 HydrophobicContact CG-CD1 3.8Å; E2015-L2019 WeakPolarHBondContact O-CB 3.42Å; E2015-L2019 WeakPolarHBondContact O-CG 3.48Å; E2015-L2019 PolarHBondContact O-N 2.65Å; E2015-L2019 VanDerWaalsContact O-N 3.08Å; E2015-L2042 VanDerWaalsContact CD-CD1 3.41Å; E2015-L2042 HydrophobicContact CG-CD1 3.73Å; E2015-L2042 WeakPolarHBondContact OE1-CD1 3.21Å; E2015-F2113 HydrophobicContact CG-CB 4.08Å; E2015-G2114 VanDerWaalsContact OE2-CA 3.29Å; E2015-G2114 WeakPolarHBondContact OE2-CA 3.34Å
2016V88.6Confident82.1Confident26 Ų2676.4 Ų76.416%0.15835%0.345CS..Hα-helixtrans-61-48.6172.8175.40000111.8I2012 N2014 L2018 S2020 L2042I2012-V2016 WeakPolarHBondContact O-CG2 3.22Å; I2012-V2016 PolarHBondContact O-N 2.76Å; N2014-V2016 VanDerWaalsContact C-N 3.31Å; N2014-V2016 PolarHBondContact O-N 3.27Å; V2016-L2018 VanDerWaalsContact C-N 3.27Å; V2016-L2018 PolarHBondContact O-N 2.9Å; V2016-S2020 VanDerWaalsContact O-CB 3.25Å; V2016-S2020 WeakPolarHBondContact O-CB 2.89Å; V2016-S2020 PolarHBondContact O-N 3.01Å; V2016-S2020 PolarHBondContact O-OG 3.03Å; V2016-L2042 HydrophobicContact CG2-CD2 3.42Å; V2016-L2042 VanDerWaalsContact CG2-CD2 3.42Å
2017R90Very high83.7Confident126 Ų12668.2 Ų68.248%0.47531%0.314SS..Hα-helixtrans-59.4-34.5-178.4170-178.7167.9141.5-3.2112.9E2013 N2014 S2020 R2021 E2118E2013-R2017 VanDerWaalsContact O-CB 3.26Å; E2013-R2017 WeakPolarHBondContact O-CB 3.23Å; E2013-R2017 PolarHBondContact O-N 2.9Å; N2014-R2017 PolarHBondContact O-N 2.91Å; N2014-R2017 VanDerWaalsContact O-N 3.13Å; R2017-S2020 PolarHBondContact O-OG 3.21Å; R2017-R2021 VanDerWaalsContact O-CD 3.26Å; R2017-R2021 WeakPolarHBondContact O-CD 3.18Å; R2017-R2021 WeakPolarHBondContact O-CG 3.41Å; R2017-E2118 IonicContact CZ-OE2 3.79Å; R2017-E2118 IonicContact NE-OE2 3.19Å; R2017-E2118 PolarHBondContact NE-OE2 3.39Å; R2017-E2118 IonicContact NH2-OE2 2.67Å; R2017-E2118 PolarHBondContact NH2-OE2 3.1Å
2018L90.7Very high85.5Confident0 Ų063 Ų630%029%0.286CS..Hα-helixtrans-82.5-52.8-178.2-60.1160.4000110.8N2014 E2015 V2016 S2020 R2021 V2022 I2086 F2113 A2116 E2118N2014-L2018 WeakPolarHBondContact O-CD1 3Å; N2014-L2018 WeakPolarHBondContact O-CG 3.12Å; N2014-L2018 PolarHBondContact O-N 2.8Å; E2015-L2018 PolarHBondContact O-N 2.95Å; V2016-L2018 VanDerWaalsContact C-N 3.27Å; V2016-L2018 PolarHBondContact O-N 2.9Å; L2018-S2020 PolarHBondContact O-N 2.87Å; L2018-R2021 PolarHBondContact O-N 2.99Å; L2018-V2022 WeakPolarHBondContact O-CG2 3.26Å; L2018-V2022 PolarHBondContact O-N 2.78Å; L2018-I2086 HydrophobicContact CD2-CD1 3.85Å; L2018-I2086 HydrophobicContact CD2-CG1 3.86Å; L2018-I2086 HydrophobicContact CD2-CG2 4.09Å; L2018-F2113 HydrophobicContact CB-CD1 4.34Å; L2018-A2116 HydrophobicContact CD1-CB 3.76Å; L2018-A2116 VanDerWaalsContact CD1-O 3.25Å; L2018-A2116 WeakPolarHBondContact CD1-O 3.39Å; L2018-E2118 HydrophobicContact CD2-CB 4.05Å
2019L90Very high86.9Confident8 Ų860.8 Ų60.84%0.04228%0.277CS..Hα-helixtrans-64.5-27.7-177.8-71.8173.4000113.1E2015 R2021 L2030 L2044 F2113E2015-L2019 HydrophobicContact CG-CD1 3.8Å; E2015-L2019 WeakPolarHBondContact O-CB 3.42Å; E2015-L2019 WeakPolarHBondContact O-CG 3.48Å; E2015-L2019 PolarHBondContact O-N 2.65Å; E2015-L2019 VanDerWaalsContact O-N 3.08Å; L2019-R2021 VanDerWaalsContact C-N 3.27Å; L2019-R2021 PolarHBondContact O-N 2.85Å; L2019-L2030 HydrophobicContact CB-CB 3.64Å; L2019-L2030 HydrophobicContact CB-CD2 3.89Å; L2019-L2030 HydrophobicContact CB-CG 4.34Å; L2019-L2044 HydrophobicContact CD1-CD2 3.91Å; L2019-F2113 HydrophobicContact CD1-CB 4.15Å; L2019-F2113 HydrophobicContact CD2-CB 3.92Å; L2019-F2113 HydrophobicContact CD2-CD1 3.98Å; L2019-F2113 HydrophobicContact CD2-CD2 3.47Å; L2019-F2113 VanDerWaalsContact CD2-CD2 3.47Å; L2019-F2113 HydrophobicContact CD2-CE1 4.37Å; L2019-F2113 HydrophobicContact CD2-CE2 3.91Å; L2019-F2113 HydrophobicContact CD2-CG 3.51Å; L2019-F2113 HydrophobicContact CD2-CZ 4.33Å; L2019-F2113 HydrophobicContact CG-CB 3.83Å; L2019-F2113 HydrophobicContact CG-CD1 4.39Å; L2019-F2113 HydrophobicContact CG-CD2 4.34Å; L2019-F2113 HydrophobicContact CG-CG 3.95Å
2020S88.2Confident87.9Confident65 Ų6558.2 Ų58.246%0.45527%0.266SS..THydrogen-bonded Turntrans-73.5-15.8172.9560000114V2016 R2017 L2018V2016-S2020 VanDerWaalsContact O-CB 3.25Å; V2016-S2020 WeakPolarHBondContact O-CB 2.89Å; V2016-S2020 PolarHBondContact O-N 3.01Å; V2016-S2020 PolarHBondContact O-OG 3.03Å; R2017-S2020 PolarHBondContact O-OG 3.21Å; L2018-S2020 PolarHBondContact O-N 2.87Å
2021R87.4Confident88.6Confident104 Ų10455.6 Ų55.639%0.39225%0.254SS..THydrogen-bonded Turntrans-99.2-37.7177.2-71.4171.760.2-172.4-4.4112.8R2017 L2018 L2019 R2023 M2084 E2118R2017-R2021 VanDerWaalsContact O-CD 3.26Å; R2017-R2021 WeakPolarHBondContact O-CD 3.18Å; R2017-R2021 WeakPolarHBondContact O-CG 3.41Å; L2018-R2021 PolarHBondContact O-N 2.99Å; L2019-R2021 VanDerWaalsContact C-N 3.27Å; L2019-R2021 PolarHBondContact O-N 2.85Å; R2021-R2023 PolarHBondContact O-N 3.07Å; R2021-M2084 HydrophobicContact CB-CE 3.88Å; R2021-E2118 IonicContact CZ-OE1 2.69Å; R2021-E2118 IonicContact CZ-OE2 3.28Å; R2021-E2118 IonicContact NH1-OE1 2.61Å; R2021-E2118 PolarHBondContact NH1-OE1 2.79Å; R2021-E2118 IonicContact NH1-OE2 3.33Å; R2021-E2118 PolarHBondContact NH1-OE2 3.39Å; R2021-E2118 IonicContact NH2-OE1 2.75Å; R2021-E2118 PolarHBondContact NH2-OE1 2.8Å
2022V88.9Confident89.1Confident2 Ų254.9 Ų54.91%0.01225%0.251CS..  trans-72.6123.5-177.3173.80000110.8L2018 V2027 Q2029 L2081 M2084 I2086 F2113L2018-V2022 WeakPolarHBondContact O-CG2 3.26Å; L2018-V2022 PolarHBondContact O-N 2.78Å; V2022-V2027 HydrophobicContact CG1-CB 4.09Å; V2022-V2027 HydrophobicContact CG1-CG1 3.8Å; V2022-V2027 HydrophobicContact CG1-CG2 4.18Å; V2022-Q2029 PolarHBondContact O-OE1 2.88Å; V2022-L2081 HydrophobicContact CB-CD2 4.18Å; V2022-L2081 HydrophobicContact CG1-CD2 3.6Å; V2022-L2081 HydrophobicContact CG2-CD2 3.43Å; V2022-L2081 VanDerWaalsContact CG2-CD2 3.43Å; V2022-M2084 HydrophobicContact CG2-CE 4.37Å; V2022-M2084 HydrophobicContact CG2-SD 4.13Å; V2022-I2086 HydrophobicContact CG2-CD1 3.5Å; V2022-F2113 HydrophobicContact CG2-CE1 4.35Å
2023R88.4Confident89.4Confident194 Ų19456.7 Ų56.773%0.73226%0.264SS*.  trans-133.399.8175.6-69.2-172.5-179.5-177.5-0.1110.2R2021 H2080R2021-R2023 PolarHBondContact O-N 3.07Å; R2023-H2080 PolarHBondContact N-NE2 3.13Å; R2023-H2080 PolarHBondContact O-CE1 2.95Å; R2023-H2080 PolarHBondContact O-NE2 2.72Å
2024H91.4Very high89.5Confident37 Ų3751.9 Ų51.917%0.17124%0.242CC..  trans-151.1142.2-173.1-164.8-102.3000111.5Y2026 V2027 Q2029 S2076 A2077 H2080H2024-Y2026 VanDerWaalsContact C-N 3.34Å; H2024-Y2026 AromaticContact CE1-CD2 3.82Å; H2024-Y2026 PolarHBondContact ND1-N 3.01Å; H2024-Y2026 PolarHBondContact O-N 3.41Å; H2024-V2027 HydrophobicContact CB-CB 4.16Å; H2024-V2027 HydrophobicContact CB-CG2 3.98Å; H2024-V2027 PolarHBondContact O-N 3.3Å; H2024-V2027 VanDerWaalsContact O-N 3.16Å; H2024-V2027 VanDerWaalsContact O-O 3.1Å; H2024-Q2029 PolarHBondContact O-NE2 3.07Å; H2024-S2076 PolarHBondContact CE1-O 3.47Å; H2024-S2076 PolarHBondContact CE1-OG 3.34Å; H2024-S2076 PolarHBondContact NE2-OG 3.32Å; H2024-A2077 PolarHBondContact CE1-N 2.87Å; H2024-H2080 HydrophobicContact CB-CB 4.27Å; H2024-H2080 WeakPolarHBondContact CD2-CB 3Å; H2024-H2080 AromaticContact CD2-CG 3.43Å; H2024-H2080 VanDerWaalsContact CD2-CG 3.43Å; H2024-H2080 AromaticContact CD2-ND1 3.55Å; H2024-H2080 AromaticContact CG-CG 3.72Å
2025E90.4Very high89.5Confident127 Ų12753.6 Ų53.659%0.59326%0.257SS*.THydrogen-bonded Turntrans-55.7-47.8-178.2-177.3173-151.300112.1V2027 K2109E2025-V2027 VanDerWaalsContact C-N 3.29Å; E2025-V2027 PolarHBondContact O-N 3.44Å; E2025-K2109 PolarHBondContact O-NZ 3.46Å
2026Y93.8Very high89.2Confident29 Ų2955.3 Ų55.311%0.11427%0.267CS..THydrogen-bonded Turntrans-88.924.4-179.2-54.2-54.3000114H2024 N2073 A2077 Y2107 I2108 K2109 L2110H2024-Y2026 VanDerWaalsContact C-N 3.34Å; H2024-Y2026 AromaticContact CE1-CD2 3.82Å; H2024-Y2026 PolarHBondContact ND1-N 3.01Å; H2024-Y2026 PolarHBondContact O-N 3.41Å; Y2026-N2073 WeakPolarHBondContact CB-O 3.24Å; Y2026-N2073 HydrophobicContact CD1-CB 3.72Å; Y2026-N2073 HydrophobicContact CD2-CB 4.12Å; Y2026-N2073 HydrophobicContact CE1-CB 4.02Å; Y2026-N2073 HydrophobicContact CE2-CB 4.41Å; Y2026-N2073 HydrophobicContact CG-CB 3.79Å; Y2026-A2077 WeakPolarHBondContact O-CB 3.26Å; Y2026-Y2107 AromaticContact CE1-CD1 3.68Å; Y2026-Y2107 HydrophobicContact CE1-CD1 3.68Å; Y2026-Y2107 HydrophobicContact CE1-CG 4.36Å; Y2026-I2108 WeakPolarHBondContact CB-O 3.45Å; Y2026-I2108 WeakPolarHBondContact CD1-O 3.47Å; Y2026-K2109 WeakPolarHBondContact O-CA 3.28Å; Y2026-L2110 PolarHBondContact O-N 2.65Å
2027V93.3Very high88.6Confident0 Ų063 Ų630%030%0.298CS..BIsolated β-bridgetrans-130.5130.9170.8178.30000110.2V2022 H2024 E2025 Q2029 A2077 L2110 F2113V2022-V2027 HydrophobicContact CG1-CB 4.09Å; V2022-V2027 HydrophobicContact CG1-CG1 3.8Å; V2022-V2027 HydrophobicContact CG1-CG2 4.18Å; H2024-V2027 HydrophobicContact CB-CB 4.16Å; H2024-V2027 HydrophobicContact CB-CG2 3.98Å; H2024-V2027 PolarHBondContact O-N 3.3Å; H2024-V2027 VanDerWaalsContact O-N 3.16Å; H2024-V2027 VanDerWaalsContact O-O 3.1Å; E2025-V2027 VanDerWaalsContact C-N 3.29Å; E2025-V2027 PolarHBondContact O-N 3.44Å; V2027-Q2029 PolarHBondContact O-N 2.82Å; V2027-Q2029 VanDerWaalsContact O-N 3.12Å; V2027-Q2029 PolarHBondContact O-NE2 3.33Å; V2027-A2077 HydrophobicContact CG2-CB 3.93Å; V2027-L2110 HydrophobicContact CG2-CB 4.48Å; V2027-F2113 HydrophobicContact CG1-CE2 3.62Å; V2027-F2113 HydrophobicContact CG1-CZ 3.5Å
2028V93.5Very high88Confident8 Ų860 Ų605%0.04829%0.291CS..  trans-57.5114.8176172.90000110.6L2044 E2045 V2047 L2097 K2109 L2110 A2111V2028-L2044 HydrophobicContact CG1-CB 3.84Å; V2028-E2045 HydrophobicContact CG1-CB 4.14Å; V2028-V2047 HydrophobicContact CG2-CG2 4.02Å; V2028-L2097 HydrophobicContact CG2-CD1 4.01Å; V2028-K2109 HydrophobicContact CG2-CB 4.05Å; V2028-L2110 PolarHBondContact N-O 3.04Å; V2028-A2111 HydrophobicContact CB-CB 4.3Å; V2028-A2111 HydrophobicContact CG2-CB 3.75Å
2029Q92.3Very high87.7Confident53 Ų5360.6 Ų60.625%0.24830%0.295CS..  trans-77.7138.5-173.7-63.7-63.3-73.500112.7V2022 H2024 V2027 L2044 E2045V2022-Q2029 PolarHBondContact O-OE1 2.88Å; H2024-Q2029 PolarHBondContact O-NE2 3.07Å; V2027-Q2029 PolarHBondContact O-N 2.82Å; V2027-Q2029 VanDerWaalsContact O-N 3.12Å; V2027-Q2029 PolarHBondContact O-NE2 3.33Å; Q2029-L2044 CarbonylContact O-C 3.59Å; Q2029-L2044 VanDerWaalsContact O-CA 3.3Å; Q2029-L2044 WeakPolarHBondContact O-CA 3.26Å; Q2029-E2045 HydrophobicContact CB-CB 4.3Å; Q2029-E2045 PolarHBondContact N-OE2 3.16Å; Q2029-E2045 PolarHBondContact O-N 2.71Å
2030L92.2Very high87.5Confident28 Ų2861.1 Ų61.115%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-84.9124.6167.417576.1000110.1L2019 D2032 L2042 L2044L2019-L2030 HydrophobicContact CB-CB 3.64Å; L2019-L2030 HydrophobicContact CB-CD2 3.89Å; L2019-L2030 HydrophobicContact CB-CG 4.34Å; L2030-D2032 VanDerWaalsContact CD1-O 3.26Å; L2030-D2032 WeakPolarHBondContact CD1-O 3.4Å; L2030-L2042 HydrophobicContact CD1-CB 3.92Å; L2030-L2042 HydrophobicContact CD1-CD2 4.4Å; L2030-L2044 HydrophobicContact CB-CD2 4.12Å; L2030-L2044 HydrophobicContact CD1-CD2 3.71Å
2031H89.4Confident87.5Confident106 Ų10658 Ų5849%0.49128%0.275SS..EExtended strand (participates in β ladder)trans-97.8-39.6-179.2-176.3-93.3000113Y1995 V2043Y1995-H2031 HydrophobicContact CD1-CB 3.98Å; Y1995-H2031 HydrophobicContact CE1-CB 3.69Å; Y1995-H2031 AromaticContact CE1-CD2 3.39Å; Y1995-H2031 WeakPolarHBondContact CE1-CD2 3.04Å; Y1995-H2031 AromaticContact CE1-CE1 3.96Å; Y1995-H2031 AromaticContact CE1-CG 3.32Å; Y1995-H2031 AromaticContact CE1-ND1 3.7Å; Y1995-H2031 AromaticContact CE1-NE2 3.77Å; Y1995-H2031 AromaticContact CZ-CD2 3.77Å; Y1995-H2031 AromaticContact CZ-CE1 3.72Å; Y1995-H2031 AromaticContact CZ-CG 3.91Å; Y1995-H2031 AromaticContact CZ-ND1 3.89Å; Y1995-H2031 AromaticContact CZ-NE2 3.62Å; Y1995-H2031 PolarHBondContact OH-CD2 3.35Å; Y1995-H2031 PolarHBondContact OH-CE1 2.84Å; Y1995-H2031 VanDerWaalsContact OH-CE1 3.27Å; Y1995-H2031 PolarHBondContact OH-NE2 3.06Å; H2031-V2043 HydrophobicContact CB-CG1 4.36Å; H2031-V2043 WeakPolarHBondContact CB-O 3.16Å; H2031-V2043 PolarHBondContact N-O 3.3Å
2032D86.3Confident87.6Confident61 Ų6153.1 Ų53.133%0.32626%0.256SS..EExtended strand (participates in β ladder)trans-155.1154.6178.7-17113.8000110.6L2030 I2034 V2043L2030-D2032 VanDerWaalsContact CD1-O 3.26Å; L2030-D2032 WeakPolarHBondContact CD1-O 3.4Å; D2032-I2034 WeakPolarHBondContact OD2-CG1 3.26Å; D2032-V2043 HydrophobicContact CB-CB 4.04Å; D2032-V2043 HydrophobicContact CB-CG2 4.06Å; D2032-V2043 PolarHBondContact N-O 3.5Å; D2032-V2043 PolarHBondContact O-N 3.46Å
2033S88.1Confident87.7Confident46 Ų4653 Ų5332%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-134.3106.5177.963.20000111.1L2041S2033-L2041 CarbonylContact C-O 3.46Å; S2033-L2041 WeakPolarHBondContact CA-O 3.26Å
2034I85.8Confident87.9Confident24 Ų2444.6 Ų44.612%0.12323%0.225CC..EExtended strand (participates in β ladder)trans-104.5102-172-50.8175.9000110L1965 F1969 D2032 L2036 L2041L1965-I2034 HydrophobicContact CD2-CD1 3.65Å; L1965-I2034 HydrophobicContact CD2-CG2 4.16Å; F1969-I2034 HydrophobicContact CE2-CD1 3.74Å; F1969-I2034 HydrophobicContact CZ-CD1 4.18Å; D2032-I2034 WeakPolarHBondContact OD2-CG1 3.26Å; I2034-L2036 HydrophobicContact CG2-CD2 4.22Å; I2034-L2036 HydrophobicContact CG2-CG 4.25Å; I2034-L2041 HydrophobicContact CB-CB 4.32Å; I2034-L2041 PolarHBondContact N-O 2.89Å; I2034-L2041 PolarHBondContact O-N 2.92Å
2035S84.2Confident88Confident75 Ų7545 Ų4552%0.52423%0.227SC..EExtended strand (participates in β ladder)trans-86.8109.9178.3-165.90000110.6K2002 H2040K2002-S2035 PolarHBondContact NZ-OG 3.06Å; S2035-H2040 PolarHBondContact OG-ND1 3.23Å
2036L81.4Confident88Confident43 Ų4341.3 Ų41.323%0.22521%0.209CC..  trans-104.9-179.8177-63.6175.2000111.1P1962 L1965 K2002 I2034 L2039 L2041P1962-L2036 HydrophobicContact CG-CD1 3.94Å; L1965-L2036 HydrophobicContact CD1-CD1 3.53Å; L1965-L2036 HydrophobicContact CG-CD1 4.19Å; K2002-L2036 WeakPolarHBondContact CE-O 3.4Å; K2002-L2036 PolarHBondContact NZ-O 3.03Å; I2034-L2036 HydrophobicContact CG2-CD2 4.22Å; I2034-L2036 HydrophobicContact CG2-CG 4.25Å; L2036-L2039 CarbonylContact C-O 3.54Å; L2036-L2039 WeakPolarHBondContact CA-O 3.49Å; L2036-L2039 HydrophobicContact CB-CB 4.25Å; L2036-L2039 HydrophobicContact CD1-CB 4.48Å; L2036-L2039 HydrophobicContact CD1-CD1 4.44Å; L2036-L2039 PolarHBondContact N-O 3.08Å; L2036-L2041 HydrophobicContact CD1-CD1 3.84Å; L2036-L2041 HydrophobicContact CG-CD1 4.39Å
2037K75.5Confident87.8Confident186 Ų18640.4 Ų40.481%0.80921%0.207SC*.SBendtrans-58.5-59.4-177.2-174.7179.5178.41790113.3
2038D77.9Confident87.3Confident64 Ų6443.7 Ų43.734%0.34223%0.228SC..SBendtrans-105.5-1.3-177.1-66.9-75.7000113.2K2002 R2003K2002-D2038 WeakPolarHBondContact CB-O 3.34Å; K2002-D2038 PolarHBondContact N-O 2.8Å; R2003-D2038 WeakPolarHBondContact CD-OD1 3.4Å; R2003-D2038 HydrophobicContact CG-CB 4.22Å
2039L82.7Confident86.6Confident13 Ų1343.9 Ų43.97%0.06823%0.231CC..EExtended strand (participates in β ladder)trans-133152.9-173.2-56.8169.1000110.9W1960 L1961 V1999 I2000 K2002 L2036 L2041W1960-L2039 HydrophobicContact CE3-CD1 3.92Å; W1960-L2039 HydrophobicContact CE3-CD2 4.37Å; W1960-L2039 HydrophobicContact CZ3-CD1 3.68Å; W1960-L2039 HydrophobicContact CZ3-CD2 3.81Å; W1960-L2039 HydrophobicContact CZ3-CG 4.42Å; L1961-L2039 HydrophobicContact CD2-CD1 4.29Å; V1999-L2039 HydrophobicContact CG1-CD2 4.3Å; I2000-L2039 CarbonylContact O-C 3.44Å; I2000-L2039 WeakPolarHBondContact O-CA 3.21Å; K2002-L2039 WeakPolarHBondContact CE-O 3.36Å; L2036-L2039 CarbonylContact C-O 3.54Å; L2036-L2039 WeakPolarHBondContact CA-O 3.49Å; L2036-L2039 HydrophobicContact CB-CB 4.25Å; L2036-L2039 HydrophobicContact CD1-CB 4.48Å; L2036-L2039 HydrophobicContact CD1-CD1 4.44Å; L2036-L2039 PolarHBondContact N-O 3.08Å; L2039-L2041 HydrophobicContact CB-CD1 3.97Å
2040H85.5Confident86.2Confident19 Ų1942.7 Ų42.79%0.08823%0.233CC..EExtended strand (participates in β ladder)trans-130.2132.5163.8-160.7116000108.6I2000 K2002 I2012 S2035I2000-H2040 HydrophobicContact CB-CB 4.47Å; I2000-H2040 WeakPolarHBondContact CB-O 3.5Å; I2000-H2040 PolarHBondContact N-O 3.24Å; I2000-H2040 PolarHBondContact O-N 3.18Å; K2002-H2040 HydrophobicContact CG-CB 4.41Å; I2012-H2040 HydrophobicContact CG2-CB 3.85Å; S2035-H2040 PolarHBondContact OG-ND1 3.23Å
2041L88.8Confident86.1Confident0 Ų042.4 Ų42.40%023%0.232CC..EExtended strand (participates in β ladder)trans-117.8129.1-177.1-69.881.8000110.5L1961 L1965 W1971 V1997 K1998 V1999 S2033 I2034 L2036 L2039L1961-L2041 HydrophobicContact CD2-CD2 4.38Å; L1965-L2041 HydrophobicContact CD1-CD1 3.91Å; L1965-L2041 HydrophobicContact CD1-CD2 3.35Å; L1965-L2041 HydrophobicContact CD1-CG 4.31Å; L1965-L2041 HydrophobicContact CD2-CD2 4Å; L1965-L2041 HydrophobicContact CG-CD2 4.31Å; W1971-L2041 HydrophobicContact CH2-CD2 3.71Å; W1971-L2041 HydrophobicContact CZ2-CD2 4.13Å; V1997-L2041 HydrophobicContact CG1-CB 4.16Å; V1997-L2041 HydrophobicContact CG1-CD2 3.84Å; V1997-L2041 HydrophobicContact CG1-CG 4.35Å; K1998-L2041 WeakPolarHBondContact O-CA 3.13Å; V1999-L2041 HydrophobicContact CB-CG 4.36Å; V1999-L2041 HydrophobicContact CG1-CD1 4.32Å; V1999-L2041 HydrophobicContact CG1-CG 4.07Å; V1999-L2041 HydrophobicContact CG2-CD2 3.97Å; V1999-L2041 HydrophobicContact CG2-CG 4.03Å; S2033-L2041 CarbonylContact C-O 3.46Å; S2033-L2041 WeakPolarHBondContact CA-O 3.26Å; I2034-L2041 HydrophobicContact CB-CB 4.32Å; I2034-L2041 PolarHBondContact N-O 2.89Å; I2034-L2041 PolarHBondContact O-N 2.92Å; L2036-L2041 HydrophobicContact CD1-CD1 3.84Å; L2036-L2041 HydrophobicContact CG-CD1 4.39Å; L2039-L2041 HydrophobicContact CB-CD1 3.97Å
2042L90.5Very high86.1Confident0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-106.9117.7171.7-49.2-178.4000108.2V1997 K1998 I2000 E2015 V2016 L2030 L2044V1997-L2042 CarbonylContact C-O 3.56Å; V1997-L2042 VanDerWaalsContact CA-O 3.29Å; V1997-L2042 WeakPolarHBondContact CA-O 3.43Å; K1998-L2042 HydrophobicContact CB-CB 4.29Å; K1998-L2042 HydrophobicContact CD-CD1 4.41Å; K1998-L2042 PolarHBondContact N-O 3.38Å; K1998-L2042 PolarHBondContact O-N 3.49Å; I2000-L2042 HydrophobicContact CD1-CD1 4.08Å; I2000-L2042 HydrophobicContact CD1-CG 4.22Å; E2015-L2042 VanDerWaalsContact CD-CD1 3.41Å; E2015-L2042 HydrophobicContact CG-CD1 3.73Å; E2015-L2042 WeakPolarHBondContact OE1-CD1 3.21Å; V2016-L2042 HydrophobicContact CG2-CD2 3.42Å; V2016-L2042 VanDerWaalsContact CG2-CD2 3.42Å; L2030-L2042 HydrophobicContact CD1-CB 3.92Å; L2030-L2042 HydrophobicContact CD1-CD2 4.4Å; L2042-L2044 HydrophobicContact CB-CD2 4.12Å; L2042-L2044 HydrophobicContact CB-CG 4.31Å
2043V90.7Very high86.1Confident0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-92.6106.1176.8-174.40000107.4F1969 Y1995 V1997 H2031 D2032F1969-V2043 HydrophobicContact CE1-CG1 4.14Å; F1969-V2043 HydrophobicContact CE1-CG2 4.29Å; F1969-V2043 HydrophobicContact CZ-CG1 4.44Å; F1969-V2043 HydrophobicContact CZ-CG2 3.82Å; Y1995-V2043 HydrophobicContact CD1-CG1 3.95Å; Y1995-V2043 HydrophobicContact CG-CG1 3.83Å; V1997-V2043 HydrophobicContact CG2-CG1 4.32Å; V1997-V2043 HydrophobicContact CG2-CG2 4.26Å; H2031-V2043 HydrophobicContact CB-CG1 4.36Å; H2031-V2043 WeakPolarHBondContact CB-O 3.16Å; H2031-V2043 PolarHBondContact N-O 3.3Å; D2032-V2043 HydrophobicContact CB-CB 4.04Å; D2032-V2043 HydrophobicContact CB-CG2 4.06Å; D2032-V2043 PolarHBondContact N-O 3.5Å; D2032-V2043 PolarHBondContact O-N 3.46Å
2044L93.1Very high85.9Confident17 Ų1737.5 Ų37.59%0.08920%0.203CC..EExtended strand (participates in β ladder)trans-107.5164.5-172.2-52.8174000111.3Y1995 A1996 K1998 L2019 V2028 Q2029 L2030 L2042 F2046Y1995-L2044 CarbonylContact C-O 2.94Å; Y1995-L2044 VanDerWaalsContact CA-O 3.26Å; Y1995-L2044 WeakPolarHBondContact CA-O 3.31Å; Y1995-L2044 VanDerWaalsContact CB-O 3.24Å; Y1995-L2044 WeakPolarHBondContact CB-O 3.01Å; Y1995-L2044 WeakPolarHBondContact CD1-O 3.45Å; A1996-L2044 HydrophobicContact CB-CB 4.36Å; A1996-L2044 PolarHBondContact N-O 3.01Å; A1996-L2044 WeakPolarHBondContact O-CA 3.42Å; A1996-L2044 WeakPolarHBondContact O-CB 2.95Å; A1996-L2044 PolarHBondContact O-N 2.94Å; K1998-L2044 HydrophobicContact CB-CD1 4.27Å; L2019-L2044 HydrophobicContact CD1-CD2 3.91Å; V2028-L2044 HydrophobicContact CG1-CB 3.84Å; Q2029-L2044 CarbonylContact O-C 3.59Å; Q2029-L2044 VanDerWaalsContact O-CA 3.3Å; Q2029-L2044 WeakPolarHBondContact O-CA 3.26Å; L2030-L2044 HydrophobicContact CB-CD2 4.12Å; L2030-L2044 HydrophobicContact CD1-CD2 3.71Å; L2042-L2044 HydrophobicContact CB-CD2 4.12Å; L2042-L2044 HydrophobicContact CB-CG 4.31Å; L2044-F2046 PolarHBondContact O-N 3.2Å
2045E91.9Very high85.8Confident45 Ų4536.7 Ų36.721%0.2120%0.199CC..EExtended strand (participates in β ladder)trans-57.9132.9166.9-179.5179.9-158.100111V2028 Q2029 V2047 K2109V2028-E2045 HydrophobicContact CG1-CB 4.14Å; Q2029-E2045 HydrophobicContact CB-CB 4.3Å; Q2029-E2045 PolarHBondContact N-OE2 3.16Å; Q2029-E2045 PolarHBondContact O-N 2.71Å; E2045-V2047 HydrophobicContact CG-CG2 4.36Å; E2045-K2109 WeakPolarHBondContact OE1-CE 3.4Å; E2045-K2109 IonicContact OE1-NZ 3.41Å; E2045-K2109 PolarHBondContact OE1-NZ 3.05Å; E2045-K2109 IonicContact OE2-NZ 2.85Å; E2045-K2109 PolarHBondContact OE2-NZ 3.01Å
2046F91.2Very high85.8Confident51 Ų5133.8 Ų33.822%0.22418%0.178CC..  trans-84.5129.6171.4178.2-116.2000110.5L1975 E1985 T1994 L2044 P2048L1975-F2046 HydrophobicContact CD1-CD2 3.79Å; L1975-F2046 HydrophobicContact CD1-CE2 3.75Å; L1975-F2046 HydrophobicContact CD2-CE2 3.98Å; E1985-F2046 HydrophobicContact CB-CE2 4.45Å; E1985-F2046 HydrophobicContact CG-CD2 3.94Å; E1985-F2046 HydrophobicContact CG-CE2 3.97Å; E1985-F2046 HydrophobicContact CG-CG 4.28Å; E1985-F2046 HydrophobicContact CG-CZ 4.32Å; E1985-F2046 VanDerWaalsContact OE2-CE2 3.31Å; E1985-F2046 WeakPolarHBondContact OE2-CE2 3.43Å; E1985-F2046 WeakPolarHBondContact OE2-CZ 3.4Å; T1994-F2046 HydrophobicContact CG2-CB 3.99Å; T1994-F2046 HydrophobicContact CG2-CD1 3.56Å; T1994-F2046 HydrophobicContact CG2-CE1 4.14Å; T1994-F2046 HydrophobicContact CG2-CG 3.79Å; L2044-F2046 PolarHBondContact O-N 3.2Å; F2046-P2048 HydrophobicContact CE1-CB 3.83Å; F2046-P2048 HydrophobicContact CZ-CB 4.19Å
2047V89Confident85.8Confident10 Ų1032.6 Ų32.66%0.06117%0.172CC..  trans-122113.7179.8-1770000108.1V2028 E2045 L2097 I2098 K2109V2028-V2047 HydrophobicContact CG2-CG2 4.02Å; E2045-V2047 HydrophobicContact CG-CG2 4.36Å; V2047-L2097 HydrophobicContact CB-CB 3.81Å; V2047-L2097 HydrophobicContact CB-CD1 3.93Å; V2047-L2097 HydrophobicContact CG1-CB 3.62Å; V2047-L2097 HydrophobicContact CG2-CB 4.34Å; V2047-L2097 HydrophobicContact CG2-CD1 4.21Å; V2047-I2098 VanDerWaalsContact CG1-O 3.25Å; V2047-I2098 WeakPolarHBondContact CG1-O 3.26Å; V2047-K2109 HydrophobicContact CG1-CD 4.24Å; V2047-K2109 HydrophobicContact CG2-CB 4.35Å; V2047-K2109 HydrophobicContact CG2-CD 3.53Å
2048P83Confident85.9Confident69 Ų6924.4 Ų24.445%0.44814%0.139SC..THydrogen-bonded Turntrans-86.4-17.3-160.731.8-36.8000115.9F2046 G2050F2046-P2048 HydrophobicContact CE1-CB 3.83Å; F2046-P2048 HydrophobicContact CZ-CB 4.19Å; P2048-G2050 PolarHBondContact O-N 3.48Å
2049G79.1Confident85.9Confident11 Ų1122.9 Ų22.911%0.11314%0.136CC..THydrogen-bonded Turntrans-80.814.3-173.200000115.4I2098G2049-I2098 WeakPolarHBondContact CA-O 3.38Å; G2049-I2098 PolarHBondContact N-O 3.4Å
2050G84.5Confident85.7Confident28 Ų2826.7 Ų26.729%0.28915%0.15SC..  trans71.8-152.8-176.300000112.8P2048 L2097 I2098P2048-G2050 PolarHBondContact O-N 3.48Å; G2050-L2097 CarbonylContact O-C 3.08Å; G2050-L2097 VanDerWaalsContact O-CA 3.24Å; G2050-L2097 WeakPolarHBondContact O-CA 3.43Å; G2050-I2098 PolarHBondContact O-N 2.88Å
