A0A3Q0KL41_SCHMA Loading...

Putative mkiaa1688 protein

AlphaFold DB , UniProt , Accession A0A3Q0KL41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,674 aa.

>A0A3Q0KL41_SCHMA|A0A3Q0KL41
MDISDFNRYDWVQLVDPKSQQLMYINLKSGECSRDPPKNTKYKAVSPNQWWELFDVKVQRNYYYNSSTRETVWEKPVDGDIIPLAKIQLLQQNLQPSSSIIQKSDMGVLRRSNNNNINIDYQEERLSTSLNQRKCTNSFITAEIPDYSFNNMVVQQVNISNNKLNHYPMPISTNNNHNHSAAINETMNSIHSPLSLLSRPTVITDIPNTSNTNHVSIDNQRVRDWLRDAVATTTNEMKSTVINNNTVIATTTANNNINEFIIDNSNTKKPGCLSDRPIRRHNIQSSQLQGLIEFPAPSEDQFPNLQFKSVSHSVNPNHNNSVNLISVYGSTYQTSSSCSTSNYPIQYDQNVPCKFIDNIITTVSSESTTSIQKESDVNNSDESITDIQQITNLSSDKSFQFFNSSMCEVVKQSSMPPTISYGISQPVPRQRAFPRTNPTISRPSGNGTCTLPRPCTIPSEGSPISLFPSVALSQFSDTSSARASITDSKIPIIHGSDSKDSSSLIKQKLIEHVSSNLIPEDISNSDNTPECIITSSSQVLNASLKVSCSVNEVIPSYCSNKYNIKVSSGNYLPVDSPLSASPHPSSSPLSPTSFSSASSATALTTANSEESIDMPNSMMFDSENWNVFSLDIKNDSNLIKNNKTTTSTCLLNTTTDYSRHFPTLDESLNEEEDYLRPPTPPPRSASTLCSPGMPGAFFVTFPNHISLNTITSFDQTAGYIQINSPYSSQPCPSPSSTPITNLSVSSSLSRNHPSRAHVIQPNSRRTHRSQYYTQQIHTDLHSLSNSKEMQFSENSVVDPACFIPPTDSFNSQQPRFIMTSQPNIQLKSTDLPNAVVCSTNGGANVWNTKNITIWDGSNCFKSNTNESIQIVDSNVSKTAVTSTVVSTTTKGYSTANLMNNFPRSASGGFIGPAESTDSSSVWTCGSYNNNNNRSRPTTLRKSTQQIYVHPGHPAFSSFIGPFDWPSHLFKADQDIFTLMSWTKSNFSKRILISSEPSLKKQVAQLFKVIQSFMGDRKARLSLPDYGSIIIHRALSSANLRDELYAQLCKQTTSNPDVKSLTNGWALLCVCLYYFPPNSKFRDHLYAYLQSRADASVILNSGTITTTSTNFNQNDMVEFNNHTVSTESSLKTATAIASGLNPFSANNSNNNLMHKYQQSNDLLTNSKHFTSHSNHNYTMGIALGPWDRPTAAHFARVAPRWFVRSLNVGVRKTSISPSIEEICHVKDFLLKPCVFGSSLDEMMQIQAYRFPHLRLPWIQIFLTEEILRLNGARTEGIFRLSPDMDLLIEVRCQLEKLFEIFRVVQLCDSEQQQNDNNYANDSDLSSRFLVHRPPPSGWSTSARVIEAENNPNSFGVTDSTKCKHNSLLLSSTLDWNCLTGDFSWPILPEPLSLPPAEYVLLTPTAYWPRTLSSIIKRACSMSSSTPLTSTTTSNNSNSTNLESHLAAGLLKLWLRELSQPLIPVELQPMCLKAACEAEVYELQDKDSITGSNLSTDLNPIQKCCRLVRCLNPLPRRSLLYLILLLQHLSKPVHSNQSLMDARNLSTVIAPNIMRSSTSKDPRELLQNVKPQTLFIRLLITYLDIEVELKYLKEEEEARNVSEEDGEDGELKKTVSDTNVDGTDTGVKLMQFINNNDNNNIVSCNHDKFSLSSNGYVYLSSPVRVRLGPDNGFIPI
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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
1M32.3Very low54Low167 Ų167103.4 Ų103.482%0.82351%0.507SS*.  0134.10-64.4-177.4-178.800109D78M1-D78 VanDerWaalsContact CE-O 3.26Å; M1-D78 WeakPolarHBondContact CE-O 3.5Å
2D28.6Very low57Low129 Ų12994.8 Ų94.869%0.6947%0.466SS*.  trans-83.9158.3178.3-75.1-63.7000112.4S4D2-S4 VanDerWaalsContact CB-OG 3.3Å; D2-S4 WeakPolarHBondContact CB-OG 2.78Å; D2-S4 PolarHBondContact O-N 2.87Å
3I40.1Very low59.6Low146 Ų14689.4 Ų89.475%0.74944%0.439SS*.G310 helixtrans-71.6-11.7177.9-63.8172.7000111.5D5 F6I3-D5 PolarHBondContact O-N 3.18Å; I3-F6 PolarHBondContact O-N 3.15Å
4S42.6Very low61.8Low70 Ų7083.1 Ų83.149%0.4941%0.408SS..G310 helixtrans-59.4-38.5-178.646.60000114.5D2 F6 N7D2-S4 VanDerWaalsContact CB-OG 3.3Å; D2-S4 WeakPolarHBondContact CB-OG 2.78Å; D2-S4 PolarHBondContact O-N 2.87Å; S4-F6 VanDerWaalsContact C-N 3.3Å; S4-F6 PolarHBondContact O-N 3.45Å; S4-N7 PolarHBondContact O-N 3.34Å; S4-N7 VanDerWaalsContact O-N 3.16Å
5D45.6Very low63.5Low86 Ų8679.2 Ų79.246%0.4639%0.39SS..G310 helixtrans-69.7-26.1-175.6-80.6-37.8000113.5I3 N7 R8I3-D5 PolarHBondContact O-N 3.18Å; D5-N7 VanDerWaalsContact C-N 3.29Å; D5-N7 PolarHBondContact O-N 3.18Å; D5-R8 PolarHBondContact O-N 3.47Å
6F51.4Low64.8Low50 Ų5076.6 Ų76.622%0.21938%0.379CS..G310 helixtrans-75.4-16.1174.8-78.3-79.9000113.5I3 S4 R8 L27 K43 D80 I81 I82I3-F6 PolarHBondContact O-N 3.15Å; S4-F6 VanDerWaalsContact C-N 3.3Å; S4-F6 PolarHBondContact O-N 3.45Å; F6-R8 PolarHBondContact O-N 2.8Å; F6-L27 HydrophobicContact CD1-CD1 3.92Å; F6-L27 HydrophobicContact CE1-CD1 4.41Å; F6-K43 HydrophobicContact CE1-CD 4.48Å; F6-D80 WeakPolarHBondContact CZ-OD1 3.47Å; F6-I81 WeakPolarHBondContact CE2-O 3.41Å; F6-I81 WeakPolarHBondContact CZ-O 3.28Å; F6-I82 HydrophobicContact CE1-CD1 3.69Å; F6-I82 HydrophobicContact CZ-CD1 3.93Å
7N52.3Low65.5Low127 Ų12774 Ų7468%0.67937%0.369SS*.G310 helixtrans-78.2-2.5173.5-81.7-19.3000113.8S4 D5S4-N7 PolarHBondContact O-N 3.34Å; S4-N7 VanDerWaalsContact O-N 3.16Å; D5-N7 VanDerWaalsContact C-N 3.29Å; D5-N7 PolarHBondContact O-N 3.18Å
8R59.3Low66.1Low182 Ų18279.1 Ų79.169%0.68739%0.388SS*.G310 helixtrans-90.1-17177.5-74.9-178.4169.1175.1-2.4114.7D5 F6D5-R8 PolarHBondContact O-N 3.47Å; F6-R8 PolarHBondContact O-N 2.8Å
9Y71.4Confident67Low84 Ų8477.7 Ų77.733%0.32939%0.387SS..  trans-140.3106.8-171.7-58.4-84.1000111W11 K41 K43Y9-W11 PolarHBondContact O-N 3.16Å; Y9-K41 HydrophobicContact CD1-CB 4.11Å; Y9-K41 HydrophobicContact CE1-CB 4.17Å; Y9-K43 HydrophobicContact CD2-CB 4.37Å; Y9-K43 HydrophobicContact CG-CB 4.14Å
10D80.7Confident67.7Low60 Ų6078.1 Ų78.132%0.32139%0.388SS..SBendtrans-70.3-26.5176.6-72.915000111.7N26 L27 K28D10-N26 CarbonylContact O-C 3.55Å; D10-N26 VanDerWaalsContact O-CA 3.25Å; D10-N26 WeakPolarHBondContact O-CA 3.3Å; D10-N26 PolarHBondContact O-OD1 3.37Å; D10-L27 PolarHBondContact O-N 3.47Å; D10-K28 VanDerWaalsContact CG-CE 3.49Å; D10-K28 WeakPolarHBondContact OD1-CE 3.3Å; D10-K28 IonicContact OD1-NZ 2.67Å; D10-K28 PolarHBondContact OD1-NZ 3.27Å; D10-K28 WeakPolarHBondContact OD2-CD 3.43Å; D10-K28 WeakPolarHBondContact OD2-CE 3.47Å; D10-K28 IonicContact OD2-NZ 2.79Å; D10-K28 PolarHBondContact OD2-NZ 3.09Å
11W89.3Confident68.5Low36 Ų3679.3 Ų79.314%0.13639%0.393CS..EExtended strand (participates in β ladder)trans-109.4141.5177.6-69.992000111.9Y9 I25 N26 E31 P37 Y42 K43Y9-W11 PolarHBondContact O-N 3.16Å; W11-I25 CarbonylContact C-O 3.56Å; W11-I25 WeakPolarHBondContact CA-O 3.33Å; W11-I25 VanDerWaalsContact CE3-C 3.48Å; W11-N26 HydrophobicContact CD2-CB 3.82Å; W11-N26 HydrophobicContact CE3-CB 3.86Å; W11-N26 HydrophobicContact CH2-CB 3.94Å; W11-N26 HydrophobicContact CZ2-CB 3.91Å; W11-N26 HydrophobicContact CZ3-CB 3.92Å; W11-N26 PolarHBondContact NE1-ND2 2.81Å; W11-E31 HydrophobicContact CH2-CB 4.14Å; W11-P37 HydrophobicContact CB-CG 4.2Å; W11-P37 HydrophobicContact CD2-CB 3.96Å; W11-P37 HydrophobicContact CD2-CG 3.62Å; W11-P37 HydrophobicContact CE3-CB 4.34Å; W11-P37 HydrophobicContact CE3-CG 3.92Å; W11-P37 HydrophobicContact CG-CB 4.38Å; W11-P37 HydrophobicContact CG-CG 3.75Å; W11-P37 HydrophobicContact CH2-CB 4.45Å; W11-P37 HydrophobicContact CZ2-CB 4.06Å; W11-Y42 CarbonylContact O-C 3.57Å; W11-Y42 WeakPolarHBondContact O-CA 3.42Å; W11-Y42 WeakPolarHBondContact O-CB 3.47Å; W11-K43 PolarHBondContact O-N 3.45Å
12V90.9Very high71Confident1 Ų175.4 Ų75.41%0.00638%0.375CS..EExtended strand (participates in β ladder)trans-127.3134.6173.7179.20000109.6L14 Y24 I25 L27 K43 I82V12-L14 HydrophobicContact CG1-CD2 3.67Å; V12-L14 HydrophobicContact CG1-CG 4.27Å; V12-Y24 WeakPolarHBondContact O-CA 3.26Å; V12-I25 PolarHBondContact N-O 3.13Å; V12-I25 PolarHBondContact O-N 2.61Å; V12-L27 HydrophobicContact CG2-CD1 3.66Å; V12-L27 HydrophobicContact CG2-CD2 4.42Å; V12-L27 HydrophobicContact CG2-CG 3.91Å; V12-K43 HydrophobicContact CG1-CB 4.4Å; V12-K43 HydrophobicContact CG2-CB 4.12Å; V12-I82 HydrophobicContact CG1-CD1 3.86Å; V12-I82 HydrophobicContact CG1-CG1 4.25Å; V12-I82 HydrophobicContact CG1-CG2 4.3Å
13Q90.2Very high74Confident24 Ų2471.4 Ų71.411%0.11235%0.352CS..EExtended strand (participates in β ladder)trans-85.5133.1171.2-166.9-169.846.900109.6L22 M23 Y24 Y42 K43 V45 Q49Q13-L22 HydrophobicContact CG-CD2 4.06Å; Q13-M23 CarbonylContact C-O 3.15Å; Q13-M23 WeakPolarHBondContact CA-O 3.44Å; Q13-Y24 HydrophobicContact CB-CD1 4.01Å; Q13-Y24 HydrophobicContact CB-CE1 3.89Å; Q13-Y24 HydrophobicContact CG-CD1 4.03Å; Q13-Y24 HydrophobicContact CG-CE1 3.55Å; Q13-Y24 PolarHBondContact NE2-OH 2.84Å; Q13-Y42 HydrophobicContact CB-CD2 4.01Å; Q13-Y42 HydrophobicContact CB-CE2 4.37Å; Q13-K43 VanDerWaalsContact CB-O 3.3Å; Q13-K43 WeakPolarHBondContact CB-O 3.3Å; Q13-K43 PolarHBondContact N-O 2.77Å; Q13-V45 HydrophobicContact CB-CG2 4.16Å; Q13-V45 HydrophobicContact CG-CG2 3.86Å; Q13-V45 WeakPolarHBondContact O-CG2 3.09Å; Q13-Q49 PolarHBondContact O-NE2 3.07Å
14L90.5Very high76.4Confident1 Ų165.2 Ų65.21%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-135.1159.6-174.5-56.9177.6000109.8V12 L22 M23 I25 Q49 W51 I82 L84V12-L14 HydrophobicContact CG1-CD2 3.67Å; V12-L14 HydrophobicContact CG1-CG 4.27Å; L14-L22 WeakPolarHBondContact O-CA 3.24Å; L14-M23 HydrophobicContact CB-CG 3.93Å; L14-M23 PolarHBondContact N-O 3.13Å; L14-M23 PolarHBondContact O-N 3.36Å; L14-I25 HydrophobicContact CD1-CB 4.18Å; L14-I25 HydrophobicContact CD1-CD1 3.54Å; L14-I25 HydrophobicContact CD1-CG1 3.83Å; L14-Q49 VanDerWaalsContact CD2-OE1 3.29Å; L14-W51 HydrophobicContact CB-CH2 4.36Å; L14-W51 HydrophobicContact CB-CZ2 3.75Å; L14-W51 HydrophobicContact CD1-CZ2 4.37Å; L14-W51 HydrophobicContact CD2-CZ2 4.33Å; L14-W51 HydrophobicContact CG-CZ2 4.38Å; L14-I82 HydrophobicContact CD2-CG1 4.16Å; L14-I82 HydrophobicContact CD2-CG2 4.36Å; L14-L84 HydrophobicContact CD1-CD1 4.04Å; L14-L84 HydrophobicContact CD1-CD2 4.29Å
15V87.4Confident78.7Confident25 Ų2562.6 Ų62.615%0.15230%0.3CS..EExtended strand (participates in β ladder)trans-106.3120.7171.4-178.30000109.8P17 L22 V45 W51V15-P17 WeakPolarHBondContact O-CD 3.46Å; V15-L22 HydrophobicContact CG2-CD2 4.02Å; V15-V45 HydrophobicContact CG2-CG1 4Å; V15-V45 HydrophobicContact CG2-CG2 4.01Å; V15-W51 VanDerWaalsContact O-CH2 3.22Å; V15-W51 WeakPolarHBondContact O-CH2 3.23Å; V15-W51 WeakPolarHBondContact O-CZ2 3.32Å
16D83.8Confident80.7Confident38 Ų3859.2 Ų59.220%0.20328%0.282CS..  trans-63.8120.8177167.626.2000111.2K18 S19 Q20 Q21 M23D16-K18 PolarHBondContact O-N 3.22Å; D16-K18 VanDerWaalsContact O-N 3.08Å; D16-K18 WeakPolarHBondContact OD1-CB 3.43Å; D16-K18 PolarHBondContact OD1-N 2.96Å; D16-S19 VanDerWaalsContact OD2-CB 3.22Å; D16-S19 WeakPolarHBondContact OD2-CB 3.28Å; D16-S19 PolarHBondContact OD2-N 3.25Å; D16-S19 PolarHBondContact OD2-OG 3.24Å; D16-Q20 WeakPolarHBondContact O-CA 3.43Å; D16-Q20 PolarHBondContact O-N 3.34Å; D16-Q20 PolarHBondContact O-NE2 3.16Å; D16-Q21 PolarHBondContact N-O 3.25Å; D16-M23 HydrophobicContact CB-SD 4.31Å
17P77.6Confident82.3Confident32 Ų3258.7 Ų58.721%0.20828%0.281CS..THydrogen-bonded Turntrans-70.50.5178.730.6-37.7000114.2V15 W51 Y64 R683V15-P17 WeakPolarHBondContact O-CD 3.46Å; P17-W51 HydrophobicContact CG-CH2 4.38Å; P17-W51 HydrophobicContact CG-CZ3 4.27Å; P17-Y64 HydrophobicContact CB-CE1 3.89Å; P17-Y64 WeakPolarHBondContact CB-OH 3.27Å; P17-Y64 HydrophobicContact CG-CE1 4.24Å; P17-R683 PolarHBondContact O-NH1 3.37Å
18K75.5Confident83.7Confident165 Ų16559.3 Ų59.372%0.71728%0.278SS*.THydrogen-bonded Turntrans-97.9-58.3168.6-71.5178.5177.91770112.7D16D16-K18 PolarHBondContact O-N 3.22Å; D16-K18 VanDerWaalsContact O-N 3.08Å; D16-K18 WeakPolarHBondContact OD1-CB 3.43Å; D16-K18 PolarHBondContact OD1-N 2.96Å
19S83.1Confident84.8Confident53 Ų5353.5 Ų53.537%0.37127%0.265SS..THydrogen-bonded Turntrans-90-14.5-174.964.30000114.7D16 Q21D16-S19 VanDerWaalsContact OD2-CB 3.22Å; D16-S19 WeakPolarHBondContact OD2-CB 3.28Å; D16-S19 PolarHBondContact OD2-N 3.25Å; D16-S19 PolarHBondContact OD2-OG 3.24Å; S19-Q21 PolarHBondContact O-N 3.2Å; S19-Q21 VanDerWaalsContact O-N 3.16Å; S19-Q21 WeakPolarHBondContact OG-CB 3.32Å; S19-Q21 PolarHBondContact OG-N 3.13Å
20Q82.1Confident85.3Confident86 Ų8650.2 Ų50.240%0.40226%0.256SS..  trans57.417.1-169-53-73.7-112.600113.9D16D16-Q20 WeakPolarHBondContact O-CA 3.43Å; D16-Q20 PolarHBondContact O-N 3.34Å; D16-Q20 PolarHBondContact O-NE2 3.16Å
21Q83.6Confident85.4Confident104 Ų10452.9 Ų52.949%0.48627%0.267SS..  trans-83.4151.3172.4-63.4-176.1-24.700110.7D16 S19D16-Q21 PolarHBondContact N-O 3.25Å; S19-Q21 PolarHBondContact O-N 3.2Å; S19-Q21 VanDerWaalsContact O-N 3.16Å; S19-Q21 WeakPolarHBondContact OG-CB 3.32Å; S19-Q21 PolarHBondContact OG-N 3.13Å
22L86.1Confident85.3Confident85 Ų8554.9 Ų54.945%0.44529%0.286SS..EExtended strand (participates in β ladder)trans-70141.6171-67166.2000110.1Q13 L14 V15 V45Q13-L22 HydrophobicContact CG-CD2 4.06Å; L14-L22 WeakPolarHBondContact O-CA 3.24Å; V15-L22 HydrophobicContact CG2-CD2 4.02Å; L22-V45 HydrophobicContact CD2-CG2 3.86Å
23M90.1Very high85Confident44 Ų4456.8 Ų56.822%0.21730%0.299CS..EExtended strand (participates in β ladder)trans-139.1155.5171.967.1-178.3-59.700110.1Q13 L14 D16 I25 C32 S33Q13-M23 CarbonylContact C-O 3.15Å; Q13-M23 WeakPolarHBondContact CA-O 3.44Å; L14-M23 HydrophobicContact CB-CG 3.93Å; L14-M23 PolarHBondContact N-O 3.13Å; L14-M23 PolarHBondContact O-N 3.36Å; D16-M23 HydrophobicContact CB-SD 4.31Å; M23-I25 HydrophobicContact CE-CD1 3.79Å; M23-I25 HydrophobicContact CE-CG1 3.86Å; M23-C32 HydrophobicContact CE-CB 4.04Å; M23-S33 WeakPolarHBondContact CA-O 3.14Å
24Y91.4Very high84.8Confident16 Ų1664.1 Ų64.16%0.06333%0.326CS..EExtended strand (participates in β ladder)trans-117.4124.5-179.6-56.8-93.1000108.4V12 Q13 C32 S33 R34 D35 P36 Y42V12-Y24 WeakPolarHBondContact O-CA 3.26Å; Q13-Y24 HydrophobicContact CB-CD1 4.01Å; Q13-Y24 HydrophobicContact CB-CE1 3.89Å; Q13-Y24 HydrophobicContact CG-CD1 4.03Å; Q13-Y24 HydrophobicContact CG-CE1 3.55Å; Q13-Y24 PolarHBondContact NE2-OH 2.84Å; Y24-C32 CarbonylContact O-C 3.59Å; Y24-C32 VanDerWaalsContact O-CA 3.31Å; Y24-C32 WeakPolarHBondContact O-CA 3.43Å; Y24-S33 PolarHBondContact N-O 3.47Å; Y24-S33 PolarHBondContact O-N 3.17Å; Y24-R34 WeakPolarHBondContact CE2-O 3.41Å; Y24-D35 WeakPolarHBondContact CD2-O 3.42Å; Y24-P36 HydrophobicContact CE1-CB 4.09Å; Y24-P36 HydrophobicContact CE2-CB 4.01Å; Y24-Y42 HydrophobicContact CD1-CD1 4.33Å; Y24-Y42 HydrophobicContact CD1-CD2 4.2Å; Y24-Y42 HydrophobicContact CD1-CE2 4.49Å; Y24-Y42 HydrophobicContact CD1-CG 4.12Å; Y24-Y42 HydrophobicContact CE1-CD1 4.21Å; Y24-Y42 AromaticContact CE1-CD2 3.89Å; Y24-Y42 HydrophobicContact CE1-CD2 3.89Å; Y24-Y42 HydrophobicContact CE1-CE1 4.05Å; Y24-Y42 AromaticContact CE1-CE2 3.74Å; Y24-Y42 HydrophobicContact CE1-CE2 3.74Å; Y24-Y42 HydrophobicContact CE1-CG 4.13Å; Y24-Y42 AromaticContact CE1-CZ 3.81Å
25I89.5Confident84.5Confident15 Ų1569.8 Ų69.88%0.07736%0.356CS..EExtended strand (participates in β ladder)trans-116134176.4-63.6-169.4000109.8W11 V12 L14 M23 E31 C32 I87W11-I25 CarbonylContact C-O 3.56Å; W11-I25 WeakPolarHBondContact CA-O 3.33Å; W11-I25 VanDerWaalsContact CE3-C 3.48Å; V12-I25 PolarHBondContact N-O 3.13Å; V12-I25 PolarHBondContact O-N 2.61Å; L14-I25 HydrophobicContact CD1-CB 4.18Å; L14-I25 HydrophobicContact CD1-CD1 3.54Å; L14-I25 HydrophobicContact CD1-CG1 3.83Å; M23-I25 HydrophobicContact CE-CD1 3.79Å; M23-I25 HydrophobicContact CE-CG1 3.86Å; I25-E31 WeakPolarHBondContact CA-O 3.4Å; I25-C32 HydrophobicContact CG1-CB 4.08Å; I25-I87 HydrophobicContact CG2-CD1 3.74Å
26N89.1Confident84.3Confident15 Ų1571.9 Ų71.98%0.0837%0.37CS..EExtended strand (participates in β ladder)trans-84.9120168.7-173.7-48.1000109.8D10 W11 K28 S29 G30 E31D10-N26 CarbonylContact O-C 3.55Å; D10-N26 VanDerWaalsContact O-CA 3.25Å; D10-N26 WeakPolarHBondContact O-CA 3.3Å; D10-N26 PolarHBondContact O-OD1 3.37Å; W11-N26 HydrophobicContact CD2-CB 3.82Å; W11-N26 HydrophobicContact CE3-CB 3.86Å; W11-N26 HydrophobicContact CH2-CB 3.94Å; W11-N26 HydrophobicContact CZ2-CB 3.91Å; W11-N26 HydrophobicContact CZ3-CB 3.92Å; W11-N26 PolarHBondContact NE1-ND2 2.81Å; N26-K28 VanDerWaalsContact C-N 3.26Å; N26-K28 PolarHBondContact O-N 3.05Å; N26-K28 WeakPolarHBondContact OD1-CA 3.06Å; N26-K28 WeakPolarHBondContact OD1-CB 3.45Å; N26-K28 PolarHBondContact OD1-N 3.22Å; N26-S29 WeakPolarHBondContact CB-OG 3.48Å; N26-S29 PolarHBondContact ND2-OG 2.92Å; N26-S29 PolarHBondContact OD1-N 3.08Å; N26-S29 PolarHBondContact OD1-OG 3.05Å; N26-G30 WeakPolarHBondContact O-CA 3.39Å; N26-G30 PolarHBondContact O-N 3.28Å; N26-E31 HydrophobicContact CB-CB 4.37Å; N26-E31 PolarHBondContact N-O 3.15Å
27L84.7Confident84.2Confident39 Ų3971 Ų7120%0.20437%0.367CS..THydrogen-bonded Turntrans-73.9-14.2-176.2-65.2-175000114.1F6 D10 V12 I82 L84 I87F6-L27 HydrophobicContact CD1-CD1 3.92Å; F6-L27 HydrophobicContact CE1-CD1 4.41Å; D10-L27 PolarHBondContact O-N 3.47Å; V12-L27 HydrophobicContact CG2-CD1 3.66Å; V12-L27 HydrophobicContact CG2-CD2 4.42Å; V12-L27 HydrophobicContact CG2-CG 3.91Å; L27-I82 HydrophobicContact CD1-CG2 4.48Å; L27-I82 HydrophobicContact CD2-CG2 3.88Å; L27-L84 HydrophobicContact CD2-CD2 4.08Å; L27-I87 HydrophobicContact CD2-CD1 3.82Å
28K81.6Confident84.3Confident140 Ų14078.7 Ų78.761%0.60940%0.397SS*.THydrogen-bonded Turntrans-96.9-46.2178.6-64.1179.3-175.3164.50112.5D10 N26D10-K28 VanDerWaalsContact CG-CE 3.49Å; D10-K28 WeakPolarHBondContact OD1-CE 3.3Å; D10-K28 IonicContact OD1-NZ 2.67Å; D10-K28 PolarHBondContact OD1-NZ 3.27Å; D10-K28 WeakPolarHBondContact OD2-CD 3.43Å; D10-K28 WeakPolarHBondContact OD2-CE 3.47Å; D10-K28 IonicContact OD2-NZ 2.79Å; D10-K28 PolarHBondContact OD2-NZ 3.09Å; N26-K28 VanDerWaalsContact C-N 3.26Å; N26-K28 PolarHBondContact O-N 3.05Å; N26-K28 WeakPolarHBondContact OD1-CA 3.06Å; N26-K28 WeakPolarHBondContact OD1-CB 3.45Å; N26-K28 PolarHBondContact OD1-N 3.22Å
29S81.3Confident84.4Confident61 Ų6179.3 Ų79.343%0.42741%0.408SS..THydrogen-bonded Turntrans-89.3-21.3-17962.80000113.8N26 E31N26-S29 WeakPolarHBondContact CB-OG 3.48Å; N26-S29 PolarHBondContact ND2-OG 2.92Å; N26-S29 PolarHBondContact OD1-N 3.08Å; N26-S29 PolarHBondContact OD1-OG 3.05Å; S29-E31 VanDerWaalsContact CB-OE2 3.27Å; S29-E31 WeakPolarHBondContact CB-OE2 3.13Å; S29-E31 PolarHBondContact O-N 3.49Å; S29-E31 WeakPolarHBondContact OG-CB 3.28Å; S29-E31 WeakPolarHBondContact OG-CG 3.48Å; S29-E31 PolarHBondContact OG-N 3.25Å; S29-E31 PolarHBondContact OG-OE2 3.09Å
30G83.2Confident84.1Confident14 Ų1479.6 Ų79.614%0.14441%0.407CS..  trans74.97.1-173.900000114.2N26 Q91N26-G30 WeakPolarHBondContact O-CA 3.39Å; N26-G30 PolarHBondContact O-N 3.28Å; G30-Q91 PolarHBondContact O-NE2 3.13Å
31E82.4Confident83.9Confident116 Ų11683.7 Ų83.754%0.54242%0.424SS..  trans-65.6144.6174.3-68.3167.5122.500111.2W11 I25 N26 S29W11-E31 HydrophobicContact CH2-CB 4.14Å; I25-E31 WeakPolarHBondContact CA-O 3.4Å; N26-E31 HydrophobicContact CB-CB 4.37Å; N26-E31 PolarHBondContact N-O 3.15Å; S29-E31 VanDerWaalsContact CB-OE2 3.27Å; S29-E31 WeakPolarHBondContact CB-OE2 3.13Å; S29-E31 PolarHBondContact O-N 3.49Å; S29-E31 WeakPolarHBondContact OG-CB 3.28Å; S29-E31 WeakPolarHBondContact OG-CG 3.48Å; S29-E31 PolarHBondContact OG-N 3.25Å; S29-E31 PolarHBondContact OG-OE2 3.09Å
32C86.5Confident84Confident79 Ų7982.9 Ų82.953%0.53442%0.417SS..EExtended strand (participates in β ladder)trans-129.1133.8176.661.60000111.7M23 Y24 I25M23-C32 HydrophobicContact CE-CB 4.04Å; Y24-C32 CarbonylContact O-C 3.59Å; Y24-C32 VanDerWaalsContact O-CA 3.31Å; Y24-C32 WeakPolarHBondContact O-CA 3.43Å; I25-C32 HydrophobicContact CG1-CB 4.08Å
33S86.4Confident84Confident40 Ų4080.7 Ų80.728%0.2840%0.404SS..EExtended strand (participates in β ladder)trans-124.6154.9176.6-177.20000110.8M23 Y24 D35M23-S33 WeakPolarHBondContact CA-O 3.14Å; Y24-S33 PolarHBondContact N-O 3.47Å; Y24-S33 PolarHBondContact O-N 3.17Å; S33-D35 WeakPolarHBondContact CB-O 3.21Å; S33-D35 PolarHBondContact OG-N 3.4Å; S33-D35 VanDerWaalsContact OG-N 3.12Å; S33-D35 PolarHBondContact OG-O 2.95Å
34R84.2Confident83.8Confident178 Ų17881.3 Ų81.367%0.67242%0.416SS*.SBendtrans-89.5-35.6164.7-70.9-175.6174.5-174.6-4.3111.7Y24Y24-R34 WeakPolarHBondContact CE2-O 3.41Å
35D85.1Confident83.5Confident121 Ų12182.5 Ų82.565%0.64743%0.425SS*.SBendtrans-84.6145.4177.8-56.1-55.3000110.9Y24 S33Y24-D35 WeakPolarHBondContact CD2-O 3.42Å; S33-D35 WeakPolarHBondContact CB-O 3.21Å; S33-D35 PolarHBondContact OG-N 3.4Å; S33-D35 VanDerWaalsContact OG-N 3.12Å; S33-D35 PolarHBondContact OG-O 2.95Å
36P82.8Confident83.2Confident68 Ų6883.4 Ų83.444%0.44243%0.432SS..  trans-62.2131.5178.523.9-32.8000111.3Y24 K38 Y42Y24-P36 HydrophobicContact CE1-CB 4.09Å; Y24-P36 HydrophobicContact CE2-CB 4.01Å; P36-K38 PolarHBondContact O-N 2.7Å; P36-K38 VanDerWaalsContact O-N 3.09Å; P36-Y42 HydrophobicContact CB-CE1 4.27Å
37P81.1Confident82.7Confident21 Ų2187.7 Ų87.714%0.13646%0.461CS..  trans-67.2109.2-177.126.1-34.5000111.4W11 N39 T40 Y42W11-P37 HydrophobicContact CB-CG 4.2Å; W11-P37 HydrophobicContact CD2-CB 3.96Å; W11-P37 HydrophobicContact CD2-CG 3.62Å; W11-P37 HydrophobicContact CE3-CB 4.34Å; W11-P37 HydrophobicContact CE3-CG 3.92Å; W11-P37 HydrophobicContact CG-CB 4.38Å; W11-P37 HydrophobicContact CG-CG 3.75Å; W11-P37 HydrophobicContact CH2-CB 4.45Å; W11-P37 HydrophobicContact CZ2-CB 4.06Å; P37-N39 PolarHBondContact O-N 3.32Å; P37-T40 WeakPolarHBondContact CB-OG1 3.31Å; P37-T40 VanDerWaalsContact CG-OG1 3.28Å; P37-T40 WeakPolarHBondContact CG-OG1 3.36Å; P37-T40 PolarHBondContact O-N 3.47Å; P37-T40 PolarHBondContact O-OG1 3.35Å; P37-Y42 HydrophobicContact CG-CD1 4.49Å
38K80Confident82.8Confident192 Ų19289.3 Ų89.384%0.83547%0.47SS*.THydrogen-bonded Turntrans-48.9132.7-173-63.3-178-179.2-179.90112.3P36 T40P36-K38 PolarHBondContact O-N 2.7Å; P36-K38 VanDerWaalsContact O-N 3.09Å; K38-T40 PolarHBondContact O-N 3.26Å; K38-T40 VanDerWaalsContact O-N 3.16Å
39N78Confident83.2Confident178 Ų17882.6 Ų82.695%0.95244%0.441SS*.THydrogen-bonded Turntrans58.517.6176.8-59.1-2.7000116.1P37P37-N39 PolarHBondContact O-N 3.32Å
40T76Confident83.8Confident59 Ų5980.8 Ų80.836%0.36243%0.425SS..  trans-112.6146.2176.266.80000112.5P37 K38P37-T40 WeakPolarHBondContact CB-OG1 3.31Å; P37-T40 VanDerWaalsContact CG-OG1 3.28Å; P37-T40 WeakPolarHBondContact CG-OG1 3.36Å; P37-T40 PolarHBondContact O-N 3.47Å; P37-T40 PolarHBondContact O-OG1 3.35Å; K38-T40 PolarHBondContact O-N 3.26Å; K38-T40 VanDerWaalsContact O-N 3.16Å
41K79.6Confident84.2Confident173 Ų17381.2 Ų81.275%0.75242%0.422SS*.  trans-81.1121.9172.8-67.7-178179.7178.90109.2Y9Y9-K41 HydrophobicContact CD1-CB 4.11Å; Y9-K41 HydrophobicContact CE1-CB 4.17Å
42Y85.5Confident84.8Confident86 Ų8677.2 Ų77.234%0.33740%0.403SS..EExtended strand (participates in β ladder)trans-115153.3173.157.7-96000111.4W11 Q13 Y24 P36 P37W11-Y42 CarbonylContact O-C 3.57Å; W11-Y42 WeakPolarHBondContact O-CA 3.42Å; W11-Y42 WeakPolarHBondContact O-CB 3.47Å; Q13-Y42 HydrophobicContact CB-CD2 4.01Å; Q13-Y42 HydrophobicContact CB-CE2 4.37Å; Y24-Y42 HydrophobicContact CD1-CD1 4.33Å; Y24-Y42 HydrophobicContact CD1-CD2 4.2Å; Y24-Y42 HydrophobicContact CD1-CE2 4.49Å; Y24-Y42 HydrophobicContact CD1-CG 4.12Å; Y24-Y42 HydrophobicContact CE1-CD1 4.21Å; Y24-Y42 AromaticContact CE1-CD2 3.89Å; Y24-Y42 HydrophobicContact CE1-CD2 3.89Å; Y24-Y42 HydrophobicContact CE1-CE1 4.05Å; Y24-Y42 AromaticContact CE1-CE2 3.74Å; Y24-Y42 HydrophobicContact CE1-CE2 3.74Å; Y24-Y42 HydrophobicContact CE1-CG 4.13Å; Y24-Y42 AromaticContact CE1-CZ 3.81Å; P36-Y42 HydrophobicContact CB-CE1 4.27Å; P37-Y42 HydrophobicContact CG-CD1 4.49Å
43K86.3Confident85.1Confident40 Ų4074.7 Ų74.717%0.17438%0.384CS..EExtended strand (participates in β ladder)trans-77.4124.1169.9-163.9178-165.6178.60109.1F6 Y9 W11 V12 Q13 D80F6-K43 HydrophobicContact CE1-CD 4.48Å; Y9-K43 HydrophobicContact CD2-CB 4.37Å; Y9-K43 HydrophobicContact CG-CB 4.14Å; W11-K43 PolarHBondContact O-N 3.45Å; V12-K43 HydrophobicContact CG1-CB 4.4Å; V12-K43 HydrophobicContact CG2-CB 4.12Å; Q13-K43 VanDerWaalsContact CB-O 3.3Å; Q13-K43 WeakPolarHBondContact CB-O 3.3Å; Q13-K43 PolarHBondContact N-O 2.77Å; K43-D80 WeakPolarHBondContact CE-OD2 3.12Å; K43-D80 IonicContact NZ-OD1 2.9Å; K43-D80 PolarHBondContact NZ-OD1 3.16Å; K43-D80 IonicContact NZ-OD2 3.5Å; K43-D80 PolarHBondContact NZ-OD2 2.8Å
44A84.5Confident85.4Confident56 Ų5674.6 Ų74.646%0.46338%0.379SS..PPolyproline II helixtrans-70.7161.6178.500000112.2