2051D89Confident85.6Confident23 Ų2328.7 Ų28.712%0.12316%0.163CC..BIsolated β-bridgetrans-113.2160.8-178.564.359.5000112.5R1872 F2053 D2054 A2055 L2096 L2097R1872-D2051 IonicContact NH2-OD2 2.69Å; R1872-D2051 PolarHBondContact NH2-OD2 2.88Å; D2051-F2053 PolarHBondContact O-N 3.26Å; D2051-F2053 WeakPolarHBondContact OD1-CA 3.31Å; D2051-F2053 WeakPolarHBondContact OD1-CB 3.41Å; D2051-F2053 PolarHBondContact OD1-N 3.25Å; D2051-D2054 PolarHBondContact O-N 3.49Å; D2051-D2054 PolarHBondContact OD1-N 3.38Å; D2051-A2055 PolarHBondContact O-N 2.83Å; D2051-A2055 VanDerWaalsContact O-N 3.15Å; D2051-L2096 CarbonylContact C-O 3.56Å; D2051-L2096 WeakPolarHBondContact CA-O 2.98Å; D2051-L2097 HydrophobicContact CB-CD2 4.05Å
2052L89.9Confident85.5Confident1 Ų129.8 Ų29.81%0.00517%0.168CC..Hα-helixtrans-67.6-17.5179.3-174.770.9000112A2055 L2056 F2062 M2070 P2093 L2096 I2098 I2108 I2155 M2159L2052-A2055 HydrophobicContact CD1-CB 4.16Å; L2052-L2056 HydrophobicContact CD2-CD1 4.46Å; L2052-L2056 HydrophobicContact CG-CD1 4.08Å; L2052-L2056 HydrophobicContact CG-CG 4.31Å; L2052-L2056 WeakPolarHBondContact O-CB 3.03Å; L2052-L2056 VanDerWaalsContact O-CG 3.3Å; L2052-L2056 WeakPolarHBondContact O-CG 3.4Å; L2052-L2056 PolarHBondContact O-N 3.43Å; L2052-F2062 HydrophobicContact CD1-CE2 3.97Å; L2052-F2062 HydrophobicContact CD1-CZ 4.47Å; L2052-M2070 HydrophobicContact CD1-SD 4.02Å; L2052-P2093 HydrophobicContact CB-CB 4Å; L2052-P2093 WeakPolarHBondContact CB-O 3.15Å; L2052-P2093 HydrophobicContact CD2-CB 4.34Å; L2052-P2093 HydrophobicContact CG-CB 4.2Å; L2052-P2093 PolarHBondContact N-O 3Å; L2052-P2093 VanDerWaalsContact N-O 3.08Å; L2052-L2096 HydrophobicContact CB-CB 3.85Å; L2052-L2096 HydrophobicContact CD2-CB 4.28Å; L2052-L2096 HydrophobicContact CD2-CD1 3.7Å; L2052-L2096 PolarHBondContact N-O 2.61Å; L2052-I2098 HydrophobicContact CD1-CD1 4.12Å; L2052-I2108 HydrophobicContact CD1-CD1 3.9Å; L2052-I2108 HydrophobicContact CD2-CD1 3.96Å; L2052-I2108 HydrophobicContact CG-CD1 4.41Å; L2052-I2155 HydrophobicContact CD2-CG2 3.6Å; L2052-M2159 HydrophobicContact CD1-CE 4.41Å; L2052-M2159 HydrophobicContact CD2-SD 4.45Å
2053F87.3Confident85.2Confident68 Ų6833.9 Ų33.930%0.29820%0.195SC..Hα-helixtrans-69.4-50.8175.4-175.4-93.2000110.3D2051 A2055 L2056 V2057 P2093 E2094D2051-F2053 PolarHBondContact O-N 3.26Å; D2051-F2053 WeakPolarHBondContact OD1-CA 3.31Å; D2051-F2053 WeakPolarHBondContact OD1-CB 3.41Å; D2051-F2053 PolarHBondContact OD1-N 3.25Å; F2053-A2055 VanDerWaalsContact C-N 3.27Å; F2053-A2055 PolarHBondContact O-N 3.47Å; F2053-L2056 PolarHBondContact O-N 2.99Å; F2053-V2057 HydrophobicContact CD1-CG2 3.9Å; F2053-V2057 HydrophobicContact CE1-CG2 3.56Å; F2053-V2057 HydrophobicContact CZ-CG2 3.94Å; F2053-V2057 VanDerWaalsContact O-CB 3.27Å; F2053-V2057 WeakPolarHBondContact O-CB 3.32Å; F2053-V2057 VanDerWaalsContact O-CG2 3.26Å; F2053-V2057 WeakPolarHBondContact O-CG2 3.28Å; F2053-V2057 PolarHBondContact O-N 2.86Å; F2053-P2093 HydrophobicContact CB-CB 3.81Å; F2053-P2093 HydrophobicContact CD2-CB 4.45Å; F2053-P2093 VanDerWaalsContact N-CB 3.35Å; F2053-P2093 PolarHBondContact N-O 2.99Å; F2053-E2094 HydrophobicContact CB-CG 3.89Å; F2053-E2094 HydrophobicContact CD2-CG 4.33Å; F2053-E2094 HydrophobicContact CG-CG 4.13Å
2054D82.5Confident85.1Confident40 Ų4036 Ų3621%0.21421%0.205CC..Hα-helixtrans-56.8-43.4171.4-76.5-27.3000110.9R1872 Y1928 D2051 L2056 V2057 A2058R1872-D2054 IonicContact CZ-OD1 3.69Å; R1872-D2054 IonicContact CZ-OD2 2.9Å; R1872-D2054 VanDerWaalsContact NH1-CG 3.26Å; R1872-D2054 IonicContact NH1-OD1 3.99Å; R1872-D2054 PolarHBondContact NH1-OD1 3.37Å; R1872-D2054 IonicContact NH1-OD2 2.73Å; R1872-D2054 PolarHBondContact NH1-OD2 3.45Å; R1872-D2054 IonicContact NH2-OD1 3.22Å; R1872-D2054 PolarHBondContact NH2-OD1 3.36Å; R1872-D2054 IonicContact NH2-OD2 3.85Å; R1872-D2054 PolarHBondContact NH2-OD2 3.25Å; Y1928-D2054 PolarHBondContact OH-O 3.35Å; D2051-D2054 PolarHBondContact O-N 3.49Å; D2051-D2054 PolarHBondContact OD1-N 3.38Å; D2054-L2056 PolarHBondContact O-N 3.19Å; D2054-V2057 WeakPolarHBondContact O-CB 2.96Å; D2054-V2057 PolarHBondContact O-N 3.29Å; D2054-V2057 VanDerWaalsContact O-N 3.12Å; D2054-A2058 PolarHBondContact O-N 2.76Å
2055A83.9Confident84.8Confident7 Ų738 Ų386%0.05822%0.223CC..Hα-helixtrans-56.3-46.7177.400000113.1Y1928 D2051 L2052 F2053 A2059 F2062 I2098Y1928-A2055 WeakPolarHBondContact OH-CA 3.29Å; Y1928-A2055 PolarHBondContact OH-N 3.09Å; D2051-A2055 PolarHBondContact O-N 2.83Å; D2051-A2055 VanDerWaalsContact O-N 3.15Å; L2052-A2055 HydrophobicContact CD1-CB 4.16Å; F2053-A2055 VanDerWaalsContact C-N 3.27Å; F2053-A2055 PolarHBondContact O-N 3.47Å; A2055-A2059 WeakPolarHBondContact O-CB 3.11Å; A2055-A2059 PolarHBondContact O-N 2.86Å; A2055-F2062 HydrophobicContact CB-CE2 4.44Å; A2055-F2062 HydrophobicContact CB-CZ 3.92Å; A2055-I2098 HydrophobicContact CB-CD1 3.36Å
2056L84.5Confident84.5Confident14 Ų1438.1 Ų38.17%0.07323%0.227CC..Hα-helixtrans-70.1-35.8174.5-76.6168000112.6L2052 F2053 D2054 A2058 R2060 F2062 P2093 I2158 M2159L2052-L2056 HydrophobicContact CD2-CD1 4.46Å; L2052-L2056 HydrophobicContact CG-CD1 4.08Å; L2052-L2056 HydrophobicContact CG-CG 4.31Å; L2052-L2056 WeakPolarHBondContact O-CB 3.03Å; L2052-L2056 VanDerWaalsContact O-CG 3.3Å; L2052-L2056 WeakPolarHBondContact O-CG 3.4Å; L2052-L2056 PolarHBondContact O-N 3.43Å; F2053-L2056 PolarHBondContact O-N 2.99Å; D2054-L2056 PolarHBondContact O-N 3.19Å; L2056-A2058 VanDerWaalsContact C-N 3.3Å; L2056-A2058 PolarHBondContact O-N 2.87Å; L2056-R2060 WeakPolarHBondContact O-CA 3.3Å; L2056-R2060 PolarHBondContact O-N 3.32Å; L2056-F2062 HydrophobicContact CD2-CD2 3.88Å; L2056-F2062 HydrophobicContact CD2-CE2 3.74Å; L2056-F2062 HydrophobicContact CG-CE2 4.09Å; L2056-P2093 HydrophobicContact CD1-CB 4.09Å; L2056-P2093 HydrophobicContact CD1-CG 3.88Å; L2056-I2158 HydrophobicContact CD1-CG2 3.86Å; L2056-I2158 HydrophobicContact CD2-CG2 4.14Å; L2056-I2158 HydrophobicContact CG-CG2 4.5Å; L2056-M2159 HydrophobicContact CD1-CG 4.49Å; L2056-M2159 HydrophobicContact CD2-CB 4.36Å; L2056-M2159 HydrophobicContact CD2-CG 3.87Å
2057V81Confident84.5Confident18 Ų1835.7 Ų35.711%0.10922%0.217CC..Hα-helixtrans-62.4-38.2175.7153.70000111.2H1774 P1775 F2053 D2054H1774-V2057 HydrophobicContact CB-CG1 3.77Å; P1775-V2057 HydrophobicContact CB-CG1 4.25Å; P1775-V2057 HydrophobicContact CB-CG2 4.38Å; P1775-V2057 WeakPolarHBondContact CD-O 3.17Å; P1775-V2057 HydrophobicContact CG-CG1 4.22Å; P1775-V2057 HydrophobicContact CG-CG2 4.38Å; F2053-V2057 HydrophobicContact CD1-CG2 3.9Å; F2053-V2057 HydrophobicContact CE1-CG2 3.56Å; F2053-V2057 HydrophobicContact CZ-CG2 3.94Å; F2053-V2057 VanDerWaalsContact O-CB 3.27Å; F2053-V2057 WeakPolarHBondContact O-CB 3.32Å; F2053-V2057 VanDerWaalsContact O-CG2 3.26Å; F2053-V2057 WeakPolarHBondContact O-CG2 3.28Å; F2053-V2057 PolarHBondContact O-N 2.86Å; D2054-V2057 WeakPolarHBondContact O-CB 2.96Å; D2054-V2057 PolarHBondContact O-N 3.29Å; D2054-V2057 VanDerWaalsContact O-N 3.12Å
2058A78.3Confident84.6Confident14 Ų1435.4 Ų35.412%0.11622%0.215CC..Hα-helixtrans-77.4-48.2176.100000113.4F1772 H1774 Y1928 D2054 L2056F1772-A2058 WeakPolarHBondContact CD1-O 3Å; H1774-A2058 WeakPolarHBondContact NE2-CB 3.37Å; Y1928-A2058 HydrophobicContact CE2-CB 3.63Å; Y1928-A2058 WeakPolarHBondContact OH-CB 3.23Å; D2054-A2058 PolarHBondContact O-N 2.76Å; L2056-A2058 VanDerWaalsContact C-N 3.3Å; L2056-A2058 PolarHBondContact O-N 2.87Å
2059A78.3Confident84.9Confident33 Ų3333.1 Ų33.127%0.27320%0.198SC..Hα-helixtrans-84.1-23.7-173.700000113.9F1772 A2055 T2061 F2062F1772-A2059 VanDerWaalsContact CE1-O 3.26Å; F1772-A2059 WeakPolarHBondContact CE1-O 2.69Å; A2055-A2059 WeakPolarHBondContact O-CB 3.11Å; A2055-A2059 PolarHBondContact O-N 2.86Å; A2059-T2061 PolarHBondContact O-N 2.8Å; A2059-F2062 HydrophobicContact CB-CE1 4.13Å; A2059-F2062 HydrophobicContact CB-CZ 4.15Å
2060R78.4Confident85.5Confident93 Ų9332.7 Ų32.735%0.35119%0.193SC..SBendtrans54.6-41.6-158.9-59.4175.4-160.6133.511.3115.1F1772 L2056 G2162F1772-R2060 HydrophobicContact CD1-CB 4.35Å; F1772-R2060 HydrophobicContact CD1-CG 3.66Å; F1772-R2060 HydrophobicContact CE1-CB 3.8Å; F1772-R2060 VanDerWaalsContact CE1-CD 3.41Å; F1772-R2060 HydrophobicContact CE1-CG 3.51Å; F1772-R2060 VanDerWaalsContact CE1-CZ 3.45Å; F1772-R2060 VanDerWaalsContact CE1-NH1 3.35Å; F1772-R2060 VanDerWaalsContact CE2-NH1 3.3Å; F1772-R2060 VanDerWaalsContact CG-CZ 3.46Å; F1772-R2060 VanDerWaalsContact CG-NH2 3.29Å; L2056-R2060 WeakPolarHBondContact O-CA 3.3Å; L2056-R2060 PolarHBondContact O-N 3.32Å; R2060-G2162 WeakPolarHBondContact O-CA 3.44Å
2061T83.7Confident86Confident61 Ų6131.4 Ų31.437%0.37418%0.18SC..SBendtrans-145.5140.5-177.448.20000109.9A2059 M2159 C2161A2059-T2061 PolarHBondContact O-N 2.8Å; T2061-M2159 CarbonylContact C-O 3.1Å; T2061-M2159 WeakPolarHBondContact CA-O 3.48Å; T2061-C2161 VanDerWaalsContact CG2-C 3.43Å
2062F85.8Confident86.2Confident23 Ų2332.6 Ų32.610%0.10119%0.185CC..  trans-95.4145.9170.4-73-73.3000110.8L2052 A2055 L2056 A2059 T2066 A2067 M2070 M2159L2052-F2062 HydrophobicContact CD1-CE2 3.97Å; L2052-F2062 HydrophobicContact CD1-CZ 4.47Å; A2055-F2062 HydrophobicContact CB-CE2 4.44Å; A2055-F2062 HydrophobicContact CB-CZ 3.92Å; L2056-F2062 HydrophobicContact CD2-CD2 3.88Å; L2056-F2062 HydrophobicContact CD2-CE2 3.74Å; L2056-F2062 HydrophobicContact CG-CE2 4.09Å; A2059-F2062 HydrophobicContact CB-CE1 4.13Å; A2059-F2062 HydrophobicContact CB-CZ 4.15Å; F2062-T2066 HydrophobicContact CB-CG2 4.47Å; F2062-T2066 HydrophobicContact CD1-CG2 3.77Å; F2062-T2066 HydrophobicContact CE1-CG2 4.46Å; F2062-T2066 HydrophobicContact CG-CG2 4.39Å; F2062-A2067 HydrophobicContact CB-CB 4.15Å; F2062-M2070 HydrophobicContact CD1-CE 4.32Å; F2062-M2070 HydrophobicContact CD1-SD 4.41Å; F2062-M2070 HydrophobicContact CD2-SD 4.28Å; F2062-M2070 HydrophobicContact CE1-CE 3.88Å; F2062-M2070 HydrophobicContact CE1-SD 4.36Å; F2062-M2070 HydrophobicContact CE2-SD 4.21Å; F2062-M2070 HydrophobicContact CG-SD 4.37Å; F2062-M2070 HydrophobicContact CZ-CE 4Å; F2062-M2070 HydrophobicContact CZ-SD 4.27Å; F2062-M2159 HydrophobicContact CB-CE 4.38Å; F2062-M2159 HydrophobicContact CD2-CB 4.3Å; F2062-M2159 HydrophobicContact CD2-CE 3.65Å; F2062-M2159 HydrophobicContact CD2-CG 4.09Å; F2062-M2159 HydrophobicContact CE2-CE 4.27Å; F2062-M2159 HydrophobicContact CG-CE 4.19Å; F2062-M2159 PolarHBondContact N-O 3.02Å
2063P84.9Confident86.3Confident86 Ų8632.6 Ų32.656%0.55819%0.185SC*.  trans-55.9150.3167-22.633.4000111.1A2065 T2066 A2067P2063-A2065 VanDerWaalsContact C-N 3.27Å; P2063-A2065 PolarHBondContact O-N 3.29Å; P2063-T2066 PolarHBondContact O-N 2.84Å; P2063-A2067 PolarHBondContact O-N 3Å
2064E88.5Confident86.7Confident45 Ų4529.4 Ų29.421%0.2117%0.171CC..Hα-helixtrans-54.4-40.8-176.7-74.1-170-128.200113.1A2067 A2068 L2160 I2195 S2196 A2199 W2225E2064-A2067 PolarHBondContact O-N 2.91Å; E2064-A2068 WeakPolarHBondContact O-CB 3.17Å; E2064-A2068 PolarHBondContact O-N 2.88Å; E2064-L2160 HydrophobicContact CG-CD2 3.9Å; E2064-I2195 HydrophobicContact CG-CD1 4.32Å; E2064-I2195 WeakPolarHBondContact OE1-CA 3.38Å; E2064-S2196 PolarHBondContact OE1-N 2.72Å; E2064-S2196 WeakPolarHBondContact OE2-CB 3.23Å; E2064-S2196 PolarHBondContact OE2-OG 2.89Å; E2064-A2199 WeakPolarHBondContact OE2-CB 2.94Å; E2064-W2225 HydrophobicContact CB-CZ2 3.77Å; E2064-W2225 HydrophobicContact CG-CZ2 4.01Å; E2064-W2225 WeakPolarHBondContact O-CH2 3.38Å; E2064-W2225 VanDerWaalsContact O-CZ2 3.28Å; E2064-W2225 WeakPolarHBondContact O-CZ2 3.19Å; E2064-W2225 PolarHBondContact OE2-NE1 2.92Å
2065A85.3Confident87.4Confident58 Ų5827.5 Ų27.548%0.47916%0.161SC..Hα-helixtrans-64.4-42.317700000113.1P2063 A2068 H2069P2063-A2065 VanDerWaalsContact C-N 3.27Å; P2063-A2065 PolarHBondContact O-N 3.29Å; A2065-A2068 PolarHBondContact O-N 2.69Å; A2065-H2069 WeakPolarHBondContact O-CB 3.06Å; A2065-H2069 PolarHBondContact O-N 2.95Å
2066T86.4Confident87.9Confident48 Ų4828.7 Ų28.729%0.29417%0.168SC..Hα-helixtrans-67.1-42.5176.4-47.70000110.8F2062 P2063 H2069 M2070F2062-T2066 HydrophobicContact CB-CG2 4.47Å; F2062-T2066 HydrophobicContact CD1-CG2 3.77Å; F2062-T2066 HydrophobicContact CE1-CG2 4.46Å; F2062-T2066 HydrophobicContact CG-CG2 4.39Å; P2063-T2066 PolarHBondContact O-N 2.84Å; T2066-H2069 PolarHBondContact O-N 2.6Å; T2066-M2070 HydrophobicContact CG2-CE 4.03Å; T2066-M2070 HydrophobicContact CG2-SD 4.25Å; T2066-M2070 VanDerWaalsContact O-CB 3.31Å; T2066-M2070 WeakPolarHBondContact O-CB 3.38Å; T2066-M2070 WeakPolarHBondContact O-CG 3.12Å; T2066-M2070 PolarHBondContact O-N 2.81Å
2067A90.9Very high88.4Confident0 Ų028 Ų280%017%0.165CC..Hα-helixtrans-64.4-39.1175.700000111.8F2062 P2063 E2064 M2071 L2156 M2159 L2160 W2225F2062-A2067 HydrophobicContact CB-CB 4.15Å; P2063-A2067 PolarHBondContact O-N 3Å; E2064-A2067 PolarHBondContact O-N 2.91Å; A2067-M2071 WeakPolarHBondContact O-CB 3.43Å; A2067-M2071 PolarHBondContact O-N 2.99Å; A2067-L2156 HydrophobicContact CB-CD1 4.33Å; A2067-M2159 HydrophobicContact CB-CB 4.27Å; A2067-M2159 HydrophobicContact CB-CE 4.07Å; A2067-L2160 HydrophobicContact CB-CD2 4.21Å; A2067-W2225 HydrophobicContact CB-CH2 3.83Å; A2067-W2225 HydrophobicContact CB-CZ2 4.48Å
2068A91.7Very high89.2Confident3 Ų327.1 Ų27.13%0.02516%0.16CC..Hα-helixtrans-64.4-45.8174.800000112E2064 A2065 M2071 Q2072 W2225 I2226E2064-A2068 WeakPolarHBondContact O-CB 3.17Å; E2064-A2068 PolarHBondContact O-N 2.88Å; A2065-A2068 PolarHBondContact O-N 2.69Å; A2068-M2071 PolarHBondContact O-N 2.76Å; A2068-Q2072 WeakPolarHBondContact O-CB 3.17Å; A2068-Q2072 PolarHBondContact O-N 3.38Å; A2068-W2225 VanDerWaalsContact CA-CZ3 3.4Å; A2068-W2225 HydrophobicContact CB-CD2 4.26Å; A2068-W2225 HydrophobicContact CB-CE3 3.81Å; A2068-W2225 HydrophobicContact CB-CH2 3.82Å; A2068-W2225 HydrophobicContact CB-CZ2 4.19Å; A2068-W2225 HydrophobicContact CB-CZ3 3.62Å; A2068-I2226 HydrophobicContact CB-CD1 4.04Å; A2068-I2226 WeakPolarHBondContact O-CD1 3.18Å
2069H89Confident90Very high22 Ų2227.3 Ų27.310%0.10216%0.161CC..Hα-helixtrans-64.5-50.6178.5-167.395.2000112.1A2065 T2066 M2071 Q2072 N2073 W2105 Y2107A2065-H2069 WeakPolarHBondContact O-CB 3.06Å; A2065-H2069 PolarHBondContact O-N 2.95Å; T2066-H2069 PolarHBondContact O-N 2.6Å; H2069-M2071 VanDerWaalsContact C-N 3.26Å; H2069-M2071 PolarHBondContact O-N 3.01Å; H2069-Q2072 WeakPolarHBondContact O-CA 3.34Å; H2069-Q2072 WeakPolarHBondContact O-CB 3.44Å; H2069-Q2072 PolarHBondContact O-N 3.45Å; H2069-N2073 PolarHBondContact CD2-OD1 3.01Å; H2069-N2073 PolarHBondContact NE2-ND2 3.27Å; H2069-N2073 PolarHBondContact O-N 3.13Å; H2069-N2073 PolarHBondContact O-ND2 3.08Å; H2069-N2073 PolarHBondContact O-OD1 2.95Å; H2069-N2073 VanDerWaalsContact O-OD1 3.13Å; H2069-W2105 HydrophobicContact CB-CZ3 4.23Å; H2069-W2105 AromaticContact CG-CE3 3.95Å; H2069-W2105 AromaticContact CG-CZ3 3.91Å; H2069-W2105 AromaticContact ND1-CE3 3.85Å; H2069-W2105 AromaticContact ND1-CZ3 3.67Å; H2069-Y2107 AromaticContact NE2-CD1 3.58Å; H2069-Y2107 AromaticContact NE2-CE1 3.29Å; H2069-Y2107 VanDerWaalsContact NE2-CE1 3.29Å; H2069-Y2107 WeakPolarHBondContact NE2-CE1 3.38Å; H2069-Y2107 AromaticContact NE2-CZ 3.92Å
2070M92Very high90.8Very high1 Ų128 Ų281%0.00516%0.158CC..Hα-helixtrans-56.3-40.8174-78.3-177.1173.400112.2L2052 F2062 T2066 N2073 L2074 I2098 K2106 I2108 M2159L2052-M2070 HydrophobicContact CD1-SD 4.02Å; F2062-M2070 HydrophobicContact CD1-CE 4.32Å; F2062-M2070 HydrophobicContact CD1-SD 4.41Å; F2062-M2070 HydrophobicContact CD2-SD 4.28Å; F2062-M2070 HydrophobicContact CE1-CE 3.88Å; F2062-M2070 HydrophobicContact CE1-SD 4.36Å; F2062-M2070 HydrophobicContact CE2-SD 4.21Å; F2062-M2070 HydrophobicContact CG-SD 4.37Å; F2062-M2070 HydrophobicContact CZ-CE 4Å; F2062-M2070 HydrophobicContact CZ-SD 4.27Å; T2066-M2070 HydrophobicContact CG2-CE 4.03Å; T2066-M2070 HydrophobicContact CG2-SD 4.25Å; T2066-M2070 VanDerWaalsContact O-CB 3.31Å; T2066-M2070 WeakPolarHBondContact O-CB 3.38Å; T2066-M2070 WeakPolarHBondContact O-CG 3.12Å; T2066-M2070 PolarHBondContact O-N 2.81Å; M2070-N2073 WeakPolarHBondContact CA-OD1 3.42Å; M2070-N2073 PolarHBondContact O-N 3.48Å; M2070-L2074 PolarHBondContact O-N 3.03Å; M2070-L2074 VanDerWaalsContact O-N 3.09Å; M2070-I2098 HydrophobicContact CE-CD1 4.11Å; M2070-K2106 HydrophobicContact CE-CB 3.45Å; M2070-K2106 VanDerWaalsContact CE-CB 3.45Å; M2070-K2106 HydrophobicContact CE-CD 4.21Å; M2070-K2106 HydrophobicContact CE-CG 4.45Å; M2070-K2106 WeakPolarHBondContact CG-O 3.03Å; M2070-I2108 HydrophobicContact CB-CD1 3.64Å; M2070-I2108 HydrophobicContact CB-CG1 4.17Å; M2070-I2108 HydrophobicContact CG-CD1 3.81Å; M2070-I2108 HydrophobicContact CG-CG1 4.02Å; M2070-I2108 HydrophobicContact SD-CD1 4.09Å; M2070-M2159 HydrophobicContact CB-CE 3.72Å; M2070-M2159 HydrophobicContact CG-CE 4.17Å; M2070-M2159 HydrophobicContact SD-CE 3.33Å; M2070-M2159 WeakPolarHBondContact SD-CE 2.86Å
2071M94.3Very high91.6Very high1 Ų123.5 Ų23.51%0.00514%0.142CC..Hα-helixtrans-67.8-37.3175.6-168.453.846.600111.7A2067 A2068 H2069 L2074 M2075 A2152 I2155 L2156 M2159 M2206 V2220 I2226A2067-M2071 WeakPolarHBondContact O-CB 3.43Å; A2067-M2071 PolarHBondContact O-N 2.99Å; A2068-M2071 PolarHBondContact O-N 2.76Å; H2069-M2071 VanDerWaalsContact C-N 3.26Å; H2069-M2071 PolarHBondContact O-N 3.01Å; M2071-L2074 HydrophobicContact CE-CD2 4.32Å; M2071-L2074 PolarHBondContact O-N 3.27Å; M2071-L2074 HydrophobicContact SD-CD2 4.35Å; M2071-M2075 HydrophobicContact CG-CG 4.17Å; M2071-M2075 VanDerWaalsContact O-CB 3.27Å; M2071-M2075 WeakPolarHBondContact O-CB 3.08Å; M2071-M2075 WeakPolarHBondContact O-CG 3.25Å; M2071-M2075 PolarHBondContact O-N 3.5Å; M2071-M2075 HydrophobicContact SD-CE 3.78Å; M2071-M2075 HydrophobicContact SD-CG 4.13Å; M2071-A2152 HydrophobicContact CE-CB 4.35Å; M2071-A2152 WeakPolarHBondContact CE-O 3.35Å; M2071-A2152 HydrophobicContact SD-CB 3.9Å; M2071-I2155 HydrophobicContact CE-CG2 4.44Å; M2071-L2156 HydrophobicContact CE-CB 3.88Å; M2071-L2156 HydrophobicContact CE-CD1 4.34Å; M2071-M2159 HydrophobicContact CE-SD 4.21Å; M2071-M2206 HydrophobicContact CE-CE 4.39Å; M2071-M2206 HydrophobicContact CG-CE 4.2Å; M2071-M2206 HydrophobicContact CG-SD 4.31Å; M2071-M2206 HydrophobicContact SD-CE 3.39Å; M2071-M2206 WeakPolarHBondContact SD-CE 3.34Å; M2071-M2206 HydrophobicContact SD-SD 4.24Å; M2071-V2220 HydrophobicContact CG-CG1 4.25Å; M2071-I2226 HydrophobicContact CB-CD1 4.04Å; M2071-I2226 HydrophobicContact CG-CD1 4.21Å
2072Q92.9Very high92.1Very high49 Ų4921 Ų2123%0.22913%0.125CC..Hα-helixtrans-61.4-45173-164-15023.600111.2A2068 H2069 L2074 M2075 S2076 L2221 I2226 H2230A2068-Q2072 WeakPolarHBondContact O-CB 3.17Å; A2068-Q2072 PolarHBondContact O-N 3.38Å; H2069-Q2072 WeakPolarHBondContact O-CA 3.34Å; H2069-Q2072 WeakPolarHBondContact O-CB 3.44Å; H2069-Q2072 PolarHBondContact O-N 3.45Å; Q2072-L2074 PolarHBondContact O-N 2.95Å; Q2072-M2075 PolarHBondContact O-N 3.4Å; Q2072-S2076 WeakPolarHBondContact O-CB 3.2Å; Q2072-S2076 PolarHBondContact O-N 3Å; Q2072-L2221 HydrophobicContact CB-CD2 4.32Å; Q2072-L2221 HydrophobicContact CG-CD2 3.42Å; Q2072-L2221 VanDerWaalsContact CG-CD2 3.42Å; Q2072-I2226 HydrophobicContact CB-CG2 3.98Å; Q2072-I2226 HydrophobicContact CG-CG2 3.87Å; Q2072-H2230 PolarHBondContact NE2-NE2 2.99Å; Q2072-H2230 VanDerWaalsContact NE2-NE2 3.18Å; Q2072-H2230 PolarHBondContact OE1-NE2 3.2Å
2073N93.2Very high92.5Very high0 Ų024.1 Ų24.10%015%0.15CC..Hα-helixtrans-59.9-47.2177.5-45.3134.9000110.9Y2026 H2069 M2070 S2076 A2077 Y2107 I2108Y2026-N2073 WeakPolarHBondContact CB-O 3.24Å; Y2026-N2073 HydrophobicContact CD1-CB 3.72Å; Y2026-N2073 HydrophobicContact CD2-CB 4.12Å; Y2026-N2073 HydrophobicContact CE1-CB 4.02Å; Y2026-N2073 HydrophobicContact CE2-CB 4.41Å; Y2026-N2073 HydrophobicContact CG-CB 3.79Å; H2069-N2073 PolarHBondContact CD2-OD1 3.01Å; H2069-N2073 PolarHBondContact NE2-ND2 3.27Å; H2069-N2073 PolarHBondContact O-N 3.13Å; H2069-N2073 PolarHBondContact O-ND2 3.08Å; H2069-N2073 PolarHBondContact O-OD1 2.95Å; H2069-N2073 VanDerWaalsContact O-OD1 3.13Å; M2070-N2073 WeakPolarHBondContact CA-OD1 3.42Å; M2070-N2073 PolarHBondContact O-N 3.48Å; N2073-S2076 PolarHBondContact O-N 2.67Å; N2073-A2077 PolarHBondContact O-N 3.28Å; N2073-Y2107 WeakPolarHBondContact OD1-CA 3.35Å; N2073-I2108 HydrophobicContact CB-CB 4.35Å; N2073-I2108 PolarHBondContact OD1-N 2.68Å
2074L95.9Very high92.8Very high2 Ų222.2 Ų22.21%0.0114%0.135CC..Hα-helixtrans-64-41.5176.9178.952.7000112.4M2070 M2071 Q2072 S2076 A2077 L2078 V2091 L2096 A2152 I2155M2070-L2074 PolarHBondContact O-N 3.03Å; M2070-L2074 VanDerWaalsContact O-N 3.09Å; M2071-L2074 HydrophobicContact CE-CD2 4.32Å; M2071-L2074 PolarHBondContact O-N 3.27Å; M2071-L2074 HydrophobicContact SD-CD2 4.35Å; Q2072-L2074 PolarHBondContact O-N 2.95Å; L2074-S2076 VanDerWaalsContact C-N 3.33Å; L2074-A2077 WeakPolarHBondContact O-CB 3.16Å; L2074-A2077 PolarHBondContact O-N 3.09Å; L2074-L2078 HydrophobicContact CD1-CD1 3.9Å; L2074-L2078 HydrophobicContact CD1-CG 4.05Å; L2074-L2078 HydrophobicContact CG-CD1 4.12Å; L2074-L2078 WeakPolarHBondContact O-CB 3.38Å; L2074-L2078 VanDerWaalsContact O-CG 3.27Å; L2074-L2078 WeakPolarHBondContact O-CG 3.33Å; L2074-L2078 PolarHBondContact O-N 2.74Å; L2074-V2091 HydrophobicContact CD1-CG1 4.31Å; L2074-V2091 HydrophobicContact CD2-CG1 4.34Å; L2074-L2096 HydrophobicContact CD1-CD2 3.52Å; L2074-L2096 HydrophobicContact CD2-CD1 3.74Å; L2074-L2096 HydrophobicContact CD2-CD2 4.27Å; L2074-L2096 HydrophobicContact CG-CD2 4.46Å; L2074-A2152 HydrophobicContact CD2-CB 3.63Å; L2074-A2152 HydrophobicContact CG-CB 4.31Å; L2074-I2155 HydrophobicContact CD2-CD1 4.47Å
2075M96.3Very high93Very high0 Ų022.3 Ų22.30%014%0.137CC..Hα-helixtrans-71.5-29177.7-70.8-59.7104.700112.9M2071 Q2072 L2078 A2079 V2149 A2152 M2206 V2220 L2221M2071-M2075 HydrophobicContact CG-CG 4.17Å; M2071-M2075 VanDerWaalsContact O-CB 3.27Å; M2071-M2075 WeakPolarHBondContact O-CB 3.08Å; M2071-M2075 WeakPolarHBondContact O-CG 3.25Å; M2071-M2075 PolarHBondContact O-N 3.5Å; M2071-M2075 HydrophobicContact SD-CE 3.78Å; M2071-M2075 HydrophobicContact SD-CG 4.13Å; Q2072-M2075 PolarHBondContact O-N 3.4Å; M2075-L2078 HydrophobicContact CE-CD1 3.66Å; M2075-A2079 WeakPolarHBondContact O-CA 3.27Å; M2075-A2079 WeakPolarHBondContact O-CB 3.46Å; M2075-A2079 PolarHBondContact O-N 3.29Å; M2075-V2149 HydrophobicContact CE-CB 4.33Å; M2075-V2149 HydrophobicContact CE-CG1 3.59Å; M2075-V2149 HydrophobicContact CE-CG2 4.1Å; M2075-V2149 HydrophobicContact SD-CB 4.32Å; M2075-V2149 HydrophobicContact SD-CG1 3.34Å; M2075-V2149 WeakPolarHBondContact SD-CG1 3.36Å; M2075-V2149 HydrophobicContact SD-CG2 3.97Å; M2075-A2152 HydrophobicContact CE-CB 3.35Å; M2075-M2206 HydrophobicContact CE-CE 4.14Å; M2075-M2206 HydrophobicContact SD-CE 4.35Å; M2075-V2220 HydrophobicContact CB-CG1 4.4Å; M2075-V2220 HydrophobicContact CG-CB 3.8Å; M2075-V2220 HydrophobicContact CG-CG1 3.5Å; M2075-V2220 VanDerWaalsContact CG-CG1 3.5Å; M2075-V2220 HydrophobicContact SD-CB 4.05Å; M2075-V2220 HydrophobicContact SD-CG1 4.24Å; M2075-V2220 HydrophobicContact SD-CG2 4.22Å; M2075-L2221 HydrophobicContact CB-CD1 4.46Å; M2075-L2221 HydrophobicContact CB-CD2 3.71Å; M2075-L2221 HydrophobicContact CB-CG 3.83Å
2076S95.1Very high93.3Very high31 Ų3119.6 Ų19.622%0.21711%0.114CC..Hα-helixtrans-69-47.21711760000110.5H2024 Q2072 N2073 L2074 L2078 A2079 H2080H2024-S2076 PolarHBondContact CE1-O 3.47Å; H2024-S2076 PolarHBondContact CE1-OG 3.34Å; H2024-S2076 PolarHBondContact NE2-OG 3.32Å; Q2072-S2076 WeakPolarHBondContact O-CB 3.2Å; Q2072-S2076 PolarHBondContact O-N 3Å; N2073-S2076 PolarHBondContact O-N 2.67Å; L2074-S2076 VanDerWaalsContact C-N 3.33Å; S2076-L2078 VanDerWaalsContact C-N 3.33Å; S2076-L2078 PolarHBondContact O-N 2.72Å; S2076-A2079 PolarHBondContact O-N 2.85Å; S2076-H2080 PolarHBondContact O-N 3Å
2077A95.1Very high93.6Very high0 Ų017.3 Ų17.30%010%0.1CC..Hα-helixtrans-53.4-50.6171.500000111.9H2024 Y2026 V2027 N2073 L2074 H2080 L2081 L2110H2024-A2077 PolarHBondContact CE1-N 2.87Å; Y2026-A2077 WeakPolarHBondContact O-CB 3.26Å; V2027-A2077 HydrophobicContact CG2-CB 3.93Å; N2073-A2077 PolarHBondContact O-N 3.28Å; L2074-A2077 WeakPolarHBondContact O-CB 3.16Å; L2074-A2077 PolarHBondContact O-N 3.09Å; A2077-H2080 PolarHBondContact O-N 3.44Å; A2077-L2081 WeakPolarHBondContact O-CG 3.03Å; A2077-L2081 PolarHBondContact O-N 3.4Å; A2077-L2110 HydrophobicContact CB-CB 4.31Å