45V85.1Confident85.7Confident42 Ų4268.3 Ų68.326%0.25536%0.358SS..PPolyproline II helixtrans-62.9138.2169.9175.20000109.9Q13 V15 L22Q13-V45 HydrophobicContact CB-CG2 4.16Å; Q13-V45 HydrophobicContact CG-CG2 3.86Å; Q13-V45 WeakPolarHBondContact O-CG2 3.09Å; V15-V45 HydrophobicContact CG2-CG1 4Å; V15-V45 HydrophobicContact CG2-CG2 4.01Å; L22-V45 HydrophobicContact CD2-CG2 3.86Å
46S83.9Confident85.8Confident33 Ų3365.5 Ų65.523%0.23135%0.346CS..  trans-124.3153.1170.579.70000110.3N48 Q49S46-N48 PolarHBondContact O-N 3.17Å; S46-Q49 WeakPolarHBondContact O-CB 3.35Å; S46-Q49 PolarHBondContact O-N 3Å; S46-Q49 VanDerWaalsContact O-N 3.11Å; S46-Q49 PolarHBondContact OG-N 3.15Å
47P78.8Confident85.6Confident106 Ų10671.6 Ų71.669%0.68837%0.365SS*.THydrogen-bonded Turntrans-65.2-21.7177.926.3-34.6000112.7N65P47-N65 PolarHBondContact O-ND2 3.11Å
48N86.6Confident85.8Confident72 Ų7274.4 Ų74.439%0.38538%0.382SS..THydrogen-bonded Turntrans-100.523.7176.5-167.722.1000112.3S46 W50 D78 D80S46-N48 PolarHBondContact O-N 3.17Å; N48-W50 VanDerWaalsContact O-CD1 3.25Å; N48-W50 PolarHBondContact OD1-NE1 3Å; N48-W50 VanDerWaalsContact OD1-NE1 3.08Å; N48-D78 PolarHBondContact ND2-O 3.16Å; N48-D80 WeakPolarHBondContact O-CB 3.32Å; N48-D80 PolarHBondContact O-N 2.89Å
49Q90.7Very high86.1Confident0 Ų071.1 Ų71.10%037%0.37CS..EExtended strand (participates in β ladder)trans-81.4119.6174.9-170-172.180.400110.2Q13 L14 S46 D80 I82Q13-Q49 PolarHBondContact O-NE2 3.07Å; L14-Q49 VanDerWaalsContact CD2-OE1 3.29Å; S46-Q49 WeakPolarHBondContact O-CB 3.35Å; S46-Q49 PolarHBondContact O-N 3Å; S46-Q49 VanDerWaalsContact O-N 3.11Å; S46-Q49 PolarHBondContact OG-N 3.15Å; Q49-D80 WeakPolarHBondContact CA-O 3.32Å; Q49-I82 HydrophobicContact CG-CD1 3.92Å; Q49-I82 HydrophobicContact CG-CG1 3.6Å
50W92.6Very high86.6Confident23 Ų2368.4 Ų68.49%0.08735%0.346CS..EExtended strand (participates in β ladder)trans-112.9141.8178.5-68.784.9000110.5N48 Y64 N65 E70 V72 P76 D80 I81 I82N48-W50 VanDerWaalsContact O-CD1 3.25Å; N48-W50 PolarHBondContact OD1-NE1 3Å; N48-W50 VanDerWaalsContact OD1-NE1 3.08Å; W50-Y64 CarbonylContact C-O 3.6Å; W50-N65 HydrophobicContact CD2-CB 3.76Å; W50-N65 HydrophobicContact CE3-CB 3.66Å; W50-N65 HydrophobicContact CG-CB 4.47Å; W50-N65 HydrophobicContact CH2-CB 3.82Å; W50-N65 HydrophobicContact CZ2-CB 3.92Å; W50-N65 HydrophobicContact CZ3-CB 3.69Å; W50-E70 HydrophobicContact CH2-CB 3.98Å; W50-E70 HydrophobicContact CZ3-CB 4.34Å; W50-V72 HydrophobicContact CE3-CG2 4.34Å; W50-V72 HydrophobicContact CH2-CG2 4.38Å; W50-V72 HydrophobicContact CZ3-CG2 3.82Å; W50-P76 HydrophobicContact CD2-CB 4.26Å; W50-P76 HydrophobicContact CD2-CG 3.55Å; W50-P76 HydrophobicContact CE3-CG 3.8Å; W50-P76 HydrophobicContact CG-CB 4.37Å; W50-P76 HydrophobicContact CG-CG 3.87Å; W50-P76 HydrophobicContact CZ2-CG 4.32Å; W50-P76 HydrophobicContact CZ3-CG 4.31Å; W50-D80 PolarHBondContact N-O 3.33Å; W50-I81 HydrophobicContact CB-CG1 3.85Å; W50-I81 CarbonylContact O-C 3.52Å; W50-I81 WeakPolarHBondContact O-CA 3.45Å; W50-I82 PolarHBondContact O-N 3.07Å
51W92.5Very high87.4Confident22 Ų2267.9 Ų67.98%0.08334%0.341CS..EExtended strand (participates in β ladder)trans-105.8116.8179.8-60.111.9000108.7L14 V15 P17 L53 Y63 Y64 L84L14-W51 HydrophobicContact CB-CH2 4.36Å; L14-W51 HydrophobicContact CB-CZ2 3.75Å; L14-W51 HydrophobicContact CD1-CZ2 4.37Å; L14-W51 HydrophobicContact CD2-CZ2 4.33Å; L14-W51 HydrophobicContact CG-CZ2 4.38Å; V15-W51 VanDerWaalsContact O-CH2 3.22Å; V15-W51 WeakPolarHBondContact O-CH2 3.23Å; V15-W51 WeakPolarHBondContact O-CZ2 3.32Å; P17-W51 HydrophobicContact CG-CH2 4.38Å; P17-W51 HydrophobicContact CG-CZ3 4.27Å; W51-L53 HydrophobicContact CB-CD1 4.39Å; W51-L53 HydrophobicContact CB-CG 4.32Å; W51-L53 HydrophobicContact CE3-CD1 4.49Å; W51-L53 PolarHBondContact O-N 3.17Å; W51-Y63 WeakPolarHBondContact O-CA 3.07Å; W51-Y64 WeakPolarHBondContact CB-O 3.36Å; W51-Y64 HydrophobicContact CD2-CD1 4.44Å; W51-Y64 HydrophobicContact CE3-CD1 4.37Å; W51-Y64 PolarHBondContact N-O 2.96Å; W51-Y64 PolarHBondContact O-N 2.78Å; W51-L84 HydrophobicContact CB-CD1 4.01Å; W51-L84 HydrophobicContact CD2-CD1 3.7Å; W51-L84 HydrophobicContact CE3-CD1 3.63Å; W51-L84 HydrophobicContact CG-CD1 3.86Å; W51-L84 HydrophobicContact CZ3-CD1 4.34Å
52E94.3Very high88.1Confident33 Ų3362.4 Ų62.415%0.15432%0.316CS..EExtended strand (participates in β ladder)trans-78.7117.7170.4-178.4167.9-124.300109.4N61 Y63 I81 I82 L84 A85E52-N61 HydrophobicContact CG-CB 4.19Å; E52-N61 WeakPolarHBondContact CG-ND2 3.44Å; E52-N61 PolarHBondContact OE1-ND2 3.06Å; E52-Y63 HydrophobicContact CB-CD1 3.89Å; E52-Y63 HydrophobicContact CB-CE1 3.63Å; E52-Y63 HydrophobicContact CG-CD1 4.2Å; E52-Y63 HydrophobicContact CG-CE1 3.54Å; E52-Y63 VanDerWaalsContact OE1-CE1 3.26Å; E52-Y63 WeakPolarHBondContact OE1-CE1 3.41Å; E52-Y63 VanDerWaalsContact OE1-CZ 3.3Å; E52-Y63 PolarHBondContact OE1-OH 3.19Å; E52-I81 HydrophobicContact CB-CG2 3.82Å; E52-I82 PolarHBondContact N-O 3.46Å; E52-L84 CarbonylContact O-C 3.6Å; E52-L84 WeakPolarHBondContact O-CA 3.24Å; E52-L84 PolarHBondContact O-N 3.34Å; E52-A85 HydrophobicContact CG-CB 4.36Å; E52-A85 PolarHBondContact O-N 3.23Å
53L93.3Very high88.6Confident26 Ų2659.2 Ų59.214%0.13630%0.303CS..EExtended strand (participates in β ladder)trans-129.2153.2-176.7-65.7170.5000109.7W51 N61 Y62 L84W51-L53 HydrophobicContact CB-CD1 4.39Å; W51-L53 HydrophobicContact CB-CG 4.32Å; W51-L53 HydrophobicContact CE3-CD1 4.49Å; W51-L53 PolarHBondContact O-N 3.17Å; L53-N61 CarbonylContact O-C 3.48Å; L53-N61 VanDerWaalsContact O-CA 3.23Å; L53-N61 WeakPolarHBondContact O-CA 3.35Å; L53-Y62 HydrophobicContact CB-CD1 4.21Å; L53-Y62 HydrophobicContact CB-CD2 4.32Å; L53-Y62 HydrophobicContact CB-CE1 3.69Å; L53-Y62 HydrophobicContact CB-CE2 3.83Å; L53-Y62 VanDerWaalsContact CB-CZ 3.49Å; L53-Y62 HydrophobicContact CD1-CE2 3.76Å; L53-Y62 HydrophobicContact CG-CE2 4.4Å; L53-Y62 PolarHBondContact N-O 3.33Å; L53-Y62 PolarHBondContact O-N 3.45Å; L53-L84 HydrophobicContact CD2-CB 3.84Å; L53-L84 HydrophobicContact CD2-CD1 4.48Å
54F92.6Very high88.9Confident37 Ų3758.8 Ų58.816%0.16230%0.301CS..EExtended strand (participates in β ladder)trans-104.5123.9-178.3-171.3-95.5000111V56 Q59 N61 A85 Q88F54-V56 HydrophobicContact CD1-CG2 4.06Å; F54-V56 HydrophobicContact CE1-CG2 4.37Å; F54-Q59 HydrophobicContact CZ-CB 4.33Å; F54-N61 WeakPolarHBondContact CD2-OD1 3.43Å; F54-A85 HydrophobicContact CB-CB 4.25Å; F54-Q88 PolarHBondContact O-NE2 2.67Å
55D91.1Very high89.2Confident46 Ų4656.2 Ų56.225%0.24628%0.28CS..EExtended strand (participates in β ladder)trans-87.7114.8167.8-170.2-16.8000110K57 V58 Q59 R60 Y62 W73D55-K57 VanDerWaalsContact C-N 3.27Å; D55-K57 PolarHBondContact O-N 2.93Å; D55-K57 WeakPolarHBondContact OD1-CB 3.4Å; D55-K57 PolarHBondContact OD1-N 2.73Å; D55-V58 HydrophobicContact CB-CB 4.34Å; D55-V58 PolarHBondContact O-N 2.82Å; D55-Q59 WeakPolarHBondContact O-CA 3.03Å; D55-Q59 PolarHBondContact O-N 2.92Å; D55-R60 PolarHBondContact N-O 3.34Å; D55-R60 PolarHBondContact O-N 3.2Å; D55-Y62 HydrophobicContact CB-CD1 4.05Å; D55-Y62 HydrophobicContact CB-CE1 4.19Å; D55-W73 HydrophobicContact CB-CH2 3.95Å; D55-W73 HydrophobicContact CB-CZ3 4.22Å
56V85.6Confident89Confident62 Ų6254.4 Ų54.438%0.37627%0.268SS..THydrogen-bonded Turntrans-67.5-25.3179.2-175.40000112.3F54 Q59F54-V56 HydrophobicContact CD1-CG2 4.06Å; F54-V56 HydrophobicContact CE1-CG2 4.37Å; V56-Q59 PolarHBondContact O-NE2 3.47Å
57K79.3Confident89Confident196 Ų19655.6 Ų55.685%0.85228%0.277SS*.THydrogen-bonded Turntrans-75.9-40.6177.1-63.5-176.8176.2-175.30112.3D55D55-K57 VanDerWaalsContact C-N 3.27Å; D55-K57 PolarHBondContact O-N 2.93Å; D55-K57 WeakPolarHBondContact OD1-CB 3.4Å; D55-K57 PolarHBondContact OD1-N 2.73Å
58V85.4Confident89.4Confident80 Ų8054 Ų5449%0.48527%0.265SS..THydrogen-bonded Turntrans-95.4-9.7-176.3-169.80000111.8D55 R60 W73D55-V58 HydrophobicContact CB-CB 4.34Å; D55-V58 PolarHBondContact O-N 2.82Å; V58-R60 HydrophobicContact CG1-CB 4.14Å; V58-R60 PolarHBondContact O-N 3.02Å; V58-W73 HydrophobicContact CB-CH2 4.02Å; V58-W73 HydrophobicContact CB-CZ3 4.24Å; V58-W73 HydrophobicContact CG1-CH2 4.23Å; V58-W73 HydrophobicContact CG1-CZ3 4.21Å; V58-W73 HydrophobicContact CG2-CH2 3.86Å; V58-W73 HydrophobicContact CG2-CZ2 4.46Å
59Q86.3Confident89.4Confident124 Ų12457.5 Ų57.558%0.57927%0.273SS*.THydrogen-bonded Turntrans54.634.4-177-64.5-73.2-53.400113.1F54 D55 V56F54-Q59 HydrophobicContact CZ-CB 4.33Å; D55-Q59 WeakPolarHBondContact O-CA 3.03Å; D55-Q59 PolarHBondContact O-N 2.92Å; V56-Q59 PolarHBondContact O-NE2 3.47Å
60R89.2Confident89.3Confident120 Ų12062.6 Ų62.645%0.45330%0.297SS..EExtended strand (participates in β ladder)trans-137.7148.2-172.5-173.8-179.9168.1152.7-1.9111.1D55 V58 W73D55-R60 PolarHBondContact N-O 3.34Å; D55-R60 PolarHBondContact O-N 3.2Å; V58-R60 HydrophobicContact CG1-CB 4.14Å; V58-R60 PolarHBondContact O-N 3.02Å; R60-W73 HydrophobicContact CB-CE3 4.48Å; R60-W73 HydrophobicContact CB-CZ3 4.22Å; R60-W73 HydrophobicContact CG-CE3 4.25Å; R60-W73 HydrophobicContact CG-CZ3 4.47Å; R60-W73 PolarHBondContact NE-O 3.03Å; R60-W73 PolarHBondContact NH2-O 3.33Å
61N92.5Very high89.3Confident49 Ų4965.4 Ų65.426%0.26232%0.317SS..EExtended strand (participates in β ladder)trans-70.6141169.3-68.46.3000110.9E52 L53 F54E52-N61 HydrophobicContact CG-CB 4.19Å; E52-N61 WeakPolarHBondContact CG-ND2 3.44Å; E52-N61 PolarHBondContact OE1-ND2 3.06Å; L53-N61 CarbonylContact O-C 3.48Å; L53-N61 VanDerWaalsContact O-CA 3.23Å; L53-N61 WeakPolarHBondContact O-CA 3.35Å; F54-N61 WeakPolarHBondContact CD2-OD1 3.43Å
62Y94.4Very high89.3Confident58 Ų5867 Ų6723%0.22733%0.329CS..EExtended strand (participates in β ladder)trans-124.2157.3164.169.3-89000109.7L53 D55 T71L53-Y62 HydrophobicContact CB-CD1 4.21Å; L53-Y62 HydrophobicContact CB-CD2 4.32Å; L53-Y62 HydrophobicContact CB-CE1 3.69Å; L53-Y62 HydrophobicContact CB-CE2 3.83Å; L53-Y62 VanDerWaalsContact CB-CZ 3.49Å; L53-Y62 HydrophobicContact CD1-CE2 3.76Å; L53-Y62 HydrophobicContact CG-CE2 4.4Å; L53-Y62 PolarHBondContact N-O 3.33Å; L53-Y62 PolarHBondContact O-N 3.45Å; D55-Y62 HydrophobicContact CB-CD1 4.05Å; D55-Y62 HydrophobicContact CB-CE1 4.19Å; Y62-T71 HydrophobicContact CD2-CG2 3.58Å; Y62-T71 HydrophobicContact CE2-CG2 4.1Å; Y62-T71 HydrophobicContact CG-CG2 4.44Å
63Y94.9Very high89.3Confident18 Ų1870.8 Ų70.87%0.07134%0.342CS..EExtended strand (participates in β ladder)trans-116126.4-178.3-55.3-85.5000109.3W51 E52 T71 V72 E74 K75 P76 I81W51-Y63 WeakPolarHBondContact O-CA 3.07Å; E52-Y63 HydrophobicContact CB-CD1 3.89Å; E52-Y63 HydrophobicContact CB-CE1 3.63Å; E52-Y63 HydrophobicContact CG-CD1 4.2Å; E52-Y63 HydrophobicContact CG-CE1 3.54Å; E52-Y63 VanDerWaalsContact OE1-CE1 3.26Å; E52-Y63 WeakPolarHBondContact OE1-CE1 3.41Å; E52-Y63 VanDerWaalsContact OE1-CZ 3.3Å; E52-Y63 PolarHBondContact OE1-OH 3.19Å; Y63-T71 WeakPolarHBondContact O-CA 3.26Å; Y63-V72 PolarHBondContact N-O 3.41Å; Y63-V72 PolarHBondContact O-N 2.77Å; Y63-E74 VanDerWaalsContact CD2-O 3.29Å; Y63-E74 WeakPolarHBondContact CD2-O 3.37Å; Y63-K75 HydrophobicContact CD2-CB 4.48Å; Y63-K75 HydrophobicContact CE1-CG 4.06Å; Y63-K75 VanDerWaalsContact CE2-CA 3.48Å; Y63-K75 HydrophobicContact CE2-CB 3.81Å; Y63-K75 HydrophobicContact CE2-CG 4.2Å; Y63-P76 HydrophobicContact CG-CG 4.48Å; Y63-I81 HydrophobicContact CD1-CD1 4.36Å; Y63-I81 HydrophobicContact CD1-CG1 4.38Å; Y63-I81 HydrophobicContact CD1-CG2 4Å; Y63-I81 HydrophobicContact CE1-CD1 4.4Å; Y63-I81 HydrophobicContact CE1-CG2 3.92Å
64Y92.9Very high89.1Confident31 Ų3176.6 Ų76.612%0.12237%0.368CS..EExtended strand (participates in β ladder)trans-120.8125.2-178174.5-103.7000110.8P17 W50 W51 E70 T71P17-Y64 HydrophobicContact CB-CE1 3.89Å; P17-Y64 WeakPolarHBondContact CB-OH 3.27Å; P17-Y64 HydrophobicContact CG-CE1 4.24Å; W50-Y64 CarbonylContact C-O 3.6Å; W51-Y64 WeakPolarHBondContact CB-O 3.36Å; W51-Y64 HydrophobicContact CD2-CD1 4.44Å; W51-Y64 HydrophobicContact CE3-CD1 4.37Å; W51-Y64 PolarHBondContact N-O 2.96Å; W51-Y64 PolarHBondContact O-N 2.78Å; Y64-E70 WeakPolarHBondContact CA-O 3.27Å; Y64-E70 WeakPolarHBondContact CD2-O 3.15Å; Y64-T71 WeakPolarHBondContact CD2-OG1 3.48Å
65N90.7Very high89.1Confident3 Ų381.1 Ų81.12%0.01639%0.388CS..EExtended strand (participates in β ladder)trans-93.4118.7173.6-176.7-36.6000109.1P47 W50 S67 T68 R69 E70P47-N65 PolarHBondContact O-ND2 3.11Å; W50-N65 HydrophobicContact CD2-CB 3.76Å; W50-N65 HydrophobicContact CE3-CB 3.66Å; W50-N65 HydrophobicContact CG-CB 4.47Å; W50-N65 HydrophobicContact CH2-CB 3.82Å; W50-N65 HydrophobicContact CZ2-CB 3.92Å; W50-N65 HydrophobicContact CZ3-CB 3.69Å; N65-S67 PolarHBondContact O-N 3.37Å; N65-S67 WeakPolarHBondContact OD1-CA 3.34Å; N65-S67 VanDerWaalsContact OD1-CB 3.23Å; N65-S67 WeakPolarHBondContact OD1-CB 3.34Å; N65-S67 PolarHBondContact OD1-N 2.92Å; N65-T68 WeakPolarHBondContact CB-OG1 3.49Å; N65-T68 PolarHBondContact OD1-N 2.98Å; N65-R69 WeakPolarHBondContact O-CA 3.27Å; N65-R69 PolarHBondContact O-N 3.35Å; N65-E70 PolarHBondContact N-O 3.2Å
66S82.3Confident89Confident3 Ų380.1 Ų80.12%0.02138%0.384CS..THydrogen-bonded Turntrans-68.7-20.7-179.2530000114
67S82.5Confident88.8Confident58 Ų5883.4 Ų83.441%0.40640%0.403SS..THydrogen-bonded Turntrans-88.5-50-177.4-49.40000111.8N65N65-S67 PolarHBondContact O-N 3.37Å; N65-S67 WeakPolarHBondContact OD1-CA 3.34Å; N65-S67 VanDerWaalsContact OD1-CB 3.23Å; N65-S67 WeakPolarHBondContact OD1-CB 3.34Å; N65-S67 PolarHBondContact OD1-N 2.92Å
68T87.6Confident88.9Confident72 Ų7279.8 Ų79.844%0.44239%0.394SS..THydrogen-bonded Turntrans-84.1-16.9177.166.90000113.2N65 E70N65-T68 WeakPolarHBondContact CB-OG1 3.49Å; N65-T68 PolarHBondContact OD1-N 2.98Å; T68-E70 WeakPolarHBondContact CB-OE2 3.44Å; T68-E70 PolarHBondContact O-N 2.66Å; T68-E70 WeakPolarHBondContact OG1-CB 3.41Å; T68-E70 WeakPolarHBondContact OG1-CG 3.03Å; T68-E70 PolarHBondContact OG1-N 2.85Å; T68-E70 PolarHBondContact OG1-OE2 2.7Å
69R86.8Confident88.7Confident147 Ų14776.1 Ų76.156%0.55537%0.372SS*.  trans64.111.2-172.3-53.4179.3177.11701114.5N65N65-R69 WeakPolarHBondContact O-CA 3.27Å; N65-R69 PolarHBondContact O-N 3.35Å
70E88.7Confident88.7Confident106 Ų10671.3 Ų71.350%0.49535%0.35SS..  trans-70.8149.9176.4-66167.3128.700111.7W50 Y64 N65 T68W50-E70 HydrophobicContact CH2-CB 3.98Å; W50-E70 HydrophobicContact CZ3-CB 4.34Å; Y64-E70 WeakPolarHBondContact CA-O 3.27Å; Y64-E70 WeakPolarHBondContact CD2-O 3.15Å; N65-E70 PolarHBondContact N-O 3.2Å; T68-E70 WeakPolarHBondContact CB-OE2 3.44Å; T68-E70 PolarHBondContact O-N 2.66Å; T68-E70 WeakPolarHBondContact OG1-CB 3.41Å; T68-E70 WeakPolarHBondContact OG1-CG 3.03Å; T68-E70 PolarHBondContact OG1-N 2.85Å; T68-E70 PolarHBondContact OG1-OE2 2.7Å
71T92.5Very high88.8Confident83 Ų8366.5 Ų66.551%0.50933%0.333SS..EExtended strand (participates in β ladder)trans-133.4122.5178-44.40000109.1Y62 Y63 Y64Y62-T71 HydrophobicContact CD2-CG2 3.58Å; Y62-T71 HydrophobicContact CE2-CG2 4.1Å; Y62-T71 HydrophobicContact CG-CG2 4.44Å; Y63-T71 WeakPolarHBondContact O-CA 3.26Å; Y64-T71 WeakPolarHBondContact CD2-OG1 3.48Å
72V93.2Very high88.8Confident55 Ų5564.1 Ų64.133%0.33332%0.321SS..EExtended strand (participates in β ladder)trans-129.8146-177.1-62.70000111.9W50 Y63 E74 P76W50-V72 HydrophobicContact CE3-CG2 4.34Å; W50-V72 HydrophobicContact CH2-CG2 4.38Å; W50-V72 HydrophobicContact CZ3-CG2 3.82Å; Y63-V72 PolarHBondContact N-O 3.41Å; Y63-V72 PolarHBondContact O-N 2.77Å; V72-E74 WeakPolarHBondContact CG2-O 3.43Å; V72-P76 HydrophobicContact CG2-CG 4.04Å
73W92.6Very high88.5Confident112 Ų11263.7 Ų63.742%0.42433%0.325SS..SBendtrans-89-9.9179.3-70.1104.2000113.8D55 V58 R60D55-W73 HydrophobicContact CB-CH2 3.95Å; D55-W73 HydrophobicContact CB-CZ3 4.22Å; V58-W73 HydrophobicContact CB-CH2 4.02Å; V58-W73 HydrophobicContact CB-CZ3 4.24Å; V58-W73 HydrophobicContact CG1-CH2 4.23Å; V58-W73 HydrophobicContact CG1-CZ3 4.21Å; V58-W73 HydrophobicContact CG2-CH2 3.86Å; V58-W73 HydrophobicContact CG2-CZ2 4.46Å; R60-W73 HydrophobicContact CB-CE3 4.48Å; R60-W73 HydrophobicContact CB-CZ3 4.22Å; R60-W73 HydrophobicContact CG-CE3 4.25Å; R60-W73 HydrophobicContact CG-CZ3 4.47Å; R60-W73 PolarHBondContact NE-O 3.03Å; R60-W73 PolarHBondContact NH2-O 3.33Å
74E89.9Confident88.3Confident148 Ų14863.3 Ų63.369%0.69232%0.324SS*.SBendtrans-109.6149.4177.9-56.9-161.1149.900109.8Y63 V72 P76Y63-E74 VanDerWaalsContact CD2-O 3.29Å; Y63-E74 WeakPolarHBondContact CD2-O 3.37Å; V72-E74 WeakPolarHBondContact CG2-O 3.43Å; E74-P76 VanDerWaalsContact O-CD 3.28Å; E74-P76 WeakPolarHBondContact O-CD 3.41Å
75K91.9Very high88.1Confident133 Ų13362.3 Ų62.358%0.57832%0.322SS*.  trans-72.8119.1-173.7-169.7175.1-179.6174.30110Y63 V77 I81Y63-K75 HydrophobicContact CD2-CB 4.48Å; Y63-K75 HydrophobicContact CE1-CG 4.06Å; Y63-K75 VanDerWaalsContact CE2-CA 3.48Å; Y63-K75 HydrophobicContact CE2-CB 3.81Å; Y63-K75 HydrophobicContact CE2-CG 4.2Å; K75-V77 PolarHBondContact O-N 3.42Å; K75-I81 HydrophobicContact CD-CD1 4.09Å; K75-I81 HydrophobicContact CG-CD1 3.51Å
76P89.8Confident87.5Confident25 Ų2569.9 Ų69.916%0.16236%0.355CS..  trans-55.3128.6176.4-25.333.9000111W50 Y63 V72 E74W50-P76 HydrophobicContact CD2-CB 4.26Å; W50-P76 HydrophobicContact CD2-CG 3.55Å; W50-P76 HydrophobicContact CE3-CG 3.8Å; W50-P76 HydrophobicContact CG-CB 4.37Å; W50-P76 HydrophobicContact CG-CG 3.87Å; W50-P76 HydrophobicContact CZ2-CG 4.32Å; W50-P76 HydrophobicContact CZ3-CG 4.31Å; Y63-P76 HydrophobicContact CG-CG 4.48Å; V72-P76 HydrophobicContact CG2-CG 4.04Å; E74-P76 VanDerWaalsContact O-CD 3.28Å; E74-P76 WeakPolarHBondContact O-CD 3.41Å
77V80.8Confident87.4Confident130 Ų13070.2 Ų70.279%0.78836%0.356SS*.SBendtrans-65.9-45.3-171.5-1770000111.3K75K75-V77 PolarHBondContact O-N 3.42Å
78D82.6Confident87.4Confident121 Ų12169.6 Ų69.665%0.64735%0.347SS*.SBendtrans-106.712.3-177.5-56-62.8000113.2M1 N48M1-D78 VanDerWaalsContact CE-O 3.26Å; M1-D78 WeakPolarHBondContact CE-O 3.5Å; N48-D78 PolarHBondContact ND2-O 3.16Å
79G80.5Confident86.7Confident3 Ų369.7 Ų69.73%0.03135%0.345CS..  trans-81.1140.3-175.300000114.3I81G79-I81 WeakPolarHBondContact O-CG1 3.41Å; G79-I81 PolarHBondContact O-N 3.15Å; G79-I81 VanDerWaalsContact O-N 3.16Å
80D87.2Confident85.8Confident22 Ų2267.6 Ų67.612%0.11834%0.344CS..EExtended strand (participates in β ladder)trans-80.392.5173.3-178.619.8000110.8F6 K43 N48 Q49 W50F6-D80 WeakPolarHBondContact CZ-OD1 3.47Å; K43-D80 WeakPolarHBondContact CE-OD2 3.12Å; K43-D80 IonicContact NZ-OD1 2.9Å; K43-D80 PolarHBondContact NZ-OD1 3.16Å; K43-D80 IonicContact NZ-OD2 3.5Å; K43-D80 PolarHBondContact NZ-OD2 2.8Å; N48-D80 WeakPolarHBondContact O-CB 3.32Å; N48-D80 PolarHBondContact O-N 2.89Å; Q49-D80 WeakPolarHBondContact CA-O 3.32Å; W50-D80 PolarHBondContact N-O 3.33Å
81I91.3Very high84.6Confident19 Ų1966.7 Ų66.710%0.09734%0.34CS..EExtended strand (participates in β ladder)trans-93.6109.8-165.1-67158.6000112.6F6 W50 E52 Y63 K75 G79F6-I81 WeakPolarHBondContact CE2-O 3.41Å; F6-I81 WeakPolarHBondContact CZ-O 3.28Å; W50-I81 HydrophobicContact CB-CG1 3.85Å; W50-I81 CarbonylContact O-C 3.52Å; W50-I81 WeakPolarHBondContact O-CA 3.45Å; E52-I81 HydrophobicContact CB-CG2 3.82Å; Y63-I81 HydrophobicContact CD1-CD1 4.36Å; Y63-I81 HydrophobicContact CD1-CG1 4.38Å; Y63-I81 HydrophobicContact CD1-CG2 4Å; Y63-I81 HydrophobicContact CE1-CD1 4.4Å; Y63-I81 HydrophobicContact CE1-CG2 3.92Å; K75-I81 HydrophobicContact CD-CD1 4.09Å; K75-I81 HydrophobicContact CG-CD1 3.51Å; G79-I81 WeakPolarHBondContact O-CG1 3.41Å; G79-I81 PolarHBondContact O-N 3.15Å; G79-I81 VanDerWaalsContact O-N 3.16Å
82I90.9Very high83Confident0 Ų068 Ų680%034%0.34CS..EExtended strand (participates in β ladder)trans-80.4119.9173.6-43.2-53.3000109.7F6 V12 L14 L27 Q49 W50 E52 L84F6-I82 HydrophobicContact CE1-CD1 3.69Å; F6-I82 HydrophobicContact CZ-CD1 3.93Å; V12-I82 HydrophobicContact CG1-CD1 3.86Å; V12-I82 HydrophobicContact CG1-CG1 4.25Å; V12-I82 HydrophobicContact CG1-CG2 4.3Å; L14-I82 HydrophobicContact CD2-CG1 4.16Å; L14-I82 HydrophobicContact CD2-CG2 4.36Å; L27-I82 HydrophobicContact CD1-CG2 4.48Å; L27-I82 HydrophobicContact CD2-CG2 3.88Å; Q49-I82 HydrophobicContact CG-CD1 3.92Å; Q49-I82 HydrophobicContact CG-CG1 3.6Å; W50-I82 PolarHBondContact O-N 3.07Å; E52-I82 PolarHBondContact N-O 3.46Å; I82-L84 VanDerWaalsContact C-N 3.3Å; I82-L84 HydrophobicContact CB-CG 4.41Å; I82-L84 HydrophobicContact CG2-CD2 3.71Å; I82-L84 HydrophobicContact CG2-CG 3.94Å; I82-L84 PolarHBondContact O-N 3.07Å
83P90Very high80.8Confident48 Ų4871.8 Ų71.831%0.31236%0.358SS..  trans-82.958.9-170.234-37.4000113.8A85P83-A85 VanDerWaalsContact C-N 3.29Å; P83-A85 PolarHBondContact O-N 2.89Å
84L89.6Confident78.4Confident11 Ų1172.9 Ų72.96%0.05837%0.372CS..THydrogen-bonded Turntrans-68.5-19.9-173.5-62.4-175.5000114.6L14 L27 W51 E52 L53 I82 K86 I87 Q88L14-L84 HydrophobicContact CD1-CD1 4.04Å; L14-L84 HydrophobicContact CD1-CD2 4.29Å; L27-L84 HydrophobicContact CD2-CD2 4.08Å; W51-L84 HydrophobicContact CB-CD1 4.01Å; W51-L84 HydrophobicContact CD2-CD1 3.7Å; W51-L84 HydrophobicContact CE3-CD1 3.63Å; W51-L84 HydrophobicContact CG-CD1 3.86Å; W51-L84 HydrophobicContact CZ3-CD1 4.34Å; E52-L84 CarbonylContact O-C 3.6Å; E52-L84 WeakPolarHBondContact O-CA 3.24Å; E52-L84 PolarHBondContact O-N 3.34Å; L53-L84 HydrophobicContact CD2-CB 3.84Å; L53-L84 HydrophobicContact CD2-CD1 4.48Å; I82-L84 VanDerWaalsContact C-N 3.3Å; I82-L84 HydrophobicContact CB-CG 4.41Å; I82-L84 HydrophobicContact CG2-CD2 3.71Å; I82-L84 HydrophobicContact CG2-CG 3.94Å; I82-L84 PolarHBondContact O-N 3.07Å; L84-K86 PolarHBondContact O-N 2.7Å; L84-K86 VanDerWaalsContact O-N 3.11Å; L84-I87 HydrophobicContact CD2-CD1 4.02Å; L84-I87 WeakPolarHBondContact O-CA 3.46Å; L84-I87 WeakPolarHBondContact O-CB 3.48Å; L84-I87 PolarHBondContact O-N 3.36Å; L84-Q88 PolarHBondContact O-N 3.3Å
85A88.7Confident75.5Confident10 Ų1073.9 Ų73.98%0.08338%0.376CS..Hα-helixtrans-52.6-34.8-178.900000113.8E52 F54 P83 L89E52-A85 HydrophobicContact CG-CB 4.36Å; E52-A85 PolarHBondContact O-N 3.23Å; F54-A85 HydrophobicContact CB-CB 4.25Å; P83-A85 VanDerWaalsContact C-N 3.29Å; P83-A85 PolarHBondContact O-N 2.89Å; A85-L89 WeakPolarHBondContact O-CG 3.39Å; A85-L89 PolarHBondContact O-N 2.62Å; A85-L89 VanDerWaalsContact O-N 3.16Å
86K77.3Confident72.5Confident161 Ų16172.7 Ų72.770%0.738%0.382SS*.Hα-helixtrans-67.4-41.2173.9-70.5-178.6179.8176.30112.3L84 L89 L90L84-K86 PolarHBondContact O-N 2.7Å; L84-K86 VanDerWaalsContact O-N 3.11Å; K86-L89 PolarHBondContact O-N 2.76Å; K86-L90 VanDerWaalsContact O-CG 3.31Å; K86-L90 WeakPolarHBondContact O-CG 3.48Å; K86-L90 PolarHBondContact O-N 2.76Å
87I81.3Confident69.2Low11 Ų1177.9 Ų77.96%0.05642%0.419CS..Hα-helixtrans-70.7-38.9-179.9-55.5175.2000110I25 L27 L84 L89 L90 Q91I25-I87 HydrophobicContact CG2-CD1 3.74Å; L27-I87 HydrophobicContact CD2-CD1 3.82Å; L84-I87 HydrophobicContact CD2-CD1 4.02Å; L84-I87 WeakPolarHBondContact O-CA 3.46Å; L84-I87 WeakPolarHBondContact O-CB 3.48Å; L84-I87 PolarHBondContact O-N 3.36Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.41Å; I87-L90 PolarHBondContact O-N 3.33Å; I87-Q91 HydrophobicContact CG2-CG 4.23Å; I87-Q91 WeakPolarHBondContact O-CB 3.37Å; I87-Q91 WeakPolarHBondContact O-CG 3.47Å; I87-Q91 PolarHBondContact O-N 2.97Å