2078L97.1Very high93.7Very high0 Ų017.3 Ų17.30%010%0.1CC..Hα-helixtrans-69.7-39179.5-67.4177.4000111.9L2074 M2075 S2076 H2080 L2081 H2082 V2091 L2110 D2148 V2149L2074-L2078 HydrophobicContact CD1-CD1 3.9Å; L2074-L2078 HydrophobicContact CD1-CG 4.05Å; L2074-L2078 HydrophobicContact CG-CD1 4.12Å; L2074-L2078 WeakPolarHBondContact O-CB 3.38Å; L2074-L2078 VanDerWaalsContact O-CG 3.27Å; L2074-L2078 WeakPolarHBondContact O-CG 3.33Å; L2074-L2078 PolarHBondContact O-N 2.74Å; M2075-L2078 HydrophobicContact CE-CD1 3.66Å; S2076-L2078 VanDerWaalsContact C-N 3.33Å; S2076-L2078 PolarHBondContact O-N 2.72Å; L2078-H2080 VanDerWaalsContact C-N 3.29Å; L2078-H2080 PolarHBondContact O-N 3.33Å; L2078-L2081 HydrophobicContact CD2-CD1 4.15Å; L2078-L2081 PolarHBondContact O-N 3.22Å; L2078-H2082 WeakPolarHBondContact O-CA 3.49Å; L2078-H2082 WeakPolarHBondContact O-CB 3.33Å; L2078-H2082 PolarHBondContact O-CD2 2.72Å; L2078-H2082 PolarHBondContact O-N 3.25Å; L2078-V2091 HydrophobicContact CD2-CG2 4.25Å; L2078-L2110 HydrophobicContact CD2-CD2 3.55Å; L2078-L2110 HydrophobicContact CG-CD2 4.36Å; L2078-D2148 HydrophobicContact CD1-CB 3.56Å; L2078-D2148 WeakPolarHBondContact CD1-O 3.28Å; L2078-D2148 HydrophobicContact CD2-CB 3.54Å; L2078-D2148 HydrophobicContact CG-CB 4.14Å; L2078-V2149 HydrophobicContact CD1-CG2 4.04Å
2079A95.5Very high93.7Very high18 Ų1818.3 Ų18.315%0.14910%0.103CC..Hα-helixtrans-59.2-40174.400000111.9M2075 S2076 H2082 S2083 T2218 L2221M2075-A2079 WeakPolarHBondContact O-CA 3.27Å; M2075-A2079 WeakPolarHBondContact O-CB 3.46Å; M2075-A2079 PolarHBondContact O-N 3.29Å; S2076-A2079 PolarHBondContact O-N 2.85Å; A2079-H2082 CarbonylContact O-C 3.27Å; A2079-H2082 PolarHBondContact O-N 3.36Å; A2079-S2083 WeakPolarHBondContact O-CB 3.25Å; A2079-S2083 PolarHBondContact O-N 3.44Å; A2079-T2218 HydrophobicContact CB-CG2 4.09Å; A2079-L2221 HydrophobicContact CB-CD1 3.98Å
2080H94.2Very high94Very high46 Ų4617.8 Ų17.821%0.21310%0.101CC..Hα-helixtrans-63.9-53.3173.3178.692.7000111.8R2023 H2024 S2076 A2077 L2078 H2082 S2083 M2084R2023-H2080 PolarHBondContact N-NE2 3.13Å; R2023-H2080 PolarHBondContact O-CE1 2.95Å; R2023-H2080 PolarHBondContact O-NE2 2.72Å; H2024-H2080 HydrophobicContact CB-CB 4.27Å; H2024-H2080 WeakPolarHBondContact CD2-CB 3Å; H2024-H2080 AromaticContact CD2-CG 3.43Å; H2024-H2080 VanDerWaalsContact CD2-CG 3.43Å; H2024-H2080 AromaticContact CD2-ND1 3.55Å; H2024-H2080 AromaticContact CG-CG 3.72Å; S2076-H2080 PolarHBondContact O-N 3Å; A2077-H2080 PolarHBondContact O-N 3.44Å; L2078-H2080 VanDerWaalsContact C-N 3.29Å; L2078-H2080 PolarHBondContact O-N 3.33Å; H2080-H2082 PolarHBondContact O-N 2.65Å; H2080-S2083 PolarHBondContact O-N 3.3Å; H2080-S2083 VanDerWaalsContact O-N 3.08Å; H2080-S2083 PolarHBondContact O-OG 2.67Å; H2080-M2084 PolarHBondContact NE2-SD 3.34Å; H2080-M2084 VanDerWaalsContact NE2-SD 3.4Å; H2080-M2084 PolarHBondContact O-N 2.97Å
2081L95Very high94.1Very high0 Ų017.9 Ų17.90%010%0.102CC..Hα-helixtrans-55-42.6175.3-66.7-170.1000111.8V2022 A2077 L2078 S2083 M2084 D2085 I2086 H2088 L2110 F2113V2022-L2081 HydrophobicContact CB-CD2 4.18Å; V2022-L2081 HydrophobicContact CG1-CD2 3.6Å; V2022-L2081 HydrophobicContact CG2-CD2 3.43Å; V2022-L2081 VanDerWaalsContact CG2-CD2 3.43Å; A2077-L2081 WeakPolarHBondContact O-CG 3.03Å; A2077-L2081 PolarHBondContact O-N 3.4Å; L2078-L2081 HydrophobicContact CD2-CD1 4.15Å; L2078-L2081 PolarHBondContact O-N 3.22Å; L2081-S2083 PolarHBondContact O-N 2.95Å; L2081-M2084 CarbonylContact O-C 3.59Å; L2081-M2084 WeakPolarHBondContact O-CA 3.15Å; L2081-M2084 PolarHBondContact O-N 2.94Å; L2081-D2085 PolarHBondContact O-N 2.82Å; L2081-I2086 CarbonylContact C-O 3.51Å; L2081-I2086 HydrophobicContact CB-CB 4.29Å; L2081-I2086 VanDerWaalsContact CB-O 3.31Å; L2081-I2086 WeakPolarHBondContact CB-O 3.48Å; L2081-I2086 HydrophobicContact CD2-CB 4.34Å; L2081-I2086 HydrophobicContact CD2-CG2 4.12Å; L2081-I2086 PolarHBondContact O-N 2.73Å; L2081-H2088 HydrophobicContact CD1-CB 4.38Å; L2081-L2110 HydrophobicContact CD1-CD2 3.72Å; L2081-F2113 HydrophobicContact CD1-CE1 3.83Å; L2081-F2113 HydrophobicContact CD1-CZ 3.7Å; L2081-F2113 HydrophobicContact CD2-CE1 3.71Å; L2081-F2113 HydrophobicContact CD2-CZ 3.87Å; L2081-F2113 HydrophobicContact CG-CE1 4.45Å; L2081-F2113 HydrophobicContact CG-CZ 4.38Å
2082H95.4Very high94Very high7 Ų719 Ų193%0.03211%0.106CC..Hα-helixtrans-75.7-9.2-177.4-64.4-171.6000113.8M1 L2078 A2079 H2080 L2145 D2148 S2217M1-H2082 PolarHBondContact N-O 2.76Å; M1-H2082 VanDerWaalsContact N-O 3.09Å; L2078-H2082 WeakPolarHBondContact O-CA 3.49Å; L2078-H2082 WeakPolarHBondContact O-CB 3.33Å; L2078-H2082 PolarHBondContact O-CD2 2.72Å; L2078-H2082 PolarHBondContact O-N 3.25Å; A2079-H2082 CarbonylContact O-C 3.27Å; A2079-H2082 PolarHBondContact O-N 3.36Å; H2080-H2082 PolarHBondContact O-N 2.65Å; H2082-L2145 HydrophobicContact CB-CB 4.39Å; H2082-L2145 HydrophobicContact CB-CD1 3.78Å; H2082-L2145 HydrophobicContact CB-CD2 4.37Å; H2082-L2145 HydrophobicContact CB-CG 4.38Å; H2082-D2148 IonicContact CD2-OD2 2.71Å; H2082-D2148 IonicContact CE1-OD2 3.88Å; H2082-D2148 IonicContact NE2-OD2 2.73Å; H2082-D2148 PolarHBondContact NE2-OD2 3.13Å; H2082-S2217 PolarHBondContact ND1-OG 3.12Å; H2082-S2217 VanDerWaalsContact ND1-OG 3.09Å
2083S93.5Very high93.9Very high90 Ų9016.7 Ų16.763%0.62910%0.096SC*.Hα-helixtrans-90.3-17.9166.776.90000112.8A2079 H2080 L2081A2079-S2083 WeakPolarHBondContact O-CB 3.25Å; A2079-S2083 PolarHBondContact O-N 3.44Å; H2080-S2083 PolarHBondContact O-N 3.3Å; H2080-S2083 VanDerWaalsContact O-N 3.08Å; H2080-S2083 PolarHBondContact O-OG 2.67Å; L2081-S2083 PolarHBondContact O-N 2.95Å
2084M91.8Very high93.7Very high46 Ų4619.8 Ų19.823%0.22711%0.11CC..THydrogen-bonded Turntrans-98.18.8175.5-61.4-178.56700112.9R2021 V2022 H2080 L2081 I2086R2021-M2084 HydrophobicContact CB-CE 3.88Å; V2022-M2084 HydrophobicContact CG2-CE 4.37Å; V2022-M2084 HydrophobicContact CG2-SD 4.13Å; H2080-M2084 PolarHBondContact NE2-SD 3.34Å; H2080-M2084 VanDerWaalsContact NE2-SD 3.4Å; H2080-M2084 PolarHBondContact O-N 2.97Å; L2081-M2084 CarbonylContact O-C 3.59Å; L2081-M2084 WeakPolarHBondContact O-CA 3.15Å; L2081-M2084 PolarHBondContact O-N 2.94Å; M2084-I2086 HydrophobicContact CB-CD1 3.99Å; M2084-I2086 HydrophobicContact CB-CG1 4.04Å; M2084-I2086 HydrophobicContact CE-CD1 4.03Å; M2084-I2086 PolarHBondContact O-N 2.84Å; M2084-I2086 HydrophobicContact SD-CD1 4.38Å
2085D92.1Very high93.5Very high47 Ų4720.3 Ų20.325%0.25111%0.113SC..THydrogen-bonded Turntrans51.736.4-167.4-82-50.4000112.6A3 L2081 E2118 L2119A3-D2085 VanDerWaalsContact CB-OD1 3.28Å; A3-D2085 WeakPolarHBondContact CB-OD1 3.36Å; A3-D2085 PolarHBondContact N-OD1 3.22Å; L2081-D2085 PolarHBondContact O-N 2.82Å; D2085-E2118 CarbonylContact O-C 3.53Å; D2085-E2118 VanDerWaalsContact O-CA 3.3Å; D2085-E2118 WeakPolarHBondContact O-CA 3.25Å; D2085-L2119 HydrophobicContact CB-CB 3.97Å; D2085-L2119 WeakPolarHBondContact O-CB 3.34Å; D2085-L2119 PolarHBondContact O-N 2.82Å
2086I91.9Very high93.4Very high0 Ų020.3 Ų20.30%011%0.113CC..EExtended strand (participates in β ladder)trans-105.8122.4175.5-62.6174.2000110.4L2018 V2022 L2081 M2084 F2113 L2145L2018-I2086 HydrophobicContact CD2-CD1 3.85Å; L2018-I2086 HydrophobicContact CD2-CG1 3.86Å; L2018-I2086 HydrophobicContact CD2-CG2 4.09Å; V2022-I2086 HydrophobicContact CG2-CD1 3.5Å; L2081-I2086 CarbonylContact C-O 3.51Å; L2081-I2086 HydrophobicContact CB-CB 4.29Å; L2081-I2086 VanDerWaalsContact CB-O 3.31Å; L2081-I2086 WeakPolarHBondContact CB-O 3.48Å; L2081-I2086 HydrophobicContact CD2-CB 4.34Å; L2081-I2086 HydrophobicContact CD2-CG2 4.12Å; L2081-I2086 PolarHBondContact O-N 2.73Å; M2084-I2086 HydrophobicContact CB-CD1 3.99Å; M2084-I2086 HydrophobicContact CB-CG1 4.04Å; M2084-I2086 HydrophobicContact CE-CD1 4.03Å; M2084-I2086 PolarHBondContact O-N 2.84Å; M2084-I2086 HydrophobicContact SD-CD1 4.38Å; I2086-F2113 HydrophobicContact CG2-CE1 4.33Å; I2086-L2145 WeakPolarHBondContact O-CD2 3.28Å
2087V93.3Very high93.3Very high0 Ų020.8 Ų20.80%011%0.113CC..EExtended strand (participates in β ladder)trans-95.6146.2168.455.50000110.4R2089 A2116 T2117 L2119 L2123 G2144 L2145 V2147 D2148V2087-R2089 HydrophobicContact CB-CG 4.13Å; V2087-R2089 HydrophobicContact CG1-CG 3.59Å; V2087-R2089 HydrophobicContact CG2-CB 4.33Å; V2087-R2089 HydrophobicContact CG2-CG 3.4Å; V2087-R2089 VanDerWaalsContact CG2-CG 3.4Å; V2087-A2116 CarbonylContact O-C 3.58Å; V2087-A2116 WeakPolarHBondContact O-CA 3.1Å; V2087-A2116 WeakPolarHBondContact O-CB 3.28Å; V2087-T2117 HydrophobicContact CG1-CG2 4.17Å; V2087-T2117 VanDerWaalsContact CG1-O 3.32Å; V2087-T2117 WeakPolarHBondContact CG1-O 3.19Å; V2087-T2117 PolarHBondContact N-O 2.93Å; V2087-T2117 PolarHBondContact O-N 2.71Å; V2087-L2119 HydrophobicContact CB-CD1 4.37Å; V2087-L2119 HydrophobicContact CG1-CD1 3.87Å; V2087-L2123 HydrophobicContact CG1-CD1 3.2Å; V2087-G2144 VanDerWaalsContact CB-O 3.31Å; V2087-G2144 WeakPolarHBondContact CB-O 3.07Å; V2087-G2144 WeakPolarHBondContact CG2-O 3.4Å; V2087-L2145 HydrophobicContact CB-CD2 4.15Å; V2087-L2145 WeakPolarHBondContact CG2-O 3.43Å; V2087-V2147 HydrophobicContact CG2-CG2 3.83Å; V2087-D2148 WeakPolarHBondContact CG2-OD1 3.2Å
2088H93.2Very high93Very high0 Ų021 Ų210%011%0.114CC..  trans-83.4-41171.5-159.1-94.1000115.1L2081 D2090 V2091 L2110 A2111 D2112 F2113 A2116 D2148L2081-H2088 HydrophobicContact CD1-CB 4.38Å; H2088-D2090 PolarHBondContact O-N 3.16Å; H2088-V2091 HydrophobicContact CB-CG2 3.72Å; H2088-L2110 HydrophobicContact CB-CD2 4.21Å; H2088-A2111 PolarHBondContact CE1-O 3.21Å; H2088-A2111 PolarHBondContact NE2-O 3.25Å; H2088-A2111 VanDerWaalsContact NE2-O 3.11Å; H2088-D2112 PolarHBondContact CE1-O 3.39Å; H2088-D2112 VanDerWaalsContact CE1-O 3.22Å; H2088-D2112 PolarHBondContact NE2-O 3.07Å; H2088-F2113 AromaticContact CD2-CD2 3.65Å; H2088-F2113 AromaticContact CD2-CE2 3.52Å; H2088-F2113 AromaticContact CD2-CG 3.98Å; H2088-F2113 AromaticContact CD2-CZ 3.72Å; H2088-F2113 AromaticContact NE2-CD2 3.34Å; H2088-F2113 VanDerWaalsContact NE2-CD2 3.34Å; H2088-F2113 WeakPolarHBondContact NE2-CD2 3.35Å; H2088-F2113 AromaticContact NE2-CE2 3.51Å; H2088-F2113 AromaticContact NE2-CG 3.92Å; H2088-A2116 WeakPolarHBondContact O-CA 3.31Å; H2088-A2116 PolarHBondContact O-N 2.69Å; H2088-D2148 WeakPolarHBondContact CB-OD1 3.44Å; H2088-D2148 PolarHBondContact N-OD1 2.91Å; H2088-D2148 PolarHBondContact N-OD2 3.18Å
2089R91.9Very high92.3Very high24 Ų2425.9 Ų25.99%0.09113%0.133CC..SBendtrans69.8-16.5175.6-54.4-158-76.3177.3-4.1116.9V2087 L2115 D2125 G2128 M2137 Y2143 D2148V2087-R2089 HydrophobicContact CB-CG 4.13Å; V2087-R2089 HydrophobicContact CG1-CG 3.59Å; V2087-R2089 HydrophobicContact CG2-CB 4.33Å; V2087-R2089 HydrophobicContact CG2-CG 3.4Å; V2087-R2089 VanDerWaalsContact CG2-CG 3.4Å; R2089-L2115 HydrophobicContact CB-CB 4.3Å; R2089-L2115 VanDerWaalsContact CZ-O 3.23Å; R2089-L2115 PolarHBondContact NE-O 3.48Å; R2089-L2115 PolarHBondContact NH2-O 2.9Å; R2089-D2125 IonicContact CZ-OD2 3.13Å; R2089-D2125 IonicContact NH1-OD2 2.74Å; R2089-D2125 PolarHBondContact NH1-OD2 3.07Å; R2089-D2125 VanDerWaalsContact NH1-OD2 3.08Å; R2089-D2125 IonicContact NH2-OD2 3.74Å; R2089-G2128 WeakPolarHBondContact O-CA 3.26Å; R2089-M2137 HydrophobicContact CB-CE 4.5Å; R2089-Y2143 VanDerWaalsContact CD-OH 3.23Å; R2089-Y2143 WeakPolarHBondContact CD-OH 3.28Å; R2089-Y2143 HydrophobicContact CG-CE2 3.84Å; R2089-Y2143 PolarHBondContact NH1-OH 3.11Å; R2089-Y2143 VanDerWaalsContact NH1-OH 3.16Å; R2089-D2148 PolarHBondContact N-OD1 2.77Å
2090D93.4Very high91.3Very high12 Ų1229 Ų296%0.06414%0.144CC..  trans-133.547.4176.4-163.428.3000109.7H2088 K2092 N2095 L2115 G2128 T2129H2088-D2090 PolarHBondContact O-N 3.16Å; D2090-K2092 PolarHBondContact O-N 3.12Å; D2090-K2092 WeakPolarHBondContact OD1-CD 3.3Å; D2090-K2092 IonicContact OD1-NZ 3.21Å; D2090-K2092 PolarHBondContact OD1-NZ 2.74Å; D2090-K2092 IonicContact OD2-NZ 2.76Å; D2090-K2092 PolarHBondContact OD2-NZ 2.93Å; D2090-N2095 PolarHBondContact O-ND2 3.1Å; D2090-N2095 PolarHBondContact OD2-ND2 3.45Å; D2090-N2095 VanDerWaalsContact OD2-ND2 3.17Å; D2090-L2115 HydrophobicContact CB-CB 4.24Å; D2090-L2115 HydrophobicContact CB-CD1 3.71Å; D2090-G2128 WeakPolarHBondContact OD1-CA 3.25Å; D2090-T2129 PolarHBondContact OD1-OG1 2.96Å
2091V94.8Very high90.1Very high3 Ų328.3 Ų28.32%0.01814%0.143CC..  trans-70.3124.7166.4-176.90000107.9L2074 L2078 H2088 L2096 L2110 D2148 A2151 I2155L2074-V2091 HydrophobicContact CD1-CG1 4.31Å; L2074-V2091 HydrophobicContact CD2-CG1 4.34Å; L2078-V2091 HydrophobicContact CD2-CG2 4.25Å; H2088-V2091 HydrophobicContact CB-CG2 3.72Å; V2091-L2096 HydrophobicContact CG1-CD1 4.39Å; V2091-L2096 HydrophobicContact CG1-CD2 4.48Å; V2091-L2110 HydrophobicContact CG2-CD1 4.15Å; V2091-D2148 HydrophobicContact CG2-CB 3.61Å; V2091-A2151 HydrophobicContact CB-CB 3.89Å; V2091-A2151 HydrophobicContact CG1-CB 4.28Å; V2091-A2151 WeakPolarHBondContact O-CB 3.19Å; V2091-I2155 HydrophobicContact CG1-CD1 3.82Å
2092K92.7Very high88.7Confident24 Ų2432.5 Ų32.510%0.10419%0.187CC..SBendtrans-166158.7179.962.7-174.5-177.7-142.50108D2090 E2094 N2095 L2096 T2129 Y2132D2090-K2092 PolarHBondContact O-N 3.12Å; D2090-K2092 WeakPolarHBondContact OD1-CD 3.3Å; D2090-K2092 IonicContact OD1-NZ 3.21Å; D2090-K2092 PolarHBondContact OD1-NZ 2.74Å; D2090-K2092 IonicContact OD2-NZ 2.76Å; D2090-K2092 PolarHBondContact OD2-NZ 2.93Å; K2092-E2094 WeakPolarHBondContact CB-OE2 3.33Å; K2092-E2094 HydrophobicContact CD-CB 4.28Å; K2092-E2094 HydrophobicContact CG-CB 4.17Å; K2092-E2094 VanDerWaalsContact CG-OE2 3.3Å; K2092-E2094 WeakPolarHBondContact CG-OE2 3.4Å; K2092-E2094 PolarHBondContact O-N 3.25Å; K2092-E2094 VanDerWaalsContact O-N 3.13Å; K2092-N2095 WeakPolarHBondContact CE-ND2 3.21Å; K2092-N2095 WeakPolarHBondContact CE-OD1 3.48Å; K2092-N2095 HydrophobicContact CG-CB 3.98Å; K2092-N2095 PolarHBondContact O-N 3.16Å; K2092-L2096 WeakPolarHBondContact O-CG 3.44Å; K2092-T2129 WeakPolarHBondContact CD-OG1 3.32Å; K2092-T2129 PolarHBondContact NZ-OG1 2.75Å; K2092-Y2132 HydrophobicContact CB-CD1 4.44Å; K2092-Y2132 HydrophobicContact CB-CD2 3.52Å; K2092-Y2132 HydrophobicContact CB-CE2 3.7Å; K2092-Y2132 HydrophobicContact CB-CG 3.92Å
2093P90.5Very high87.1Confident0 Ų038.7 Ų38.70%022%0.22CC..G310 helixtrans-52.9-35.4-178.8-26.935.5000114.6L2052 F2053 L2056 N2095 L2096 Y2132 I2155L2052-P2093 HydrophobicContact CB-CB 4Å; L2052-P2093 WeakPolarHBondContact CB-O 3.15Å; L2052-P2093 HydrophobicContact CD2-CB 4.34Å; L2052-P2093 HydrophobicContact CG-CB 4.2Å; L2052-P2093 PolarHBondContact N-O 3Å; L2052-P2093 VanDerWaalsContact N-O 3.08Å; F2053-P2093 HydrophobicContact CB-CB 3.81Å; F2053-P2093 HydrophobicContact CD2-CB 4.45Å; F2053-P2093 VanDerWaalsContact N-CB 3.35Å; F2053-P2093 PolarHBondContact N-O 2.99Å; L2056-P2093 HydrophobicContact CD1-CB 4.09Å; L2056-P2093 HydrophobicContact CD1-CG 3.88Å; P2093-N2095 PolarHBondContact O-N 2.75Å; P2093-L2096 PolarHBondContact O-N 2.78Å; P2093-Y2132 VanDerWaalsContact CD-OH 3.29Å; P2093-Y2132 WeakPolarHBondContact CD-OH 3.25Å; P2093-Y2132 HydrophobicContact CG-CE1 4.04Å; P2093-I2155 HydrophobicContact CG-CG1 3.98Å
2094E88.5Confident85.7Confident65 Ų6536.5 Ų36.530%0.30421%0.212SC..G310 helixtrans-64.7-21.1177.5-52.992.9129.300113.7F2053 K2092F2053-E2094 HydrophobicContact CB-CG 3.89Å; F2053-E2094 HydrophobicContact CD2-CG 4.33Å; F2053-E2094 HydrophobicContact CG-CG 4.13Å; K2092-E2094 WeakPolarHBondContact CB-OE2 3.33Å; K2092-E2094 HydrophobicContact CD-CB 4.28Å; K2092-E2094 HydrophobicContact CG-CB 4.17Å; K2092-E2094 VanDerWaalsContact CG-OE2 3.3Å; K2092-E2094 WeakPolarHBondContact CG-OE2 3.4Å; K2092-E2094 PolarHBondContact O-N 3.25Å; K2092-E2094 VanDerWaalsContact O-N 3.13Å
2095N92.7Very high84.4Confident14 Ų1440.7 Ų40.78%0.07523%0.225CC..G310 helixtrans-105.614.8-179.5-76.15.8000112.2D2090 K2092 P2093 A2111D2090-N2095 PolarHBondContact O-ND2 3.1Å; D2090-N2095 PolarHBondContact OD2-ND2 3.45Å; D2090-N2095 VanDerWaalsContact OD2-ND2 3.17Å; K2092-N2095 WeakPolarHBondContact CE-ND2 3.21Å; K2092-N2095 WeakPolarHBondContact CE-OD1 3.48Å; K2092-N2095 HydrophobicContact CG-CB 3.98Å; K2092-N2095 PolarHBondContact O-N 3.16Å; P2093-N2095 PolarHBondContact O-N 2.75Å; N2095-A2111 WeakPolarHBondContact CB-O 3.34Å; N2095-A2111 PolarHBondContact O-N 2.76Å
2096L93.2Very high83.5Confident0 Ų041 Ų410%023%0.225CC..EExtended strand (participates in β ladder)trans-122.692.8-177.6-68.2178.6000109D2051 L2052 L2074 V2091 K2092 P2093 I2108 L2110 I2155D2051-L2096 CarbonylContact C-O 3.56Å; D2051-L2096 WeakPolarHBondContact CA-O 2.98Å; L2052-L2096 HydrophobicContact CB-CB 3.85Å; L2052-L2096 HydrophobicContact CD2-CB 4.28Å; L2052-L2096 HydrophobicContact CD2-CD1 3.7Å; L2052-L2096 PolarHBondContact N-O 2.61Å; L2074-L2096 HydrophobicContact CD1-CD2 3.52Å; L2074-L2096 HydrophobicContact CD2-CD1 3.74Å; L2074-L2096 HydrophobicContact CD2-CD2 4.27Å; L2074-L2096 HydrophobicContact CG-CD2 4.46Å; V2091-L2096 HydrophobicContact CG1-CD1 4.39Å; V2091-L2096 HydrophobicContact CG1-CD2 4.48Å; K2092-L2096 WeakPolarHBondContact O-CG 3.44Å; P2093-L2096 PolarHBondContact O-N 2.78Å; L2096-I2108 HydrophobicContact CB-CG2 3.74Å; L2096-I2108 HydrophobicContact CD2-CG2 3.79Å; L2096-I2108 HydrophobicContact CG-CG2 4.23Å; L2096-L2110 HydrophobicContact CD2-CB 4.3Å; L2096-L2110 HydrophobicContact CD2-CD1 3.62Å; L2096-I2155 HydrophobicContact CD1-CD1 3.6Å
2097L92.9Very high83.1Confident40 Ų4043.8 Ų43.821%0.20924%0.235CC..EExtended strand (participates in β ladder)trans-80.6135.7-174.8-54.2-174.5000110.8V2028 V2047 G2050 D2051 I2108 K2109 A2111V2028-L2097 HydrophobicContact CG2-CD1 4.01Å; V2047-L2097 HydrophobicContact CB-CB 3.81Å; V2047-L2097 HydrophobicContact CB-CD1 3.93Å; V2047-L2097 HydrophobicContact CG1-CB 3.62Å; V2047-L2097 HydrophobicContact CG2-CB 4.34Å; V2047-L2097 HydrophobicContact CG2-CD1 4.21Å; G2050-L2097 CarbonylContact O-C 3.08Å; G2050-L2097 VanDerWaalsContact O-CA 3.24Å; G2050-L2097 WeakPolarHBondContact O-CA 3.43Å; D2051-L2097 HydrophobicContact CB-CD2 4.05Å; L2097-I2108 WeakPolarHBondContact O-CA 3.5Å; L2097-K2109 PolarHBondContact N-O 2.85Å; L2097-K2109 PolarHBondContact O-N 3.27Å; L2097-A2111 HydrophobicContact CD1-CB 4Å; L2097-A2111 HydrophobicContact CG-CB 3.94Å
2098I89.2Confident83Confident4 Ų443.9 Ų43.92%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-90.3127.1-179.4-64-172.5000110.6V2047 G2049 G2050 L2052 A2055 M2070 K2106 Y2107V2047-I2098 VanDerWaalsContact CG1-O 3.25Å; V2047-I2098 WeakPolarHBondContact CG1-O 3.26Å; G2049-I2098 WeakPolarHBondContact CA-O 3.38Å; G2049-I2098 PolarHBondContact N-O 3.4Å; G2050-I2098 PolarHBondContact O-N 2.88Å; L2052-I2098 HydrophobicContact CD1-CD1 4.12Å; A2055-I2098 HydrophobicContact CB-CD1 3.36Å; M2070-I2098 HydrophobicContact CE-CD1 4.11Å; I2098-K2106 HydrophobicContact CG2-CB 3.84Å; I2098-K2106 HydrophobicContact CG2-CD 4.39Å; I2098-K2106 HydrophobicContact CG2-CG 4.13Å; I2098-Y2107 CarbonylContact C-O 3.59Å; I2098-Y2107 WeakPolarHBondContact CA-O 3.07Å
2099Y83.1Confident83Confident104 Ų10444.9 Ų44.941%0.40824%0.24SC..EExtended strand (participates in β ladder)trans-104.1107.5164.1-173.8-93.2000108.6T2101 Y2107Y2099-T2101 HydrophobicContact CD1-CG2 4.22Å; Y2099-T2101 HydrophobicContact CE1-CG2 3.86Å; Y2099-Y2107 PolarHBondContact N-O 3.04Å; Y2099-Y2107 PolarHBondContact O-N 3.29Å
2100E74.3Confident83.2Confident83 Ų8343.8 Ų43.839%0.38824%0.236SC..EExtended strand (participates in β ladder)trans-89.9119.3175.3-174.8157.3-156.200108.9W2105 K2106E2100-W2105 WeakPolarHBondContact CA-O 3.05Å; E2100-K2106 HydrophobicContact CB-CG 4.29Å; E2100-K2106 HydrophobicContact CG-CG 4.08Å; E2100-K2106 WeakPolarHBondContact OE1-CE 3.43Å; E2100-K2106 IonicContact OE1-NZ 3.85Å; E2100-K2106 PolarHBondContact OE1-NZ 3.26Å; E2100-K2106 IonicContact OE2-NZ 2.89Å; E2100-K2106 PolarHBondContact OE2-NZ 3.48Å
2101T69Low83.1Confident31 Ų3143.7 Ų43.719%0.1924%0.237CC..  trans-74.4164.1171.355.80000110.7Y2099 D2103 G2104 W2105 Y2107Y2099-T2101 HydrophobicContact CD1-CG2 4.22Å; Y2099-T2101 HydrophobicContact CE1-CG2 3.86Å; T2101-D2103 PolarHBondContact O-N 2.84Å; T2101-D2103 VanDerWaalsContact O-N 3.08Å; T2101-G2104 PolarHBondContact O-N 3.12Å; T2101-W2105 PolarHBondContact N-O 3.28Å; T2101-W2105 PolarHBondContact OG1-N 3.12Å; T2101-W2105 PolarHBondContact OG1-O 3.47Å; T2101-Y2107 HydrophobicContact CG2-CD2 3.83Å; T2101-Y2107 HydrophobicContact CG2-CE2 3.43Å; T2101-Y2107 VanDerWaalsContact CG2-CE2 3.43Å
2102G65.1Low82.8Confident89 Ų8946.6 Ų46.692%0.91825%0.252SS*.THydrogen-bonded Turntrans-58.7-19.4173.100000113.8G2104G2102-G2104 VanDerWaalsContact C-N 3.29Å
2103D62.3Low82.7Confident136 Ų13645.5 Ų45.573%0.72725%0.248SC*.THydrogen-bonded Turntrans-87.26.5178.4-43.8-62.6000113.2T2101 W2105T2101-D2103 PolarHBondContact O-N 2.84Å; T2101-D2103 VanDerWaalsContact O-N 3.08Å; D2103-W2105 PolarHBondContact O-N 2.9Å
2104G64.8Low82.3Confident44 Ų4446.3 Ų46.345%0.45426%0.256SS..SBendtrans76.71.3179.400000115.3T2101 G2102 K2106T2101-G2104 PolarHBondContact O-N 3.12Å; G2102-G2104 VanDerWaalsContact C-N 3.29Å; G2104-K2106 PolarHBondContact O-N 3.12Å
2105W63.7Low82Confident134 Ų13445.7 Ų45.751%0.50825%0.254SS..  trans-74.3125173.9-71.686.8000110H2069 E2100 T2101 D2103 Y2107H2069-W2105 HydrophobicContact CB-CZ3 4.23Å; H2069-W2105 AromaticContact CG-CE3 3.95Å; H2069-W2105 AromaticContact CG-CZ3 3.91Å; H2069-W2105 AromaticContact ND1-CE3 3.85Å; H2069-W2105 AromaticContact ND1-CZ3 3.67Å; E2100-W2105 WeakPolarHBondContact CA-O 3.05Å; T2101-W2105 PolarHBondContact N-O 3.28Å; T2101-W2105 PolarHBondContact OG1-N 3.12Å; T2101-W2105 PolarHBondContact OG1-O 3.47Å; D2103-W2105 PolarHBondContact O-N 2.9Å; W2105-Y2107 HydrophobicContact CB-CD2 4.28Å; W2105-Y2107 HydrophobicContact CB-CE2 3.54Å; W2105-Y2107 WeakPolarHBondContact O-CD2 3.49Å
2106K73.5Confident81.9Confident55 Ų5545.1 Ų45.124%0.23925%0.252CS..EExtended strand (participates in β ladder)trans-102.195.9-176.8-66.3-176-166.1-106.10109.9M2070 I2098 E2100 G2104M2070-K2106 HydrophobicContact CE-CB 3.45Å; M2070-K2106 VanDerWaalsContact CE-CB 3.45Å; M2070-K2106 HydrophobicContact CE-CD 4.21Å; M2070-K2106 HydrophobicContact CE-CG 4.45Å; M2070-K2106 WeakPolarHBondContact CG-O 3.03Å; I2098-K2106 HydrophobicContact CG2-CB 3.84Å; I2098-K2106 HydrophobicContact CG2-CD 4.39Å; I2098-K2106 HydrophobicContact CG2-CG 4.13Å; E2100-K2106 HydrophobicContact CB-CG 4.29Å; E2100-K2106 HydrophobicContact CG-CG 4.08Å; E2100-K2106 WeakPolarHBondContact OE1-CE 3.43Å; E2100-K2106 IonicContact OE1-NZ 3.85Å; E2100-K2106 PolarHBondContact OE1-NZ 3.26Å; E2100-K2106 IonicContact OE2-NZ 2.89Å; E2100-K2106 PolarHBondContact OE2-NZ 3.48Å; G2104-K2106 PolarHBondContact O-N 3.12Å
2107Y83.8Confident81.7Confident57 Ų5746 Ų4622%0.22426%0.257CS..EExtended strand (participates in β ladder)trans-80.9154.1175.3-60.2-97.8000110.5Y2026 H2069 N2073 I2098 Y2099 T2101 W2105Y2026-Y2107 AromaticContact CE1-CD1 3.68Å; Y2026-Y2107 HydrophobicContact CE1-CD1 3.68Å; Y2026-Y2107 HydrophobicContact CE1-CG 4.36Å; H2069-Y2107 AromaticContact NE2-CD1 3.58Å; H2069-Y2107 AromaticContact NE2-CE1 3.29Å; H2069-Y2107 VanDerWaalsContact NE2-CE1 3.29Å; H2069-Y2107 WeakPolarHBondContact NE2-CE1 3.38Å; H2069-Y2107 AromaticContact NE2-CZ 3.92Å; N2073-Y2107 WeakPolarHBondContact OD1-CA 3.35Å; I2098-Y2107 CarbonylContact C-O 3.59Å; I2098-Y2107 WeakPolarHBondContact CA-O 3.07Å; Y2099-Y2107 PolarHBondContact N-O 3.04Å; Y2099-Y2107 PolarHBondContact O-N 3.29Å; T2101-Y2107 HydrophobicContact CG2-CD2 3.83Å; T2101-Y2107 HydrophobicContact CG2-CE2 3.43Å; T2101-Y2107 VanDerWaalsContact CG2-CE2 3.43Å; W2105-Y2107 HydrophobicContact CB-CD2 4.28Å; W2105-Y2107 HydrophobicContact CB-CE2 3.54Å; W2105-Y2107 WeakPolarHBondContact O-CD2 3.49Å
2108I90.9Very high81.4Confident2 Ų245.3 Ų45.31%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-113.3134.6177.2-63.4-172.8000111.4Y2026 L2052 M2070 N2073 L2096 L2097Y2026-I2108 WeakPolarHBondContact CB-O 3.45Å; Y2026-I2108 WeakPolarHBondContact CD1-O 3.47Å; L2052-I2108 HydrophobicContact CD1-CD1 3.9Å; L2052-I2108 HydrophobicContact CD2-CD1 3.96Å; L2052-I2108 HydrophobicContact CG-CD1 4.41Å; M2070-I2108 HydrophobicContact CB-CD1 3.64Å; M2070-I2108 HydrophobicContact CB-CG1 4.17Å; M2070-I2108 HydrophobicContact CG-CD1 3.81Å; M2070-I2108 HydrophobicContact CG-CG1 4.02Å; M2070-I2108 HydrophobicContact SD-CD1 4.09Å; N2073-I2108 HydrophobicContact CB-CB 4.35Å; N2073-I2108 PolarHBondContact OD1-N 2.68Å; L2096-I2108 HydrophobicContact CB-CG2 3.74Å; L2096-I2108 HydrophobicContact CD2-CG2 3.79Å; L2096-I2108 HydrophobicContact CG-CG2 4.23Å; L2097-I2108 WeakPolarHBondContact O-CA 3.5Å