88Q83Confident66.6Low45 Ų4576.4 Ų76.421%0.2142%0.415CS..Hα-helixtrans-56.5-46.3172.5-174.6-172.1-1000111.7F54 L84 Q92F54-Q88 PolarHBondContact O-NE2 2.67Å; L84-Q88 PolarHBondContact O-N 3.3Å; Q88-Q92 WeakPolarHBondContact O-CG 3.29Å; Q88-Q92 PolarHBondContact O-N 3.23Å; Q88-Q92 VanDerWaalsContact O-N 3.15Å
89L72Confident63.9Low74 Ų7475 Ų7539%0.38741%0.414SS..Hα-helixtrans-68.6-35.6176.1-69.4168000112.6A85 K86 I87 N93A85-L89 WeakPolarHBondContact O-CG 3.39Å; A85-L89 PolarHBondContact O-N 2.62Å; A85-L89 VanDerWaalsContact O-N 3.16Å; K86-L89 PolarHBondContact O-N 2.76Å; I87-L89 VanDerWaalsContact C-N 3.34Å; I87-L89 PolarHBondContact O-N 3.41Å; L89-N93 PolarHBondContact O-ND2 3.26Å
90L67.4Low61.2Low103 Ų10383.4 Ų83.454%0.53946%0.457SS..Hα-helixtrans-67.4-45.5175-74.4166000112.1K86 I87 Q92 N93K86-L90 VanDerWaalsContact O-CG 3.31Å; K86-L90 WeakPolarHBondContact O-CG 3.48Å; K86-L90 PolarHBondContact O-N 2.76Å; I87-L90 PolarHBondContact O-N 3.33Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.14Å; L90-N93 PolarHBondContact O-N 3.16Å; L90-N93 VanDerWaalsContact O-N 3.08Å
91Q65.1Low58.3Low87 Ų8789 Ų8941%0.40749%0.485SS..Hα-helixtrans-68.4-30.8-179.5-71-175.7-0.500112.7G30 I87 N93 L94G30-Q91 PolarHBondContact O-NE2 3.13Å; I87-Q91 HydrophobicContact CG2-CG 4.23Å; I87-Q91 WeakPolarHBondContact O-CB 3.37Å; I87-Q91 WeakPolarHBondContact O-CG 3.47Å; I87-Q91 PolarHBondContact O-N 2.97Å; Q91-N93 PolarHBondContact O-N 3.3Å; Q91-L94 PolarHBondContact O-N 2.8Å
92Q58Low55.3Low109 Ų10997.2 Ų97.251%0.50952%0.523SS..Hα-helixtrans-60.9-25.9170.4-78.5176.5-300113.3Q88 L90Q88-Q92 WeakPolarHBondContact O-CG 3.29Å; Q88-Q92 PolarHBondContact O-N 3.23Å; Q88-Q92 VanDerWaalsContact O-N 3.15Å; L90-Q92 VanDerWaalsContact C-N 3.34Å; L90-Q92 PolarHBondContact O-N 3.14Å
93N46.7Very low52.1Low135 Ų135106.9 Ų106.972%0.72257%0.565SS**THydrogen-bonded Turntrans-88.3-2.5175.7-73.5-80.6000113.7L89 L90 Q91L89-N93 PolarHBondContact O-ND2 3.26Å; L90-N93 PolarHBondContact O-N 3.16Å; L90-N93 VanDerWaalsContact O-N 3.08Å; Q91-N93 PolarHBondContact O-N 3.3Å
94L42.3Very low49.2Very low136 Ų136110.1 Ų110.171%0.71259%0.589SS**THydrogen-bonded Turntrans-112.3-8.4-173.6-77.3166.9000114.8Q91 P96Q91-L94 PolarHBondContact O-N 2.8Å; L94-P96 WeakPolarHBondContact O-CD 3.39Å
95Q30.3Very low46.2Very low169 Ų169117.3 Ų117.379%0.7963%0.627SS**  trans-83.5118.2171.7-69.4-158.6-11.600111.3
96P26.9Very low43Very low108 Ų108125.8 Ų125.870%0.70167%0.667SS**  trans-67.8145.5165.230.9-34.1000109.7L94 S98L94-P96 WeakPolarHBondContact O-CD 3.39Å; P96-S98 PolarHBondContact O-N 3.3Å
97S22.2Very low40.7Very low133 Ų133121.6 Ų121.693%0.9367%0.67SS**  trans-70.592.9-175.356.80000112.5
98S25.8Very low38.2Very low100 Ų100127.1 Ų127.170%0.69970%0.704SS**  trans-148.3133.4170.354.20000110.5P96P96-S98 PolarHBondContact O-N 3.3Å
99S25.9Very low35.5Very low90 Ų90133 Ų13363%0.62974%0.736SS**  cis-162.8142.6-4.448.80000110.9I101S99-I101 VanDerWaalsContact C-N 3.3Å; S99-I101 PolarHBondContact O-N 3.01Å
100I24.4Very low33.2Very low181 Ų181139.7 Ų139.793%0.92876%0.756SS**  trans-7685.9162.8-58.9174.2000108
101I25.1Very low31.2Very low138 Ų138145.1 Ų145.171%0.70877%0.769SS**  trans-141.9110.5163-56.5-178.9000107.6S99S99-I101 VanDerWaalsContact C-N 3.3Å; S99-I101 PolarHBondContact O-N 3.01Å
102Q28.4Very low29.4Very low192 Ų192145.5 Ų145.590%0.89778%0.782SS**  trans-100.4154154.1-79.8-165.6-7.900109.3
103K24.5Very low27.8Very low204 Ų204146.8 Ų146.889%0.88779%0.792SS**  trans-71140.9-160.7-56.4169.8-179.8177.30113.6
104S28Very low26.8Very low116 Ų116146.9 Ų146.981%0.81179%0.793SS**  trans-142.1152136.358.40000108.6
105D26.8Very low26.1Very low162 Ų162148.2 Ų148.287%0.86680%0.801SS**  trans-75.4173.5-149.8-71.1-79000119.4
106M22.7Very low25.7Very low187 Ų187147.7 Ų147.792%0.92180%0.803SS**  trans-78.6140.3-173.2-73.5-111.1-6800114.8
107G26.9Very low25.8Very low74 Ų74150.8 Ų150.876%0.76381%0.812SS**  trans-125.478.4173.100000114.2
108V29.3Very low25.9Very low127 Ų127150.6 Ų150.677%0.7780%0.801SS**  trans49.9102.5150-175.60000118.7
109L26.3Very low25.8Very low168 Ų168152 Ų15288%0.8880%0.799SS**  -163.8121.7103.8-110.1133.1000112.2
110R23.5Very low25.8Very low214 Ų214153.6 Ų153.681%0.80880%0.8SS**  trans-79.6171.3158.1-78175.6157.1174.3-6107.8
111R25.4Very low25.7Very low217 Ų217155.3 Ų155.382%0.81980%0.797SS**  cis-170.7162.832.6-152.9170.7-170.3171.80.3112.4
112S28.2Very low25.7Very low96 Ų96157.5 Ų157.567%0.67180%0.804SS**  trans88.989.6141.4-145.70000120.4
113N24.7Very low25.5Very low135 Ų135156.7 Ų156.772%0.72280%0.8SS**  42.9136.9114.3-67.434.7000122.5
114N24.2Very low25.6Very low138 Ų138153.1 Ų153.174%0.73879%0.787SS**  trans68.5103.4145.3-62.215.3000118.5
115N27.7Very low25.7Very low164 Ų164156.5 Ų156.588%0.87778%0.782SS**  -148155.597.5-97.1-28.5000111.2
116N23.8Very low25.8Very low157 Ų157155.4 Ų155.484%0.8478%0.775SS**  trans-74.2143.3166.5-68.2-27.6000109.4
117I27Very low26Very low173 Ų173150.5 Ų150.589%0.88776%0.759SS**  -167.1156.7126.6-100155.9000108.8
118N24.8Very low26.1Very low130 Ų130153.1 Ų153.170%0.69576%0.76SS**  trans-102.9174.7-169.1-139.72.4000111.1
119I25.2Very low26.2Very low130 Ų130151.6 Ų151.667%0.66776%0.756SS**  trans18.8129.9130.1-68.4173.4000116.1
120D24.4Very low26.3Very low122 Ų122150.6 Ų150.665%0.65275%0.75SS**  cis-166.4-165.10-126.2-42.3000110.7
121Y23.7Very low26.6Very low218 Ų218146.7 Ų146.786%0.85575%0.746SS**  trans-18.8126.5157.3-72.4-103.5000117.1
122Q24Very low26.8Very low184 Ų184145.2 Ų145.286%0.8675%0.748SS**  trans-152.2119.9150.7-78.3-155.8-18.200114.1
123E25Very low26.7Very low175 Ų175152 Ų15282%0.81876%0.759SS**  -123.4151.9118.8-73.7-162.1111.600105.5
124E26.4Very low26.9Very low129 Ų129155.7 Ų155.760%0.60377%0.768SS**  cis-130.3144.822.2-75.3-167.587.900114.5
125R30.2Very low26.9Very low186 Ų186155.1 Ų155.170%0.70277%0.774SS**  54.6144.6129.3-58.8-177.4177.1154.7-6.1121
126L27.9Very low27Very low139 Ų139153.5 Ų153.573%0.72877%0.77SS**  cis-160.9127.6-3.3-112.9166.8000112.7
127S27.2Very low27.3Very low84 Ų84152.5 Ų152.559%0.58777%0.765SS**  trans50.1126.5137.765.70000125.4
128T30Very low27.2Very low129 Ų129147.8 Ų147.879%0.79175%0.747SS**  trans70.7146.8131.654.10000121.9
129S30.6Very low27.3Very low96 Ų96150 Ų15067%0.67175%0.751SS**  cis-175.6158.9-11.8530000115.7
130L29.5Very low27.3Very low147 Ų147150.6 Ų150.677%0.7775%0.754SS**  trans84.6115.3142.4-107.778.5000124.3
131N28.2Very low27.6Very low132 Ų132150.6 Ų150.671%0.70676%0.759SS**  trans58116.6130.6-68.7-8.8000125
132Q30.2Very low27.9Very low186 Ų186144.2 Ų144.287%0.86975%0.751SS**  168.5112.3111.9-90.8174.371.100110.9
133R26.5Very low28.2Very low237 Ų237142.9 Ų142.989%0.89475%0.745SS**  64101.281.4-81.5-167.3176.1-178.40.4117.9
134K29.4Very low28.5Very low213 Ų213141.2 Ų141.293%0.92674%0.74SS**  -173.2160.3127.9-105169.4-177.5178.30111.8
135C24.2Very low28.8Very low126 Ų126139.5 Ų139.585%0.85174%0.74SS**  trans-146.1145.3-169.6-52.60000114.1
136T29.3Very low28.7Very low130 Ų130136.9 Ų136.980%0.79874%0.74SS**  trans-170.3160169.742.90000106.7
137N29.2Very low28.6Very low137 Ų137140.2 Ų140.273%0.73374%0.744SS**  cis-163.5154-12.8-98.517.9000104.8
138S25.1Very low28.5Very low74 Ų74140.6 Ų140.652%0.51775%0.747SS.*  cis73.3114.734.579.80000113.7
139F27.8Very low28.4Very low175 Ų175142.8 Ų142.877%0.76875%0.746SS**  -156.1147.750.9-95-95.5000111.3
140I25.1Very low28.1Very low143 Ų143144 Ų14473%0.73375%0.745SS**  55.513999.4-58.2-163.8000114.2
141T29.9Very low28.1Very low123 Ų123144.2 Ų144.276%0.75575%0.747SS**  cis-100.7-164.420.560.20000113.7
142A30.8Very low27.8Very low84 Ų84146 Ų14669%0.69475%0.753SS**  cis-161.1169.8-1.900000109.4
143E28.7Very low27.4Very low156 Ų156144.1 Ų144.173%0.72975%0.754SS**  cis-158.1128.7-34.6-115.7-171.9175.100109
144I31.6Very low27.3Very low140 Ų140138 Ų13872%0.71874%0.742SS**  65.7137.4129.7-76.2174000121
145P33.7Very low27.1Very low93 Ų93135.3 Ų135.360%0.60473%0.734SS**  cis-146.1-168.3-16.942.1-21.4000117.5
146D28.1Very low27Very low131 Ų131138.3 Ų138.370%0.70174%0.735SS**  trans76103.1154.8-58.7-27.2000120.6
147Y25.4Very low26.8Very low208 Ų208137 Ų13782%0.81673%0.727SS**  79.1106.753.9-74.1-62.3000113.5
148S25.6Very low26.5Very low93 Ų93138 Ų13865%0.6573%0.732SS**  133.4178.479.459.20000108.9
149F27.4Very low26.6Very low174 Ų174142.1 Ų142.176%0.76375%0.746SS**  cis-142.3163.111.5-137.6-77.4000112.4
150N24.7Very low26.6Very low122 Ų122138 Ų13865%0.65274%0.74SS**  trans-69.7165.1178.5-44.5-79.8000113.8
151N28.5Very low26.7Very low152 Ų152137.9 Ų137.981%0.81374%0.74SS**  -166.5150.1101.2-97.5-29.2000114.8
152M22Very low26.5Very low169 Ų169138.6 Ų138.683%0.83374%0.74SS**  trans-98.7174.8177-68.4-177.1-73.600111.6
153V23.2Very low26.4Very low147 Ų147142.9 Ų142.989%0.89174%0.743SS**  trans-53.8138.2166.1175.40000110.8
154V24.6Very low26.3Very low107 Ų107142 Ų14265%0.64874%0.742SS**  trans-123.5120.2171.9175.40000109.8
155Q24.1Very low26.2Very low158 Ų158141.1 Ų141.174%0.73874%0.739SS**  trans58.5111.7156.1-68.2165.1-13.200119.9V157Q155-V157 HydrophobicContact CB-CG2 4.21Å
156Q21.6Very low25.9Very low188 Ų188143.7 Ų143.788%0.87974%0.742SS**  -65147.2122-73.1177.9-67.300109.1
157V25.2Very low25.9Very low104 Ų104146.2 Ų146.263%0.6374%0.744SS**  trans-115.9124.2162.3174.90000108.1Q155 I159Q155-V157 HydrophobicContact CB-CG2 4.21Å; V157-I159 HydrophobicContact CG1-CG1 4.18Å
158N22.6Very low26.2Very low156 Ų156140.9 Ų140.983%0.83473%0.734SS**  trans-92.9122166.8-98.4-16.3000109
159I28.8Very low26.3Very low161 Ų161143.4 Ų143.483%0.82674%0.737SS**  trans-130.3143156-65.4-176.6000107.2V157V157-I159 HydrophobicContact CG1-CG1 4.18Å
160S26.7Very low26.5Very low90 Ų90140.6 Ų140.663%0.62974%0.737SS**  trans-110.1155.9-156.453.70000114.4
161N26.5Very low26.6Very low139 Ų139141.9 Ų141.974%0.74374%0.742SS**  trans63.1131.4157.7-54-18.8000116
162N26.9Very low26.4Very low138 Ų138139.1 Ų139.174%0.73874%0.735SS**  -170.7159.752.2-127.8-39.1000113.5
163K28.7Very low26.7Very low175 Ų175137.1 Ų137.176%0.76173%0.732SS**  trans72.7130.1150.3-76.9-176.1177.3-176.80123.1
164L26.9Very low26.8Very low138 Ų138137 Ų13772%0.72373%0.727SS**  trans85.9117.8144.2-9475.1000121.9
165N28.9Very low27.2Very low120 Ų120138.9 Ų138.964%0.64273%0.733SS**  trans77.396.3134.4-65.97.3000122.3
166H28.1Very low27.4Very low147 Ų147136.6 Ų136.668%0.68173%0.726SS**  100.2142109.2-87.3-4000122.1
167Y27.6Very low27.9Very low185 Ų185136.1 Ų136.173%0.72572%0.723SS**  trans60.4106.2161.5-67.1-62.9000121.6
168P31.6Very low28.3Very low95 Ų95137.2 Ų137.262%0.61773%0.725SS**  trans-82.9162.8139.637.5-33000111.1
169M28Very low28.6Very low146 Ų146138.1 Ų138.172%0.71972%0.724SS**  trans173.5143.9140.7-96.8-53.1-74.300111.1I171M169-I171 HydrophobicContact CE-CD1 3.89Å; M169-I171 HydrophobicContact CE-CG1 3.74Å
170P32.2Very low28.4Very low115 Ų115135.6 Ų135.675%0.74772%0.721SS**  trans-102.2117.4160.633.9-25.3000111.3
171I25.6Very low28.5Very low149 Ų149136.3 Ų136.376%0.76473%0.733SS**  trans-140.2149.7168-63.9-173.8000109.2M169M169-I171 HydrophobicContact CE-CD1 3.89Å; M169-I171 HydrophobicContact CE-CG1 3.74Å
172S25.3Very low28.5Very low94 Ų94134.1 Ų134.166%0.65773%0.734SS**  trans-93.1150.2-176.954.50000114.9
173T28.3Very low28.6Very low128 Ų128135 Ų13579%0.78574%0.737SS**  trans58.9113.7144.352.80000121.6
174N25.5Very low28.4Very low145 Ų145132.7 Ų132.778%0.77573%0.733SS**  trans-151.4154.8135.6-107.7-27.7000106.5
175N31.3Very low28.4Very low146 Ų146133.6 Ų133.678%0.78173%0.733SS**  cis-13917119.3-97.5-42.4000112.7
176N29.3Very low28.3Very low109 Ų109133.2 Ų133.258%0.58374%0.736SS**  trans-75.7164176.6-80.6-85.2000114.8
177H32.5Very low28.2Very low178 Ų178133.6 Ų133.682%0.82474%0.74SS**  trans-128.2161.7144.5-108.441.2000111
178N31.9Very low28.3Very low127 Ų127130.9 Ų130.968%0.67974%0.737SS**  trans-80.8173.3-170.3-55.8-27.6000110.9
179H30.7Very low28Very low175 Ų175131.2 Ų131.281%0.8174%0.742SS**  cis-145.4-178.225.8-105.5-76000113.1
180S24.1Very low28.1Very low108 Ų108130.8 Ų130.876%0.75574%0.741SS**  trans-133.2-178.1173.157.90000110.6
181A29.3Very low28Very low106 Ų106133.8 Ų133.888%0.87675%0.745SS**  trans87.8154.6171.700000117.9
182A25.1Very low27.8Very low93 Ų93132.1 Ų132.177%0.76975%0.747SS**  trans-112.9-157.1-16700000111.7
183I28.7Very low28.6Very low156 Ų156133.2 Ų133.280%0.875%0.751SS**  trans109119.3164.8-59.2168.5000115.8
184N26.2Very low28.6Very low127 Ų127135 Ų13568%0.67976%0.755SS**  trans30.9123149.2-62.429.6000123.3
185E25.4Very low28.7Very low157 Ų157132 Ų13273%0.73475%0.746SS**  65113.4118.2-61.8-167.9123.300123.3
186T26.8Very low28.4Very low112 Ų112132 Ų13269%0.68775%0.745SS**  90.7149.5123.265.90000122.2
187M26.7Very low28.2Very low155 Ų155134 Ų13476%0.76476%0.755SS**  trans71.6140.3165.4-57.7-65.9168.300116.1
188N29.6Very low28Very low127 Ų127130.7 Ų130.768%0.67975%0.752SS**  cis-155.6142.83.8-135.4-25.9000114.5
189S26Very low27.6Very low103 Ų103135 Ų13572%0.7276%0.759SS**  trans62.6160161.174.30000117.5
190I30.1Very low27.8Very low137 Ų137131.3 Ų131.370%0.70375%0.75SS**  cis-133.3145.520.8-71.9175.9000112.4
191H29.1Very low27.8Very low177 Ų177131.9 Ų131.982%0.81975%0.749SS**  trans62.8135.7170.9-75.5-56.4000120.4
192S22.7Very low27.7Very low115 Ų115132.8 Ų132.880%0.80474%0.744SS**  trans-161.1-149.6176.3-69.80000108.6
193P42.2Very low27.6Very low116 Ų116135.4 Ų135.475%0.75374%0.743SS**  -122.9-177-109.440.1-22.5000114.4
194L28.3Very low27.4Very low166 Ų166133.1 Ų133.187%0.86974%0.737SS**  trans-174.3159.3156.4-88.2138.5000107.7
195S25.8Very low27.3Very low82 Ų82134 Ų13457%0.57374%0.741SS**  cis-176.7149.4-27.258.40000113.2
196L26.9Very low27.4Very low147 Ų147133.7 Ų133.777%0.7774%0.743SS**  trans69.5129.7143.9-66.9161.5000123.5
197L24.1Very low27.9Very low151 Ų151133 Ų13379%0.79174%0.741SS**  79.1148.7129.5-76.3170.7000125.3
198S29.4Very low27.9Very low108 Ų108132.5 Ų132.576%0.75574%0.741SS**  trans90.2116.4145.5-67.40000123.6
199R21.8Very low27.8Very low217 Ų217132.1 Ų132.182%0.81974%0.744SS**  trans-69.3-176.7146.2-115.8-178.4174.1-176-3.2109.6
200P36.3Very low27.8Very low97 Ų97130.7 Ų130.763%0.6373%0.733SS**  cis-146.4170.216.441.6-20.9000119.4
201T23.1Very low27.6Very low121 Ų121128.3 Ų128.374%0.74272%0.722SS**  trans60.9169.3140.450.80000123.9
202V26.6Very low27.5Very low125 Ų125123.9 Ų123.976%0.75871%0.708SS**  trans75.5119170.3-171.50000112.3
203I23.6Very low27.7Very low147 Ų147122.6 Ų122.675%0.75469%0.692SS**  cis144.9173.412.9-95.9164.4000104.4
204T24.8Very low26.9Very low109 Ų109123.1 Ų123.167%0.66968%0.684SS**  trans-49.2162.2-171.757.10000115.8
205D23.2Very low26.9Very low144 Ų144120.6 Ų120.677%0.7768%0.675SS**  -167.9-176.254-109.6-55.3000116.3
206I27.8Very low26.9Very low152 Ų152120.8 Ų120.878%0.77968%0.676SS**  trans-122.1-178.6170.3-3.4176.9000108.1
207P38Very low27.1Very low97 Ų97120 Ų12063%0.6367%0.672SS**  cis-135.7179.4-22.540-21.2000115.9
208N26.9Very low27.2Very low144 Ų144118.8 Ų118.877%0.7767%0.666SS**  trans41.9134.6147.4-56-22.5000124.1
209T26.8Very low27.1Very low120 Ų120119.6 Ų119.674%0.73666%0.662SS**  163138.4100.541.70000117.4
210S26.6Very low27.5Very low72 Ų72115.4 Ų115.450%0.50365%0.651SS.*  trans69167.114980.90000118.5S747 L748S210-S747 CarbonylContact O-C 3.34Å; S210-S747 VanDerWaalsContact O-C 3.27Å; S210-S747 VanDerWaalsContact O-CA 3.23Å; S210-S747 WeakPolarHBondContact O-CA 3.3Å; S210-L748 CarbonylContact C-O 3.59Å; S210-L748 VanDerWaalsContact O-O 3.12Å
211N25.5Very low27Very low88 Ų88118.7 Ų118.747%0.47165%0.651SS.*  cis-167130.711.6-149.39.9000115.2L748 S749N211-L748 VanDerWaalsContact N-C 3.28Å; N211-L748 PolarHBondContact N-O 3.29Å; N211-L748 CarbonylContact O-C 3.58Å; N211-L748 WeakPolarHBondContact O-CA 3.38Å; N211-S749 PolarHBondContact O-N 3.06Å
212T27.1Very low27.1Very low84 Ų84119.1 Ų119.152%0.51565%0.653SS.*  trans59.6157.116153.60000119.2S749T212-S749 VanDerWaalsContact CA-OG 3.24Å; T212-S749 WeakPolarHBondContact CA-OG 3.01Å; T212-S749 PolarHBondContact N-OG 2.99Å; T212-S749 WeakPolarHBondContact O-CB 3.46Å; T212-S749 PolarHBondContact O-N 2.97Å; T212-S749 PolarHBondContact O-OG 3.47Å
213N26.7Very low27Very low87 Ų87123.9 Ų123.947%0.46566%0.658SS.*  cis-154.1-180-24.5-159.8-4.9000110.2S749 R750N213-S749 PolarHBondContact N-OG 3.28Å; N213-R750 PolarHBondContact OD1-NH1 3.05Å; N213-R750 VanDerWaalsContact OD1-NH1 3.08Å
214H26.6Very low27.1Very low128 Ų128124.5 Ų124.559%0.59366%0.662SS**  trans62.5149.7163.9-70.8-63.5000120.1
215V27.6Very low27Very low113 Ų113131.3 Ų131.369%0.68568%0.676SS**  cis-153.4148-22.278.40000113.5
216S25.1Very low26.9Very low85 Ų85131.8 Ų131.859%0.59468%0.678SS**  trans65.9145.8151.8-103.60000126
217I30.9Very low26.8Very low132 Ų132135.9 Ų135.968%0.67768%0.683SS**  trans72.986.5149.2-63.3160.6000118.3
218D27.2Very low26.3Very low124 Ų124137.7 Ų137.766%0.66369%0.688SS**  57.5128.9118.3-62.8-57.3000123.3
219N26.4Very low26.2Very low126 Ų126135.3 Ų135.367%0.67469%0.688SS**  47.5134.1128.3-55.8-45.1000120.4
220Q30.4Very low26.2Very low129 Ų129135.8 Ų135.860%0.60369%0.691SS**  cis-144135.732.9-167.889.1-7.800113
221R26.6Very low26.4Very low166 Ų166136.5 Ų136.563%0.62670%0.701SS**  trans-25.9143.5165.8-79.3177.7166.4140.4-6.6119.4S1428R221-S1428 PolarHBondContact NH1-OG 3.22Å
222V24.9Very low26.6Very low130 Ų130138.4 Ų138.479%0.78872%0.716SS**  55.388.3129.8-1720000116.7
223R23.6Very low26.7Very low225 Ų225140.5 Ų140.585%0.84973%0.729SS**  -121.4175.3125.3-71.2-173.2179.1151.51.3108.5
224D25.8Very low26.7Very low159 Ų159142 Ų14285%0.8574%0.742SS**  trans68.158.8167.3-50.7-22.5000117.6
225W22.7Very low26.9Very low252 Ų252141.9 Ų141.996%0.95575%0.745SS**  trans-123.658141.2-163.565.4000111.1
226L22Very low26.9Very low154 Ų154143.6 Ų143.681%0.80675%0.746SS**SBendtrans-156.855.6169-128.8177.8000114.4
227R26.3Very low27Very low238 Ų238145.5 Ų145.590%0.89875%0.747SS**  trans-176.8120.7145.1-110.3169-68-161.83.4111.6
228D26.7Very low26.9Very low135 Ų135147.2 Ų147.272%0.72275%0.749SS**  trans-147.7107.5146.4-167.99.5000108.4H757D228-H757 IonicContact OD2-CE1 3.54Å; D228-H757 PolarHBondContact OD2-CE1 2.9Å
229A24.1Very low26.8Very low94 Ų94145.8 Ų145.878%0.77775%0.749SS**  trans177.953.1176.400000111
230V27.1Very low26.9Very low131 Ų131145.7 Ų145.779%0.79475%0.753SS**  trans-137.7106.4176.1-179.30000111.7
231A30.6Very low26.7Very low87 Ų87145.3 Ų145.372%0.71976%0.759SS**  trans-167.8136.9160.800000107.9
232T30.1Very low26.9Very low128 Ų128144.6 Ų144.679%0.78577%0.766SS**  cis-157.71793-4.10000111.6
233T28.3Very low27.1Very low128 Ų128144.3 Ų144.379%0.78576%0.76SS**  trans83129.8177.1730000114.9
234T28.3Very low27.4Very low119 Ų119139.7 Ų139.773%0.7375%0.753SS**  cis-162.6145.5-10.812.60000105.2
235N29.1Very low27.5Very low125 Ų125138.8 Ų138.867%0.66875%0.748SS**  cis-15816838.7-99.4-18.4000111.9
236E28.2Very low27.8Very low149 Ų149133.6 Ų133.670%0.69674%0.744SS**  trans26.6146.2136.9-52.9-177132.300121.9
237M27.8Very low28.2Very low125 Ų125132.4 Ų132.462%0.61674%0.743SS**  cis-169149.2-9.5-109.9-164.7-153.200109.7
238K29Very low28.3Very low168 Ų168129.3 Ų129.373%0.7374%0.742SS**  trans65.2121.7147.3-69.2169.3-177.9163.10118.4
239S25.1Very low28.4Very low93 Ų93126.4 Ų126.465%0.6574%0.737SS**  61.5131.272.278.70000113.7
240T28.2Very low28.5Very low125 Ų125128.1 Ų128.177%0.76774%0.738SS**  cis-166143.915.910000112.1
241V26.3Very low28.5Very low121 Ų121127.3 Ų127.373%0.73373%0.734SS**  trans18.2132.4142.9-162.10000120.3
242I30.2Very low28.3Very low150 Ų150129.5 Ų129.577%0.76974%0.738SS**  174.9118.4120.3-86.7166.3000113.4
243N29.5Very low28.3Very low125 Ų125127 Ų12767%0.66873%0.73SS**  trans37.9122.5144.1-56.7-1.3000125.7
244N29.1Very low28.3Very low128 Ų128127.6 Ų127.668%0.68473%0.729SS**  77117.7119.2-613.6000124.3
245N28.3Very low28.4Very low139 Ų139127.6 Ų127.674%0.74373%0.725SS**  94.1145.9124-74.55.7000123.9
246T30Very low28.6Very low143 Ų143128.4 Ų128.488%0.87773%0.729SS**  trans80.7157.1155.427.60000120.1
247V30.8Very low28.8Very low130 Ų130128.1 Ų128.179%0.78873%0.731SS**  trans-129.9143.8-159172.70000109.4
248I28.3Very low28.9Very low172 Ų172128.9 Ų128.988%0.88274%0.737SS**  trans-178.5160.7141.8-94.7152.9000108.4
249A27.2Very low28.9Very low75 Ų75128.5 Ų128.562%0.6274%0.738SS**  trans-133.8-175.1-166.400000114
250T26.4Very low29.2Very low130 Ų130132.3 Ų132.380%0.79874%0.743SS**  trans76.6144.8168.9740000116.6
251T26.9Very low29.6Very low114 Ų114132.9 Ų132.970%0.69974%0.74SS**  cis-160.8161-6.46.60000113.2
252T27.7Very low30.2Very low132 Ų132134.2 Ų134.281%0.8174%0.741SS**  trans63153.6148.551.20000122
253A29.3Very low30.3Very low75 Ų75132.9 Ų132.962%0.6274%0.736SS**  cis-176.6144.2-29.200000112.6
254N28.4Very low30.4Very low141 Ų141133.1 Ų133.175%0.75474%0.737SS**  trans59.5151.3148.4-62.51.2000121
255N31.3Very low30.6Very low120 Ų120131 Ų13164%0.64273%0.733SS**  cis-165.1132-7.2-100.6-12.4000113.5
256N32.6Very low30.8Very low141 Ų141131 Ų13175%0.75473%0.732SS**  trans64.2-179.6153.7-43.8-31.9000119.1
257I32.4Very low30.9Very low144 Ų144129.2 Ų129.274%0.73872%0.722SS**  cis-161.31674.7-149.2171000114.5
258N30.5Very low30.9Very low141 Ų141132.3 Ų132.375%0.75473%0.725SS**  trans78.5159.3158.7-81.415000125
259E28Very low31Very low160 Ų160133.7 Ų133.775%0.74872%0.724SS**  trans-115179.7-161.8-45.2161.294.300114.8
260F32.7Very low31.3Very low172 Ų172136.6 Ų136.675%0.75474%0.737SS**  180149.5110.8-117.7-76.5000118.7
261I35.6Very low31.5Very low138 Ų138133.9 Ų133.971%0.70873%0.734SS**  trans55167.9166.254.4172.5000116.9
262I40Very low31.7Very low148 Ų148134 Ų13476%0.75974%0.739SS**  cis-130.2132.910-77.6-178.6000106.8
263D31.1Very low31.7Very low122 Ų122135.3 Ų135.365%0.65274%0.74SS**  cis82.7130.228.5-148.767.4000114.4
264N31.4Very low31.7Very low130 Ų130136.6 Ų136.670%0.69575%0.745SS**  cis-148.8177-2.1-134.2-49.2000105.5
265S33.4Very low31.7Very low85 Ų85136.7 Ų136.759%0.59475%0.745SS**  cis-156.4-1544.551.40000106.1
266N32.2Very low32Very low137 Ų137141.6 Ų141.673%0.73376%0.755SS**  cis-165.6169.60.4-131.9-54.6000105.3
267T33.4Very low32.3Very low106 Ų106140.2 Ų140.265%0.6575%0.753SS**  cis-139.2-176.94.976.90000110.3K269T267-K269 PolarHBondContact O-N 2.67Å
268K30.7Very low32.2Very low196 Ų196141.2 Ų141.285%0.85276%0.758SS**SBendtrans39.850156.1-69-170.4175.8179.30118.7
269K30.7Very low32.1Very low200 Ų200145.4 Ų145.487%0.8776%0.764SS**  trans46.6100.5138.9-60-174.5176.8-174.20116.7T267T267-K269 PolarHBondContact O-N 2.67Å
270P33.3Very low32.1Very low136 Ų136149 Ų14988%0.88377%0.77SS**  -113.2170.8101.333.8-35.9000112.5
271G30.3Very low32Very low73 Ų73149.5 Ų149.575%0.75378%0.775SS**  trans-171.2151.4177.300000111.7
272C31Very low31.8Very low118 Ų118149 Ų14980%0.79777%0.773SS**  trans-140157.8-166.2-60.40000113.4
273L27.7Very low31.4Very low158 Ų158149.3 Ų149.383%0.82778%0.775SS**  trans56.6119.6152.1-67.9166.1000120.8
274S30.1Very low31.4Very low103 Ų103151.4 Ų151.472%0.7278%0.781SS**  trans55.6139.714547.10000120.3
275D28.1Very low31.3Very low142 Ų142150.9 Ų150.976%0.75979%0.788SS**  cis-153-164.215.1-133.9-51000114.2
276R36.9Very low31Very low224 Ų224151.7 Ų151.785%0.84579%0.793SS**  trans-60.8176.2-179-65.1171.2-178.1-160.70.7115.3
277P38.3Very low31Very low112 Ų112153.6 Ų153.673%0.72780%0.798SS**  cis-150.3172.820.744-22.2000121.6
278I31.8Very low30.5Very low164 Ų164155.1 Ų155.184%0.84180%0.801SS**  trans37.6135.1144.5-60.5170000122.5
279R28.1Very low30.2Very low230 Ų230153.9 Ų153.987%0.86880%0.798SS**  trans-136.7148.6148.2-149.9-178.3-147.1171.38.5111.1