2109K93.9Very high81.1Confident21 Ų2145.1 Ų45.19%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-115.8124170.4-76.1169.5172.1-80.60110.6E2025 Y2026 V2028 E2045 V2047 L2097E2025-K2109 PolarHBondContact O-NZ 3.46Å; Y2026-K2109 WeakPolarHBondContact O-CA 3.28Å; V2028-K2109 HydrophobicContact CG2-CB 4.05Å; E2045-K2109 WeakPolarHBondContact OE1-CE 3.4Å; E2045-K2109 IonicContact OE1-NZ 3.41Å; E2045-K2109 PolarHBondContact OE1-NZ 3.05Å; E2045-K2109 IonicContact OE2-NZ 2.85Å; E2045-K2109 PolarHBondContact OE2-NZ 3.01Å; V2047-K2109 HydrophobicContact CG1-CD 4.24Å; V2047-K2109 HydrophobicContact CG2-CB 4.35Å; V2047-K2109 HydrophobicContact CG2-CD 3.53Å; L2097-K2109 PolarHBondContact N-O 2.85Å; L2097-K2109 PolarHBondContact O-N 3.27Å
2110L95.3Very high80.8Confident1 Ų144.9 Ų44.91%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-75.1136.2178.5179.161.4000111.9Y2026 V2027 V2028 A2077 L2078 L2081 H2088 V2091 L2096 F2113Y2026-L2110 PolarHBondContact O-N 2.65Å; V2027-L2110 HydrophobicContact CG2-CB 4.48Å; V2028-L2110 PolarHBondContact N-O 3.04Å; A2077-L2110 HydrophobicContact CB-CB 4.31Å; L2078-L2110 HydrophobicContact CD2-CD2 3.55Å; L2078-L2110 HydrophobicContact CG-CD2 4.36Å; L2081-L2110 HydrophobicContact CD1-CD2 3.72Å; H2088-L2110 HydrophobicContact CB-CD2 4.21Å; V2091-L2110 HydrophobicContact CG2-CD1 4.15Å; L2096-L2110 HydrophobicContact CD2-CB 4.3Å; L2096-L2110 HydrophobicContact CD2-CD1 3.62Å; L2110-F2113 HydrophobicContact CG-CE2 4.4Å
2111A91.8Very high80.8Confident11 Ų1143.5 Ų43.59%0.09125%0.253CS..  trans-141.8166.4-170.900000113.9V2028 H2088 N2095 L2097V2028-A2111 HydrophobicContact CB-CB 4.3Å; V2028-A2111 HydrophobicContact CG2-CB 3.75Å; H2088-A2111 PolarHBondContact CE1-O 3.21Å; H2088-A2111 PolarHBondContact NE2-O 3.25Å; H2088-A2111 VanDerWaalsContact NE2-O 3.11Å; N2095-A2111 WeakPolarHBondContact CB-O 3.34Å; N2095-A2111 PolarHBondContact O-N 2.76Å; L2097-A2111 HydrophobicContact CD1-CB 4Å; L2097-A2111 HydrophobicContact CG-CB 3.94Å
2112D88.4Confident81.2Confident63 Ų6342 Ų4234%0.33724%0.244SC..  trans62.473.8-175.6-1639.2000116.2K1998 H2088 G2114K1998-D2112 IonicContact NZ-OD1 3.23Å; K1998-D2112 PolarHBondContact NZ-OD1 2.93Å; H2088-D2112 PolarHBondContact CE1-O 3.39Å; H2088-D2112 VanDerWaalsContact CE1-O 3.22Å; H2088-D2112 PolarHBondContact NE2-O 3.07Å; D2112-G2114 PolarHBondContact O-N 2.77Å; D2112-G2114 VanDerWaalsContact O-N 3.12Å; D2112-G2114 PolarHBondContact OD1-N 3.21Å; D2112-G2114 VanDerWaalsContact OD1-N 3.11Å
2113F89.8Confident81.8Confident2 Ų238 Ų381%0.00920%0.201CC..THydrogen-bonded Turntrans-77.112.4175-77.3-119.4000112.9E2015 L2018 L2019 V2022 V2027 L2081 I2086 H2088 L2110 L2115 A2116E2015-F2113 HydrophobicContact CG-CB 4.08Å; L2018-F2113 HydrophobicContact CB-CD1 4.34Å; L2019-F2113 HydrophobicContact CD1-CB 4.15Å; L2019-F2113 HydrophobicContact CD2-CB 3.92Å; L2019-F2113 HydrophobicContact CD2-CD1 3.98Å; L2019-F2113 HydrophobicContact CD2-CD2 3.47Å; L2019-F2113 VanDerWaalsContact CD2-CD2 3.47Å; L2019-F2113 HydrophobicContact CD2-CE1 4.37Å; L2019-F2113 HydrophobicContact CD2-CE2 3.91Å; L2019-F2113 HydrophobicContact CD2-CG 3.51Å; L2019-F2113 HydrophobicContact CD2-CZ 4.33Å; L2019-F2113 HydrophobicContact CG-CB 3.83Å; L2019-F2113 HydrophobicContact CG-CD1 4.39Å; L2019-F2113 HydrophobicContact CG-CD2 4.34Å; L2019-F2113 HydrophobicContact CG-CG 3.95Å; V2022-F2113 HydrophobicContact CG2-CE1 4.35Å; V2027-F2113 HydrophobicContact CG1-CE2 3.62Å; V2027-F2113 HydrophobicContact CG1-CZ 3.5Å; L2081-F2113 HydrophobicContact CD1-CE1 3.83Å; L2081-F2113 HydrophobicContact CD1-CZ 3.7Å; L2081-F2113 HydrophobicContact CD2-CE1 3.71Å; L2081-F2113 HydrophobicContact CD2-CZ 3.87Å; L2081-F2113 HydrophobicContact CG-CE1 4.45Å; L2081-F2113 HydrophobicContact CG-CZ 4.38Å; I2086-F2113 HydrophobicContact CG2-CE1 4.33Å; H2088-F2113 AromaticContact CD2-CD2 3.65Å; H2088-F2113 AromaticContact CD2-CE2 3.52Å; H2088-F2113 AromaticContact CD2-CG 3.98Å; H2088-F2113 AromaticContact CD2-CZ 3.72Å; H2088-F2113 AromaticContact NE2-CD2 3.34Å; H2088-F2113 VanDerWaalsContact NE2-CD2 3.34Å; H2088-F2113 WeakPolarHBondContact NE2-CD2 3.35Å; H2088-F2113 AromaticContact NE2-CE2 3.51Å; H2088-F2113 AromaticContact NE2-CG 3.92Å; L2110-F2113 HydrophobicContact CG-CE2 4.4Å; F2113-L2115 PolarHBondContact O-N 3.2Å; F2113-L2115 VanDerWaalsContact O-N 3.09Å; F2113-A2116 HydrophobicContact CB-CB 3.74Å; F2113-A2116 HydrophobicContact CD1-CB 3.47Å; F2113-A2116 VanDerWaalsContact CD1-CB 3.47Å; F2113-A2116 HydrophobicContact CE1-CB 4.35Å; F2113-A2116 HydrophobicContact CG-CB 3.85Å; F2113-A2116 WeakPolarHBondContact O-CB 3.28Å; F2113-A2116 PolarHBondContact O-N 2.88Å
2114G82.6Confident82.6Confident16 Ų1631.5 Ų31.517%0.16517%0.167CC..THydrogen-bonded Turntrans-64.9-9.2177.600000114.8I2011 E2015 D2112I2011-G2114 WeakPolarHBondContact CG2-O 2.97Å; E2015-G2114 VanDerWaalsContact OE2-CA 3.29Å; E2015-G2114 WeakPolarHBondContact OE2-CA 3.34Å; D2112-G2114 PolarHBondContact O-N 2.77Å; D2112-G2114 VanDerWaalsContact O-N 3.12Å; D2112-G2114 PolarHBondContact OD1-N 3.21Å; D2112-G2114 VanDerWaalsContact OD1-N 3.11Å
2115L83Confident83.1Confident52 Ų5231.7 Ų31.727%0.27216%0.157SC..SBendtrans-113.9-12165-74.2172.1000113.5R2089 D2090 F2113 C2127R2089-L2115 HydrophobicContact CB-CB 4.3Å; R2089-L2115 VanDerWaalsContact CZ-O 3.23Å; R2089-L2115 PolarHBondContact NE-O 3.48Å; R2089-L2115 PolarHBondContact NH2-O 2.9Å; D2090-L2115 HydrophobicContact CB-CB 4.24Å; D2090-L2115 HydrophobicContact CB-CD1 3.71Å; F2113-L2115 PolarHBondContact O-N 3.2Å; F2113-L2115 VanDerWaalsContact O-N 3.09Å; L2115-C2127 HydrophobicContact CD1-CB 3.79Å; L2115-C2127 HydrophobicContact CD2-CB 3.67Å; L2115-C2127 HydrophobicContact CG-CB 4.3Å
2116A89.7Confident83.9Confident3 Ų326.9 Ų26.93%0.02514%0.141CC..  trans-61.9156.5-177.700000112.5N2014 L2018 V2087 H2088 F2113N2014-A2116 PolarHBondContact ND2-O 3.46Å; L2018-A2116 HydrophobicContact CD1-CB 3.76Å; L2018-A2116 VanDerWaalsContact CD1-O 3.25Å; L2018-A2116 WeakPolarHBondContact CD1-O 3.39Å; V2087-A2116 CarbonylContact O-C 3.58Å; V2087-A2116 WeakPolarHBondContact O-CA 3.1Å; V2087-A2116 WeakPolarHBondContact O-CB 3.28Å; H2088-A2116 WeakPolarHBondContact O-CA 3.31Å; H2088-A2116 PolarHBondContact O-N 2.69Å; F2113-A2116 HydrophobicContact CB-CB 3.74Å; F2113-A2116 HydrophobicContact CD1-CB 3.47Å; F2113-A2116 VanDerWaalsContact CD1-CB 3.47Å; F2113-A2116 HydrophobicContact CE1-CB 4.35Å; F2113-A2116 HydrophobicContact CG-CB 3.85Å; F2113-A2116 WeakPolarHBondContact O-CB 3.28Å; F2113-A2116 PolarHBondContact O-N 2.88Å
2117T88Confident84Confident19 Ų1924.9 Ų24.912%0.11713%0.134CC..EExtended strand (participates in β ladder)trans-163.4157.2170.7-171.10000113.3N2014 V2087 L2123N2014-T2117 WeakPolarHBondContact ND2-CB 3.31Å; N2014-T2117 PolarHBondContact ND2-OG1 2.94Å; V2087-T2117 HydrophobicContact CG1-CG2 4.17Å; V2087-T2117 VanDerWaalsContact CG1-O 3.32Å; V2087-T2117 WeakPolarHBondContact CG1-O 3.19Å; V2087-T2117 PolarHBondContact N-O 2.93Å; V2087-T2117 PolarHBondContact O-N 2.71Å; T2117-L2123 HydrophobicContact CG2-CD1 3.09Å; T2117-L2123 HydrophobicContact CG2-CD2 3.41Å; T2117-L2123 VanDerWaalsContact CG2-CD2 3.41Å; T2117-L2123 HydrophobicContact CG2-CG 3.78Å
2118E87.1Confident83.7Confident25 Ų2523.2 Ų23.212%0.11713%0.134CC..EExtended strand (participates in β ladder)trans-73.9142.1172.9-175.5168.3-145.700111R2017 L2018 R2021 D2085R2017-E2118 IonicContact CZ-OE2 3.79Å; R2017-E2118 IonicContact NE-OE2 3.19Å; R2017-E2118 PolarHBondContact NE-OE2 3.39Å; R2017-E2118 IonicContact NH2-OE2 2.67Å; R2017-E2118 PolarHBondContact NH2-OE2 3.1Å; L2018-E2118 HydrophobicContact CD2-CB 4.05Å; R2021-E2118 IonicContact CZ-OE1 2.69Å; R2021-E2118 IonicContact CZ-OE2 3.28Å; R2021-E2118 IonicContact NH1-OE1 2.61Å; R2021-E2118 PolarHBondContact NH1-OE1 2.79Å; R2021-E2118 IonicContact NH1-OE2 3.33Å; R2021-E2118 PolarHBondContact NH1-OE2 3.39Å; R2021-E2118 IonicContact NH2-OE1 2.75Å; R2021-E2118 PolarHBondContact NH2-OE1 2.8Å; D2085-E2118 CarbonylContact O-C 3.53Å; D2085-E2118 VanDerWaalsContact O-CA 3.3Å; D2085-E2118 WeakPolarHBondContact O-CA 3.25Å
2119L84.2Confident83.2Confident0 Ų025.2 Ų25.20%015%0.146CC..  trans-106.846.2-161.5-15090000113.2E2 A3 D2085 V2087 D2121 P2122 L2123 L2145E2-L2119 HydrophobicContact CB-CD2 3.63Å; E2-L2119 HydrophobicContact CG-CD2 3.95Å; A3-L2119 WeakPolarHBondContact CB-O 3.37Å; A3-L2119 WeakPolarHBondContact O-CD2 3.31Å; D2085-L2119 HydrophobicContact CB-CB 3.97Å; D2085-L2119 WeakPolarHBondContact O-CB 3.34Å; D2085-L2119 PolarHBondContact O-N 2.82Å; V2087-L2119 HydrophobicContact CB-CD1 4.37Å; V2087-L2119 HydrophobicContact CG1-CD1 3.87Å; L2119-D2121 PolarHBondContact O-N 2.96Å; L2119-P2122 HydrophobicContact CD1-CB 3.71Å; L2119-P2122 HydrophobicContact CD2-CB 3.84Å; L2119-P2122 HydrophobicContact CD2-CG 4.05Å; L2119-P2122 HydrophobicContact CG-CB 3.67Å; L2119-P2122 HydrophobicContact CG-CG 4.22Å; L2119-L2123 HydrophobicContact CD1-CD1 3.49Å; L2119-L2123 VanDerWaalsContact CD1-CD1 3.49Å; L2119-L2123 HydrophobicContact CD1-CG 3.9Å; L2119-L2145 HydrophobicContact CD2-CG 4.08Å
2120N75.4Confident82.7Confident98 Ų9826.3 Ų26.352%0.52416%0.156SC..SBendtrans-52.3-46.8178.1-47.7-82.5000110.8
2121D73.9Confident82.4Confident54 Ų5428 Ų2829%0.28917%0.166SC..SBendtrans-136143.5160.5-44.4-80.5000106.2I78 T80 L2119I78-D2121 HydrophobicContact CG2-CB 3.88Å; I78-D2121 WeakPolarHBondContact CG2-OD1 3.25Å; T80-D2121 HydrophobicContact CG2-CB 3.16Å; L2119-D2121 PolarHBondContact O-N 2.96Å
2122P77.7Confident82.4Confident0 Ų028.6 Ų28.60%017%0.166CC..  trans-77.3-176.7-170.312.7-3.3000114.5A3 V4 Y9 T80 H83 Y85 L2119A3-P2122 WeakPolarHBondContact O-CD 3.3Å; A3-P2122 VanDerWaalsContact O-CG 3.28Å; A3-P2122 WeakPolarHBondContact O-CG 3.26Å; V4-P2122 HydrophobicContact CB-CG 4.23Å; V4-P2122 HydrophobicContact CG1-CG 3.83Å; V4-P2122 HydrophobicContact CG2-CG 3.86Å; Y9-P2122 HydrophobicContact CE1-CB 4.46Å; Y9-P2122 HydrophobicContact CE1-CG 3.72Å; T80-P2122 WeakPolarHBondContact CG2-O 3.28Å; T80-P2122 PolarHBondContact OG1-O 3.01Å; H83-P2122 WeakPolarHBondContact CB-O 3.38Å; H83-P2122 PolarHBondContact N-O 3.22Å; Y85-P2122 HydrophobicContact CD2-CG 4.33Å; Y85-P2122 HydrophobicContact CE1-CB 4.35Å; Y85-P2122 HydrophobicContact CE1-CG 3.77Å; Y85-P2122 HydrophobicContact CE2-CB 3.91Å; Y85-P2122 HydrophobicContact CE2-CG 3.49Å; Y85-P2122 VanDerWaalsContact CE2-CG 3.49Å; Y85-P2122 WeakPolarHBondContact OH-CA 3.48Å; Y85-P2122 WeakPolarHBondContact OH-CB 3.34Å; Y85-P2122 VanDerWaalsContact OH-CG 3.26Å; Y85-P2122 WeakPolarHBondContact OH-CG 3.26Å; L2119-P2122 HydrophobicContact CD1-CB 3.71Å; L2119-P2122 HydrophobicContact CD2-CB 3.84Å; L2119-P2122 HydrophobicContact CD2-CG 4.05Å; L2119-P2122 HydrophobicContact CG-CB 3.67Å; L2119-P2122 HydrophobicContact CG-CG 4.22Å
2123L78.3Confident82.6Confident4 Ų425.8 Ų25.82%0.02115%0.151CC..  trans-130.984.5-136.3-51.4155.4000121.8S82 H83 Y85 V2087 T2117 L2119 D2125 Y2143S82-L2123 VanDerWaalsContact CB-C 3.41Å; S82-L2123 WeakPolarHBondContact OG-CA 3.45Å; S82-L2123 WeakPolarHBondContact OG-CB 3.48Å; S82-L2123 WeakPolarHBondContact OG-CD2 3.28Å; H83-L2123 PolarHBondContact CE1-O 2.79Å; H83-L2123 WeakPolarHBondContact ND1-CA 3.12Å; H83-L2123 PolarHBondContact ND1-N 3.29Å; H83-L2123 PolarHBondContact ND1-O 2.83Å; Y85-L2123 PolarHBondContact OH-N 2.97Å; V2087-L2123 HydrophobicContact CG1-CD1 3.2Å; T2117-L2123 HydrophobicContact CG2-CD1 3.09Å; T2117-L2123 HydrophobicContact CG2-CD2 3.41Å; T2117-L2123 VanDerWaalsContact CG2-CD2 3.41Å; T2117-L2123 HydrophobicContact CG2-CG 3.78Å; L2119-L2123 HydrophobicContact CD1-CD1 3.49Å; L2119-L2123 VanDerWaalsContact CD1-CD1 3.49Å; L2119-L2123 HydrophobicContact CD1-CG 3.9Å; L2123-D2125 VanDerWaalsContact C-N 3.29Å; L2123-D2125 PolarHBondContact O-N 3.29Å; L2123-Y2143 HydrophobicContact CB-CE2 4.12Å; L2123-Y2143 PolarHBondContact N-O 2.82Å; L2123-Y2143 VanDerWaalsContact N-O 3.08Å; L2123-Y2143 VanDerWaalsContact O-CE1 3.29Å; L2123-Y2143 WeakPolarHBondContact O-CE1 3.5Å; L2123-Y2143 PolarHBondContact O-OH 2.85Å
2124F78.9Confident82.6Confident1 Ų125.7 Ų25.70%0.00415%0.151CC..  trans-51.677173.6-92.6-165.5000111.1I41 T42 K43 L46 L53 S82 H83 V84I41-F2124 HydrophobicContact CB-CE2 4.25Å; I41-F2124 VanDerWaalsContact N-CE2 3.33Å; I41-F2124 WeakPolarHBondContact O-CD2 3.46Å; I41-F2124 WeakPolarHBondContact O-CE1 3.18Å; I41-F2124 WeakPolarHBondContact O-CE2 3.21Å; I41-F2124 WeakPolarHBondContact O-CZ 3.25Å; T42-F2124 VanDerWaalsContact C-CG 3.43Å; T42-F2124 VanDerWaalsContact CA-CD2 3.44Å; T42-F2124 HydrophobicContact CG2-CB 4.44Å; K43-F2124 HydrophobicContact CB-CB 3.76Å; K43-F2124 HydrophobicContact CB-CD1 3.3Å; K43-F2124 HydrophobicContact CB-CE1 4.11Å; K43-F2124 HydrophobicContact CB-CG 4.02Å; K43-F2124 WeakPolarHBondContact CB-O 3.28Å; K43-F2124 HydrophobicContact CD-CB 4.37Å; K43-F2124 HydrophobicContact CD-CD1 3.4Å; K43-F2124 HydrophobicContact CD-CE1 3.94Å; K43-F2124 HydrophobicContact CD-CG 4.41Å; K43-F2124 VanDerWaalsContact CE-CE1 3.46Å; K43-F2124 HydrophobicContact CG-CB 4.48Å; K43-F2124 HydrophobicContact CG-CD1 3.29Å; K43-F2124 HydrophobicContact CG-CE1 3.74Å; K43-F2124 HydrophobicContact CG-CG 4.4Å; K43-F2124 VanDerWaalsContact N-CB 3.25Å; K43-F2124 VanDerWaalsContact N-CG 3.27Å; L46-F2124 HydrophobicContact CD1-CD1 4.49Å; L46-F2124 HydrophobicContact CD1-CE1 3.65Å; L46-F2124 HydrophobicContact CD1-CZ 3.72Å; L46-F2124 HydrophobicContact CD2-CE1 3.88Å; L46-F2124 HydrophobicContact CG-CE1 4.37Å; L53-F2124 HydrophobicContact CD2-CE1 4.39Å; L53-F2124 HydrophobicContact CD2-CE2 4.2Å; L53-F2124 HydrophobicContact CD2-CZ 3.44Å; L53-F2124 VanDerWaalsContact CD2-CZ 3.44Å; S82-F2124 WeakPolarHBondContact O-CB 3.43Å; S82-F2124 WeakPolarHBondContact O-CD1 3.23Å; S82-F2124 WeakPolarHBondContact O-CG 3.21Å; H83-F2124 HydrophobicContact CB-CB 4.08Å; H83-F2124 HydrophobicContact CB-CD2 3.53Å; H83-F2124 HydrophobicContact CB-CE2 4.45Å; H83-F2124 HydrophobicContact CB-CG 4.05Å; H83-F2124 VanDerWaalsContact CB-N 3.29Å; H83-F2124 WeakPolarHBondContact CD2-CA 3.2Å; H83-F2124 AromaticContact CD2-CD2 3.25Å; H83-F2124 WeakPolarHBondContact CD2-CD2 3.32Å; H83-F2124 AromaticContact CD2-CG 3.75Å; H83-F2124 PolarHBondContact CD2-N 3.1Å; H83-F2124 VanDerWaalsContact CD2-N 3.26Å; H83-F2124 AromaticContact CG-CD2 3.63Å; H83-F2124 PolarHBondContact ND1-N 2.81Å; V84-F2124 VanDerWaalsContact CA-CE2 3.49Å; V84-F2124 HydrophobicContact CB-CD2 4.26Å; V84-F2124 HydrophobicContact CB-CE1 4.26Å; V84-F2124 HydrophobicContact CB-CE2 3.27Å; V84-F2124 HydrophobicContact CB-CZ 3.31Å; V84-F2124 HydrophobicContact CG2-CD1 4.32Å; V84-F2124 HydrophobicContact CG2-CD2 4.33Å; V84-F2124 HydrophobicContact CG2-CE1 3.55Å; V84-F2124 HydrophobicContact CG2-CE2 3.49Å; V84-F2124 VanDerWaalsContact CG2-CE2 3.49Å; V84-F2124 HydrophobicContact CG2-CZ 3.07Å
2125D75.9Confident82.9Confident47 Ų4725 Ų2525%0.25114%0.143SC..  trans-144.6116.9165.6-84.8-59.2000109.7K44 R2089 L2123 C2127 Y2143K44-D2125 WeakPolarHBondContact CE-OD1 3.38Å; K44-D2125 IonicContact NZ-OD1 2.93Å; K44-D2125 PolarHBondContact NZ-OD1 2.84Å; K44-D2125 VanDerWaalsContact NZ-OD1 3.17Å; R2089-D2125 IonicContact CZ-OD2 3.13Å; R2089-D2125 IonicContact NH1-OD2 2.74Å; R2089-D2125 PolarHBondContact NH1-OD2 3.07Å; R2089-D2125 VanDerWaalsContact NH1-OD2 3.08Å; R2089-D2125 IonicContact NH2-OD2 3.74Å; L2123-D2125 VanDerWaalsContact C-N 3.29Å; L2123-D2125 PolarHBondContact O-N 3.29Å; D2125-C2127 VanDerWaalsContact C-N 3.32Å; D2125-C2127 PolarHBondContact O-N 2.99Å; D2125-C2127 PolarHBondContact O-SG 3.06Å; D2125-Y2143 WeakPolarHBondContact O-CE1 3.41Å; D2125-Y2143 VanDerWaalsContact O-CZ 3.27Å; D2125-Y2143 PolarHBondContact O-OH 3.42Å
2126I79.1Confident83.1Confident34 Ų3422.5 Ų22.517%0.17413%0.13CC..  trans-70.599.5163-53.1-164.5000107.4T42 K44 N45 M2137 E2140T42-I2126 HydrophobicContact CG2-CB 4.45Å; T42-I2126 HydrophobicContact CG2-CD1 4.4Å; T42-I2126 HydrophobicContact CG2-CG1 3.44Å; T42-I2126 VanDerWaalsContact CG2-CG1 3.44Å; T42-I2126 VanDerWaalsContact CG2-N 3.32Å; K44-I2126 HydrophobicContact CB-CB 4.35Å; K44-I2126 HydrophobicContact CB-CG1 4.28Å; K44-I2126 HydrophobicContact CD-CB 4.2Å; K44-I2126 VanDerWaalsContact CD-O 3.28Å; K44-I2126 WeakPolarHBondContact CD-O 3.17Å; K44-I2126 PolarHBondContact NZ-O 3.46Å; N45-I2126 WeakPolarHBondContact ND2-CD1 3.5Å; N45-I2126 WeakPolarHBondContact OD1-CD1 3.17Å; I2126-M2137 VanDerWaalsContact CD1-O 3.28Å; I2126-M2137 WeakPolarHBondContact CD1-O 3.49Å; I2126-M2137 VanDerWaalsContact CG1-O 3.29Å; I2126-M2137 WeakPolarHBondContact CG1-O 3.5Å; I2126-E2140 HydrophobicContact CD1-CG 4.4Å
2127C77.3Confident82.9Confident12 Ų1222.4 Ų22.48%0.08113%0.13CC..  trans-133.7-176.9170.154.10000107.1L2115 D2125 M2137 Y2143L2115-C2127 HydrophobicContact CD1-CB 3.79Å; L2115-C2127 HydrophobicContact CD2-CB 3.67Å; L2115-C2127 HydrophobicContact CG-CB 4.3Å; D2125-C2127 VanDerWaalsContact C-N 3.32Å; D2125-C2127 PolarHBondContact O-N 2.99Å; D2125-C2127 PolarHBondContact O-SG 3.06Å; C2127-M2137 VanDerWaalsContact O-CE 3.25Å; C2127-M2137 WeakPolarHBondContact O-CE 3.28Å; C2127-Y2143 PolarHBondContact SG-OH 3.48Å; C2127-Y2143 VanDerWaalsContact SG-OH 3.36Å
2128G77.1Confident82.7Confident23 Ų2321.7 Ų21.724%0.23713%0.125CC..SBendtrans82.6175-162.100000112R2089 D2090R2089-G2128 WeakPolarHBondContact O-CA 3.26Å; D2090-G2128 WeakPolarHBondContact OD1-CA 3.25Å
2129T79.5Confident82.2Confident43 Ų4320.5 Ų20.526%0.26412%0.119SC..  trans-107.3121.8-172-580000109.6D2090 K2092 T2131 Y2132 V2133D2090-T2129 PolarHBondContact OD1-OG1 2.96Å; K2092-T2129 WeakPolarHBondContact CD-OG1 3.32Å; K2092-T2129 PolarHBondContact NZ-OG1 2.75Å; T2129-T2131 VanDerWaalsContact C-N 3.33Å; T2129-T2131 PolarHBondContact O-N 3Å; T2129-Y2132 HydrophobicContact CG2-CD2 4.37Å; T2129-Y2132 HydrophobicContact CG2-CE2 4.48Å; T2129-Y2132 PolarHBondContact O-N 3.4Å; T2129-V2133 WeakPolarHBondContact O-CG2 3.3Å; T2129-V2133 PolarHBondContact O-N 3.27Å
2130P84Confident81.7Confident44 Ų4420.5 Ų20.529%0.28612%0.119SC..THydrogen-bonded Turntrans-34-47.5-159.1-40.737.2000119Y2132 V2133 L2176 F2177 I2180P2130-Y2132 VanDerWaalsContact C-N 3.33Å; P2130-Y2132 PolarHBondContact O-N 3.29Å; P2130-V2133 WeakPolarHBondContact O-CB 3.13Å; P2130-V2133 PolarHBondContact O-N 3.49Å; P2130-L2176 HydrophobicContact CB-CD2 4.01Å; P2130-F2177 HydrophobicContact CB-CE1 4.1Å; P2130-I2180 VanDerWaalsContact O-CD1 3.3Å; P2130-I2180 WeakPolarHBondContact O-CD1 3.33Å
2131T88.2Confident80.7Confident37 Ų3715.9 Ų15.923%0.2279%0.094CC..THydrogen-bonded Turntrans-64.8-30.3-178.3-45.60000114.4T2129 V2154 P2164T2129-T2131 VanDerWaalsContact C-N 3.33Å; T2129-T2131 PolarHBondContact O-N 3Å; T2131-V2154 HydrophobicContact CG2-CG1 4.49Å; T2131-P2164 HydrophobicContact CG2-CB 3.55Å; T2131-P2164 HydrophobicContact CG2-CG 3.95Å
2132Y93.1Very high80.6Confident24 Ų2413.3 Ų13.39%0.0948%0.081CC..THydrogen-bonded Turntrans-99.9-8.5-178.9-46-78.8000112.5K2092 P2093 T2129 P2130 A2134 V2154 I2155 I2158K2092-Y2132 HydrophobicContact CB-CD1 4.44Å; K2092-Y2132 HydrophobicContact CB-CD2 3.52Å; K2092-Y2132 HydrophobicContact CB-CE2 3.7Å; K2092-Y2132 HydrophobicContact CB-CG 3.92Å; P2093-Y2132 VanDerWaalsContact CD-OH 3.29Å; P2093-Y2132 WeakPolarHBondContact CD-OH 3.25Å; P2093-Y2132 HydrophobicContact CG-CE1 4.04Å; T2129-Y2132 HydrophobicContact CG2-CD2 4.37Å; T2129-Y2132 HydrophobicContact CG2-CE2 4.48Å; T2129-Y2132 PolarHBondContact O-N 3.4Å; P2130-Y2132 VanDerWaalsContact C-N 3.33Å; P2130-Y2132 PolarHBondContact O-N 3.29Å; Y2132-A2134 PolarHBondContact O-N 2.61Å; Y2132-A2134 VanDerWaalsContact O-N 3.16Å; Y2132-V2154 HydrophobicContact CD1-CB 4.11Å; Y2132-V2154 HydrophobicContact CD1-CG1 3.46Å; Y2132-V2154 VanDerWaalsContact CD1-CG1 3.46Å; Y2132-V2154 HydrophobicContact CE1-CG1 3.82Å; Y2132-V2154 HydrophobicContact CG-CG1 4.46Å; Y2132-I2155 HydrophobicContact CD1-CG1 4.28Å; Y2132-I2155 HydrophobicContact CE1-CG1 4.27Å; Y2132-I2158 HydrophobicContact CE1-CD1 3.77Å
2133V91.2Very high80.9Confident4 Ų413.3 Ų13.32%0.0248%0.081CC..  trans-62.1118.5176.8-174.60000107.7T2129 P2130 M2137 L2138T2129-V2133 WeakPolarHBondContact O-CG2 3.3Å; T2129-V2133 PolarHBondContact O-N 3.27Å; P2130-V2133 WeakPolarHBondContact O-CB 3.13Å; P2130-V2133 PolarHBondContact O-N 3.49Å; V2133-M2137 HydrophobicContact CB-SD 4.25Å; V2133-M2137 HydrophobicContact CG1-CB 3.44Å; V2133-M2137 VanDerWaalsContact CG1-CB 3.44Å; V2133-M2137 HydrophobicContact CG1-CG 3.64Å; V2133-M2137 HydrophobicContact CG1-SD 3.52Å; V2133-M2137 VanDerWaalsContact CG1-SD 3.52Å; V2133-L2138 HydrophobicContact CB-CD2 4Å; V2133-L2138 HydrophobicContact CB-CG 4.09Å; V2133-L2138 HydrophobicContact CG1-CD2 3.52Å; V2133-L2138 HydrophobicContact CG1-CG 3.59Å
2134A91.5Very high81.3Confident0 Ų013.1 Ų13.10%08%0.08CC..  trans-69.8156.5-179.800000111.2Y2132 E2136 M2137 L2138 V2147 W2150Y2132-A2134 PolarHBondContact O-N 2.61Å; Y2132-A2134 VanDerWaalsContact O-N 3.16Å; A2134-E2136 HydrophobicContact CB-CG 3.67Å; A2134-E2136 WeakPolarHBondContact CB-OE1 3.21Å; A2134-E2136 PolarHBondContact O-N 3.29Å; A2134-M2137 HydrophobicContact CB-CG 4.41Å; A2134-M2137 WeakPolarHBondContact O-CG 3.46Å; A2134-M2137 PolarHBondContact O-N 2.88Å; A2134-L2138 PolarHBondContact O-N 3.35Å; A2134-V2147 HydrophobicContact CB-CB 4.13Å; A2134-V2147 HydrophobicContact CB-CG1 3.54Å; A2134-W2150 HydrophobicContact CB-CB 3.5Å; A2134-W2150 VanDerWaalsContact CB-CB 3.5Å; A2134-W2150 VanDerWaalsContact CB-CD1 3.4Å; A2134-W2150 HydrophobicContact CB-CD2 4.16Å; A2134-W2150 HydrophobicContact CB-CG 3.4Å
2135P87.6Confident82Confident0 Ų013 Ų130%08%0.08CC..Hα-helixtrans-51.1-49.2-174.5-24.531.3000110.6H17 M2137 L2138 A2139 W2150 I2180 L2209H17-P2135 VanDerWaalsContact CE1-CA 3.46Å; H17-P2135 WeakPolarHBondContact CE1-CA 3.32Å; H17-P2135 WeakPolarHBondContact CE1-CB 3.3Å; H17-P2135 PolarHBondContact CE1-O 3.14Å; H17-P2135 WeakPolarHBondContact ND1-CB 3.29Å; P2135-M2137 PolarHBondContact O-N 3.45Å; P2135-L2138 PolarHBondContact O-N 2.94Å; P2135-A2139 PolarHBondContact O-N 3.43Å; P2135-A2139 VanDerWaalsContact O-N 3.13Å; P2135-W2150 VanDerWaalsContact CD-CD2 3.48Å; P2135-W2150 VanDerWaalsContact CD-CE2 3.47Å; P2135-W2150 HydrophobicContact CG-CD2 4.23Å; P2135-W2150 HydrophobicContact CG-CE3 4Å; P2135-W2150 HydrophobicContact CG-CH2 3.4Å; P2135-W2150 HydrophobicContact CG-CZ2 3.69Å; P2135-W2150 HydrophobicContact CG-CZ3 3.6Å; P2135-I2180 HydrophobicContact CB-CG2 4.28Å; P2135-I2180 HydrophobicContact CG-CG2 3.93Å; P2135-L2209 HydrophobicContact CB-CD1 3.95Å; P2135-L2209 HydrophobicContact CG-CD1 3.84Å
2136E87.8Confident82.9Confident0 Ų011 Ų110%07%0.068CC..Hα-helixtrans-46.2-23171.949.9-102.9-141.800118.2K11 V22 F24 A2134 G2141 G2142 V2147K11-E2136 HydrophobicContact CD-CG 3.86Å; K11-E2136 WeakPolarHBondContact CD-OE1 3.37Å; V22-E2136 HydrophobicContact CB-CB 4.41Å; V22-E2136 HydrophobicContact CG1-CB 4.03Å; F24-E2136 HydrophobicContact CE1-CB 3.69Å; F24-E2136 HydrophobicContact CZ-CB 3.64Å; A2134-E2136 HydrophobicContact CB-CG 3.67Å; A2134-E2136 WeakPolarHBondContact CB-OE1 3.21Å; A2134-E2136 PolarHBondContact O-N 3.29Å; E2136-G2141 PolarHBondContact O-N 3.34Å; E2136-G2142 WeakPolarHBondContact O-CA 3.45Å; E2136-G2142 PolarHBondContact O-N 3.15Å; E2136-V2147 HydrophobicContact CG-CG1 3.77Å