280R26.9Very low30Very low234 Ų234147.6 Ų147.688%0.88379%0.79SS**  trans-129.7161.8165-93.3-170174.1-169.1-0.9109.2
281H32Very low29.6Very low183 Ų183148.7 Ų148.785%0.84779%0.788SS**  trans-95.2176.7170.8-99-100.8000112.4
282N31.1Very low29.3Very low128 Ų128152.2 Ų152.268%0.68479%0.788SS**  trans-143.3158.3-147.8-164.521.5000113.3
283I31.5Very low29Very low154 Ų154155.2 Ų155.279%0.7979%0.79SS**  trans171.9116.2162.7-88.7146.7000104
284Q29.9Very low28.9Very low166 Ų166156.6 Ų156.678%0.77679%0.79SS**  73.6140.854.3-67.3-166.9-29.400114.3
285S29.3Very low29Very low120 Ų120157.4 Ų157.484%0.83979%0.792SS**  cis-144.8-147.711.951.60000114.3
286S28.8Very low28.8Very low101 Ų101154.2 Ų154.271%0.70679%0.786SS**  trans-155.5177-152.258.70000116.9
287Q30.9Very low28.6Very low178 Ų178148.8 Ų148.883%0.83278%0.78SS**  trans85.7155.6167.9-65.9-175.5-13.400117.7
288L23.1Very low27.9Very low137 Ų137147.7 Ų147.772%0.71778%0.775SS**  cis-168.2172.9-29.5-118.1172.4000110.5
289Q24.4Very low27.5Very low170 Ų170148.1 Ų148.179%0.79477%0.773SS**  trans78.9141.2158.7-121.5804.600122.3
290G27.5Very low27.3Very low68 Ų68143 Ų14370%0.70176%0.763SS**  trans91.2126.6164.400000115.6
291L23.1Very low27.2Very low159 Ų159140 Ų14083%0.83276%0.759SS**  cis107.6115.425-86.2173.3000113.2
292I25.3Very low26.7Very low148 Ų148140.4 Ų140.476%0.75976%0.759SS**  trans66.7119.1161.6-53.8164.6000113
293E25.2Very low27.1Very low180 Ų180138.9 Ų138.984%0.84176%0.756SS**  -151.1174.560.6-155157.6-139.400114.1
294F25.1Very low26.7Very low188 Ų188138.8 Ų138.883%0.82576%0.757SS**  trans-104.5173.7178.4-100.8-108.7000110
295P30.8Very low26.5Very low119 Ų119138 Ų13877%0.77376%0.757SS**  cis-134174.316.143.3-26.9000117.4
296A25.2Very low26.2Very low75 Ų75139.5 Ų139.562%0.6275%0.751SS**  trans-82-150.5155.800000108.7
297P31.6Very low25.9Very low110 Ų110143.1 Ų143.171%0.71475%0.754SS**  cis-136-170.51334.4-9.9000114.9
298S23.7Very low25.6Very low89 Ų89143.7 Ų143.762%0.62275%0.754SS**  trans63.2148.114061.10000119.8
299E25Very low25.7Very low173 Ų173142 Ų14281%0.80875%0.754SS**  cis-163.7163.2-8.9-118160.9-161.800108.8
300D22.4Very low25.7Very low122 Ų122138.8 Ų138.865%0.65275%0.746SS**  trans42.4143.4142-83.630.4000126
301Q25.5Very low25.7Very low171 Ų171140.7 Ų140.780%0.79975%0.748SS**  trans82.5141136.1-74.4169.958.500122.9
302F22.3Very low26.1Very low193 Ų193140.3 Ų140.385%0.84674%0.742SS**  trans-61.3176.2156.5-70.2-101.5000111.9
303P37.7Very low26.1Very low96 Ų96138.3 Ų138.362%0.62374%0.741SS**  cis-140.9-176.9-43.239.6-23.2000113.8
304N24.1Very low26.4Very low152 Ų152135.7 Ų135.781%0.81374%0.737SS**  trans71.4171.5152-79.8-32.6000119.9
305L25.5Very low26.6Very low150 Ų150133.9 Ų133.979%0.78574%0.736SS**  trans75.2116.8-176-57170.5000113.5
306Q22.8Very low27Very low150 Ų150132.5 Ų132.570%0.70173%0.727SS**  85124.157.8-92.8-154.3-10.800114.1
307F22Very low27.3Very low177 Ų177136.7 Ų136.778%0.77674%0.739SS**  trans62.3160.6173.1-62.3-70.2000114.2
308K26.4Very low27.2Very low190 Ų190139.1 Ų139.183%0.82674%0.74SS**  cis-144.7149.16.8-145.5165.4-171.9175.30110.4
309S24.2Very low27.5Very low102 Ų102141.1 Ų141.171%0.71374%0.744SS**  trans-84.4-171.116453.20000110.9
310V24.1Very low27.6Very low103 Ų103140.5 Ų140.562%0.62475%0.746SS**  trans80.9117.7173.6-167.60000113H312V310-H312 WeakPolarHBondContact CG1-CE1 2.98Å; V310-H312 WeakPolarHBondContact CG1-ND1 3.37Å; V310-H312 WeakPolarHBondContact CG1-NE2 3Å
311S28.3Very low27.9Very low107 Ų107139.4 Ų139.475%0.74875%0.748SS**  -170.7161.778.947.80000111.9
312H30.2Very low28Very low152 Ų152137.1 Ų137.170%0.70475%0.746SS**  cis-164.7157.4-18.3-106.6-43.4000111.5V310V310-H312 WeakPolarHBondContact CG1-CE1 2.98Å; V310-H312 WeakPolarHBondContact CG1-ND1 3.37Å; V310-H312 WeakPolarHBondContact CG1-NE2 3Å
313S26.8Very low28.2Very low106 Ų106134.5 Ų134.574%0.74174%0.74SS**  trans64.1158.2153.467.50000117.5
314V31Very low27.7Very low125 Ų125136.3 Ų136.376%0.75874%0.744SS**  cis-139.3110.228.2174.70000113.9
315N29.4Very low28Very low149 Ų149135.9 Ų135.980%0.79774%0.74SS**  trans70.4175.1130.8-117.413.3000120.3
316P38.6Very low28.1Very low91 Ų91133.9 Ų133.959%0.59174%0.739SS**  -138.2175.1-117.842.5-22.7000117.2
317N32.2Very low28.2Very low162 Ų162133.5 Ų133.587%0.86675%0.747SS**  -179.3178.5129.4-99-37.4000114.6
318H29.8Very low28.3Very low162 Ų162136.3 Ų136.375%0.7575%0.754SS**  trans-94.8157.5-161.9-103-86.5000117.4
319N29.4Very low28.4Very low131 Ų131131 Ų13170%0.70175%0.753SS**  trans59.1102148.8-60.8-4.1000120.4
320N27.7Very low28.4Very low159 Ų159131.4 Ų131.485%0.8576%0.755SS**  -172.9154.8107.1-102.9-27.3000114.7
321S27.6Very low28.5Very low99 Ų99131.5 Ų131.569%0.69276%0.756SS**  trans47.6119.1151.861.50000122.8
322V29Very low28.4Very low124 Ų124135.5 Ų135.575%0.75276%0.757SS**  82.3109.7127.5176.40000120.4
323N26.5Very low28.2Very low137 Ų137136.3 Ų136.373%0.73376%0.761SS**  trans93.9122.6138.8-84.5-2000125.2
324L27.2Very low28.1Very low135 Ų135136.8 Ų136.871%0.70776%0.759SS**  trans88.9114.2135.4-65.4164.7000122.2
325I29.9Very low27.9Very low143 Ų143135.2 Ų135.273%0.73375%0.754SS**  trans60.6106.5136.5-59.8175.9000116.9
326S27.1Very low27.7Very low107 Ų107133.3 Ų133.375%0.74875%0.752SS**  cis100.7125.230.779.30000114.4
327V24.1Very low27.1Very low143 Ų143133.8 Ų133.887%0.86776%0.758SS**  trans-128.9161.3-170.3173.80000111.5
328Y25.3Very low26.8Very low236 Ų236131.5 Ų131.593%0.92575%0.753SS**  trans-53.5158.2175.8-83.9-104.2000116
329G27.4Very low26.5Very low79 Ų79128.8 Ų128.881%0.81475%0.752SS**  trans-172.6139.7160.300000112.2
330S25.5Very low26.4Very low109 Ų109129.6 Ų129.676%0.76276%0.762SS**  trans-142.6133-172.556.50000113.9
331T25.4Very low26.3Very low105 Ų105127 Ų12764%0.64476%0.756SS**  trans32.3132.2147.557.60000120
332Y26.9Very low26.4Very low192 Ų192128.2 Ų128.275%0.75376%0.755SS**  -172.715564.6-94.2-68.7000115
333Q24.7Very low26.2Very low169 Ų169132 Ų13279%0.7976%0.757SS**  trans65.5159.7148-68.7175.114.600118.3
334T25.3Very low26.7Very low115 Ų115130.7 Ų130.771%0.70676%0.756SS**  cis-136.2167.321.252.40000115.9
335S27.2Very low26.9Very low93 Ų93131.5 Ų131.565%0.6576%0.759SS**  trans63.6116.1142.560.80000123.2
336S25.4Very low26.5Very low109 Ų109132 Ų13276%0.76276%0.759SS**  trans50147132.460.10000122.6
337S26.6Very low26.6Very low101 Ų101136.2 Ų136.271%0.70676%0.76SS**  cis-176.8158.3-12.2500000110.7
338C24.5Very low26.8Very low114 Ų114134.8 Ų134.877%0.7775%0.747SS**  trans60.196.6157.5-61.70000120.2
339S24.6Very low27Very low105 Ų105130.4 Ų130.473%0.73474%0.735SS**  trans17.7123.813257.90000121.3
340T26.8Very low26.9Very low148 Ų148133.6 Ų133.691%0.90873%0.733SS**  -171.9162.811018.20000112.1
341S26.3Very low27.6Very low103 Ų103134.6 Ų134.672%0.7274%0.735SS**  trans-92.7172174.258.50000110.7
342N28Very low27.9Very low125 Ų125135.1 Ų135.167%0.66874%0.74SS**  cis-166.9-179.427.3-148.1-3.7000112.6
343Y25.9Very low27.9Very low205 Ų205131.3 Ų131.380%0.80474%0.74SS**  trans80.1157.7159-73.9-50.3000120.9
344P36.6Very low28Very low108 Ų108131.8 Ų131.870%0.70174%0.74SS**  trans-137.4-167.8-140.444-23.9000115.2
345I30.9Very low28.1Very low152 Ų152134.4 Ų134.478%0.77974%0.741SS**  trans-158.8175.1154.5-111154.8000111.8
346Q22.4Very low28.3Very low153 Ų153136.3 Ų136.372%0.71574%0.743SS**  trans-74.4-166.7-169.9-57.6147.1-75.200114.9
347Y29.1Very low28.4Very low196 Ų196136.6 Ų136.677%0.76974%0.736SS**  trans80.9142.2172.2-60.6-83.2000116.3
348D27.2Very low28.5Very low113 Ų113137.8 Ų137.860%0.60473%0.734SS**  cis-162.8-179.2-26.8-146.1-25.6000110.4
349Q31.1Very low28.7Very low145 Ų145138.9 Ų138.968%0.67873%0.731SS**  trans-1.6149.8146.4-75.9161.678.700120.1
350N25.4Very low28.9Very low145 Ų145140.2 Ų140.278%0.77573%0.729SS**  cis-170.6160.5-22.2-125.4-20.8000109.8
351V39.5Very low29Very low130 Ų130138.7 Ų138.779%0.78872%0.719SS**  trans-93139.7174.5-179.50000111.4
352P31.9Very low29Very low116 Ų116139.2 Ų139.275%0.75372%0.718SS**  trans-144.5161.2151.436.7-21.1000116.1
353C26.4Very low28.9Very low113 Ų113139.7 Ų139.776%0.76473%0.725SS**  cis-178.3-178.4-36.3-119.10000111
354K27.5Very low28.8Very low178 Ų178134.7 Ų134.777%0.77472%0.72SS**  trans84.2143.7174.1-48.1-179.3-179.3-178.50114.4
355F27.1Very low28.2Very low170 Ų170134.4 Ų134.475%0.74672%0.721SS**  cis-134.8142.123.2-106.6-98.3000113.8
356I30.8Very low27.9Very low133 Ų133135.5 Ų135.568%0.68272%0.723SS**  trans56.9130.6144.2-73.6-175.7000118.9
357D28.8Very low27.9Very low116 Ų116133.6 Ų133.662%0.6273%0.726SS**  cis-165.4153.9-0.9-116.51.8000113
358N28.9Very low27.6Very low125 Ų125129.7 Ų129.767%0.66872%0.723SS**  trans45.2155.4134.6-61.4-29.8000122.1
359I28.2Very low27.6Very low138 Ų138130.6 Ų130.671%0.70873%0.733SS**  cis-171.6155.4-4.1-107.7167.5000106.8
360I29.3Very low27.4Very low132 Ų132128 Ų12868%0.67773%0.731SS**  cis-163.8128.1-29.6-157.7162.8000111.4
361T26.9Very low27.4Very low116 Ų116128.6 Ų128.671%0.71273%0.732SS**  trans55.4179.4152.7660000120.3
362T26.7Very low26.9Very low114 Ų114130.2 Ų130.270%0.69973%0.731SS**  cis-159.7149.513.8-13.40000115.5
363V26.9Very low26.7Very low135 Ų135131.5 Ų131.582%0.81873%0.725SS**  trans75.7159.7142159.20000121.7
364S23Very low26.7Very low100 Ų100132.5 Ų132.570%0.69972%0.719SS**  trans-131.5170.9-161.3-48.90000113.3
365S24.6Very low26.7Very low103 Ų103128.5 Ų128.572%0.7271%0.713SS**  trans58.7115.4144.158.70000122.3
366E24.4Very low26.7Very low175 Ų175127 Ų12782%0.81871%0.713SS**  75.7106.8129.2-63.4-175.2168.100123.3
367S23.4Very low26.6Very low112 Ų112125.7 Ų125.778%0.78371%0.711SS**  trans75.2155.9132.482.50000118.5
368T22.4Very low26.7Very low115 Ų115126.4 Ų126.471%0.70672%0.715SS**  cis-139.5-172.512.445.80000111
369T26.7Very low26.9Very low131 Ų131126.4 Ų126.480%0.80472%0.715SS**  trans74143170.874.90000117.4
370S26.3Very low26.8Very low92 Ų92124.1 Ų124.164%0.64371%0.711SS**  cis-165.2129.8-14.343.10000113.9
371I26.3Very low26.9Very low156 Ų156123.7 Ų123.780%0.871%0.71SS**  trans57.2145.4136.6-40.3164000119.5
372Q27.8Very low27Very low164 Ų164126.4 Ų126.477%0.76672%0.715SS**  trans86.7145.2167.5-52.9-163.11400116.5
373K28.1Very low27Very low144 Ų144125.6 Ų125.663%0.62671%0.714SS**  cis-158.7-177.5-17.4-120.8176.1173.5-79.80111.3
374E26.7Very low27.1Very low133 Ų133125.8 Ų125.862%0.62171%0.709SS**  trans-42.3174170.4-53.3115.3-169.600118
375S27.4Very low27.5Very low94 Ų94126.3 Ų126.366%0.65771%0.708SS**  trans68.9151.6147.557.90000118.7
376D28.2Very low27.5Very low138 Ų138128.7 Ų128.774%0.73871%0.712SS**  cis-154.2141.3-17.3-103.1-20000107.1
377V27Very low27.7Very low107 Ų107126.5 Ų126.565%0.64871%0.705SS**  55.711986.7-176.50000114.1
378N32.4Very low27.8Very low130 Ų130129.3 Ų129.370%0.69571%0.706SS**  trans152.8114144.1-85.1-65.6000108.6
379N31.4Very low28Very low125 Ų125131.2 Ų131.267%0.66871%0.707SS**  82.1109.471.1-72.68.2000110.5
380S27.1Very low28Very low91 Ų91131.4 Ų131.464%0.63670%0.701SS**  96.2171.179.383.40000109.9
381D30.4Very low28.1Very low123 Ų123132.8 Ų132.866%0.65871%0.706SS**  cis-153.1169.59.9-116.1-40.9000110
382E29.5Very low28Very low172 Ų172132.6 Ų132.680%0.80471%0.707SS**  trans47.6157.9143.9-66.8-178.8162.800121.7
383S26.8Very low28Very low97 Ų97132.9 Ų132.968%0.67871%0.713SS**  cis-159.2-150.8-17.647.50000106.2
384I29.7Very low28Very low140 Ų140131.1 Ų131.172%0.71872%0.718SS**  cis-160.1171.56.7-145.3173.7000110.6
385T30.9Very low28.1Very low110 Ų110129.9 Ų129.968%0.67573%0.725SS**  trans9.8118.3170.661.90000123.2
386D25.3Very low28.2Very low153 Ų153131 Ų13182%0.81872%0.723SS**  55.7154.599.7-121.3-27.5000124.4
387I27.3Very low28.3Very low130 Ų130132.5 Ų132.567%0.66772%0.723SS**  trans81.7107.1161.7-64.1168.3000120.3