2137M86.3Confident83.6Confident2 Ų29.6 Ų9.61%0.016%0.061CC..Hα-helixtrans-87.7-46.9171.1-18.3177.166.600110.1R2089 I2126 C2127 V2133 A2134 P2135 E2140 Y2143 V2147R2089-M2137 HydrophobicContact CB-CE 4.5Å; I2126-M2137 VanDerWaalsContact CD1-O 3.28Å; I2126-M2137 WeakPolarHBondContact CD1-O 3.49Å; I2126-M2137 VanDerWaalsContact CG1-O 3.29Å; I2126-M2137 WeakPolarHBondContact CG1-O 3.5Å; C2127-M2137 VanDerWaalsContact O-CE 3.25Å; C2127-M2137 WeakPolarHBondContact O-CE 3.28Å; V2133-M2137 HydrophobicContact CB-SD 4.25Å; V2133-M2137 HydrophobicContact CG1-CB 3.44Å; V2133-M2137 VanDerWaalsContact CG1-CB 3.44Å; V2133-M2137 HydrophobicContact CG1-CG 3.64Å; V2133-M2137 HydrophobicContact CG1-SD 3.52Å; V2133-M2137 VanDerWaalsContact CG1-SD 3.52Å; A2134-M2137 HydrophobicContact CB-CG 4.41Å; A2134-M2137 WeakPolarHBondContact O-CG 3.46Å; A2134-M2137 PolarHBondContact O-N 2.88Å; P2135-M2137 PolarHBondContact O-N 3.45Å; M2137-E2140 PolarHBondContact O-N 3.48Å; M2137-Y2143 HydrophobicContact CB-CD1 3.46Å; M2137-Y2143 VanDerWaalsContact CB-CD1 3.46Å; M2137-Y2143 HydrophobicContact CB-CE1 3.67Å; M2137-Y2143 HydrophobicContact CB-CG 4.41Å; M2137-Y2143 HydrophobicContact CE-CD1 3.84Å; M2137-Y2143 HydrophobicContact CE-CD2 4.05Å; M2137-Y2143 HydrophobicContact CE-CE1 3.43Å; M2137-Y2143 VanDerWaalsContact CE-CE1 3.43Å; M2137-Y2143 HydrophobicContact CE-CE2 3.74Å; M2137-Y2143 HydrophobicContact CE-CG 4.14Å; M2137-Y2143 HydrophobicContact CG-CD1 3.36Å; M2137-Y2143 HydrophobicContact CG-CE1 3.83Å; M2137-Y2143 HydrophobicContact CG-CG 3.83Å; M2137-Y2143 HydrophobicContact SD-CD1 4.36Å; M2137-Y2143 HydrophobicContact SD-CE1 4.45Å; M2137-V2147 HydrophobicContact CE-CG1 4.29Å; M2137-V2147 HydrophobicContact CG-CG1 3.55Å; M2137-V2147 HydrophobicContact SD-CB 4.15Å; M2137-V2147 HydrophobicContact SD-CG1 3.57Å; M2137-V2147 VanDerWaalsContact SD-CG1 3.57Å
2138L83.8Confident84.5Confident4 Ų49 Ų92%0.0216%0.057CC..Hα-helixtrans-64.2-64.3-173.5-67.7-176000114.3N45 V2133 A2134 P2135 E2140 F2177 I2180 L2181N45-L2138 PolarHBondContact ND2-O 2.9Å; N45-L2138 VanDerWaalsContact ND2-O 3.07Å; V2133-L2138 HydrophobicContact CB-CD2 4Å; V2133-L2138 HydrophobicContact CB-CG 4.09Å; V2133-L2138 HydrophobicContact CG1-CD2 3.52Å; V2133-L2138 HydrophobicContact CG1-CG 3.59Å; A2134-L2138 PolarHBondContact O-N 3.35Å; P2135-L2138 PolarHBondContact O-N 2.94Å; L2138-E2140 WeakPolarHBondContact O-CG 3.49Å; L2138-E2140 PolarHBondContact O-N 3.45Å; L2138-E2140 VanDerWaalsContact O-N 3.1Å; L2138-F2177 HydrophobicContact CD1-CB 4.09Å; L2138-F2177 HydrophobicContact CD1-CD1 3.49Å; L2138-F2177 VanDerWaalsContact CD1-CD1 3.49Å; L2138-F2177 HydrophobicContact CD1-CE1 4.08Å; L2138-F2177 HydrophobicContact CD1-CG 3.9Å; L2138-F2177 HydrophobicContact CD2-CD1 3.52Å; L2138-F2177 HydrophobicContact CD2-CD2 4.2Å; L2138-F2177 HydrophobicContact CD2-CE1 3.27Å; L2138-F2177 HydrophobicContact CD2-CE2 3.99Å; L2138-F2177 HydrophobicContact CD2-CG 3.98Å; L2138-F2177 HydrophobicContact CD2-CZ 3.52Å; L2138-F2177 HydrophobicContact CG-CD1 4.14Å; L2138-F2177 HydrophobicContact CG-CE1 4.33Å; L2138-F2177 HydrophobicContact CG-CG 4.47Å; L2138-I2180 HydrophobicContact CD1-CB 3.78Å; L2138-I2180 HydrophobicContact CD1-CD1 3.76Å; L2138-I2180 HydrophobicContact CD1-CG1 4.37Å; L2138-I2180 HydrophobicContact CD1-CG2 3.58Å; L2138-L2181 HydrophobicContact CB-CD2 3.51Å; L2138-L2181 HydrophobicContact CD1-CD2 4Å; L2138-L2181 HydrophobicContact CG-CD2 4.44Å
2139A74.6Confident85.4Confident0 Ų07.9 Ų7.90%05%0.046CC..THydrogen-bonded Turntrans-82.530.5172.300000111H17 G18 A19 F20 A21 V22 P2135 G2141 L2181H17-A2139 WeakPolarHBondContact CE1-CB 3.24Å; H17-A2139 WeakPolarHBondContact NE2-CB 2.97Å; G18-A2139 WeakPolarHBondContact O-CB 3.2Å; A19-A2139 VanDerWaalsContact C-CB 3.41Å; A19-A2139 WeakPolarHBondContact O-CA 3.46Å; F20-A2139 CarbonylContact C-O 3.53Å; F20-A2139 VanDerWaalsContact CA-O 3.28Å; F20-A2139 WeakPolarHBondContact CA-O 3.5Å; A21-A2139 CarbonylContact C-O 3.57Å; A21-A2139 WeakPolarHBondContact CA-O 3.27Å; A21-A2139 PolarHBondContact N-O 3.16Å; V22-A2139 HydrophobicContact CG2-CB 3.84Å; V22-A2139 VanDerWaalsContact CG2-O 3.31Å; V22-A2139 WeakPolarHBondContact CG2-O 3.47Å; P2135-A2139 PolarHBondContact O-N 3.43Å; P2135-A2139 VanDerWaalsContact O-N 3.13Å; A2139-G2141 PolarHBondContact O-N 2.93Å; A2139-L2181 HydrophobicContact CB-CD1 4.16Å; A2139-L2181 HydrophobicContact CB-CD2 3.9Å
2140E75.1Confident86.3Confident0 Ų05.9 Ų5.90%03%0.033CC..THydrogen-bonded Turntrans54.171.2159.7-53.3-138.1120.200112F20 A21 S40 I41 T42 N45 L46 S49 I2126 M2137 L2138F20-E2140 CarbonylContact C-O 3.53Å; F20-E2140 VanDerWaalsContact O-O 3.11Å; A21-E2140 WeakPolarHBondContact CA-O 3.13Å; S40-E2140 CarbonylContact O-C 3.28Å; S40-E2140 VanDerWaalsContact O-C 3.26Å; I41-E2140 WeakPolarHBondContact CA-O 3.33Å; I41-E2140 HydrophobicContact CG2-CB 4.04Å; T42-E2140 WeakPolarHBondContact CB-OE1 3.41Å; T42-E2140 WeakPolarHBondContact CG2-OE1 3.32Å; T42-E2140 VanDerWaalsContact O-OE2 3.12Å; T42-E2140 WeakPolarHBondContact OG1-CA 3.33Å; N45-E2140 WeakPolarHBondContact CA-OE1 3.31Å; N45-E2140 WeakPolarHBondContact CA-OE2 2.95Å; N45-E2140 HydrophobicContact CB-CG 4Å; N45-E2140 VanDerWaalsContact CB-OE1 3.24Å; N45-E2140 WeakPolarHBondContact CB-OE1 3.48Å; N45-E2140 VanDerWaalsContact CB-OE2 3.28Å; N45-E2140 WeakPolarHBondContact CB-OE2 3.45Å; N45-E2140 PolarHBondContact N-OE1 2.91Å; L46-E2140 PolarHBondContact N-OE1 3.49Å; L46-E2140 PolarHBondContact N-OE2 2.99Å; S49-E2140 PolarHBondContact OG-OE2 3.5Å; I2126-E2140 HydrophobicContact CD1-CG 4.4Å; M2137-E2140 PolarHBondContact O-N 3.48Å; L2138-E2140 WeakPolarHBondContact O-CG 3.49Å; L2138-E2140 PolarHBondContact O-N 3.45Å; L2138-E2140 VanDerWaalsContact O-N 3.1Å
2141G55Low86.9Confident0 Ų04 Ų40%02%0.021CC..  trans-159.6-2-173.900000117.5V22 F24 K39 S40 E2136 A2139V22-G2141 CarbonylContact O-C 3.51Å; F24-G2141 WeakPolarHBondContact CE2-O 3.31Å; F24-G2141 VanDerWaalsContact CZ-C 3.47Å; F24-G2141 WeakPolarHBondContact CZ-O 3.33Å; K39-G2141 CarbonylContact C-O 3.55Å; S40-G2141 VanDerWaalsContact C-CA 3.48Å; S40-G2141 WeakPolarHBondContact CA-O 3.22Å; S40-G2141 WeakPolarHBondContact CB-O 3.27Å; S40-G2141 PolarHBondContact N-O 3.02Å; S40-G2141 CarbonylContact O-C 3.44Å; S40-G2141 VanDerWaalsContact O-C 3.24Å; S40-G2141 WeakPolarHBondContact O-CA 3.5Å; S40-G2141 PolarHBondContact O-N 2.87Å; S40-G2141 PolarHBondContact OG-O 2.75Å; E2136-G2141 PolarHBondContact O-N 3.34Å; A2139-G2141 PolarHBondContact O-N 2.93Å
2142G71.7Confident87.3Confident0 Ų02.2 Ų2.20%01%0.011CC..  125.869.4101.500000115.8Y9 F24 S40 H83 Y85 E2136Y9-G2142 PolarHBondContact OH-O 3.02Å; F24-G2142 VanDerWaalsContact CE2-O 3.31Å; F24-G2142 WeakPolarHBondContact CE2-O 2.99Å; F24-G2142 VanDerWaalsContact CZ-N 3.27Å; S40-G2142 VanDerWaalsContact CB-CA 3.49Å; S40-G2142 WeakPolarHBondContact O-CA 3.45Å; S40-G2142 PolarHBondContact O-N 3.03Å; S40-G2142 WeakPolarHBondContact OG-CA 3.31Å; S40-G2142 PolarHBondContact OG-O 3.46Å; S40-G2142 VanDerWaalsContact OG-O 3.13Å; H83-G2142 WeakPolarHBondContact CD2-CA 3.46Å; H83-G2142 VanDerWaalsContact ND1-C 3.27Å; H83-G2142 PolarHBondContact ND1-O 2.85Å; H83-G2142 WeakPolarHBondContact NE2-CA 3.47Å; Y85-G2142 WeakPolarHBondContact CE1-O 3.31Å; Y85-G2142 VanDerWaalsContact CZ-O 3.29Å; Y85-G2142 PolarHBondContact OH-O 2.69Å; E2136-G2142 WeakPolarHBondContact O-CA 3.45Å; E2136-G2142 PolarHBondContact O-N 3.15Å
2143Y82.9Confident87.4Confident0 Ų01 Ų10%01%0.006CC..  trans-68.4149-163.381.5-100.5000116.1Y9 H83 R2089 L2123 D2125 C2127 M2137 V2147Y9-Y2143 VanDerWaalsContact OH-C 3.25Å; Y9-Y2143 WeakPolarHBondContact OH-CA 3.36Å; H83-Y2143 WeakPolarHBondContact CE1-CA 3.49Å; H83-Y2143 WeakPolarHBondContact CE1-CB 3.42Å; H83-Y2143 AromaticContact CE1-CD1 2.4Å; H83-Y2143 WeakPolarHBondContact CE1-CD1 3.27Å; H83-Y2143 AromaticContact CE1-CD2 3.25Å; H83-Y2143 WeakPolarHBondContact CE1-CD2 3.35Å; H83-Y2143 AromaticContact CE1-CE1 2.69Å; H83-Y2143 WeakPolarHBondContact CE1-CE1 3.45Å; H83-Y2143 AromaticContact CE1-CE2 3.4Å; H83-Y2143 VanDerWaalsContact CE1-CE2 3.4Å; H83-Y2143 WeakPolarHBondContact CE1-CE2 3.48Å; H83-Y2143 AromaticContact CE1-CG 2.71Å; H83-Y2143 AromaticContact CE1-CZ 3.17Å; H83-Y2143 PolarHBondContact CE1-N 2.71Å; H83-Y2143 PolarHBondContact CE1-O 2.78Å; H83-Y2143 PolarHBondContact ND1-N 3.31Å; H83-Y2143 PolarHBondContact ND1-O 2.75Å; H83-Y2143 VanDerWaalsContact ND1-O 3.1Å; H83-Y2143 AromaticContact NE2-CD1 3.52Å; H83-Y2143 AromaticContact NE2-CE1 3.67Å; R2089-Y2143 VanDerWaalsContact CD-OH 3.23Å; R2089-Y2143 WeakPolarHBondContact CD-OH 3.28Å; R2089-Y2143 HydrophobicContact CG-CE2 3.84Å; R2089-Y2143 PolarHBondContact NH1-OH 3.11Å; R2089-Y2143 VanDerWaalsContact NH1-OH 3.16Å; L2123-Y2143 HydrophobicContact CB-CE2 4.12Å; L2123-Y2143 PolarHBondContact N-O 2.82Å; L2123-Y2143 VanDerWaalsContact N-O 3.08Å; L2123-Y2143 VanDerWaalsContact O-CE1 3.29Å; L2123-Y2143 WeakPolarHBondContact O-CE1 3.5Å; L2123-Y2143 PolarHBondContact O-OH 2.85Å; D2125-Y2143 WeakPolarHBondContact O-CE1 3.41Å; D2125-Y2143 VanDerWaalsContact O-CZ 3.27Å; D2125-Y2143 PolarHBondContact O-OH 3.42Å; C2127-Y2143 PolarHBondContact SG-OH 3.48Å; C2127-Y2143 VanDerWaalsContact SG-OH 3.36Å; M2137-Y2143 HydrophobicContact CB-CD1 3.46Å; M2137-Y2143 VanDerWaalsContact CB-CD1 3.46Å; M2137-Y2143 HydrophobicContact CB-CE1 3.67Å; M2137-Y2143 HydrophobicContact CB-CG 4.41Å; M2137-Y2143 HydrophobicContact CE-CD1 3.84Å; M2137-Y2143 HydrophobicContact CE-CD2 4.05Å; M2137-Y2143 HydrophobicContact CE-CE1 3.43Å; M2137-Y2143 VanDerWaalsContact CE-CE1 3.43Å; M2137-Y2143 HydrophobicContact CE-CE2 3.74Å; M2137-Y2143 HydrophobicContact CE-CG 4.14Å; M2137-Y2143 HydrophobicContact CG-CD1 3.36Å; M2137-Y2143 HydrophobicContact CG-CE1 3.83Å; M2137-Y2143 HydrophobicContact CG-CG 3.83Å; M2137-Y2143 HydrophobicContact SD-CD1 4.36Å; M2137-Y2143 HydrophobicContact SD-CE1 4.45Å; Y2143-V2147 VanDerWaalsContact CB-CG1 3.44Å; Y2143-V2147 HydrophobicContact CD1-CG1 4.45Å; Y2143-V2147 HydrophobicContact CD2-CG1 3.85Å; Y2143-V2147 HydrophobicContact CD2-CG2 3.93Å; Y2143-V2147 HydrophobicContact CG-CG1 3.64Å
2144G86.9Confident87.7Confident0 Ų00.9 Ų0.90%01%0.005CC..SBendtrans-118.4-110.6158.300000112.5E2 Y9 K11 V2087E2-G2144 WeakPolarHBondContact OE2-CA 3.42Å; E2-G2144 PolarHBondContact OE2-N 3.25Å; Y9-G2144 PolarHBondContact OH-N 2.8Å; K11-G2144 VanDerWaalsContact CE-C 3.41Å; K11-G2144 WeakPolarHBondContact CE-O 3.41Å; K11-G2144 VanDerWaalsContact NZ-N 3.14Å; K11-G2144 PolarHBondContact NZ-O 3.17Å; V2087-G2144 VanDerWaalsContact CB-O 3.31Å; V2087-G2144 WeakPolarHBondContact CB-O 3.07Å; V2087-G2144 WeakPolarHBondContact CG2-O 3.4Å
2145L93Very high87.9Confident0 Ų00.9 Ų0.90%01%0.005CC..SBendtrans-57-82.5178.3-54.3168.2000117.2M1 E2 K11 H2082 I2086 V2087 L2119 V2147 D2148M1-L2145 WeakPolarHBondContact O-CD1 3.47Å; E2-L2145 HydrophobicContact CB-CD1 4.44Å; E2-L2145 HydrophobicContact CG-CB 3.49Å; E2-L2145 VanDerWaalsContact CG-CB 3.49Å; E2-L2145 HydrophobicContact CG-CD1 3.62Å; E2-L2145 HydrophobicContact CG-CG 3.55Å; E2-L2145 WeakPolarHBondContact OE1-CA 3.4Å; E2-L2145 VanDerWaalsContact OE1-CB 3.23Å; E2-L2145 WeakPolarHBondContact OE1-CB 3.43Å; E2-L2145 PolarHBondContact OE1-N 3.15Å; E2-L2145 PolarHBondContact OE2-N 2.94Å; K11-L2145 PolarHBondContact NZ-O 3Å; H2082-L2145 HydrophobicContact CB-CB 4.39Å; H2082-L2145 HydrophobicContact CB-CD1 3.78Å; H2082-L2145 HydrophobicContact CB-CD2 4.37Å; H2082-L2145 HydrophobicContact CB-CG 4.38Å; I2086-L2145 WeakPolarHBondContact O-CD2 3.28Å; V2087-L2145 HydrophobicContact CB-CD2 4.15Å; V2087-L2145 WeakPolarHBondContact CG2-O 3.43Å; L2119-L2145 HydrophobicContact CD2-CG 4.08Å; L2145-V2147 WeakPolarHBondContact O-CG2 3.34Å; L2145-V2147 PolarHBondContact O-N 3.3Å; L2145-D2148 WeakPolarHBondContact O-CB 3.32Å; L2145-D2148 PolarHBondContact O-N 2.75Å
2146K94.6Very high88.3Confident4 Ų40.9 Ų0.92%0.0171%0.005CC..THydrogen-bonded Turntrans-66.319.5-164.1-38.2-177.9-168.6169.20118.1E2 N10 K11 K12 D13 D2148 V2149 W2150 Y2215 S2216E2-K2146 PolarHBondContact OE1-N 3.03Å; N10-K2146 VanDerWaalsContact CA-CE 3.42Å; N10-K2146 WeakPolarHBondContact O-CD 3.23Å; N10-K2146 WeakPolarHBondContact O-CE 3.34Å; N10-K2146 PolarHBondContact O-NZ 3.5Å; N10-K2146 WeakPolarHBondContact OD1-CE 3.38Å; N10-K2146 PolarHBondContact OD1-NZ 3.08Å; K11-K2146 HydrophobicContact CB-CB 4.08Å; K11-K2146 HydrophobicContact CB-CG 4.41Å; K11-K2146 VanDerWaalsContact CE-N 3.34Å; K11-K2146 CarbonylContact O-C 3.59Å; K11-K2146 VanDerWaalsContact O-CB 3.31Å; K11-K2146 WeakPolarHBondContact O-CB 3.49Å; K12-K2146 HydrophobicContact CB-CD 3.65Å; K12-K2146 HydrophobicContact CD-CD 3.89Å; K12-K2146 HydrophobicContact CG-CB 4.17Å; K12-K2146 HydrophobicContact CG-CD 3.59Å; D13-K2146 IonicContact OD2-NZ 3.11Å; D13-K2146 PolarHBondContact OD2-NZ 2.86Å; K2146-D2148 PolarHBondContact O-N 2.97Å; K2146-V2149 HydrophobicContact CB-CB 4.17Å; K2146-V2149 HydrophobicContact CB-CG2 3.91Å; K2146-V2149 HydrophobicContact CG-CG2 4.41Å; K2146-V2149 CarbonylContact O-C 3.32Å; K2146-V2149 WeakPolarHBondContact O-CA 3.34Å; K2146-V2149 PolarHBondContact O-N 2.92Å; K2146-W2150 PolarHBondContact O-N 3.12Å; K2146-Y2215 PolarHBondContact NZ-O 3.31Å; K2146-S2216 VanDerWaalsContact CE-CA 3.44Å
2147V94.6Very high88.7Confident4 Ų41 Ų12%0.0241%0.005CC..Hα-helixtrans-58.8-39156.9-87.50000107.1K11 V2087 A2134 E2136 M2137 Y2143 L2145 V2149 W2150 A2151K11-V2147 HydrophobicContact CD-CG1 4.03Å; K11-V2147 VanDerWaalsContact NZ-CB 3.32Å; K11-V2147 VanDerWaalsContact NZ-CG2 3.26Å; V2087-V2147 HydrophobicContact CG2-CG2 3.83Å; A2134-V2147 HydrophobicContact CB-CB 4.13Å; A2134-V2147 HydrophobicContact CB-CG1 3.54Å; E2136-V2147 HydrophobicContact CG-CG1 3.77Å; M2137-V2147 HydrophobicContact CE-CG1 4.29Å; M2137-V2147 HydrophobicContact CG-CG1 3.55Å; M2137-V2147 HydrophobicContact SD-CB 4.15Å; M2137-V2147 HydrophobicContact SD-CG1 3.57Å; M2137-V2147 VanDerWaalsContact SD-CG1 3.57Å; Y2143-V2147 VanDerWaalsContact CB-CG1 3.44Å; Y2143-V2147 HydrophobicContact CD1-CG1 4.45Å; Y2143-V2147 HydrophobicContact CD2-CG1 3.85Å; Y2143-V2147 HydrophobicContact CD2-CG2 3.93Å; Y2143-V2147 HydrophobicContact CG-CG1 3.64Å; L2145-V2147 WeakPolarHBondContact O-CG2 3.34Å; L2145-V2147 PolarHBondContact O-N 3.3Å; V2147-V2149 PolarHBondContact O-N 3.04Å; V2147-W2150 PolarHBondContact O-N 3.15Å; V2147-A2151 WeakPolarHBondContact O-CB 3.47Å; V2147-A2151 PolarHBondContact O-N 2.88Å
2148D96.4Very high89Confident0 Ų01.7 Ų1.70%01%0.009CC..Hα-helixtrans-48.7-28.4170.7-57.7-15.2000112.1L2078 H2082 V2087 H2088 R2089 V2091 L2145 K2146 A2152L2078-D2148 HydrophobicContact CD1-CB 3.56Å; L2078-D2148 WeakPolarHBondContact CD1-O 3.28Å; L2078-D2148 HydrophobicContact CD2-CB 3.54Å; L2078-D2148 HydrophobicContact CG-CB 4.14Å; H2082-D2148 IonicContact CD2-OD2 2.71Å; H2082-D2148 IonicContact CE1-OD2 3.88Å; H2082-D2148 IonicContact NE2-OD2 2.73Å; H2082-D2148 PolarHBondContact NE2-OD2 3.13Å; V2087-D2148 WeakPolarHBondContact CG2-OD1 3.2Å; H2088-D2148 WeakPolarHBondContact CB-OD1 3.44Å; H2088-D2148 PolarHBondContact N-OD1 2.91Å; H2088-D2148 PolarHBondContact N-OD2 3.18Å; R2089-D2148 PolarHBondContact N-OD1 2.77Å; V2091-D2148 HydrophobicContact CG2-CB 3.61Å; L2145-D2148 WeakPolarHBondContact O-CB 3.32Å; L2145-D2148 PolarHBondContact O-N 2.75Å; K2146-D2148 PolarHBondContact O-N 2.97Å; D2148-A2152 VanDerWaalsContact O-CB 3.28Å; D2148-A2152 WeakPolarHBondContact O-CB 3.36Å; D2148-A2152 PolarHBondContact O-N 3.23Å
2149V96.5Very high89.5Confident0 Ų01.6 Ų1.60%01%0.009CC..Hα-helixtrans-105.7-19.9179.6-155.10000115.3K12 M2075 L2078 K2146 V2147 A2151 A2152 G2153 M2206K12-V2149 HydrophobicContact CD-CB 4.27Å; K12-V2149 HydrophobicContact CD-CG1 4.11Å; K12-V2149 HydrophobicContact CG-CB 4.08Å; K12-V2149 HydrophobicContact CG-CG1 4.39Å; M2075-V2149 HydrophobicContact CE-CB 4.33Å; M2075-V2149 HydrophobicContact CE-CG1 3.59Å; M2075-V2149 HydrophobicContact CE-CG2 4.1Å; M2075-V2149 HydrophobicContact SD-CB 4.32Å; M2075-V2149 HydrophobicContact SD-CG1 3.34Å; M2075-V2149 WeakPolarHBondContact SD-CG1 3.36Å; M2075-V2149 HydrophobicContact SD-CG2 3.97Å; L2078-V2149 HydrophobicContact CD1-CG2 4.04Å; K2146-V2149 HydrophobicContact CB-CB 4.17Å; K2146-V2149 HydrophobicContact CB-CG2 3.91Å; K2146-V2149 HydrophobicContact CG-CG2 4.41Å; K2146-V2149 CarbonylContact O-C 3.32Å; K2146-V2149 WeakPolarHBondContact O-CA 3.34Å; K2146-V2149 PolarHBondContact O-N 2.92Å; V2147-V2149 PolarHBondContact O-N 3.04Å; V2149-A2151 VanDerWaalsContact C-N 3.34Å; V2149-A2152 HydrophobicContact CG1-CB 4.25Å; V2149-G2153 PolarHBondContact O-N 3.15Å; V2149-M2206 HydrophobicContact CG1-CE 3.56Å; V2149-M2206 HydrophobicContact CG1-CG 4.4Å
2150W96.6Very high90.3Very high0 Ų01.9 Ų1.90%01%0.01CC..Hα-helixtrans-63.6-46.4155.3165.5-81.6000109.7A2134 P2135 K2146 V2147 A2152 G2153 V2154 F2166 I2180 L2207 Q2208 R2214A2134-W2150 HydrophobicContact CB-CB 3.5Å; A2134-W2150 VanDerWaalsContact CB-CB 3.5Å; A2134-W2150 VanDerWaalsContact CB-CD1 3.4Å; A2134-W2150 HydrophobicContact CB-CD2 4.16Å; A2134-W2150 HydrophobicContact CB-CG 3.4Å; P2135-W2150 VanDerWaalsContact CD-CD2 3.48Å; P2135-W2150 VanDerWaalsContact CD-CE2 3.47Å; P2135-W2150 HydrophobicContact CG-CD2 4.23Å; P2135-W2150 HydrophobicContact CG-CE3 4Å; P2135-W2150 HydrophobicContact CG-CH2 3.4Å; P2135-W2150 HydrophobicContact CG-CZ2 3.69Å; P2135-W2150 HydrophobicContact CG-CZ3 3.6Å; K2146-W2150 PolarHBondContact O-N 3.12Å; V2147-W2150 PolarHBondContact O-N 3.15Å; W2150-A2152 VanDerWaalsContact C-N 3.34Å; W2150-A2152 PolarHBondContact O-N 3.46Å; W2150-G2153 CarbonylContact O-C 3.38Å; W2150-G2153 VanDerWaalsContact O-CA 3.27Å; W2150-G2153 WeakPolarHBondContact O-CA 3.45Å; W2150-G2153 PolarHBondContact O-N 3.17Å; W2150-V2154 PolarHBondContact O-N 2.78Å; W2150-F2166 AromaticContact CE2-CE2 3.93Å; W2150-F2166 HydrophobicContact CH2-CD2 4.27Å; W2150-F2166 HydrophobicContact CH2-CE1 4.2Å; W2150-F2166 AromaticContact CH2-CE2 3.3Å; W2150-F2166 HydrophobicContact CH2-CE2 3.3Å; W2150-F2166 AromaticContact CH2-CZ 3.24Å; W2150-F2166 HydrophobicContact CH2-CZ 3.24Å; W2150-F2166 AromaticContact CZ2-CD2 3.68Å; W2150-F2166 HydrophobicContact CZ2-CD2 3.68Å; W2150-F2166 AromaticContact CZ2-CE2 3.02Å; W2150-F2166 HydrophobicContact CZ2-CE2 3.02Å; W2150-F2166 AromaticContact CZ2-CZ 3.53Å; W2150-F2166 HydrophobicContact CZ2-CZ 3.53Å; W2150-F2166 HydrophobicContact CZ3-CE2 4.34Å; W2150-F2166 HydrophobicContact CZ3-CZ 4.21Å; W2150-I2180 HydrophobicContact CZ2-CG2 3.83Å; W2150-L2207 HydrophobicContact CD2-CD2 3.68Å; W2150-L2207 HydrophobicContact CE3-CD2 3.72Å; W2150-L2207 HydrophobicContact CG-CD2 4.25Å; W2150-L2207 HydrophobicContact CH2-CD2 4.42Å; W2150-L2207 HydrophobicContact CZ2-CD2 4.33Å; W2150-L2207 HydrophobicContact CZ3-CD2 4.1Å; W2150-L2207 WeakPolarHBondContact CZ3-O 3.44Å; W2150-Q2208 WeakPolarHBondContact CZ3-O 3.26Å; W2150-R2214 VanDerWaalsContact CE3-NH2 3.35Å
2151A97Very high90.9Very high4 Ų42.5 Ų2.53%0.0331%0.014CC..Hα-helixtrans-58.8-46.3175.400000110.8V2091 V2147 V2149 G2153 V2154 I2155V2091-A2151 HydrophobicContact CB-CB 3.89Å; V2091-A2151 HydrophobicContact CG1-CB 4.28Å; V2091-A2151 WeakPolarHBondContact O-CB 3.19Å; V2147-A2151 WeakPolarHBondContact O-CB 3.47Å; V2147-A2151 PolarHBondContact O-N 2.88Å; V2149-A2151 VanDerWaalsContact C-N 3.34Å; A2151-G2153 PolarHBondContact O-N 3.14Å; A2151-V2154 WeakPolarHBondContact O-CB 3.44Å; A2151-V2154 PolarHBondContact O-N 3.45Å; A2151-I2155 WeakPolarHBondContact O-CB 3.49Å; A2151-I2155 WeakPolarHBondContact O-CD1 3.44Å; A2151-I2155 WeakPolarHBondContact O-CG1 3.29Å; A2151-I2155 PolarHBondContact O-N 2.98Å
2152A97Very high92.3Very high0 Ų04.1 Ų4.10%03%0.031CC..Hα-helixtrans-63.6-26.517100000113.3M2071 L2074 M2075 D2148 V2149 W2150 L2156 M2206M2071-A2152 HydrophobicContact CE-CB 4.35Å; M2071-A2152 WeakPolarHBondContact CE-O 3.35Å; M2071-A2152 HydrophobicContact SD-CB 3.9Å; L2074-A2152 HydrophobicContact CD2-CB 3.63Å; L2074-A2152 HydrophobicContact CG-CB 4.31Å; M2075-A2152 HydrophobicContact CE-CB 3.35Å; D2148-A2152 VanDerWaalsContact O-CB 3.28Å; D2148-A2152 WeakPolarHBondContact O-CB 3.36Å; D2148-A2152 PolarHBondContact O-N 3.23Å; V2149-A2152 HydrophobicContact CG1-CB 4.25Å; W2150-A2152 VanDerWaalsContact C-N 3.34Å; W2150-A2152 PolarHBondContact O-N 3.46Å; A2152-L2156 VanDerWaalsContact O-CB 3.3Å; A2152-L2156 WeakPolarHBondContact O-CB 3.44Å; A2152-L2156 PolarHBondContact O-N 2.95Å; A2152-M2206 VanDerWaalsContact C-CE 3.45Å; A2152-M2206 HydrophobicContact CB-CE 3.66Å
2153G95.7Very high93.1Very high0 Ų05.6 Ų5.60%04%0.037CC..Hα-helixtrans-71.8-40.6171.400000113.4V2149 W2150 A2151 I2155 L2156 Y2157 L2207V2149-G2153 PolarHBondContact O-N 3.15Å; W2150-G2153 CarbonylContact O-C 3.38Å; W2150-G2153 VanDerWaalsContact O-CA 3.27Å; W2150-G2153 WeakPolarHBondContact O-CA 3.45Å; W2150-G2153 PolarHBondContact O-N 3.17Å; A2151-G2153 PolarHBondContact O-N 3.14Å; G2153-I2155 VanDerWaalsContact C-N 3.31Å; G2153-L2156 PolarHBondContact O-N 3.03Å; G2153-Y2157 WeakPolarHBondContact O-CB 3.38Å; G2153-Y2157 PolarHBondContact O-N 2.94Å; G2153-L2207 WeakPolarHBondContact O-CD1 3.34Å
2154V96.5Very high93.5Very high0 Ų07.3 Ų7.30%05%0.048CC..Hα-helixtrans-60.5-46.1170.1170.50000108.8T2131 Y2132 W2150 A2151 Y2157 I2158 P2165 L2207T2131-V2154 HydrophobicContact CG2-CG1 4.49Å; Y2132-V2154 HydrophobicContact CD1-CB 4.11Å; Y2132-V2154 HydrophobicContact CD1-CG1 3.46Å; Y2132-V2154 VanDerWaalsContact CD1-CG1 3.46Å; Y2132-V2154 HydrophobicContact CE1-CG1 3.82Å; Y2132-V2154 HydrophobicContact CG-CG1 4.46Å; W2150-V2154 PolarHBondContact O-N 2.78Å; A2151-V2154 WeakPolarHBondContact O-CB 3.44Å; A2151-V2154 PolarHBondContact O-N 3.45Å; V2154-Y2157 PolarHBondContact O-N 2.72Å; V2154-I2158 HydrophobicContact CG1-CD1 3.82Å; V2154-I2158 WeakPolarHBondContact O-CD1 3.41Å; V2154-I2158 WeakPolarHBondContact O-CG1 3.3Å; V2154-I2158 PolarHBondContact O-N 3.17Å; V2154-P2165 HydrophobicContact CB-CG 4.45Å; V2154-P2165 HydrophobicContact CG1-CG 4.41Å; V2154-P2165 HydrophobicContact CG2-CG 4.06Å; V2154-L2207 HydrophobicContact CG2-CD2 3.7Å
2155I95.6Very high93.6Very high0 Ų07.9 Ų7.90%05%0.052CC..Hα-helixtrans-59-49.8173.6-67.7158000110.4L2052 M2071 L2074 V2091 P2093 L2096 Y2132 A2151 G2153 Y2157 I2158 M2159L2052-I2155 HydrophobicContact CD2-CG2 3.6Å; M2071-I2155 HydrophobicContact CE-CG2 4.44Å; L2074-I2155 HydrophobicContact CD2-CD1 4.47Å; V2091-I2155 HydrophobicContact CG1-CD1 3.82Å; P2093-I2155 HydrophobicContact CG-CG1 3.98Å; L2096-I2155 HydrophobicContact CD1-CD1 3.6Å; Y2132-I2155 HydrophobicContact CD1-CG1 4.28Å; Y2132-I2155 HydrophobicContact CE1-CG1 4.27Å; A2151-I2155 WeakPolarHBondContact O-CB 3.49Å; A2151-I2155 WeakPolarHBondContact O-CD1 3.44Å; A2151-I2155 WeakPolarHBondContact O-CG1 3.29Å; A2151-I2155 PolarHBondContact O-N 2.98Å; G2153-I2155 VanDerWaalsContact C-N 3.31Å; I2155-Y2157 VanDerWaalsContact C-N 3.34Å; I2155-Y2157 PolarHBondContact O-N 3.12Å; I2155-I2158 CarbonylContact O-C 3.52Å; I2155-I2158 WeakPolarHBondContact O-CA 3.43Å; I2155-I2158 WeakPolarHBondContact O-CB 3.42Å; I2155-I2158 PolarHBondContact O-N 3.34Å; I2155-I2158 VanDerWaalsContact O-N 3.09Å; I2155-M2159 HydrophobicContact CG2-CG 4.07Å; I2155-M2159 HydrophobicContact CG2-SD 3.72Å; I2155-M2159 VanDerWaalsContact O-CG 3.24Å; I2155-M2159 WeakPolarHBondContact O-CG 3.49Å; I2155-M2159 PolarHBondContact O-N 3.4Å
2156L96.1Very high93.6Very high0 Ų08 Ų80%05%0.052CC..Hα-helixtrans-59.9-43.7179.6-177.557.7000111.7A2067 M2071 A2152 G2153 I2158 M2159 L2160 L2202 V2203 M2206 W2225A2067-L2156 HydrophobicContact CB-CD1 4.33Å; M2071-L2156 HydrophobicContact CE-CB 3.88Å; M2071-L2156 HydrophobicContact CE-CD1 4.34Å; A2152-L2156 VanDerWaalsContact O-CB 3.3Å; A2152-L2156 WeakPolarHBondContact O-CB 3.44Å; A2152-L2156 PolarHBondContact O-N 2.95Å; G2153-L2156 PolarHBondContact O-N 3.03Å; L2156-I2158 VanDerWaalsContact C-N 3.34Å; L2156-I2158 PolarHBondContact O-N 2.84Å; L2156-M2159 PolarHBondContact O-N 3.32Å; L2156-L2160 HydrophobicContact CD1-CD1 3.83Å; L2156-L2160 HydrophobicContact CD1-CG 4.04Å; L2156-L2160 HydrophobicContact CG-CD1 3.83Å; L2156-L2160 HydrophobicContact CG-CG 4.44Å; L2156-L2160 WeakPolarHBondContact O-CB 3.39Å; L2156-L2160 VanDerWaalsContact O-CG 3.26Å; L2156-L2160 WeakPolarHBondContact O-CG 3.45Å; L2156-L2160 PolarHBondContact O-N 2.93Å; L2156-L2202 HydrophobicContact CD2-CD2 3.91Å; L2156-L2202 HydrophobicContact CD2-CG 4.03Å; L2156-V2203 HydrophobicContact CB-CG2 4.47Å; L2156-V2203 HydrophobicContact CD2-CG2 3.64Å; L2156-V2203 HydrophobicContact CG-CG2 3.75Å; L2156-M2206 HydrophobicContact CD2-SD 3.52Å; L2156-M2206 VanDerWaalsContact CD2-SD 3.52Å; L2156-W2225 HydrophobicContact CD1-CH2 3.6Å; L2156-W2225 HydrophobicContact CD1-CZ3 3.75Å; L2156-W2225 HydrophobicContact CD2-CZ3 4.25Å
2157Y95.9Very high92.9Very high2 Ų212 Ų121%0.0088%0.077CC..Hα-helixtrans-59.3-45.2174.2-173.5-71.9000110.6G2153 V2154 I2155 L2160 C2161 Y2163 P2165 Y2185 A2186 F2187 W2192 V2203 L2207G2153-Y2157 WeakPolarHBondContact O-CB 3.38Å; G2153-Y2157 PolarHBondContact O-N 2.94Å; V2154-Y2157 PolarHBondContact O-N 2.72Å; I2155-Y2157 VanDerWaalsContact C-N 3.34Å; I2155-Y2157 PolarHBondContact O-N 3.12Å; Y2157-L2160 PolarHBondContact O-N 3.22Å; Y2157-C2161 VanDerWaalsContact CD1-SG 3.5Å; Y2157-C2161 WeakPolarHBondContact CE1-SG 3.4Å; Y2157-C2161 PolarHBondContact O-N 3.13Å; Y2157-C2161 VanDerWaalsContact O-N 3.09Å; Y2157-C2161 PolarHBondContact O-SG 2.79Å; Y2157-Y2163 WeakPolarHBondContact CD1-O 3.43Å; Y2157-Y2163 AromaticContact CE1-CD2 3.98Å; Y2157-Y2163 HydrophobicContact CE1-CD2 3.98Å; Y2157-Y2163 AromaticContact CE1-CE2 3.57Å; Y2157-Y2163 HydrophobicContact CE1-CE2 3.57Å; Y2157-Y2163 AromaticContact CE1-CZ 3.97Å; Y2157-Y2163 WeakPolarHBondContact CE1-O 3.35Å; Y2157-Y2163 AromaticContact CZ-CE2 3.89Å; Y2157-Y2163 VanDerWaalsContact OH-CE2 3.26Å; Y2157-Y2163 WeakPolarHBondContact OH-CE2 3.28Å; Y2157-Y2163 PolarHBondContact OH-OH 3.2Å; Y2157-P2165 HydrophobicContact CD1-CB 3.88Å; Y2157-P2165 VanDerWaalsContact CD1-CD 3.48Å; Y2157-P2165 HydrophobicContact CD1-CG 4.17Å; Y2157-P2165 HydrophobicContact CD2-CB 3.82Å; Y2157-P2165 HydrophobicContact CD2-CG 4.49Å; Y2157-P2165 HydrophobicContact CE1-CB 4.05Å; Y2157-P2165 HydrophobicContact CE2-CB 4.03Å; Y2157-P2165 HydrophobicContact CG-CB 3.79Å; Y2157-P2165 HydrophobicContact CG-CG 4.05Å; Y2157-Y2185 HydrophobicContact CD2-CD2 4.05Å; Y2157-Y2185 HydrophobicContact CD2-CE2 4.33Å; Y2157-Y2185 AromaticContact CE2-CD2 3.68Å; Y2157-Y2185 HydrophobicContact CE2-CD2 3.68Å; Y2157-Y2185 HydrophobicContact CE2-CE2 4.28Å; Y2157-A2186 PolarHBondContact OH-O 2.67Å; Y2157-F2187 HydrophobicContact CD2-CE1 4.29Å; Y2157-F2187 HydrophobicContact CE2-CD1 4.06Å; Y2157-F2187 HydrophobicContact CE2-CE1 4.16Å; Y2157-W2192 HydrophobicContact CD1-CZ2 4.03Å; Y2157-W2192 AromaticContact CD2-CH2 3.86Å; Y2157-W2192 HydrophobicContact CD2-CH2 3.86Å; Y2157-W2192 AromaticContact CD2-CZ2 3.37Å; Y2157-W2192 HydrophobicContact CD2-CZ2 3.37Å; Y2157-W2192 HydrophobicContact CE1-CZ2 4.07Å; Y2157-W2192 AromaticContact CE2-CE2 3.76Å; Y2157-W2192 HydrophobicContact CE2-CH2 4.2Å; Y2157-W2192 AromaticContact CE2-CZ2 3.38Å; Y2157-W2192 HydrophobicContact CE2-CZ2 3.38Å; Y2157-W2192 AromaticContact CE2-NE1 3.9Å; Y2157-W2192 HydrophobicContact CG-CH2 4.23Å; Y2157-W2192 AromaticContact CG-CZ2 3.68Å; Y2157-W2192 HydrophobicContact CG-CZ2 3.68Å; Y2157-W2192 AromaticContact CZ-CE2 3.88Å; Y2157-W2192 AromaticContact CZ-CZ2 3.74Å; Y2157-W2192 AromaticContact CZ-NE1 3.58Å; Y2157-W2192 PolarHBondContact OH-NE1 2.99Å; Y2157-V2203 HydrophobicContact CD2-CG1 3.83Å; Y2157-L2207 HydrophobicContact CD2-CD1 4.07Å; Y2157-L2207 HydrophobicContact CG-CD1 4.21Å
2158I93.7Very high92.3Very high18 Ų1812.6 Ų12.69%0.0928%0.081CC..Hα-helixtrans-63.6-41.2174.6-62.2158.8000111.4L2056 Y2132 V2154 I2155 L2156 L2160 C2161 G2162 P2164L2056-I2158 HydrophobicContact CD1-CG2 3.86Å; L2056-I2158 HydrophobicContact CD2-CG2 4.14Å; L2056-I2158 HydrophobicContact CG-CG2 4.5Å; Y2132-I2158 HydrophobicContact CE1-CD1 3.77Å; V2154-I2158 HydrophobicContact CG1-CD1 3.82Å; V2154-I2158 WeakPolarHBondContact O-CD1 3.41Å; V2154-I2158 WeakPolarHBondContact O-CG1 3.3Å; V2154-I2158 PolarHBondContact O-N 3.17Å; I2155-I2158 CarbonylContact O-C 3.52Å; I2155-I2158 WeakPolarHBondContact O-CA 3.43Å; I2155-I2158 WeakPolarHBondContact O-CB 3.42Å; I2155-I2158 PolarHBondContact O-N 3.34Å; I2155-I2158 VanDerWaalsContact O-N 3.09Å; L2156-I2158 VanDerWaalsContact C-N 3.34Å; L2156-I2158 PolarHBondContact O-N 2.84Å; I2158-L2160 VanDerWaalsContact C-N 3.3Å; I2158-L2160 PolarHBondContact O-N 3.33Å; I2158-C2161 PolarHBondContact O-N 2.8Å; I2158-G2162 VanDerWaalsContact O-CA 3.24Å; I2158-G2162 WeakPolarHBondContact O-CA 3.37Å; I2158-G2162 PolarHBondContact O-N 3.24Å; I2158-P2164 HydrophobicContact CD1-CB 4.14Å; I2158-P2164 HydrophobicContact CG1-CB 4.11Å
2159M93.5Very high91Very high1 Ų122.1 Ų22.11%0.00513%0.125CC..Hα-helixtrans-62.5-36.6177.6-68.8174.983.900112L2052 L2056 T2061 F2062 A2067 M2070 M2071 I2155 L2156L2052-M2159 HydrophobicContact CD1-CE 4.41Å; L2052-M2159 HydrophobicContact CD2-SD 4.45Å; L2056-M2159 HydrophobicContact CD1-CG 4.49Å; L2056-M2159 HydrophobicContact CD2-CB 4.36Å; L2056-M2159 HydrophobicContact CD2-CG 3.87Å; T2061-M2159 CarbonylContact C-O 3.1Å; T2061-M2159 WeakPolarHBondContact CA-O 3.48Å; F2062-M2159 HydrophobicContact CB-CE 4.38Å; F2062-M2159 HydrophobicContact CD2-CB 4.3Å; F2062-M2159 HydrophobicContact CD2-CE 3.65Å; F2062-M2159 HydrophobicContact CD2-CG 4.09Å; F2062-M2159 HydrophobicContact CE2-CE 4.27Å; F2062-M2159 HydrophobicContact CG-CE 4.19Å; F2062-M2159 PolarHBondContact N-O 3.02Å; A2067-M2159 HydrophobicContact CB-CB 4.27Å; A2067-M2159 HydrophobicContact CB-CE 4.07Å; M2070-M2159 HydrophobicContact CB-CE 3.72Å; M2070-M2159 HydrophobicContact CG-CE 4.17Å; M2070-M2159 HydrophobicContact SD-CE 3.33Å; M2070-M2159 WeakPolarHBondContact SD-CE 2.86Å; M2071-M2159 HydrophobicContact CE-SD 4.21Å; I2155-M2159 HydrophobicContact CG2-CG 4.07Å; I2155-M2159 HydrophobicContact CG2-SD 3.72Å; I2155-M2159 VanDerWaalsContact O-CG 3.24Å; I2155-M2159 WeakPolarHBondContact O-CG 3.49Å; I2155-M2159 PolarHBondContact O-N 3.4Å; L2156-M2159 PolarHBondContact O-N 3.32Å
2160L92.4Very high89.1Confident6 Ų627.2 Ų27.23%0.03116%0.157CC..Hα-helixtrans-83.7-25.3-177.5-66169000113.8E2064 A2067 L2156 Y2157 I2158 W2192 I2195 A2199 V2203 W2225E2064-L2160 HydrophobicContact CG-CD2 3.9Å; A2067-L2160 HydrophobicContact CB-CD2 4.21Å; L2156-L2160 HydrophobicContact CD1-CD1 3.83Å; L2156-L2160 HydrophobicContact CD1-CG 4.04Å; L2156-L2160 HydrophobicContact CG-CD1 3.83Å; L2156-L2160 HydrophobicContact CG-CG 4.44Å; L2156-L2160 WeakPolarHBondContact O-CB 3.39Å; L2156-L2160 VanDerWaalsContact O-CG 3.26Å; L2156-L2160 WeakPolarHBondContact O-CG 3.45Å; L2156-L2160 PolarHBondContact O-N 2.93Å; Y2157-L2160 PolarHBondContact O-N 3.22Å; I2158-L2160 VanDerWaalsContact C-N 3.3Å; I2158-L2160 PolarHBondContact O-N 3.33Å; L2160-W2192 HydrophobicContact CB-CH2 3.79Å; L2160-W2192 HydrophobicContact CB-CZ2 4.32Å; L2160-W2192 HydrophobicContact CB-CZ3 4.2Å; L2160-W2192 HydrophobicContact CD1-CH2 3.86Å; L2160-W2192 HydrophobicContact CD1-CZ3 3.96Å; L2160-I2195 HydrophobicContact CB-CD1 4.31Å; L2160-I2195 HydrophobicContact CD1-CG2 4.26Å; L2160-I2195 HydrophobicContact CD2-CD1 4.22Å; L2160-I2195 HydrophobicContact CD2-CG2 4.36Å; L2160-A2199 HydrophobicContact CD1-CB 4.06Å; L2160-V2203 HydrophobicContact CD1-CG2 3.72Å; L2160-W2225 HydrophobicContact CD2-CH2 4.23Å; L2160-W2225 HydrophobicContact CD2-CZ2 3.94Å
2161C86.8Confident87.9Confident13 Ų1330.5 Ų30.59%0.08819%0.19CC..Hα-helixtrans-138.2-6.2-175.275.80000117.5T2061 Y2157 I2158 Y2163 H2191 W2192T2061-C2161 VanDerWaalsContact CG2-C 3.43Å; Y2157-C2161 VanDerWaalsContact CD1-SG 3.5Å; Y2157-C2161 WeakPolarHBondContact CE1-SG 3.4Å; Y2157-C2161 PolarHBondContact O-N 3.13Å; Y2157-C2161 VanDerWaalsContact O-N 3.09Å; Y2157-C2161 PolarHBondContact O-SG 2.79Å; I2158-C2161 PolarHBondContact O-N 2.8Å; C2161-Y2163 HydrophobicContact CB-CD1 4.29Å; C2161-Y2163 HydrophobicContact CB-CE1 3.71Å; C2161-Y2163 VanDerWaalsContact O-CD1 3.28Å; C2161-Y2163 WeakPolarHBondContact O-CD1 3.28Å; C2161-Y2163 WeakPolarHBondContact SG-CE1 3.31Å; C2161-H2191 HydrophobicContact CB-CB 4.1Å; C2161-W2192 HydrophobicContact CB-CZ2 3.91Å; C2161-W2192 PolarHBondContact SG-NE1 3.35Å; C2161-W2192 VanDerWaalsContact SG-NE1 3.43Å
2162G85.9Confident86.6Confident34 Ų3432 Ų3235%0.35120%0.203SC..SBendtrans80.817.7170.200000116.6R2060 I2158R2060-G2162 WeakPolarHBondContact O-CA 3.44Å; I2158-G2162 VanDerWaalsContact O-CA 3.24Å; I2158-G2162 WeakPolarHBondContact O-CA 3.37Å; I2158-G2162 PolarHBondContact O-N 3.24Å
2163Y87Confident85.7Confident32 Ų3237.3 Ų37.313%0.12523%0.228CC..SBendtrans-150.8155.1171.560.6-83.4000109.6Y2157 C2161 H2191 W2192Y2157-Y2163 WeakPolarHBondContact CD1-O 3.43Å; Y2157-Y2163 AromaticContact CE1-CD2 3.98Å; Y2157-Y2163 HydrophobicContact CE1-CD2 3.98Å; Y2157-Y2163 AromaticContact CE1-CE2 3.57Å; Y2157-Y2163 HydrophobicContact CE1-CE2 3.57Å; Y2157-Y2163 AromaticContact CE1-CZ 3.97Å; Y2157-Y2163 WeakPolarHBondContact CE1-O 3.35Å; Y2157-Y2163 AromaticContact CZ-CE2 3.89Å; Y2157-Y2163 VanDerWaalsContact OH-CE2 3.26Å; Y2157-Y2163 WeakPolarHBondContact OH-CE2 3.28Å; Y2157-Y2163 PolarHBondContact OH-OH 3.2Å; C2161-Y2163 HydrophobicContact CB-CD1 4.29Å; C2161-Y2163 HydrophobicContact CB-CE1 3.71Å; C2161-Y2163 VanDerWaalsContact O-CD1 3.28Å; C2161-Y2163 WeakPolarHBondContact O-CD1 3.28Å; C2161-Y2163 WeakPolarHBondContact SG-CE1 3.31Å; Y2163-H2191 HydrophobicContact CE1-CB 3.99Å; Y2163-H2191 AromaticContact CE1-CD2 3.28Å; Y2163-H2191 WeakPolarHBondContact CE1-CD2 3.25Å; Y2163-H2191 AromaticContact CE1-CG 3.75Å; Y2163-H2191 AromaticContact CZ-CD2 3.83Å; Y2163-W2192 PolarHBondContact OH-NE1 3.46Å
2164P91Very high85Confident36 Ų3643.5 Ų43.523%0.23426%0.257CS..  trans-73.4152.4179.628.5-33.4000112.2T2131 I2158 F2166 V2167T2131-P2164 HydrophobicContact CG2-CB 3.55Å; T2131-P2164 HydrophobicContact CG2-CG 3.95Å; I2158-P2164 HydrophobicContact CD1-CB 4.14Å; I2158-P2164 HydrophobicContact CG1-CB 4.11Å; P2164-F2166 VanDerWaalsContact C-N 3.25Å; P2164-F2166 PolarHBondContact O-N 3.47Å; P2164-V2167 HydrophobicContact CG-CG2 4.05Å
2165P90.4Very high84.2Confident12 Ų1246 Ų468%0.07827%0.27CS..SBendtrans-63.5-28.9178.124.1-32.7000113.3V2154 Y2157 Y2185 L2207V2154-P2165 HydrophobicContact CB-CG 4.45Å; V2154-P2165 HydrophobicContact CG1-CG 4.41Å; V2154-P2165 HydrophobicContact CG2-CG 4.06Å; Y2157-P2165 HydrophobicContact CD1-CB 3.88Å; Y2157-P2165 VanDerWaalsContact CD1-CD 3.48Å; Y2157-P2165 HydrophobicContact CD1-CG 4.17Å; Y2157-P2165 HydrophobicContact CD2-CB 3.82Å; Y2157-P2165 HydrophobicContact CD2-CG 4.49Å; Y2157-P2165 HydrophobicContact CE1-CB 4.05Å; Y2157-P2165 HydrophobicContact CE2-CB 4.03Å; Y2157-P2165 HydrophobicContact CG-CB 3.79Å; Y2157-P2165 HydrophobicContact CG-CG 4.05Å; P2165-Y2185 HydrophobicContact CB-CD2 4.2Å; P2165-Y2185 HydrophobicContact CB-CG 3.89Å; P2165-Y2185 WeakPolarHBondContact O-CB 3.49Å; P2165-L2207 HydrophobicContact CB-CD1 3.88Å; P2165-L2207 HydrophobicContact CG-CD1 3.61Å
2166F91.9Very high83.7Confident3 Ų347 Ų471%0.01328%0.276CS..  trans-118130.3-179.4-47.4-73.4000110.1W2150 P2164 L2176 A2179 I2180 Y2185 L2207W2150-F2166 AromaticContact CE2-CE2 3.93Å; W2150-F2166 HydrophobicContact CH2-CD2 4.27Å; W2150-F2166 HydrophobicContact CH2-CE1 4.2Å; W2150-F2166 AromaticContact CH2-CE2 3.3Å; W2150-F2166 HydrophobicContact CH2-CE2 3.3Å; W2150-F2166 AromaticContact CH2-CZ 3.24Å; W2150-F2166 HydrophobicContact CH2-CZ 3.24Å; W2150-F2166 AromaticContact CZ2-CD2 3.68Å; W2150-F2166 HydrophobicContact CZ2-CD2 3.68Å; W2150-F2166 AromaticContact CZ2-CE2 3.02Å; W2150-F2166 HydrophobicContact CZ2-CE2 3.02Å; W2150-F2166 AromaticContact CZ2-CZ 3.53Å; W2150-F2166 HydrophobicContact CZ2-CZ 3.53Å; W2150-F2166 HydrophobicContact CZ3-CE2 4.34Å; W2150-F2166 HydrophobicContact CZ3-CZ 4.21Å; P2164-F2166 VanDerWaalsContact C-N 3.25Å; P2164-F2166 PolarHBondContact O-N 3.47Å; F2166-L2176 HydrophobicContact CB-CD1 4.3Å; F2166-A2179 HydrophobicContact CB-CB 4.06Å; F2166-A2179 HydrophobicContact CD1-CB 4.44Å; F2166-A2179 WeakPolarHBondContact CD1-O 3.43Å; F2166-I2180 HydrophobicContact CB-CG1 3.55Å; F2166-I2180 HydrophobicContact CD1-CG1 4.45Å; F2166-I2180 HydrophobicContact CD2-CG1 3.79Å; F2166-I2180 HydrophobicContact CG-CB 4.39Å; F2166-I2180 HydrophobicContact CG-CG1 3.64Å; F2166-Y2185 AromaticContact CE1-CD1 3.69Å; F2166-Y2185 HydrophobicContact CE1-CD1 3.69Å; F2166-Y2185 HydrophobicContact CE1-CG 4.24Å; F2166-Y2185 AromaticContact CZ-CD1 3.48Å; F2166-Y2185 HydrophobicContact CZ-CD1 3.48Å; F2166-Y2185 VanDerWaalsContact CZ-CD1 3.48Å; F2166-Y2185 HydrophobicContact CZ-CE1 4.21Å; F2166-Y2185 HydrophobicContact CZ-CG 4.15Å; F2166-L2207 HydrophobicContact CE2-CD2 4.3Å
2167V81.5Confident83.3Confident87 Ų8749 Ų4953%0.52728%0.284SS..  trans-144.2135-175.8-175.40000108.3P2164P2164-V2167 HydrophobicContact CG-CG2 4.05Å
2168S80.2Confident82.9Confident16 Ų1655.4 Ų55.411%0.11232%0.315CS..  trans-78.8128.7164.11600000109.7T2170 G2171 A2172 D2175S2168-T2170 VanDerWaalsContact C-N 3.3Å; S2168-T2170 PolarHBondContact OG-N 2.89Å; S2168-T2170 PolarHBondContact OG-OG1 3.01Å; S2168-G2171 WeakPolarHBondContact OG-CA 3.46Å; S2168-G2171 PolarHBondContact OG-N 3.27Å; S2168-A2172 WeakPolarHBondContact CB-O 3.34Å; S2168-A2172 PolarHBondContact OG-N 3.04Å; S2168-A2172 PolarHBondContact OG-O 3.2Å; S2168-D2175 WeakPolarHBondContact CB-OD2 3.49Å; S2168-D2175 PolarHBondContact OG-OD2 3.13Å
2169E69.3Low82.5Confident200 Ų20055.5 Ų55.594%0.93532%0.318SS*.SBendtrans-69.9-27.2174.2-61.6-167.6161.100112.5
2170T57.3Low82.3Confident107 Ų10755.4 Ų55.466%0.65632%0.317SS*.SBendtrans-92.6-14.3-179.874.80000114S2168 A2172 D2175S2168-T2170 VanDerWaalsContact C-N 3.3Å; S2168-T2170 PolarHBondContact OG-N 2.89Å; S2168-T2170 PolarHBondContact OG-OG1 3.01Å; T2170-A2172 VanDerWaalsContact C-N 3.29Å; T2170-A2172 WeakPolarHBondContact OG1-CB 3.37Å; T2170-A2172 PolarHBondContact OG1-N 3.33Å; T2170-D2175 WeakPolarHBondContact CB-OD2 3.39Å; T2170-D2175 PolarHBondContact OG1-OD2 3.29Å
2171G71.6Confident82Confident69 Ų6956.5 Ų56.571%0.71132%0.323SS*.SBendtrans79.41.8-166.200000114.6S2168S2168-G2171 WeakPolarHBondContact OG-CA 3.46Å; S2168-G2171 PolarHBondContact OG-N 3.27Å
2172A69.6Low81.9Confident37 Ų3758 Ų5831%0.30633%0.334SS..  trans-73140.117400000111.7S2168 T2170 E2174 D2175 L2176S2168-A2172 WeakPolarHBondContact CB-O 3.34Å; S2168-A2172 PolarHBondContact OG-N 3.04Å; S2168-A2172 PolarHBondContact OG-O 3.2Å; T2170-A2172 VanDerWaalsContact C-N 3.29Å; T2170-A2172 WeakPolarHBondContact OG1-CB 3.37Å; T2170-A2172 PolarHBondContact OG1-N 3.33Å; A2172-E2174 PolarHBondContact O-N 3.1Å; A2172-D2175 WeakPolarHBondContact CB-OD1 3.13Å; A2172-L2176 PolarHBondContact O-N 3.43Å
2173Q77.5Confident81.8Confident110 Ų11057 Ų5751%0.51432%0.323SS..Hα-helixtrans-66.2-24.4178.1-162-170.9-90.500111.9F2177Q2173-F2177 HydrophobicContact CG-CD1 4.24Å; Q2173-F2177 HydrophobicContact CG-CE1 3.71Å; Q2173-F2177 HydrophobicContact CG-CE2 4.18Å; Q2173-F2177 HydrophobicContact CG-CZ 3.69Å; Q2173-F2177 VanDerWaalsContact NE2-CE2 3.32Å; Q2173-F2177 WeakPolarHBondContact O-CB 3.45Å; Q2173-F2177 VanDerWaalsContact O-CD1 3.32Å; Q2173-F2177 WeakPolarHBondContact O-CD1 3.44Å; Q2173-F2177 WeakPolarHBondContact O-CG 3.33Å; Q2173-F2177 PolarHBondContact O-N 3.48Å
2174E81.6Confident81.6Confident130 Ų13063.8 Ų63.861%0.60735%0.353SS*.Hα-helixtrans-73.6-47-178.4-72.8167.615100111.2A2172 L2176 F2177 E2178A2172-E2174 PolarHBondContact O-N 3.1Å; E2174-L2176 VanDerWaalsContact C-N 3.35Å; E2174-L2176 PolarHBondContact O-N 3.16Å; E2174-F2177 CarbonylContact O-C 3.24Å; E2174-F2177 WeakPolarHBondContact O-CA 3.31Å; E2174-F2177 WeakPolarHBondContact O-CB 3.35Å; E2174-F2177 PolarHBondContact O-N 2.69Å; E2174-F2177 VanDerWaalsContact O-N 3.17Å; E2174-E2178 PolarHBondContact O-N 2.89Å
2175D80.3Confident81.5Confident52 Ų5264 Ų6428%0.27835%0.349SS..Hα-helixtrans-69.5-25.3170.318.3-55.9000114.1S2168 T2170 A2172 F2177 E2178 A2179S2168-D2175 WeakPolarHBondContact CB-OD2 3.49Å; S2168-D2175 PolarHBondContact OG-OD2 3.13Å; T2170-D2175 WeakPolarHBondContact CB-OD2 3.39Å; T2170-D2175 PolarHBondContact OG1-OD2 3.29Å; A2172-D2175 WeakPolarHBondContact CB-OD1 3.13Å; D2175-F2177 VanDerWaalsContact C-N 3.32Å; D2175-E2178 PolarHBondContact O-N 3.22Å; D2175-A2179 VanDerWaalsContact O-CB 3.32Å; D2175-A2179 WeakPolarHBondContact O-CB 3.47Å; D2175-A2179 PolarHBondContact O-N 3.48Å
2176L84.4Confident81.1Confident23 Ų2366.1 Ų66.112%0.1237%0.368CS..Hα-helixtrans-66.4-40.4169.7173.861.6000110.2P2130 F2166 A2172 E2174 I2180P2130-L2176 HydrophobicContact CB-CD2 4.01Å; F2166-L2176 HydrophobicContact CB-CD1 4.3Å; A2172-L2176 PolarHBondContact O-N 3.43Å; E2174-L2176 VanDerWaalsContact C-N 3.35Å; E2174-L2176 PolarHBondContact O-N 3.16Å; L2176-I2180 HydrophobicContact CD1-CD1 4.17Å; L2176-I2180 HydrophobicContact CG-CD1 4.21Å; L2176-I2180 WeakPolarHBondContact O-CG1 3.32Å; L2176-I2180 PolarHBondContact O-N 2.82Å; L2176-I2180 VanDerWaalsContact O-N 3.16Å
2177F88.8Confident80.9Confident41 Ų4168.8 Ų68.818%0.1838%0.38CS..Hα-helixtrans-61.8-58171.2-67.4-6.6000108.9P2130 L2138 Q2173 E2174 D2175 A2179 I2180 L2181P2130-F2177 HydrophobicContact CB-CE1 4.1Å; L2138-F2177 HydrophobicContact CD1-CB 4.09Å; L2138-F2177 HydrophobicContact CD1-CD1 3.49Å; L2138-F2177 VanDerWaalsContact CD1-CD1 3.49Å; L2138-F2177 HydrophobicContact CD1-CE1 4.08Å; L2138-F2177 HydrophobicContact CD1-CG 3.9Å; L2138-F2177 HydrophobicContact CD2-CD1 3.52Å; L2138-F2177 HydrophobicContact CD2-CD2 4.2Å; L2138-F2177 HydrophobicContact CD2-CE1 3.27Å; L2138-F2177 HydrophobicContact CD2-CE2 3.99Å; L2138-F2177 HydrophobicContact CD2-CG 3.98Å; L2138-F2177 HydrophobicContact CD2-CZ 3.52Å; L2138-F2177 HydrophobicContact CG-CD1 4.14Å; L2138-F2177 HydrophobicContact CG-CE1 4.33Å; L2138-F2177 HydrophobicContact CG-CG 4.47Å; Q2173-F2177 HydrophobicContact CG-CD1 4.24Å; Q2173-F2177 HydrophobicContact CG-CE1 3.71Å; Q2173-F2177 HydrophobicContact CG-CE2 4.18Å; Q2173-F2177 HydrophobicContact CG-CZ 3.69Å; Q2173-F2177 VanDerWaalsContact NE2-CE2 3.32Å; Q2173-F2177 WeakPolarHBondContact O-CB 3.45Å; Q2173-F2177 VanDerWaalsContact O-CD1 3.32Å; Q2173-F2177 WeakPolarHBondContact O-CD1 3.44Å; Q2173-F2177 WeakPolarHBondContact O-CG 3.33Å; Q2173-F2177 PolarHBondContact O-N 3.48Å; E2174-F2177 CarbonylContact O-C 3.24Å; E2174-F2177 WeakPolarHBondContact O-CA 3.31Å; E2174-F2177 WeakPolarHBondContact O-CB 3.35Å; E2174-F2177 PolarHBondContact O-N 2.69Å; E2174-F2177 VanDerWaalsContact O-N 3.17Å; D2175-F2177 VanDerWaalsContact C-N 3.32Å; F2177-A2179 PolarHBondContact O-N 2.93Å; F2177-A2179 VanDerWaalsContact O-N 3.1Å; F2177-I2180 CarbonylContact O-C 3.51Å; F2177-I2180 WeakPolarHBondContact O-CA 3.34Å; F2177-I2180 WeakPolarHBondContact O-CB 3.42Å; F2177-I2180 PolarHBondContact O-N 2.88Å; F2177-L2181 WeakPolarHBondContact O-CG 3.39Å; F2177-L2181 PolarHBondContact O-N 2.8Å
2178E85.7Confident81.1Confident137 Ų13767.7 Ų67.764%0.6437%0.374SS*.Hα-helixtrans-52.8-35.4-180-68-166.5164.800113.7E2174 D2175 L2181 S2182E2174-E2178 PolarHBondContact O-N 2.89Å; D2175-E2178 PolarHBondContact O-N 3.22Å; E2178-L2181 PolarHBondContact O-N 2.86Å; E2178-S2182 WeakPolarHBondContact O-CB 3.21Å; E2178-S2182 PolarHBondContact O-N 3.33Å; E2178-S2182 PolarHBondContact O-OG 2.86Å
2179A85.8Confident80.8Confident19 Ų1973.3 Ų73.316%0.15740%0.398CS..Hα-helixtrans-61.4-51.8171.800000111.9F2166 D2175 F2177 L2181 S2182 G2183F2166-A2179 HydrophobicContact CB-CB 4.06Å; F2166-A2179 HydrophobicContact CD1-CB 4.44Å; F2166-A2179 WeakPolarHBondContact CD1-O 3.43Å; D2175-A2179 VanDerWaalsContact O-CB 3.32Å; D2175-A2179 WeakPolarHBondContact O-CB 3.47Å; D2175-A2179 PolarHBondContact O-N 3.48Å; F2177-A2179 PolarHBondContact O-N 2.93Å; F2177-A2179 VanDerWaalsContact O-N 3.1Å; A2179-L2181 VanDerWaalsContact C-N 3.35Å; A2179-L2181 PolarHBondContact O-N 3.49Å; A2179-S2182 PolarHBondContact O-N 3.06Å; A2179-S2182 PolarHBondContact O-OG 3.37Å; A2179-G2183 PolarHBondContact O-N 3.33Å
2180I89Confident81.1Confident0 Ų072.2 Ų72.20%039%0.393CS..Hα-helixtrans-60.4-42.9174.1-67.1165.4000111.1P2130 P2135 L2138 W2150 F2166 L2176 F2177 S2182 G2183P2130-I2180 VanDerWaalsContact O-CD1 3.3Å; P2130-I2180 WeakPolarHBondContact O-CD1 3.33Å; P2135-I2180 HydrophobicContact CB-CG2 4.28Å; P2135-I2180 HydrophobicContact CG-CG2 3.93Å; L2138-I2180 HydrophobicContact CD1-CB 3.78Å; L2138-I2180 HydrophobicContact CD1-CD1 3.76Å; L2138-I2180 HydrophobicContact CD1-CG1 4.37Å; L2138-I2180 HydrophobicContact CD1-CG2 3.58Å; W2150-I2180 HydrophobicContact CZ2-CG2 3.83Å; F2166-I2180 HydrophobicContact CB-CG1 3.55Å; F2166-I2180 HydrophobicContact CD1-CG1 4.45Å; F2166-I2180 HydrophobicContact CD2-CG1 3.79Å; F2166-I2180 HydrophobicContact CG-CB 4.39Å; F2166-I2180 HydrophobicContact CG-CG1 3.64Å; L2176-I2180 HydrophobicContact CD1-CD1 4.17Å; L2176-I2180 HydrophobicContact CG-CD1 4.21Å; L2176-I2180 WeakPolarHBondContact O-CG1 3.32Å; L2176-I2180 PolarHBondContact O-N 2.82Å; L2176-I2180 VanDerWaalsContact O-N 3.16Å; F2177-I2180 CarbonylContact O-C 3.51Å; F2177-I2180 WeakPolarHBondContact O-CA 3.34Å; F2177-I2180 WeakPolarHBondContact O-CB 3.42Å; F2177-I2180 PolarHBondContact O-N 2.88Å; I2180-S2182 VanDerWaalsContact C-N 3.32Å; I2180-S2182 PolarHBondContact O-N 2.87Å; I2180-G2183 PolarHBondContact O-N 2.78Å
2181L86.8Confident82.3Confident28 Ų2870.9 Ų70.915%0.14738%0.379CS..Hα-helixtrans-64.4-39.2180-51.1-163.6000111H17 L2138 A2139 F2177 E2178 A2179 G2183 L2209H17-L2181 VanDerWaalsContact CD2-C 3.49Å; H17-L2181 WeakPolarHBondContact CD2-CA 3.36Å; H17-L2181 PolarHBondContact CD2-O 2.88Å; H17-L2181 WeakPolarHBondContact NE2-CA 3.14Å; H17-L2181 VanDerWaalsContact NE2-CB 3.28Å; H17-L2181 WeakPolarHBondContact NE2-CB 3.3Å; H17-L2181 WeakPolarHBondContact NE2-CD2 3.09Å; L2138-L2181 HydrophobicContact CB-CD2 3.51Å; L2138-L2181 HydrophobicContact CD1-CD2 4Å; L2138-L2181 HydrophobicContact CG-CD2 4.44Å; A2139-L2181 HydrophobicContact CB-CD1 4.16Å; A2139-L2181 HydrophobicContact CB-CD2 3.9Å; F2177-L2181 WeakPolarHBondContact O-CG 3.39Å; F2177-L2181 PolarHBondContact O-N 2.8Å; E2178-L2181 PolarHBondContact O-N 2.86Å; A2179-L2181 VanDerWaalsContact C-N 3.35Å; A2179-L2181 PolarHBondContact O-N 3.49Å; L2181-G2183 PolarHBondContact O-N 2.97Å; L2181-L2209 WeakPolarHBondContact O-CD1 3.12Å
2182S85.5Confident83Confident46 Ų4667.7 Ų67.732%0.32235%0.345SS..Hα-helixtrans-71.2-19.8179.177.30000113.2E2178 A2179 I2180 K2184 L2209E2178-S2182 WeakPolarHBondContact O-CB 3.21Å; E2178-S2182 PolarHBondContact O-N 3.33Å; E2178-S2182 PolarHBondContact O-OG 2.86Å; A2179-S2182 PolarHBondContact O-N 3.06Å; A2179-S2182 PolarHBondContact O-OG 3.37Å; I2180-S2182 VanDerWaalsContact C-N 3.32Å; I2180-S2182 PolarHBondContact O-N 2.87Å; S2182-K2184 PolarHBondContact O-N 2.96Å; S2182-K2184 WeakPolarHBondContact OG-CB 3.23Å; S2182-K2184 PolarHBondContact OG-N 2.75Å; S2182-K2184 VanDerWaalsContact OG-N 3.15Å; S2182-L2209 WeakPolarHBondContact O-CD2 3.11Å
2183G83.9Confident83.6Confident11 Ų1174.6 Ų74.611%0.11336%0.364CS..THydrogen-bonded Turntrans60.97.8-171.700000115.1A2179 I2180 L2181 Y2185A2179-G2183 PolarHBondContact O-N 3.33Å; I2180-G2183 PolarHBondContact O-N 2.78Å; L2181-G2183 PolarHBondContact O-N 2.97Å; G2183-Y2185 VanDerWaalsContact O-CD1 3.25Å; G2183-Y2185 WeakPolarHBondContact O-CD1 3.15Å; G2183-Y2185 PolarHBondContact O-N 3.33Å
2184K81.1Confident83.7Confident175 Ų17572.8 Ų72.876%0.76137%0.374SS*.  trans-8889.7-174.5-70.7169.7-174.5178.60110.7S2182S2182-K2184 PolarHBondContact O-N 2.96Å; S2182-K2184 WeakPolarHBondContact OG-CB 3.23Å; S2182-K2184 PolarHBondContact OG-N 2.75Å; S2182-K2184 VanDerWaalsContact OG-N 3.15Å
2185Y88.8Confident84Confident40 Ų4067.7 Ų67.716%0.15735%0.351CS..  trans-10616616163.6-77.4000109.7Y2157 P2165 F2166 G2183 F2187 V2203 N2204 L2207Y2157-Y2185 HydrophobicContact CD2-CD2 4.05Å; Y2157-Y2185 HydrophobicContact CD2-CE2 4.33Å; Y2157-Y2185 AromaticContact CE2-CD2 3.68Å; Y2157-Y2185 HydrophobicContact CE2-CD2 3.68Å; Y2157-Y2185 HydrophobicContact CE2-CE2 4.28Å; P2165-Y2185 HydrophobicContact CB-CD2 4.2Å; P2165-Y2185 HydrophobicContact CB-CG 3.89Å; P2165-Y2185 WeakPolarHBondContact O-CB 3.49Å; F2166-Y2185 AromaticContact CE1-CD1 3.69Å; F2166-Y2185 HydrophobicContact CE1-CD1 3.69Å; F2166-Y2185 HydrophobicContact CE1-CG 4.24Å; F2166-Y2185 AromaticContact CZ-CD1 3.48Å; F2166-Y2185 HydrophobicContact CZ-CD1 3.48Å; F2166-Y2185 VanDerWaalsContact CZ-CD1 3.48Å; F2166-Y2185 HydrophobicContact CZ-CE1 4.21Å; F2166-Y2185 HydrophobicContact CZ-CG 4.15Å; G2183-Y2185 VanDerWaalsContact O-CD1 3.25Å; G2183-Y2185 WeakPolarHBondContact O-CD1 3.15Å; G2183-Y2185 PolarHBondContact O-N 3.33Å; Y2185-F2187 AromaticContact CE2-CE1 3.92Å; Y2185-F2187 HydrophobicContact CE2-CE1 3.92Å; Y2185-F2187 HydrophobicContact CE2-CE2 4.46Å; Y2185-F2187 AromaticContact CE2-CZ 3.84Å; Y2185-F2187 HydrophobicContact CE2-CZ 3.84Å; Y2185-V2203 HydrophobicContact CE2-CG1 4.37Å; Y2185-N2204 PolarHBondContact OH-OD1 2.96Å; Y2185-L2207 HydrophobicContact CE1-CB 3.84Å; Y2185-L2207 WeakPolarHBondContact CE1-O 3.35Å; Y2185-L2207 HydrophobicContact CE2-CB 4.39Å; Y2185-L2207 HydrophobicContact CE2-CD1 4.44Å; Y2185-L2207 WeakPolarHBondContact OH-CB 3.32Å
2186A82.9Confident84.4Confident58 Ų5867.1 Ų67.148%0.47935%0.351SS..  trans-129.9142.7177.500000111.1Y2157 V2188Y2157-A2186 PolarHBondContact OH-O 2.67Å; A2186-V2188 HydrophobicContact CB-CG2 4.21Å; A2186-V2188 PolarHBondContact O-N 2.77Å
2187F88.2Confident84.5Confident58 Ų5871.6 Ų71.625%0.25438%0.375SS..  trans-78.271.5165.3-61.6-55.2000109.4Y2157 Y2185 E2189 W2192 K2200 V2203 N2204Y2157-F2187 HydrophobicContact CD2-CE1 4.29Å; Y2157-F2187 HydrophobicContact CE2-CD1 4.06Å; Y2157-F2187 HydrophobicContact CE2-CE1 4.16Å; Y2185-F2187 AromaticContact CE2-CE1 3.92Å; Y2185-F2187 HydrophobicContact CE2-CE1 3.92Å; Y2185-F2187 HydrophobicContact CE2-CE2 4.46Å; Y2185-F2187 AromaticContact CE2-CZ 3.84Å; Y2185-F2187 HydrophobicContact CE2-CZ 3.84Å; F2187-E2189 PolarHBondContact O-N 2.74Å; F2187-E2189 VanDerWaalsContact O-N 3.09Å; F2187-W2192 HydrophobicContact CB-CB 3.86Å; F2187-W2192 HydrophobicContact CB-CD2 4.11Å; F2187-W2192 HydrophobicContact CB-CG 3.78Å; F2187-W2192 AromaticContact CD1-CD2 3.48Å; F2187-W2192 HydrophobicContact CD1-CD2 3.48Å; F2187-W2192 VanDerWaalsContact CD1-CD2 3.48Å; F2187-W2192 AromaticContact CD1-CE2 3.74Å; F2187-W2192 AromaticContact CD1-CE3 3.46Å; F2187-W2192 HydrophobicContact CD1-CE3 3.46Å; F2187-W2192 VanDerWaalsContact CD1-CE3 3.46Å; F2187-W2192 HydrophobicContact CD1-CG 4.07Å; F2187-W2192 HydrophobicContact CD1-CH2 4.01Å; F2187-W2192 HydrophobicContact CD1-CZ2 4.03Å; F2187-W2192 AromaticContact CD1-CZ3 3.73Å; F2187-W2192 HydrophobicContact CD1-CZ3 3.73Å; F2187-W2192 HydrophobicContact CE1-CD2 4.32Å; F2187-W2192 AromaticContact CE1-CE3 3.96Å; F2187-W2192 HydrophobicContact CE1-CE3 3.96Å; F2187-W2192 AromaticContact CE1-CH2 3.92Å; F2187-W2192 HydrophobicContact CE1-CH2 3.92Å; F2187-W2192 HydrophobicContact CE1-CZ2 4.28Å; F2187-W2192 AromaticContact CE1-CZ3 3.73Å; F2187-W2192 HydrophobicContact CE1-CZ3 3.73Å; F2187-W2192 HydrophobicContact CG-CD2 4.2Å; F2187-W2192 HydrophobicContact CG-CE3 4.25Å; F2187-W2192 HydrophobicContact CG-CG 4.39Å; F2187-K2200 HydrophobicContact CD1-CG 4.32Å; F2187-K2200 HydrophobicContact CD2-CB 4.43Å; F2187-K2200 HydrophobicContact CD2-CG 4.3Å; F2187-K2200 HydrophobicContact CE1-CG 4.35Å; F2187-K2200 HydrophobicContact CE2-CB 4.06Å; F2187-K2200 HydrophobicContact CE2-CG 4.34Å; F2187-K2200 HydrophobicContact CG-CG 4.28Å; F2187-K2200 HydrophobicContact CZ-CB 4.11Å; F2187-K2200 HydrophobicContact CZ-CG 4.36Å; F2187-V2203 HydrophobicContact CE1-CB 4.05Å; F2187-V2203 HydrophobicContact CE1-CG1 3.68Å; F2187-V2203 HydrophobicContact CZ-CB 4.13Å; F2187-V2203 HydrophobicContact CZ-CG1 3.99Å; F2187-N2204 WeakPolarHBondContact CE2-OD1 3.37Å; F2187-N2204 VanDerWaalsContact CZ-OD1 3.28Å; F2187-N2204 WeakPolarHBondContact CZ-OD1 3.27Å
2188V84Confident84.5Confident65 Ų6571.3 Ų71.339%0.39438%0.38SS..  trans-52.2117-174.9-178.60000109.9A2186 Q2190 H2191 W2192A2186-V2188 HydrophobicContact CB-CG2 4.21Å; A2186-V2188 PolarHBondContact O-N 2.77Å; V2188-Q2190 PolarHBondContact O-N 2.66Å; V2188-H2191 PolarHBondContact O-N 2.87Å; V2188-W2192 PolarHBondContact O-N 3.17Å
2189E74.3Confident84.7Confident133 Ų13364.8 Ų64.862%0.62135%0.35SS*.Hα-helixtrans-53.1-39.9-165.1-165.4-162.1149.700112.8F2187 H2191 W2192 R2193F2187-E2189 PolarHBondContact O-N 2.74Å; F2187-E2189 VanDerWaalsContact O-N 3.09Å; E2189-H2191 PolarHBondContact O-N 3.47Å; E2189-W2192 PolarHBondContact O-N 2.79Å; E2189-R2193 WeakPolarHBondContact O-CB 3.22Å; E2189-R2193 PolarHBondContact O-N 3.41Å; E2189-R2193 IonicContact OE1-NH1 2.67Å
2190Q77.1Confident85Confident177 Ų17765.7 Ų65.783%0.82735%0.35SS*.Hα-helixtrans-56.7-24.5179.3-61.6-175.56.100114.4V2188V2188-Q2190 PolarHBondContact O-N 2.66Å
2191H80.7Confident85.1Confident79 Ų7970.5 Ų70.537%0.36637%0.374SS..Hα-helixtrans-110.4-32.9178.9-60.8-48.8000112.2C2161 Y2163 V2188 E2189C2161-H2191 HydrophobicContact CB-CB 4.1Å; Y2163-H2191 HydrophobicContact CE1-CB 3.99Å; Y2163-H2191 AromaticContact CE1-CD2 3.28Å; Y2163-H2191 WeakPolarHBondContact CE1-CD2 3.25Å; Y2163-H2191 AromaticContact CE1-CG 3.75Å; Y2163-H2191 AromaticContact CZ-CD2 3.83Å; V2188-H2191 PolarHBondContact O-N 2.87Å; E2189-H2191 PolarHBondContact O-N 3.47Å
2192W87.6Confident85.4Confident2 Ų269.1 Ų69.11%0.00837%0.367CS..Hα-helixtrans-96.9-1.6-173-72.282.8000115Y2157 L2160 C2161 Y2163 F2187 V2188 E2189 G2194 I2195 K2200 V2203Y2157-W2192 HydrophobicContact CD1-CZ2 4.03Å; Y2157-W2192 AromaticContact CD2-CH2 3.86Å; Y2157-W2192 HydrophobicContact CD2-CH2 3.86Å; Y2157-W2192 AromaticContact CD2-CZ2 3.37Å; Y2157-W2192 HydrophobicContact CD2-CZ2 3.37Å; Y2157-W2192 HydrophobicContact CE1-CZ2 4.07Å; Y2157-W2192 AromaticContact CE2-CE2 3.76Å; Y2157-W2192 HydrophobicContact CE2-CH2 4.2Å; Y2157-W2192 AromaticContact CE2-CZ2 3.38Å; Y2157-W2192 HydrophobicContact CE2-CZ2 3.38Å; Y2157-W2192 AromaticContact CE2-NE1 3.9Å; Y2157-W2192 HydrophobicContact CG-CH2 4.23Å; Y2157-W2192 AromaticContact CG-CZ2 3.68Å; Y2157-W2192 HydrophobicContact CG-CZ2 3.68Å; Y2157-W2192 AromaticContact CZ-CE2 3.88Å; Y2157-W2192 AromaticContact CZ-CZ2 3.74Å; Y2157-W2192 AromaticContact CZ-NE1 3.58Å; Y2157-W2192 PolarHBondContact OH-NE1 2.99Å; L2160-W2192 HydrophobicContact CB-CH2 3.79Å; L2160-W2192 HydrophobicContact CB-CZ2 4.32Å; L2160-W2192 HydrophobicContact CB-CZ3 4.2Å; L2160-W2192 HydrophobicContact CD1-CH2 3.86Å; L2160-W2192 HydrophobicContact CD1-CZ3 3.96Å; C2161-W2192 HydrophobicContact CB-CZ2 3.91Å; C2161-W2192 PolarHBondContact SG-NE1 3.35Å; C2161-W2192 VanDerWaalsContact SG-NE1 3.43Å; Y2163-W2192 PolarHBondContact OH-NE1 3.46Å; F2187-W2192 HydrophobicContact CB-CB 3.86Å; F2187-W2192 HydrophobicContact CB-CD2 4.11Å; F2187-W2192 HydrophobicContact CB-CG 3.78Å; F2187-W2192 AromaticContact CD1-CD2 3.48Å; F2187-W2192 HydrophobicContact CD1-CD2 3.48Å; F2187-W2192 VanDerWaalsContact CD1-CD2 3.48Å; F2187-W2192 AromaticContact CD1-CE2 3.74Å; F2187-W2192 AromaticContact CD1-CE3 3.46Å; F2187-W2192 HydrophobicContact CD1-CE3 3.46Å; F2187-W2192 VanDerWaalsContact CD1-CE3 3.46Å; F2187-W2192 HydrophobicContact CD1-CG 4.07Å; F2187-W2192 HydrophobicContact CD1-CH2 4.01Å; F2187-W2192 HydrophobicContact CD1-CZ2 4.03Å; F2187-W2192 AromaticContact CD1-CZ3 3.73Å; F2187-W2192 HydrophobicContact CD1-CZ3 3.73Å; F2187-W2192 HydrophobicContact CE1-CD2 4.32Å; F2187-W2192 AromaticContact CE1-CE3 3.96Å; F2187-W2192 HydrophobicContact CE1-CE3 3.96Å; F2187-W2192 AromaticContact CE1-CH2 3.92Å; F2187-W2192 HydrophobicContact CE1-CH2 3.92Å; F2187-W2192 HydrophobicContact CE1-CZ2 4.28Å; F2187-W2192 AromaticContact CE1-CZ3 3.73Å; F2187-W2192 HydrophobicContact CE1-CZ3 3.73Å; F2187-W2192 HydrophobicContact CG-CD2 4.2Å; F2187-W2192 HydrophobicContact CG-CE3 4.25Å; F2187-W2192 HydrophobicContact CG-CG 4.39Å; V2188-W2192 PolarHBondContact O-N 3.17Å; E2189-W2192 PolarHBondContact O-N 2.79Å; W2192-G2194 VanDerWaalsContact C-N 3.29Å; W2192-G2194 PolarHBondContact O-N 3.36Å; W2192-I2195 HydrophobicContact CE3-CB 3.88Å; W2192-I2195 HydrophobicContact CE3-CG1 4.19Å; W2192-I2195 HydrophobicContact CE3-CG2 3.69Å; W2192-I2195 HydrophobicContact CZ3-CB 4.36Å; W2192-I2195 HydrophobicContact CZ3-CG2 3.69Å; W2192-I2195 PolarHBondContact O-N 2.81Å; W2192-K2200 HydrophobicContact CE3-CG 3.83Å; W2192-K2200 HydrophobicContact CZ3-CG 4.16Å; W2192-K2200 WeakPolarHBondContact O-CE 3.25Å; W2192-K2200 PolarHBondContact O-NZ 3.48Å; W2192-V2203 HydrophobicContact CH2-CG1 4.32Å; W2192-V2203 HydrophobicContact CH2-CG2 4.09Å; W2192-V2203 HydrophobicContact CZ3-CG2 4.36Å
2193R80.8Confident85.8Confident183 Ų18367 Ų6769%0.69135%0.351SS*.THydrogen-bonded Turntrans-61.5-33.1177.6-178.6170.4-179.1160.5-0.3113.9E2189E2189-R2193 WeakPolarHBondContact O-CB 3.22Å; E2189-R2193 PolarHBondContact O-N 3.41Å; E2189-R2193 IonicContact OE1-NH1 2.67Å
2194G80.3Confident86.2Confident71 Ų7169.1 Ų69.173%0.73236%0.36SS*.THydrogen-bonded Turntrans-88.3-6.3178.700000115.1W2192W2192-G2194 VanDerWaalsContact C-N 3.29Å; W2192-G2194 PolarHBondContact O-N 3.36Å
2195I88.4Confident86.8Confident24 Ų2460.9 Ų60.912%0.12333%0.326CS..SBendtrans-94.3134.3-175.4-58.7-58000110E2064 L2160 W2192 A2199 K2200E2064-I2195 HydrophobicContact CG-CD1 4.32Å; E2064-I2195 WeakPolarHBondContact OE1-CA 3.38Å; L2160-I2195 HydrophobicContact CB-CD1 4.31Å; L2160-I2195 HydrophobicContact CD1-CG2 4.26Å; L2160-I2195 HydrophobicContact CD2-CD1 4.22Å; L2160-I2195 HydrophobicContact CD2-CG2 4.36Å; W2192-I2195 HydrophobicContact CE3-CB 3.88Å; W2192-I2195 HydrophobicContact CE3-CG1 4.19Å; W2192-I2195 HydrophobicContact CE3-CG2 3.69Å; W2192-I2195 HydrophobicContact CZ3-CB 4.36Å; W2192-I2195 HydrophobicContact CZ3-CG2 3.69Å; W2192-I2195 PolarHBondContact O-N 2.81Å; I2195-A2199 HydrophobicContact CG2-CB 3.46Å; I2195-A2199 VanDerWaalsContact CG2-CB 3.46Å; I2195-K2200 VanDerWaalsContact O-CE 3.27Å; I2195-K2200 WeakPolarHBondContact O-CE 2.91Å; I2195-K2200 PolarHBondContact O-NZ 3.49Å
2196S88.2Confident87.1Confident39 Ų3959 Ų5927%0.27332%0.318SS..  trans-61.8155.6-173.974.50000113.5E2064 A2198 A2199 K2200E2064-S2196 PolarHBondContact OE1-N 2.72Å; E2064-S2196 WeakPolarHBondContact OE2-CB 3.23Å; E2064-S2196 PolarHBondContact OE2-OG 2.89Å; S2196-A2198 PolarHBondContact O-N 3.24Å; S2196-A2199 WeakPolarHBondContact O-CB 3.41Å; S2196-A2199 PolarHBondContact O-N 2.85Å; S2196-A2199 WeakPolarHBondContact OG-CB 3.39Å; S2196-A2199 PolarHBondContact OG-N 2.8Å; S2196-K2200 WeakPolarHBondContact O-CG 3.16Å; S2196-K2200 PolarHBondContact O-N 3.38Å
2197N86.3Confident87.7Confident117 Ų11756.2 Ų56.263%0.62630%0.295SS*.Hα-helixtrans-67.6-27.2173-71.7-10.5000111.7K2200 M2201N2197-K2200 PolarHBondContact O-N 3.05Å; N2197-M2201 VanDerWaalsContact O-CB 3.28Å; N2197-M2201 WeakPolarHBondContact O-CB 3.33Å; N2197-M2201 VanDerWaalsContact O-CG 3.23Å; N2197-M2201 WeakPolarHBondContact O-CG 3.25Å; N2197-M2201 PolarHBondContact O-N 3.21Å
2198A89.1Confident87.9Confident36 Ų3657.6 Ų57.630%0.29830%0.302SS..Hα-helixtrans-67.3-40.3171.500000111.7S2196 M2201 L2202 H2223 W2225S2196-A2198 PolarHBondContact O-N 3.24Å; A2198-M2201 PolarHBondContact O-N 3.35Å; A2198-L2202 WeakPolarHBondContact O-CB 3.37Å; A2198-L2202 PolarHBondContact O-N 3.26Å; A2198-H2223 PolarHBondContact O-CE1 3.04Å; A2198-H2223 VanDerWaalsContact O-CE1 3.28Å; A2198-W2225 HydrophobicContact CB-CB 3.98Å; A2198-W2225 HydrophobicContact CB-CG 4.32Å
2199A89.8Confident88Confident0 Ų056.4 Ų56.40%029%0.294CS..Hα-helixtrans-62.5-44.4170.500000111.9E2064 L2160 I2195 S2196 L2202 V2203 W2225E2064-A2199 WeakPolarHBondContact OE2-CB 2.94Å; L2160-A2199 HydrophobicContact CD1-CB 4.06Å; I2195-A2199 HydrophobicContact CG2-CB 3.46Å; I2195-A2199 VanDerWaalsContact CG2-CB 3.46Å; S2196-A2199 WeakPolarHBondContact O-CB 3.41Å; S2196-A2199 PolarHBondContact O-N 2.85Å; S2196-A2199 WeakPolarHBondContact OG-CB 3.39Å; S2196-A2199 PolarHBondContact OG-N 2.8Å; A2199-L2202 CarbonylContact O-C 3.37Å; A2199-L2202 PolarHBondContact O-N 2.9Å; A2199-V2203 WeakPolarHBondContact O-CB 3.46Å; A2199-V2203 VanDerWaalsContact O-CG2 3.24Å; A2199-V2203 WeakPolarHBondContact O-CG2 3.34Å; A2199-V2203 PolarHBondContact O-N 3.47Å; A2199-W2225 HydrophobicContact CB-CD2 4.36Å; A2199-W2225 HydrophobicContact CB-CG 4.43Å; A2199-W2225 HydrophobicContact CB-CZ2 4.1Å
2200K91.8Very high88.4Confident37 Ų3751.3 Ų51.316%0.16127%0.271CS..Hα-helixtrans-64.8-39176.6-69.7157.3179.31510112.5F2187 W2192 I2195 S2196 N2197 V2203 N2204F2187-K2200 HydrophobicContact CD1-CG 4.32Å; F2187-K2200 HydrophobicContact CD2-CB 4.43Å; F2187-K2200 HydrophobicContact CD2-CG 4.3Å; F2187-K2200 HydrophobicContact CE1-CG 4.35Å; F2187-K2200 HydrophobicContact CE2-CB 4.06Å; F2187-K2200 HydrophobicContact CE2-CG 4.34Å; F2187-K2200 HydrophobicContact CG-CG 4.28Å; F2187-K2200 HydrophobicContact CZ-CB 4.11Å; F2187-K2200 HydrophobicContact CZ-CG 4.36Å; W2192-K2200 HydrophobicContact CE3-CG 3.83Å; W2192-K2200 HydrophobicContact CZ3-CG 4.16Å; W2192-K2200 WeakPolarHBondContact O-CE 3.25Å; W2192-K2200 PolarHBondContact O-NZ 3.48Å; I2195-K2200 VanDerWaalsContact O-CE 3.27Å; I2195-K2200 WeakPolarHBondContact O-CE 2.91Å; I2195-K2200 PolarHBondContact O-NZ 3.49Å; S2196-K2200 WeakPolarHBondContact O-CG 3.16Å; S2196-K2200 PolarHBondContact O-N 3.38Å; N2197-K2200 PolarHBondContact O-N 3.05Å; K2200-V2203 PolarHBondContact O-N 3.36Å; K2200-N2204 WeakPolarHBondContact O-CB 3.21Å; K2200-N2204 PolarHBondContact O-N 2.93Å
2201M91.2Very high88.8Confident101 Ų10142.9 Ų42.950%0.49823%0.231SC..Hα-helixtrans-66.9-36.2172.9-76.9177.361.900111.7N2197 A2198 G2205N2197-M2201 VanDerWaalsContact O-CB 3.28Å; N2197-M2201 WeakPolarHBondContact O-CB 3.33Å; N2197-M2201 VanDerWaalsContact O-CG 3.23Å; N2197-M2201 WeakPolarHBondContact O-CG 3.25Å; N2197-M2201 PolarHBondContact O-N 3.21Å; A2198-M2201 PolarHBondContact O-N 3.35Å; M2201-G2205 VanDerWaalsContact O-CA 3.23Å; M2201-G2205 WeakPolarHBondContact O-CA 3.29Å; M2201-G2205 PolarHBondContact O-N 2.88Å
2202L93.8Very high89Confident0 Ų039.6 Ų39.60%022%0.216CC..Hα-helixtrans-71.6-34.3171.8-172.356.6000112.2L2156 A2198 A2199 G2205 M2206 V2220 H2223 W2225 I2226L2156-L2202 HydrophobicContact CD2-CD2 3.91Å; L2156-L2202 HydrophobicContact CD2-CG 4.03Å; A2198-L2202 WeakPolarHBondContact O-CB 3.37Å; A2198-L2202 PolarHBondContact O-N 3.26Å; A2199-L2202 CarbonylContact O-C 3.37Å; A2199-L2202 PolarHBondContact O-N 2.9Å; L2202-G2205 CarbonylContact O-C 3.14Å; L2202-G2205 WeakPolarHBondContact O-CA 3.19Å; L2202-G2205 PolarHBondContact O-N 2.86Å; L2202-M2206 HydrophobicContact CD1-CG 4.09Å; L2202-M2206 HydrophobicContact CD1-SD 4.12Å; L2202-M2206 HydrophobicContact CD2-SD 4.18Å; L2202-M2206 HydrophobicContact CG-CG 4.21Å; L2202-M2206 HydrophobicContact CG-SD 3.84Å; L2202-M2206 VanDerWaalsContact O-CB 3.26Å; L2202-M2206 WeakPolarHBondContact O-CB 3.39Å; L2202-M2206 WeakPolarHBondContact O-CG 3.3Å; L2202-M2206 PolarHBondContact O-N 3.07Å; L2202-V2220 HydrophobicContact CD1-CB 4.27Å; L2202-V2220 HydrophobicContact CD1-CG1 4.06Å; L2202-V2220 HydrophobicContact CD1-CG2 3.69Å; L2202-V2220 HydrophobicContact CD2-CG1 4.08Å; L2202-H2223 HydrophobicContact CD1-CB 3.73Å; L2202-W2225 HydrophobicContact CB-CB 4.4Å; L2202-W2225 HydrophobicContact CD2-CB 4.28Å; L2202-W2225 HydrophobicContact CD2-CD2 4.13Å; L2202-W2225 HydrophobicContact CD2-CE3 3.29Å; L2202-W2225 HydrophobicContact CD2-CZ3 3.89Å; L2202-I2226 HydrophobicContact CD2-CD1 4.06Å; L2202-I2226 HydrophobicContact CD2-CG1 3.92Å
2203V94.6Very high89Confident0 Ų043.4 Ų43.40%024%0.237CC..Hα-helixtrans-74.3-40.4178.1173.10000110.3L2156 Y2157 L2160 Y2185 F2187 W2192 A2199 K2200 G2205 M2206 L2207L2156-V2203 HydrophobicContact CB-CG2 4.47Å; L2156-V2203 HydrophobicContact CD2-CG2 3.64Å; L2156-V2203 HydrophobicContact CG-CG2 3.75Å; Y2157-V2203 HydrophobicContact CD2-CG1 3.83Å; L2160-V2203 HydrophobicContact CD1-CG2 3.72Å; Y2185-V2203 HydrophobicContact CE2-CG1 4.37Å; F2187-V2203 HydrophobicContact CE1-CB 4.05Å; F2187-V2203 HydrophobicContact CE1-CG1 3.68Å; F2187-V2203 HydrophobicContact CZ-CB 4.13Å; F2187-V2203 HydrophobicContact CZ-CG1 3.99Å; W2192-V2203 HydrophobicContact CH2-CG1 4.32Å; W2192-V2203 HydrophobicContact CH2-CG2 4.09Å; W2192-V2203 HydrophobicContact CZ3-CG2 4.36Å; A2199-V2203 WeakPolarHBondContact O-CB 3.46Å; A2199-V2203 VanDerWaalsContact O-CG2 3.24Å; A2199-V2203 WeakPolarHBondContact O-CG2 3.34Å; A2199-V2203 PolarHBondContact O-N 3.47Å; K2200-V2203 PolarHBondContact O-N 3.36Å; V2203-G2205 VanDerWaalsContact C-N 3.29Å; V2203-G2205 PolarHBondContact O-N 3.48Å; V2203-M2206 CarbonylContact O-C 3.53Å; V2203-M2206 VanDerWaalsContact O-C 3.3Å; V2203-M2206 WeakPolarHBondContact O-CA 3.44Å; V2203-M2206 PolarHBondContact O-N 2.69Å; V2203-L2207 HydrophobicContact CG1-CB 4.49Å; V2203-L2207 HydrophobicContact CG1-CD1 3.84Å; V2203-L2207 HydrophobicContact CG1-CG 4.39Å; V2203-L2207 WeakPolarHBondContact O-CA 3.27Å; V2203-L2207 VanDerWaalsContact O-CB 3.25Å; V2203-L2207 WeakPolarHBondContact O-CB 3.44Å; V2203-L2207 PolarHBondContact O-N 2.85Å
2204N91.9Very high89.7Confident56 Ų5635 Ų3530%0.29921%0.205SC..Hα-helixtrans-53.6-54.8161.4-74.2-11.5000108.5Y2185 F2187 K2200 M2206 L2207 Q2208 R2214Y2185-N2204 PolarHBondContact OH-OD1 2.96Å; F2187-N2204 WeakPolarHBondContact CE2-OD1 3.37Å; F2187-N2204 VanDerWaalsContact CZ-OD1 3.28Å; F2187-N2204 WeakPolarHBondContact CZ-OD1 3.27Å; K2200-N2204 WeakPolarHBondContact O-CB 3.21Å; K2200-N2204 PolarHBondContact O-N 2.93Å; N2204-M2206 PolarHBondContact O-N 3.02Å; N2204-L2207 PolarHBondContact O-N 3.28Å; N2204-Q2208 WeakPolarHBondContact O-CG 3.19Å; N2204-Q2208 PolarHBondContact O-N 3.38Å; N2204-R2214 VanDerWaalsContact O-CD 3.32Å; N2204-R2214 WeakPolarHBondContact O-CD 3.14Å; N2204-R2214 WeakPolarHBondContact O-CG 3.48Å; N2204-R2214 PolarHBondContact O-NE 3Å
2205G92.5Very high90.4Very high3 Ų335.3 Ų35.33%0.03119%0.185CC..Hα-helixtrans-45.1-616500000117.3K12 M2201 L2202 V2203 R2214 Y2215K12-G2205 WeakPolarHBondContact CE-O 3.12Å; K12-G2205 PolarHBondContact NZ-O 3.34Å; M2201-G2205 VanDerWaalsContact O-CA 3.23Å; M2201-G2205 WeakPolarHBondContact O-CA 3.29Å; M2201-G2205 PolarHBondContact O-N 2.88Å; L2202-G2205 CarbonylContact O-C 3.14Å; L2202-G2205 WeakPolarHBondContact O-CA 3.19Å; L2202-G2205 PolarHBondContact O-N 2.86Å; V2203-G2205 VanDerWaalsContact C-N 3.29Å; V2203-G2205 PolarHBondContact O-N 3.48Å; G2205-R2214 VanDerWaalsContact C-CG 3.43Å; G2205-R2214 VanDerWaalsContact O-CD 3.31Å; G2205-R2214 WeakPolarHBondContact O-CD 3.47Å; G2205-Y2215 VanDerWaalsContact CA-CD2 3.47Å
2206M96.2Very high90.7Very high0 Ų034.2 Ų34.20%018%0.179CC..Hα-helixtrans-140.4-2.1177.3-70.2-179.574.600114.1M2071 M2075 V2149 A2152 L2156 L2202 V2203 N2204 R2214 V2220M2071-M2206 HydrophobicContact CE-CE 4.39Å; M2071-M2206 HydrophobicContact CG-CE 4.2Å; M2071-M2206 HydrophobicContact CG-SD 4.31Å; M2071-M2206 HydrophobicContact SD-CE 3.39Å; M2071-M2206 WeakPolarHBondContact SD-CE 3.34Å; M2071-M2206 HydrophobicContact SD-SD 4.24Å; M2075-M2206 HydrophobicContact CE-CE 4.14Å; M2075-M2206 HydrophobicContact SD-CE 4.35Å; V2149-M2206 HydrophobicContact CG1-CE 3.56Å; V2149-M2206 HydrophobicContact CG1-CG 4.4Å; A2152-M2206 VanDerWaalsContact C-CE 3.45Å; A2152-M2206 HydrophobicContact CB-CE 3.66Å; L2156-M2206 HydrophobicContact CD2-SD 3.52Å; L2156-M2206 VanDerWaalsContact CD2-SD 3.52Å; L2202-M2206 HydrophobicContact CD1-CG 4.09Å; L2202-M2206 HydrophobicContact CD1-SD 4.12Å; L2202-M2206 HydrophobicContact CD2-SD 4.18Å; L2202-M2206 HydrophobicContact CG-CG 4.21Å; L2202-M2206 HydrophobicContact CG-SD 3.84Å; L2202-M2206 VanDerWaalsContact O-CB 3.26Å; L2202-M2206 WeakPolarHBondContact O-CB 3.39Å; L2202-M2206 WeakPolarHBondContact O-CG 3.3Å; L2202-M2206 PolarHBondContact O-N 3.07Å; V2203-M2206 CarbonylContact O-C 3.53Å; V2203-M2206 VanDerWaalsContact O-C 3.3Å; V2203-M2206 WeakPolarHBondContact O-CA 3.44Å; V2203-M2206 PolarHBondContact O-N 2.69Å; N2204-M2206 PolarHBondContact O-N 3.02Å; M2206-R2214 VanDerWaalsContact C-NE 3.25Å; M2206-R2214 VanDerWaalsContact N-CD 3.32Å; M2206-R2214 VanDerWaalsContact O-CZ 3.29Å; M2206-R2214 PolarHBondContact O-NH1 2.69Å; M2206-V2220 HydrophobicContact CE-CG2 4.47Å; M2206-V2220 HydrophobicContact CG-CG2 3.72Å; M2206-V2220 HydrophobicContact SD-CG1 4.21Å; M2206-V2220 HydrophobicContact SD-CG2 3.79Å
2207L95.5Very high91Very high0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-146.26.9-177.3-73.7-176.8000116.5W2150 G2153 V2154 Y2157 P2165 F2166 Y2185 V2203 N2204 R2214W2150-L2207 HydrophobicContact CD2-CD2 3.68Å; W2150-L2207 HydrophobicContact CE3-CD2 3.72Å; W2150-L2207 HydrophobicContact CG-CD2 4.25Å; W2150-L2207 HydrophobicContact CH2-CD2 4.42Å; W2150-L2207 HydrophobicContact CZ2-CD2 4.33Å; W2150-L2207 HydrophobicContact CZ3-CD2 4.1Å; W2150-L2207 WeakPolarHBondContact CZ3-O 3.44Å; G2153-L2207 WeakPolarHBondContact O-CD1 3.34Å; V2154-L2207 HydrophobicContact CG2-CD2 3.7Å; Y2157-L2207 HydrophobicContact CD2-CD1 4.07Å; Y2157-L2207 HydrophobicContact CG-CD1 4.21Å; P2165-L2207 HydrophobicContact CB-CD1 3.88Å; P2165-L2207 HydrophobicContact CG-CD1 3.61Å; F2166-L2207 HydrophobicContact CE2-CD2 4.3Å; Y2185-L2207 HydrophobicContact CE1-CB 3.84Å; Y2185-L2207 WeakPolarHBondContact CE1-O 3.35Å; Y2185-L2207 HydrophobicContact CE2-CB 4.39Å; Y2185-L2207 HydrophobicContact CE2-CD1 4.44Å; Y2185-L2207 WeakPolarHBondContact OH-CB 3.32Å; V2203-L2207 HydrophobicContact CG1-CB 4.49Å; V2203-L2207 HydrophobicContact CG1-CD1 3.84Å; V2203-L2207 HydrophobicContact CG1-CG 4.39Å; V2203-L2207 WeakPolarHBondContact O-CA 3.27Å; V2203-L2207 VanDerWaalsContact O-CB 3.25Å; V2203-L2207 WeakPolarHBondContact O-CB 3.44Å; V2203-L2207 PolarHBondContact O-N 2.85Å; N2204-L2207 PolarHBondContact O-N 3.28Å; L2207-R2214 VanDerWaalsContact N-CZ 3.31Å
2208Q91.3Very high91.4Very high86 Ų8631 Ų3140%0.40216%0.162SC..SBendtrans-45.5154.2165.3-72.3-81.325.300110.3W2150 N2204 N2210 R2214W2150-Q2208 WeakPolarHBondContact CZ3-O 3.26Å; N2204-Q2208 WeakPolarHBondContact O-CG 3.19Å; N2204-Q2208 PolarHBondContact O-N 3.38Å; Q2208-N2210 HydrophobicContact CB-CB 3.36Å; Q2208-N2210 VanDerWaalsContact CB-OD1 3.27Å; Q2208-N2210 WeakPolarHBondContact CB-OD1 3.39Å; Q2208-N2210 WeakPolarHBondContact O-CB 3.28Å; Q2208-N2210 PolarHBondContact O-N 3.45Å; Q2208-R2214 HydrophobicContact CB-CB 3.99Å; Q2208-R2214 HydrophobicContact CB-CG 3.68Å; Q2208-R2214 HydrophobicContact CG-CB 3.84Å; Q2208-R2214 HydrophobicContact CG-CG 3.53Å; Q2208-R2214 PolarHBondContact O-NH2 3.41Å
2209L86.7Confident91.5Very high41 Ų4132.2 Ų32.222%0.21516%0.162CC..SBendtrans-72.176171.2-171.556.5000109.7L14 H17 P2135 L2181 S2182L14-L2209 WeakPolarHBondContact CG-O 3.27Å; L14-L2209 VanDerWaalsContact O-O 3.08Å; H17-L2209 HydrophobicContact CB-CD1 3.58Å; H17-L2209 HydrophobicContact CB-CD2 3.81Å; H17-L2209 HydrophobicContact CB-CG 3.62Å; P2135-L2209 HydrophobicContact CB-CD1 3.95Å; P2135-L2209 HydrophobicContact CG-CD1 3.84Å; L2181-L2209 WeakPolarHBondContact O-CD1 3.12Å; S2182-L2209 WeakPolarHBondContact O-CD2 3.11Å
2210N82.9Confident91.7Very high26 Ų2632.2 Ų32.214%0.13916%0.162CC..  trans-156.5143-151.9-92.4-146.4000112.6K12 D13 L14 Q2208 R2214K12-N2210 CarbonylContact C-O 3.49Å; K12-N2210 CarbonylContact O-C 3.54Å; K12-N2210 WeakPolarHBondContact O-CB 3.32Å; D13-N2210 VanDerWaalsContact C-OD1 3.24Å; D13-N2210 PolarHBondContact N-O 2.9Å; D13-N2210 PolarHBondContact O-OD1 2.96Å; L14-N2210 HydrophobicContact CB-CB 4.41Å; L14-N2210 VanDerWaalsContact CD2-O 3.26Å; L14-N2210 WeakPolarHBondContact CD2-O 3.27Å; L14-N2210 HydrophobicContact CG-CB 4.44Å; L14-N2210 VanDerWaalsContact N-CG 3.26Å; L14-N2210 PolarHBondContact O-ND2 2.96Å; Q2208-N2210 HydrophobicContact CB-CB 3.36Å; Q2208-N2210 VanDerWaalsContact CB-OD1 3.27Å; Q2208-N2210 WeakPolarHBondContact CB-OD1 3.39Å; Q2208-N2210 WeakPolarHBondContact O-CB 3.28Å; Q2208-N2210 PolarHBondContact O-N 3.45Å; N2210-R2214 HydrophobicContact CB-CB 4.11Å; N2210-R2214 PolarHBondContact O-NH2 2.93Å; N2210-R2214 WeakPolarHBondContact OD1-CB 3.03Å
2211A86.3Confident91.8Very high0 Ų032.5 Ų32.50%017%0.165CC..SBendcis86.7-110.14.500000125.2N10 K11 K12 D13 L14 F24N10-A2211 CarbonylContact C-O 3.58Å; K11-A2211 VanDerWaalsContact C-CB 3.49Å; K11-A2211 CarbonylContact C-O 3.44Å; K11-A2211 WeakPolarHBondContact CA-O 3.32Å; K11-A2211 HydrophobicContact CB-CB 3.85Å; K11-A2211 HydrophobicContact CG-CB 3.42Å; K11-A2211 VanDerWaalsContact CG-CB 3.42Å; K11-A2211 PolarHBondContact N-O 2.95Å; K12-A2211 CarbonylContact C-O 3.59Å; K12-A2211 PolarHBondContact N-O 2.94Å; D13-A2211 VanDerWaalsContact C-CA 3.49Å; D13-A2211 WeakPolarHBondContact CA-O 3.34Å; D13-A2211 WeakPolarHBondContact CB-O 3.37Å; D13-A2211 PolarHBondContact N-O 2.8Å; L14-A2211 HydrophobicContact CB-CB 4.04Å; L14-A2211 HydrophobicContact CD2-CB 4.08Å; F24-A2211 HydrophobicContact CB-CB 3.64Å; F24-A2211 HydrophobicContact CD1-CB 2.93Å; F24-A2211 HydrophobicContact CD2-CB 4.27Å; F24-A2211 HydrophobicContact CE1-CB 3.38Å; F24-A2211 HydrophobicContact CG-CB 3.37Å; F24-A2211 HydrophobicContact CZ-CB 4.2Å
2212D85Confident91.7Very high9 Ų930.7 Ų30.75%0.04816%0.162CC..BIsolated β-bridgetrans-130.331172.7-32.1-60.5000127.6Y9 N10 K11 D13 F24 K25 G26Y9-D2212 WeakPolarHBondContact CB-OD2 3.44Å; Y9-D2212 VanDerWaalsContact CD2-OD1 3.26Å; Y9-D2212 WeakPolarHBondContact CD2-OD1 3.45Å; N10-D2212 WeakPolarHBondContact CA-OD1 3.27Å; N10-D2212 HydrophobicContact CB-CB 3.9Å; N10-D2212 PolarHBondContact N-OD1 3.35Å; K11-D2212 PolarHBondContact N-OD1 2.99Å; D13-D2212 VanDerWaalsContact C-CA 3.41Å; D13-D2212 VanDerWaalsContact CA-CA 3.41Å; D13-D2212 HydrophobicContact CB-CB 4.48Å; D13-D2212 VanDerWaalsContact CG-O 3.3Å; D13-D2212 CarbonylContact O-C 3.56Å; D13-D2212 PolarHBondContact O-N 2.74Å; D13-D2212 VanDerWaalsContact O-N 3.11Å; D13-D2212 VanDerWaalsContact OD1-C 3.24Å; D13-D2212 WeakPolarHBondContact OD2-CA 3.23Å; F24-D2212 VanDerWaalsContact C-OD2 3.31Å; F24-D2212 WeakPolarHBondContact CB-OD2 3.45Å; K25-D2212 VanDerWaalsContact C-CB 3.41Å; K25-D2212 VanDerWaalsContact CA-OD2 3.24Å; K25-D2212 WeakPolarHBondContact CA-OD2 3.48Å; K25-D2212 HydrophobicContact CB-CB 3.73Å; K25-D2212 HydrophobicContact CD-CB 4.23Å; K25-D2212 WeakPolarHBondContact CD-O 3.25Å; K25-D2212 VanDerWaalsContact N-CG 3.29Å; K25-D2212 PolarHBondContact N-OD2 3.42Å; K25-D2212 VanDerWaalsContact O-CB 3.26Å; K25-D2212 WeakPolarHBondContact O-CB 3.08Å; G26-D2212 VanDerWaalsContact CA-OD2 3.26Å; G26-D2212 WeakPolarHBondContact CA-OD2 3.38Å; G26-D2212 PolarHBondContact N-OD2 2.58Å
2213D86.2Confident91.5Very high82 Ų8231.2 Ų31.244%0.43917%0.165SC..SBendtrans-126.1-3.3165.4-89.9-52.6000121.1D13 K25 Y90D13-D2213 VanDerWaalsContact CG-CA 3.41Å; D13-D2213 WeakPolarHBondContact O-CA 3.29Å; D13-D2213 PolarHBondContact O-N 2.73Å; D13-D2213 WeakPolarHBondContact OD1-CA 3.27Å; D13-D2213 PolarHBondContact OD1-N 3.33Å; K25-D2213 WeakPolarHBondContact CD-OD2 3.4Å; K25-D2213 IonicContact NZ-OD1 3.18Å; K25-D2213 PolarHBondContact NZ-OD1 3.28Å; K25-D2213 IonicContact NZ-OD2 3.31Å; K25-D2213 PolarHBondContact NZ-OD2 2.7Å; Y90-D2213 PolarHBondContact OH-OD2 2.98Å
2214R96Very high91.1Very high6 Ų634.7 Ų34.72%0.02319%0.187CC..SBendtrans-90.444.8169175.2-108.2-97.5157.134.7116.2K12 D13 W2150 N2204 G2205 M2206 L2207 Q2208 N2210K12-R2214 VanDerWaalsContact O-CB 3.27Å; K12-R2214 WeakPolarHBondContact O-CB 3.11Å; K12-R2214 WeakPolarHBondContact O-CD 3.07Å; K12-R2214 WeakPolarHBondContact O-CG 3.42Å; K12-R2214 PolarHBondContact O-NE 3.32Å; K12-R2214 PolarHBondContact O-NH1 3.09Å; K12-R2214 PolarHBondContact O-NH2 3.28Å; D13-R2214 HydrophobicContact CB-CB 3.92Å; D13-R2214 WeakPolarHBondContact OD1-CA 3.13Å; D13-R2214 PolarHBondContact OD1-N 2.68Å; W2150-R2214 VanDerWaalsContact CE3-NH2 3.35Å; N2204-R2214 VanDerWaalsContact O-CD 3.32Å; N2204-R2214 WeakPolarHBondContact O-CD 3.14Å; N2204-R2214 WeakPolarHBondContact O-CG 3.48Å; N2204-R2214 PolarHBondContact O-NE 3Å; G2205-R2214 VanDerWaalsContact C-CG 3.43Å; G2205-R2214 VanDerWaalsContact O-CD 3.31Å; G2205-R2214 WeakPolarHBondContact O-CD 3.47Å; M2206-R2214 VanDerWaalsContact C-NE 3.25Å; M2206-R2214 VanDerWaalsContact N-CD 3.32Å; M2206-R2214 VanDerWaalsContact O-CZ 3.29Å; M2206-R2214 PolarHBondContact O-NH1 2.69Å; L2207-R2214 VanDerWaalsContact N-CZ 3.31Å; Q2208-R2214 HydrophobicContact CB-CB 3.99Å; Q2208-R2214 HydrophobicContact CB-CG 3.68Å; Q2208-R2214 HydrophobicContact CG-CB 3.84Å; Q2208-R2214 HydrophobicContact CG-CG 3.53Å; Q2208-R2214 PolarHBondContact O-NH2 3.41Å; N2210-R2214 HydrophobicContact CB-CB 4.11Å; N2210-R2214 PolarHBondContact O-NH2 2.93Å; N2210-R2214 WeakPolarHBondContact OD1-CB 3.03Å
2215Y94.9Very high91Very high79 Ų7932.8 Ų32.831%0.3118%0.176SC..  trans65.3178174.6-37.3-32.6000114.3K12 D13 K2146 G2205 E2219 H2223K12-Y2215 WeakPolarHBondContact CB-O 3.45Å; K12-Y2215 WeakPolarHBondContact CD-O 3.28Å; D13-Y2215 PolarHBondContact OD1-N 3.34Å; K2146-Y2215 PolarHBondContact NZ-O 3.31Å; G2205-Y2215 VanDerWaalsContact CA-CD2 3.47Å; Y2215-E2219 WeakPolarHBondContact CA-OE2 3.33Å; Y2215-H2223 AromaticContact CD2-CD2 3.95Å; Y2215-H2223 AromaticContact CE2-CD2 3.55Å; Y2215-H2223 AromaticContact CE2-NE2 3.84Å
2216S95Very high90.8Very high1 Ų132.7 Ų32.71%0.00718%0.175CC..  trans-123.5-170.5-177.3770000116.7N10 K12 K2146 T2218 E2219 V2220N10-S2216 WeakPolarHBondContact OD1-CB 3.43Å; K12-S2216 VanDerWaalsContact CE-O 3.3Å; K12-S2216 WeakPolarHBondContact CE-O 3.27Å; K12-S2216 PolarHBondContact NZ-O 3.33Å; K2146-S2216 VanDerWaalsContact CE-CA 3.44Å; S2216-T2218 PolarHBondContact OG-N 3.14Å; S2216-T2218 PolarHBondContact OG-OG1 2.87Å; S2216-E2219 WeakPolarHBondContact CB-OE1 3.43Å; S2216-E2219 VanDerWaalsContact CB-OE2 3.29Å; S2216-E2219 WeakPolarHBondContact CB-OE2 3.41Å; S2216-E2219 PolarHBondContact N-OE2 3.1Å; S2216-E2219 PolarHBondContact OG-N 3.17Å; S2216-E2219 PolarHBondContact OG-OE1 3.33Å; S2216-E2219 PolarHBondContact OG-OE2 3.42Å; S2216-V2220 WeakPolarHBondContact O-CG2 3.34Å; S2216-V2220 PolarHBondContact O-N 3.39Å
2217S94.9Very high89.8Confident6 Ų637.7 Ų37.74%0.04220%0.198CC..SBendtrans-67.6-44.9164.132.60000109.4H2082 V2220 L2221H2082-S2217 PolarHBondContact ND1-OG 3.12Å; H2082-S2217 VanDerWaalsContact ND1-OG 3.09Å; S2217-V2220 PolarHBondContact O-N 3.23Å; S2217-L2221 WeakPolarHBondContact O-CG 3.27Å; S2217-L2221 PolarHBondContact O-N 3.23Å
2218T93.7Very high88.3Confident81 Ų8142.3 Ų42.350%0.49723%0.226SC..Hα-helixtrans-66.7-37.5170.839.10000113.6A2079 S2216 L2221 S2222A2079-T2218 HydrophobicContact CB-CG2 4.09Å; S2216-T2218 PolarHBondContact OG-N 3.14Å; S2216-T2218 PolarHBondContact OG-OG1 2.87Å; T2218-L2221 WeakPolarHBondContact O-CB 3.35Å; T2218-L2221 PolarHBondContact O-N 2.64Å; T2218-S2222 PolarHBondContact O-N 2.97Å
2219E91.7Very high86.5Confident63 Ų6339.5 Ų39.529%0.29422%0.22SC..Hα-helixtrans-870.2176.7-49.4113.3-128.800113.8Y2215 S2216 S2222 H2223Y2215-E2219 WeakPolarHBondContact CA-OE2 3.33Å; S2216-E2219 WeakPolarHBondContact CB-OE1 3.43Å; S2216-E2219 VanDerWaalsContact CB-OE2 3.29Å; S2216-E2219 WeakPolarHBondContact CB-OE2 3.41Å; S2216-E2219 PolarHBondContact N-OE2 3.1Å; S2216-E2219 PolarHBondContact OG-N 3.17Å; S2216-E2219 PolarHBondContact OG-OE1 3.33Å; S2216-E2219 PolarHBondContact OG-OE2 3.42Å; E2219-S2222 WeakPolarHBondContact CA-OG 3.39Å; E2219-H2223 WeakPolarHBondContact O-CB 3.4Å; E2219-H2223 PolarHBondContact O-N 3.09Å
2220V94.8Very high84.3Confident0 Ų042.9 Ų42.90%024%0.235CC..Hα-helixtrans-78.8-44155169.90000109.3M2071 M2075 L2202 M2206 S2216 S2217 S2222 H2223 I2226M2071-V2220 HydrophobicContact CG-CG1 4.25Å; M2075-V2220 HydrophobicContact CB-CG1 4.4Å; M2075-V2220 HydrophobicContact CG-CB 3.8Å; M2075-V2220 HydrophobicContact CG-CG1 3.5Å; M2075-V2220 VanDerWaalsContact CG-CG1 3.5Å; M2075-V2220 HydrophobicContact SD-CB 4.05Å; M2075-V2220 HydrophobicContact SD-CG1 4.24Å; M2075-V2220 HydrophobicContact SD-CG2 4.22Å; L2202-V2220 HydrophobicContact CD1-CB 4.27Å; L2202-V2220 HydrophobicContact CD1-CG1 4.06Å; L2202-V2220 HydrophobicContact CD1-CG2 3.69Å; L2202-V2220 HydrophobicContact CD2-CG1 4.08Å; M2206-V2220 HydrophobicContact CE-CG2 4.47Å; M2206-V2220 HydrophobicContact CG-CG2 3.72Å; M2206-V2220 HydrophobicContact SD-CG1 4.21Å; M2206-V2220 HydrophobicContact SD-CG2 3.79Å; S2216-V2220 WeakPolarHBondContact O-CG2 3.34Å; S2216-V2220 PolarHBondContact O-N 3.39Å; S2217-V2220 PolarHBondContact O-N 3.23Å; V2220-S2222 PolarHBondContact O-N 3.06Å; V2220-H2223 WeakPolarHBondContact O-CB 3.46Å; V2220-H2223 PolarHBondContact O-N 2.97Å; V2220-I2226 HydrophobicContact CG1-CD1 4.18Å; V2220-I2226 HydrophobicContact CG1-CG1 3.65Å; V2220-I2226 VanDerWaalsContact O-CB 3.28Å; V2220-I2226 WeakPolarHBondContact O-CB 3.21Å; V2220-I2226 WeakPolarHBondContact O-CG1 3.19Å
2221L92.4Very high81.7Confident43 Ų4345.4 Ų45.423%0.22525%0.253CS..Hα-helixtrans-57.3-34.3175.6-64.8169.5000111.8Q2072 M2075 A2079 S2217 T2218Q2072-L2221 HydrophobicContact CB-CD2 4.32Å; Q2072-L2221 HydrophobicContact CG-CD2 3.42Å; Q2072-L2221 VanDerWaalsContact CG-CD2 3.42Å; M2075-L2221 HydrophobicContact CB-CD1 4.46Å; M2075-L2221 HydrophobicContact CB-CD2 3.71Å; M2075-L2221 HydrophobicContact CB-CG 3.83Å; A2079-L2221 HydrophobicContact CB-CD1 3.98Å; S2217-L2221 WeakPolarHBondContact O-CG 3.27Å; S2217-L2221 PolarHBondContact O-N 3.23Å; T2218-L2221 WeakPolarHBondContact O-CB 3.35Å; T2218-L2221 PolarHBondContact O-N 2.64Å
2222S89.2Confident78.8Confident62 Ų6250.8 Ų50.843%0.43429%0.29SS..THydrogen-bonded Turntrans-98.719.517281.60000114.8T2218 E2219 V2220 E2227T2218-S2222 PolarHBondContact O-N 2.97Å; E2219-S2222 WeakPolarHBondContact CA-OG 3.39Å; V2220-S2222 PolarHBondContact O-N 3.06Å; S2222-E2227 WeakPolarHBondContact CA-OE1 3.44Å
2223H89.9Confident75.9Confident12 Ų1255.5 Ų55.56%0.05632%0.321CS..SBendtrans-83.2137.9171.6-175.1-97.9000109.1A2198 L2202 Y2215 E2219 V2220 W2225 I2226 E2227A2198-H2223 PolarHBondContact O-CE1 3.04Å; A2198-H2223 VanDerWaalsContact O-CE1 3.28Å; L2202-H2223 HydrophobicContact CD1-CB 3.73Å; Y2215-H2223 AromaticContact CD2-CD2 3.95Å; Y2215-H2223 AromaticContact CE2-CD2 3.55Å; Y2215-H2223 AromaticContact CE2-NE2 3.84Å; E2219-H2223 WeakPolarHBondContact O-CB 3.4Å; E2219-H2223 PolarHBondContact O-N 3.09Å; V2220-H2223 WeakPolarHBondContact O-CB 3.46Å; V2220-H2223 PolarHBondContact O-N 2.97Å; H2223-W2225 WeakPolarHBondContact ND1-CB 3.27Å; H2223-W2225 PolarHBondContact ND1-N 3.1Å; H2223-W2225 VanDerWaalsContact ND1-N 3.19Å; H2223-W2225 PolarHBondContact O-N 3.4Å; H2223-I2226 PolarHBondContact O-N 2.91Å; H2223-E2227 PolarHBondContact O-N 3.5Å
2224P86Confident73.1Confident73 Ų7358.9 Ų58.947%0.47434%0.338SS..Hα-helixtrans-52.8-28.2-177.3-31.937000115.2V2228P2224-V2228 WeakPolarHBondContact O-CB 3.41Å; P2224-V2228 WeakPolarHBondContact O-CG2 3.37Å; P2224-V2228 PolarHBondContact O-N 3.28Å
2225W90.1Very high69.8Low16 Ų1666.7 Ų66.76%0.06137%0.374CS..Hα-helixtrans-69.1-29.8174.8-16974.3000114.5E2064 A2067 A2068 L2156 L2160 A2198 A2199 L2202 H2223 G2229E2064-W2225 HydrophobicContact CB-CZ2 3.77Å; E2064-W2225 HydrophobicContact CG-CZ2 4.01Å; E2064-W2225 WeakPolarHBondContact O-CH2 3.38Å; E2064-W2225 VanDerWaalsContact O-CZ2 3.28Å; E2064-W2225 WeakPolarHBondContact O-CZ2 3.19Å; E2064-W2225 PolarHBondContact OE2-NE1 2.92Å; A2067-W2225 HydrophobicContact CB-CH2 3.83Å; A2067-W2225 HydrophobicContact CB-CZ2 4.48Å; A2068-W2225 VanDerWaalsContact CA-CZ3 3.4Å; A2068-W2225 HydrophobicContact CB-CD2 4.26Å; A2068-W2225 HydrophobicContact CB-CE3 3.81Å; A2068-W2225 HydrophobicContact CB-CH2 3.82Å; A2068-W2225 HydrophobicContact CB-CZ2 4.19Å; A2068-W2225 HydrophobicContact CB-CZ3 3.62Å; L2156-W2225 HydrophobicContact CD1-CH2 3.6Å; L2156-W2225 HydrophobicContact CD1-CZ3 3.75Å; L2156-W2225 HydrophobicContact CD2-CZ3 4.25Å; L2160-W2225 HydrophobicContact CD2-CH2 4.23Å; L2160-W2225 HydrophobicContact CD2-CZ2 3.94Å; A2198-W2225 HydrophobicContact CB-CB 3.98Å; A2198-W2225 HydrophobicContact CB-CG 4.32Å; A2199-W2225 HydrophobicContact CB-CD2 4.36Å; A2199-W2225 HydrophobicContact CB-CG 4.43Å; A2199-W2225 HydrophobicContact CB-CZ2 4.1Å; L2202-W2225 HydrophobicContact CB-CB 4.4Å; L2202-W2225 HydrophobicContact CD2-CB 4.28Å; L2202-W2225 HydrophobicContact CD2-CD2 4.13Å; L2202-W2225 HydrophobicContact CD2-CE3 3.29Å; L2202-W2225 HydrophobicContact CD2-CZ3 3.89Å; H2223-W2225 WeakPolarHBondContact ND1-CB 3.27Å; H2223-W2225 PolarHBondContact ND1-N 3.1Å; H2223-W2225 VanDerWaalsContact ND1-N 3.19Å; H2223-W2225 PolarHBondContact O-N 3.4Å; W2225-G2229 PolarHBondContact O-N 3.38Å
2226I87.9Confident66.6Low1 Ų172.4 Ų72.41%0.00540%0.401CS..Hα-helixtrans-85.2-42.3173.6-60.4-64.1000110.2A2068 M2071 Q2072 L2202 V2220 H2223 G2229 H2230A2068-I2226 HydrophobicContact CB-CD1 4.04Å; A2068-I2226 WeakPolarHBondContact O-CD1 3.18Å; M2071-I2226 HydrophobicContact CB-CD1 4.04Å; M2071-I2226 HydrophobicContact CG-CD1 4.21Å; Q2072-I2226 HydrophobicContact CB-CG2 3.98Å; Q2072-I2226 HydrophobicContact CG-CG2 3.87Å; L2202-I2226 HydrophobicContact CD2-CD1 4.06Å; L2202-I2226 HydrophobicContact CD2-CG1 3.92Å; V2220-I2226 HydrophobicContact CG1-CD1 4.18Å; V2220-I2226 HydrophobicContact CG1-CG1 3.65Å; V2220-I2226 VanDerWaalsContact O-CB 3.28Å; V2220-I2226 WeakPolarHBondContact O-CB 3.21Å; V2220-I2226 WeakPolarHBondContact O-CG1 3.19Å; H2223-I2226 PolarHBondContact O-N 2.91Å; I2226-G2229 WeakPolarHBondContact O-CA 3.47Å; I2226-G2229 PolarHBondContact O-N 3.29Å; I2226-H2230 PolarHBondContact O-CD2 3.07Å; I2226-H2230 VanDerWaalsContact O-CD2 3.22Å; I2226-H2230 PolarHBondContact O-N 3.34Å
2227E75.3Confident63.4Low105 Ų10577.5 Ų77.549%0.49143%0.432SS..Hα-helixtrans-62.7-45.9177.2-64.5-172.7156.800111.9S2222 H2223 G2229 H2230S2222-E2227 WeakPolarHBondContact CA-OE1 3.44Å; H2223-E2227 PolarHBondContact O-N 3.5Å; E2227-G2229 PolarHBondContact O-N 2.91Å; E2227-H2230 WeakPolarHBondContact O-CB 3.28Å; E2227-H2230 PolarHBondContact O-N 3.39Å
2228V63.9Low60.2Low96 Ų9685.4 Ų85.458%0.58247%0.47SS*.G310 helixtrans-71-16.2171.2-1790000111.6P2224 H2230 C2231P2224-V2228 WeakPolarHBondContact O-CB 3.41Å; P2224-V2228 WeakPolarHBondContact O-CG2 3.37Å; P2224-V2228 PolarHBondContact O-N 3.28Å; V2228-H2230 PolarHBondContact O-N 2.6Å; V2228-C2231 CarbonylContact O-C 3.49Å; V2228-C2231 WeakPolarHBondContact O-CA 3.35Å; V2228-C2231 PolarHBondContact O-N 2.73Å
2229G53.2Low57Low27 Ų2791.6 Ų91.628%0.27849%0.486SS..G310 helixtrans-59.9-18.7164.600000113.8W2225 I2226 E2227W2225-G2229 PolarHBondContact O-N 3.38Å; I2226-G2229 WeakPolarHBondContact O-CA 3.47Å; I2226-G2229 PolarHBondContact O-N 3.29Å; E2227-G2229 PolarHBondContact O-N 2.91Å
2230H41.4Very low53.9Low113 Ų11393.1 Ų93.152%0.52350%0.504SS..G310 helixtrans-91.6-3.2169.5-64.1-72.4000114Q2072 I2226 E2227 V2228Q2072-H2230 PolarHBondContact NE2-NE2 2.99Å; Q2072-H2230 VanDerWaalsContact NE2-NE2 3.18Å; Q2072-H2230 PolarHBondContact OE1-NE2 3.2Å; I2226-H2230 PolarHBondContact O-CD2 3.07Å; I2226-H2230 VanDerWaalsContact O-CD2 3.22Å; I2226-H2230 PolarHBondContact O-N 3.34Å; E2227-H2230 WeakPolarHBondContact O-CB 3.28Å; E2227-H2230 PolarHBondContact O-N 3.39Å; V2228-H2230 PolarHBondContact O-N 2.6Å
2231C28Very low50.6Low78 Ų7899.2 Ų99.253%0.52754%0.536SS..  trans-124.783.6-174.7-69.40000112V2228V2228-C2231 CarbonylContact O-C 3.49Å; V2228-C2231 WeakPolarHBondContact O-CA 3.35Å; V2228-C2231 PolarHBondContact O-N 2.73Å
2232C24.6Very low47.5Very low114 Ų114106.7 Ų106.777%0.7757%0.567SS**  trans-56139.7133.8-75.10000107.7
2233P25.5Very low44.5Very low108 Ų108111.7 Ų111.770%0.70158%0.582SS**  cis-123155.648.739.2-27.6000114.1
2234L26.3Very low41.5Very low152 Ų152120.1 Ų120.180%0.79662%0.621SS**  57.162.557.2-92.1173.6000114.9
2235H27.8Very low38.8Very low170 Ų170119.9 Ų119.979%0.78763%0.631SS**SBendtrans73.4159.6150.1-147-101.2000117.9V2237H2235-V2237 VanDerWaalsContact C-N 3.34Å; H2235-V2237 PolarHBondContact O-N 3.04Å
2236F25.8Very low35.8Very low199 Ų199125.9 Ų125.987%0.87367%0.674SS**SBendtrans-84.962-168.2-162.6-95.4000113.2
2237V29.4Very low33.1Very low109 Ų109129.1 Ų129.166%0.66171%0.708SS**  trans-150.1130.3170.6-1770000107.1H2235H2235-V2237 VanDerWaalsContact C-N 3.34Å; H2235-V2237 PolarHBondContact O-N 3.04Å
2238M27.3Very low31Very low171 Ų171131.2 Ų131.284%0.84272%0.722SS**  cis-139.4162.618.4-152.8174.8-68.800112.7
2239Y26Very low29.5Very low212 Ų212132.5 Ų132.583%0.83173%0.73SS**  trans-58.3138.9167.5-79.2-127.1000112.5
2240S25.9Very low28.4Very low94 Ų94138.3 Ų138.366%0.65776%0.755SS**  155.9152.4102.761.80000115.4
2241N26.3Very low27.8Very low128 Ų128138.1 Ų138.168%0.68476%0.763SS**  trans62.389.4152-55.2-26.2000120.8
2242F27.3Very low28Very low201 Ų201143.8 Ų143.888%0.88278%0.782SS**  -175.587.9108.5-117.2-93.5000109
2243F27Very low28.2Very low167 Ų167148.2 Ų148.273%0.73279%0.789SS**  56.712789.7-101.2-77.7000117
2244Q26.4Very low28.3Very low189 Ų189152 Ų15288%0.88380%0.797SS**  trans75119.2166.9-54.8178.1-600117
2245G28.7Very low28.6Very low67 Ų67153.5 Ų153.569%0.69180%0.8SS**  cis173.4162.3-800000115
2246C28.8Very low28.8Very low143 Ų143149 Ų14997%0.96678%0.784SS**  trans64.2133.4175.1-53.60000115.4
2247G30.3Very low28.9Very low68 Ų68145.8 Ų145.870%0.70179%0.786SS**  cis141.4143.38.800000107.6
2248N31.8Very low29.2Very low149 Ų149146.2 Ų146.280%0.79779%0.789SS**  cis-161151.116.5-100.7-4000110.4
2249V31Very low29.4Very low123 Ų123142.5 Ų142.575%0.74577%0.772SS**  trans68.3142.7145.6175.80000115.9
2250D30.7Very low29.5Very low150 Ų150136.5 Ų136.580%0.80277%0.767SS**  cis-136.7160.328.5-132.9-9000112.7
2251P29.8Very low29.9Very low108 Ų108139.5 Ų139.570%0.70177%0.774SS**  trans-117.6147.6-172.239.8-28.2000116
2252E31.3Very low30.5Very low197 Ų197142.3 Ų142.392%0.92178%0.783SS**  trans-160.979.4149.2-130.3175.4-150.900111.2
2253F28.8Very low30.4Very low208 Ų208138.8 Ų138.891%0.91278%0.783SS**  trans-150.157.5-177.3-149.3-84000113.7
2254E28.1Very low30.5Very low187 Ų187136.4 Ų136.487%0.87478%0.781SS**  trans-152.592.4165.9-141.6170.4-166.800112.9
2255H31.8Very low30.4Very low184 Ų184135.7 Ų135.785%0.85278%0.778SS**  trans-151.4138.8162.4-119.565.6000112.4
2256V32.7Very low30.7Very low74 Ų74141.2 Ų141.245%0.44878%0.783SS.*  trans64.359169.9-156.40000116.3T2258 L2259V2256-T2258 PolarHBondContact O-N 3.42Å; V2256-L2259 HydrophobicContact CG1-CB 4.32Å; V2256-L2259 HydrophobicContact CG1-CD1 4.41Å
2257S28.2Very low30.3Very low132 Ų132140.3 Ų140.392%0.92377%0.773SS**SBendtrans-76.535.3139.3-63.50000110.9
2258T35.4Very low30.1Very low118 Ų118145.3 Ų145.372%0.72478%0.778SS**  trans-133.629-156.4-33.20000112.4V2256V2256-T2258 PolarHBondContact O-N 3.42Å
2259L32.2Very low29.9Very low93 Ų93146.4 Ų146.449%0.48778%0.778SS.*  trans-106.412.8176.7-126158.8000113.2V2256V2256-L2259 HydrophobicContact CG1-CB 4.32Å; V2256-L2259 HydrophobicContact CG1-CD1 4.41Å
2260A27.7Very low30.1Very low87 Ų87148.4 Ų148.472%0.71978%0.779SS**SBendtrans-89.5-21.3-172.700000115.9
2261L33.8Very low30.1Very low156 Ų156149 Ų14982%0.81778%0.783SS**SBendtrans-148.974.8-165.4-71.2175.5000114.6
2262Q38.1Very low30.2Very low187 Ų187155.3 Ų155.387%0.87479%0.793SS**SBendtrans-153.1-11.3160-124.2168.114.900118.5
2263C25.6Very low30.2Very low128 Ų128152 Ų15287%0.86578%0.777SS**  trans-138.5118.6163.3-62.40000108.7
2264V29.1Very low30.1Very low117 Ų117147.5 Ų147.571%0.70977%0.766SS**  cis70.7135.75.8-169.30000114.8
2265E25.2Very low30Very low174 Ų174144.8 Ų144.881%0.81375%0.753SS**  trans49.1130.4178.2-70-173.9176.500120.6
2266F34Very low29.8Very low183 Ų183142.9 Ų142.980%0.80375%0.75SS**  cis-158.684.2-28.1-158.3-79.7000109.5
2267V21.9Very low30.4Very low124 Ų124143.8 Ų143.875%0.75276%0.757SS**SBendtrans68.6140.9-166-179.50000112.3
2268Q25.8Very low30.4Very low173 Ų173143.9 Ų143.981%0.80875%0.752SS**  trans61.9158.7-168.9-63.5161-5.300113
2269H27.8Very low30Very low172 Ų172141.6 Ų141.680%0.79675%0.752SS**  cis-124.6160-15.1-150.1-85.7000109.5
2270E34.6Very low29.9Very low164 Ų164147.3 Ų147.377%0.76677%0.772SS**  trans-91.9128.2-152.2-58.3174.2122.600116.4
2271N30.2Very low30.6Very low164 Ų164151.3 Ų151.388%0.87777%0.774SS**  trans-170.2129.9138.8-93.8-41.3000107.5
2272R31.2Very low30.1Very low240 Ų240153.8 Ų153.891%0.90677%0.774SS**  trans-123.6135.2-167-70.5-170179.4-138.5-2.7114.9
2273H31.1Very low29.5Very low128 Ų128149.4 Ų149.459%0.59376%0.764SS**  trans-48.1145.9155.5-64.4-102.5000110.2
2274V28.3Very low29.7Very low112 Ų112155.6 Ų155.668%0.67977%0.769SS**  64.1140.651.3-175.60000111.2
2275E25.9Very low29.5Very low131 Ų131160.6 Ų160.661%0.61278%0.775SS**  trans62.692.6178-78.5142.1-131.200118.9
2276D27.6Very low29.6Very low144 Ų144164 Ų16477%0.7778%0.781SS**  72.3176.7114.1-121.726.3000120.4
2277P45.7Very low29.2Very low93 Ų93159 Ų15960%0.60477%0.768SS**  cis-114.1128.1-28.83.418.1000112.2G2279P2277-G2279 WeakPolarHBondContact O-CA 3.39Å; P2277-G2279 PolarHBondContact O-N 2.7Å
2278V28Very low29.4Very low134 Ų134157.2 Ų157.281%0.81275%0.753SS**SBendtrans55.3-9.9152.6-173.20000118.3F2281V2278-F2281 WeakPolarHBondContact O-CB 3.4Å
2279G25.5Very low29.4Very low70 Ų70152.7 Ų152.772%0.72273%0.734SS**THydrogen-bonded Turntrans-112.37.4-148.300000116.7P2277P2277-G2279 WeakPolarHBondContact O-CA 3.39Å; P2277-G2279 PolarHBondContact O-N 2.7Å
2280K30.1Very low29.5Very low212 Ų212152.2 Ų152.292%0.92273%0.732SS**THydrogen-bonded Turntrans-109.118.2162.7-75.5177.5179.2165.60112.1
2281F44Very low29.2Very low171 Ų171150.7 Ų150.775%0.7573%0.729SS**SBendtrans-98.27-169.6-135.4-107000114.3V2278V2278-F2281 WeakPolarHBondContact O-CB 3.4Å
2282Y22.3Very low29Very low209 Ų209147.9 Ų147.982%0.8272%0.722SS**SBendtrans-134.9156173.8-102.8-90.5000111.9
2283S26.4Very low28.7Very low95 Ų95141.7 Ų141.766%0.66471%0.714SS**  trans81.575.8165.478.50000120.8
2284R29.1Very low28.4Very low258 Ų258143.6 Ų143.697%0.97473%0.728SS**  trans-153.7115.5136.3-91.4-165.9179.2-172.40.1110.6
2285R25.6Very low28.1Very low221 Ų221144 Ų14483%0.83473%0.73SS**  cis-170.1158-33-122.7-173.9-179.8-162.6-0.3107.4
2286R25.8Very low27.9Very low247 Ų247143.5 Ų143.593%0.93274%0.736SS**  trans78.1139.3-172.5-48.7169.2-179.3-176-1.3112.7
2287S26.8Very low27.6Very low78 Ų78144.1 Ų144.155%0.54574%0.74SS.*  cis-89-169.2-9.4-132.40000110.6E1768E1768-S2287 WeakPolarHBondContact O-CB 3.06Å
2288M26.2Very low26.6Very low86 Ų86144.6 Ų144.642%0.42474%0.741SS.*  cis88.9103.2-6-63.7175.160.100116.1S1765 E1768S1765-M2288 VanDerWaalsContact CB-SD 3.58Å; E1768-M2288 PolarHBondContact N-O 3.38Å
2289D26Very low26.4Very low77 Ų77144.2 Ų144.241%0.41274%0.739SS.*  cis-136.1-164.625.4-62.2-55.5000119.3I1766 L1767 E1768I1766-D2289 CarbonylContact C-O 3.54Å; I1766-D2289 CarbonylContact O-C 3.53Å; I1766-D2289 VanDerWaalsContact O-CA 3.27Å; I1766-D2289 WeakPolarHBondContact O-CA 3.45Å; L1767-D2289 CarbonylContact C-O 3.56Å; L1767-D2289 VanDerWaalsContact CA-O 3.28Å; L1767-D2289 WeakPolarHBondContact CA-O 3.46Å; E1768-D2289 VanDerWaalsContact CB-N 3.34Å; E1768-D2289 HydrophobicContact CG-CB 4.5Å; E1768-D2289 WeakPolarHBondContact CG-O 3.31Å; E1768-D2289 PolarHBondContact N-O 3.27Å
2290E28.2Very low26.4Very low163 Ų163145.8 Ų145.876%0.76274%0.739SS**  trans64.180171.2-53-154.6-175.100122.9I1766I1766-E2290 PolarHBondContact O-N 2.82Å
2291L28.8Very low26.2Very low132 Ų132141.4 Ų141.469%0.69173%0.73SS**  trans-98.3131.3138.5-79.8167.2000109.8I1766I1766-L2291 HydrophobicContact CB-CD1 4.36Å; I1766-L2291 HydrophobicContact CG2-CD1 3.54Å; I1766-L2291 HydrophobicContact CG2-CG 3.95Å
2292S26.1Very low25.4Very low104 Ų104137.7 Ų137.773%0.72773%0.726SS**  trans-174.4164.6146.863.90000114.4
2293C24.5Very low25.4Very low110 Ų110136.7 Ų136.774%0.74373%0.726SS**  trans69.2123174.6-53.70000115.9
2294L25.4Very low25.6Very low168 Ų168144.6 Ų144.688%0.8875%0.748SS**  cis95.9141.529.5-66.4168.9000115.2
2295T21.7Very low25.4Very low120 Ų120138.9 Ų138.974%0.73674%0.737SS**SBendtrans-81.5150.5178.545.10000112.4
2296T22.3Very low25.4Very low121 Ų121134.6 Ų134.674%0.74273%0.732SS**  trans67.1141.117867.40000115V2298T2296-V2298 HydrophobicContact CG2-CG2 3.71Å
2297D22.2Very low25.4Very low157 Ų157128.3 Ų128.384%0.8472%0.721SS**  cis-63158.82-64.1-46.1000114.4
2298V23.2Very low25.3Very low103 Ų103131.3 Ų131.362%0.62473%0.731SS**  cis78.864.910.1-160.70000116.7T2296T2296-V2298 HydrophobicContact CG2-CG2 3.71Å
2299T23.5Very low25.3Very low126 Ų126134.1 Ų134.177%0.77375%0.751SS**  177.4139.7123.825.60000113.1
2300S26.4Very low25.2Very low103 Ų103137.9 Ų137.972%0.7277%0.773SS**  trans53.3130.1145.5-68.20000121.8
2301T25.3Very low25Very low120 Ų120136.1 Ų136.174%0.73677%0.774SS**  cis-171.4152.3-14.7-30000109.3
2302S27.3Very low24.7Very low94 Ų94136.5 Ų136.566%0.65778%0.78SS**  trans54.9112.8148.663.40000121.4
2303F23.3Very low24.6Very low188 Ų188139.2 Ų139.283%0.82579%0.785SS**  trans60.4142.4150.1-68.8-100.7000118
2304F30Very low24.6Very low260 Ų260141.8 Ų141.8100%1.1479%0.789SS**  cis-132.9021-137.4-76.2000111.8

Retrieved 2,304 of 2,304 residues in 1540.5 ms (Link to these results)

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