388Q27.4Very low28Very low170 Ų170132.3 Ų132.379%0.79473%0.726SS**  trans63.6157.7145.9-68.9174.58.300120.5
389Q25.2Very low27.8Very low155 Ų155136 Ų13672%0.72474%0.737SS**  cis-173.5176.9-26-171.6176.556.300108
390I27.2Very low27.3Very low135 Ų135137.3 Ų137.369%0.69274%0.739SS**  trans90.7124.6157.3-51.6175.2000119.2
391T28.4Very low27.1Very low121 Ų121140.6 Ų140.674%0.74274%0.742SS**  trans57.1129.116551.60000120.1
392N24.6Very low26.9Very low152 Ų152143.6 Ų143.681%0.81375%0.749SS**  cis76.4112.544.2-76.7-13.7000116.5
393L28Very low26.5Very low171 Ų171142.3 Ų142.390%0.89575%0.748SS**  -179.1144.3126-101.1161.3000113.2
394S27Very low26.5Very low106 Ų106142.9 Ų142.974%0.74175%0.752SS**  trans40130.7152.2-146.50000120.2
395S29.4Very low26.3Very low108 Ų108141.4 Ų141.476%0.75575%0.754SS**  cis-163.1-155.45.726.40000107.5
396D28.7Very low26.1Very low117 Ų117144.7 Ų144.763%0.62676%0.764SS**  cis-160.116714.4179.531.8000110
397K30Very low26Very low170 Ų170142 Ų14274%0.73976%0.756SS**  trans36.987.6163.4-79.3168-158.569.80119.9
398S22.3Very low25.8Very low102 Ų102143.7 Ų143.771%0.71376%0.761SS**  trans-73.8156.9134.5570000111.3
399F26.7Very low25.6Very low209 Ų209141 Ų14192%0.91776%0.756SS**  -162.2172.5129.6-116.6-75.3000112.1
400Q22.1Very low25.9Very low151 Ų151140 Ų14071%0.70676%0.761SS**  trans-147156.8-156.1-148.4-1782300111.5
401F22.3Very low25.9Very low160 Ų160141.5 Ų141.570%0.70276%0.762SS**  trans75.4157153-84-59.9000123.8
402F25.3Very low25.8Very low186 Ų186143.9 Ų143.982%0.81676%0.764SS**  trans89.5133157-78.4-67.1000122.5
403N22.8Very low25.8Very low146 Ų146141.7 Ų141.778%0.78176%0.761SS**  trans-91.9156.9176.2-56.4-59.2000110.8
404S26.5Very low25.9Very low109 Ų109139 Ų13976%0.76276%0.756SS**  171.1156.3111.6-73.40000113.4
405S24.9Very low25.8Very low108 Ų108142.2 Ų142.276%0.75576%0.762SS**  trans23.7145.9144.667.10000121.7
406M25.8Very low26.4Very low179 Ų179141.5 Ų141.588%0.88276%0.755SS**  cis-164.2175.916.6-141.2-179.2171.500113.7
407C23.9Very low26.6Very low96 Ų96142 Ų14265%0.64976%0.764SS**  trans-48.3165.8158.3-59.10000114.8
408E22.8Very low26.4Very low166 Ų166140 Ų14078%0.77677%0.767SS**  cis-167.9164.5-8.6-116179.911900111.4
409V24.3Very low26.8Very low115 Ų115143 Ų14370%0.69777%0.773SS**  trans49.2121.8148.4177.40000121.3
410V30.2Very low26.7Very low134 Ų134137.4 Ų137.481%0.81276%0.76SS**  trans-149.9119.2132.5166.20000111.6
411K29Very low27Very low166 Ų166141.7 Ų141.772%0.72277%0.771SS**  trans28.5124.2141.4-60.1-178.2-178.4175.30120.5
412Q25.4Very low27.3Very low170 Ų170137.5 Ų137.579%0.79477%0.774SS**  69.4142.774.2-69.4172.1-31.600115.2
413S24.5Very low27.5Very low106 Ų106136.5 Ų136.574%0.74178%0.775SS**  cis178.9132.8-1451.90000113.7
414S29.2Very low27.7Very low114 Ų114134.3 Ų134.380%0.79777%0.771SS**  trans175.1125.6155.850.90000110
415M26.9Very low27.8Very low174 Ų174137.6 Ų137.686%0.85777%0.774SS**  91.5147.556.5-75.3-84.490.600114.2
416P40.3Very low28.2Very low93 Ų93137.6 Ų137.660%0.60477%0.771SS**  trans-131.3-164.6-134.145.7-30.8000115.1
417P34.4Very low28.3Very low128 Ų128135.5 Ų135.583%0.83177%0.768SS**  trans-130-168135.137.4-26000114.5
418T25.7Very low28.9Very low128 Ų128136.5 Ų136.579%0.78577%0.774SS**  trans-136.2-175-146.1-39.20000113.3
419I30Very low29.2Very low165 Ų165140.3 Ų140.385%0.84678%0.781SS**  trans91.1133.9168.3-57.3166.8000113.3
420S25.4Very low29.6Very low92 Ų92144.1 Ų144.164%0.64379%0.791SS**  cis-161.7155.3-1.4148.30000113.2
421Y27.6Very low29.5Very low240 Ų240149.7 Ų149.794%0.94180%0.798SS**  trans14.8138158.1-70.4-96.4000123.1
422G28.2Very low29.5Very low73 Ų73146.2 Ų146.275%0.75380%0.8SS**  trans167.779.3156.700000121.5
423I30Very low29.5Very low165 Ų165148.3 Ų148.385%0.84681%0.807SS**  trans51.7109.7142.8-59.3176.6000122
424S26.8Very low29.8Very low99 Ų99149 Ų14969%0.69281%0.809SS**  trans33.2134.3145.873.20000125
425Q29.7Very low29.9Very low179 Ų179155.5 Ų155.584%0.83682%0.816SS**  -170.4169.4127.4-93.8-75.1-40.900108.3
426P32.1Very low30.1Very low107 Ų107153.4 Ų153.470%0.69581%0.813SS**PPolyproline II helixtrans-98.9167.5-144.937.6-40.2000118.7
427V27.8Very low29.5Very low135 Ų135156.7 Ų156.782%0.81883%0.826SS**PPolyproline II helixtrans-102.7130.4179.5177.90000112
428P36.3Very low29.6Very low118 Ų118155.9 Ų155.977%0.76682%0.82SS**PPolyproline II helixtrans-79.8141.6171.232.2-33.6000112.3
429R28.9Very low29.8Very low246 Ų246155.8 Ų155.893%0.92882%0.82SS**PPolyproline II helixtrans-81.4129.8-180-70.8177.1172.6161.8-3.5112.4
430Q33.3Very low29.8Very low194 Ų194155 Ų15591%0.90782%0.816SS**PPolyproline II helixtrans-72.9150.7161.2-74.7-177.2-24.800111.2
431R27.6Very low29.8Very low251 Ų251155.3 Ų155.395%0.94782%0.818SS**PPolyproline II helixtrans-91.8144.6175.9-68.4179.4176.8171.4-1.3111.1
432A29.1Very low29.9Very low94 Ų94155.8 Ų155.878%0.77782%0.818SS**  trans-128.9149.1164.500000110
433F24.9Very low30Very low214 Ų214157.8 Ų157.894%0.93982%0.818SS**  trans-80.7140.8-175.7-66.1-100.8000113
434P32.2Very low30.1Very low121 Ų121155.9 Ų155.979%0.78682%0.819SS**  trans-105.4169.3154.636.2-28.7000112.4
435R30.9Very low30.3Very low250 Ų250154.1 Ų154.194%0.94382%0.817SS**  trans-90.2165.2-174.7-75.1176.5170.1159.1-4.6114
436T31.3Very low30.4Very low130 Ų130154 Ų15480%0.79882%0.821SS**  trans-61.1150.1178.851.90000115.7
437N28.1Very low30.4Very low162 Ų162151.9 Ų151.987%0.86682%0.82SS**  trans-156.9121.4148.2-139.114.2000111.4
438P35.7Very low30.5Very low110 Ų110151.8 Ų151.871%0.71482%0.819SS**  trans-129.6104.3-179.336.8-20.3000115.5
439T30.9Very low29.9Very low127 Ų127151.6 Ų151.678%0.77982%0.819SS**  trans-167.9144.5163.440.20000109.1
440I29.4Very low29.8Very low149 Ų149145.8 Ų145.876%0.76481%0.812SS**  cis-156.8153-16.8-127.4169.1000108.5
441S26Very low29.6Very low97 Ų97144 Ų14468%0.67881%0.807SS**  trans33.8115.8166.269.10000121.4
442R28Very low30.1Very low251 Ų251137.1 Ų137.195%0.94780%0.795SS**  -145.5106.3120.9-113.3-172.1-175.6-162.61.4109.8
443P31.3Very low30.1Very low115 Ų115142.9 Ų142.975%0.74780%0.797SS**  trans-71.2146166.431-32.9000109.6G445P443-G445 PolarHBondContact O-N 2.87Å
444S32.8Very low30.6Very low125 Ų125138.3 Ų138.387%0.87479%0.789SS**  trans-67.8108.2169.150.20000109.4
445G29.2Very low30.2Very low62 Ų62136.1 Ų136.164%0.63978%0.776SS**  trans-79142.5179.800000113.1P443P443-G445 PolarHBondContact O-N 2.87Å
446N32.3Very low30.2Very low175 Ų175130.2 Ų130.294%0.93677%0.767SS**  trans69.5128.8157.7-50.4-11.4000117.4
447G31.6Very low30.1Very low64 Ų64130 Ų13066%0.6676%0.76SS**  cis168.3168.5-7.900000114.4
448T30.2Very low30.6Very low132 Ų132127.5 Ų127.581%0.8175%0.753SS**  trans43.6111.4150.854.20000118.1
449C24Very low30.4Very low114 Ų114127.3 Ų127.377%0.7775%0.754SS**  cis62147.344.3-52.20000115.9
450T27Very low30.2Very low124 Ų124130.9 Ų130.976%0.76176%0.762SS**  trans79.2110.1179.972.10000114.5
451L29.7Very low30.1Very low157 Ų157127.7 Ų127.782%0.82277%0.765SS**  85.7170.467.7-76.4167.5000111.8
452P36.9Very low30.2Very low107 Ų107128.8 Ų128.870%0.69577%0.773SS**  cis-140.7156.15.538.9-19.3000119
453R30Very low30.5Very low214 Ų214122 Ų12281%0.80876%0.761SS**  trans54.5164.4135.3-81.1178.9179.7-176.9-0.7121.4
454P34.6Very low30.4Very low118 Ų118123.3 Ų123.377%0.76676%0.761SS**  cis-112.5145.133.47.618.3000116.3
455C25.1Very low30Very low76 Ų76122.3 Ų122.351%0.51475%0.754SS.*  73.7129.679.8-56.70000112.9I457C455-I457 HydrophobicContact CB-CD1 4.24Å
456T30.2Very low29.8Very low125 Ų125127.8 Ų127.877%0.76777%0.767SS**  -159.2132.559.5-56.40000108.5
457I30Very low29.4Very low127 Ų127128.7 Ų128.765%0.65176%0.764SS**  83.9135.150.1-70168.3000112.4C455C455-I457 HydrophobicContact CB-CD1 4.24Å
458P38.5Very low29.6Very low109 Ų109130.5 Ų130.571%0.70876%0.764SS**  cis-148.8-144-22.245-23.1000114.7
459S31.3Very low29.4Very low106 Ų106129 Ų12974%0.74176%0.759SS**  trans86.4114.9170.269.60000116
460E26.2Very low29.4Very low202 Ų202129.9 Ų129.994%0.94476%0.76SS**  cis83.612039.8-63.7-165167.300114.8
461G28.3Very low29.2Very low81 Ų81128 Ų12884%0.83576%0.757SS**  trans165.5103.6178.600000114.1
462S27.3Very low29.2Very low121 Ų121128.4 Ų128.485%0.84676%0.759SS**  trans-111.7163.4155.3-65.90000106.8
463P33.2Very low28.7Very low107 Ų107127 Ų12770%0.69575%0.752SS**  cis-149.5-147.636.533.4-5.5000114.2
464I29.9Very low28.7Very low144 Ų144124.7 Ų124.774%0.73875%0.75SS**  trans71.293161.8-59.4158000114.4
465S24Very low28.4Very low104 Ų104128.1 Ų128.173%0.72775%0.753SS**  71.8113.169.481.60000116.4
466L26.6Very low28.5Very low176 Ų176128.9 Ų128.992%0.92176%0.76SS**  trans-161.2149.1146.6-107.5169.9000110.7
467F22.6Very low28.4Very low195 Ų195129.8 Ų129.886%0.85576%0.76SS**  trans-130.7175.8-180-95.4-72000107
468P37.2Very low28.4Very low102 Ų102129.2 Ų129.266%0.66276%0.762SS**  cis-135.7-163.2-20.530.8-7.5000113
469S24.1Very low27.8Very low101 Ų101129 Ų12971%0.70676%0.764SS**  trans92.9121.8137-730000123.6
470V25.1Very low27.6Very low131 Ų131129.3 Ų129.379%0.79477%0.766SS**  trans75.1106.7130.4-1790000120.3
471A23Very low27.7Very low84 Ų84123.8 Ų123.869%0.69475%0.754SS**  trans31.4125.8136.200000122.2
472L28.7Very low27.5Very low167 Ų167131.2 Ų131.287%0.87476%0.757SS**  -172.8151.1125.8-116.172.5000104.2
473S26.2Very low27.4Very low78 Ų78129.7 Ų129.755%0.54575%0.752SS.*  cis164.4170.9-10.148.10000105.6
474Q30.8Very low27Very low165 Ų165129 Ų12977%0.77175%0.75SS**  trans77.9108.8169.7-48.2-174.93.200114.1
475F29Very low26.9Very low189 Ų189128.8 Ų128.883%0.82975%0.749SS**  83101.779.7-73.2-50.5000111
476S27.4Very low27.1Very low93 Ų93129.8 Ų129.865%0.6575%0.751SS**  85.5139.978.868.50000112.5
477D27.9Very low27.1Very low143 Ų143127 Ų12777%0.76574%0.737SS**  cis-157.9-179.810.7-129-25.2000116.1
478T28.6Very low27.4Very low115 Ų115122.7 Ų122.771%0.70673%0.731SS**  trans-32162.4162.653.10000119
479S27.2Very low27Very low105 Ų105124.9 Ų124.973%0.73473%0.73SS**  cis-176.4174.3-955.40000113.3
480S26.7Very low27.3Very low112 Ų112127.8 Ų127.878%0.78374%0.736SS**  trans93.1133.7141.4-150.30000122.8
481A27.5Very low28Very low86 Ų86126.6 Ų126.671%0.71173%0.731SS**  trans61.897.5144.900000123.7
482R24.7Very low28.3Very low238 Ų238129.4 Ų129.490%0.89873%0.733SS**  80.1113.8112.2-170.3176-172.2157.83.1121
483A25.7Very low28.3Very low89 Ų89128.4 Ų128.474%0.73673%0.727SS**  trans71.2148.614900000117.1
484S24.8Very low28.5Very low92 Ų92133.2 Ų133.264%0.64374%0.74SS**  cis178.2-174.9-7.950.50000109.3
485I26.6Very low28.2Very low139 Ų139128.3 Ų128.371%0.71373%0.733SS**  trans72.498149.3-74.5167.4000116.4
486T28.8Very low28.2Very low126 Ų126124.2 Ų124.277%0.77373%0.728SS**  75.3139.995.373.70000118.5
487D26.9Very low28.1Very low117 Ų117126.2 Ų126.263%0.62673%0.732SS**  trans-149.7163.8138.5-118.2-31.1000107.3K489D487-K489 WeakPolarHBondContact OD1-CB 3.16Å; D487-K489 WeakPolarHBondContact OD1-CE 3.45Å; D487-K489 IonicContact OD1-NZ 2.93Å; D487-K489 PolarHBondContact OD1-NZ 3.46Å; D487-K489 IonicContact OD2-NZ 2.77Å; D487-K489 PolarHBondContact OD2-NZ 2.9Å
488S29.6Very low28Very low105 Ų105124.2 Ų124.273%0.73473%0.729SS**  cis-138.3143.77.553.50000110.4
489K28.7Very low27.8Very low148 Ų148127.7 Ų127.764%0.64373%0.734SS**  cis76.4109.142.8-173.2-163.4-75.21450113.2D487D487-K489 WeakPolarHBondContact OD1-CB 3.16Å; D487-K489 WeakPolarHBondContact OD1-CE 3.45Å; D487-K489 IonicContact OD1-NZ 2.93Å; D487-K489 PolarHBondContact OD1-NZ 3.46Å; D487-K489 IonicContact OD2-NZ 2.77Å; D487-K489 PolarHBondContact OD2-NZ 2.9Å
490I30Very low27.9Very low161 Ų161129 Ų12983%0.82673%0.734SS**  trans173.8148.9135-92160.4000111.5
491P39.7Very low27.9Very low106 Ų106128.7 Ų128.769%0.68873%0.731SS**  trans-129.8-160.8-158.240.2-20.6000114.5
492I29.3Very low27.7Very low144 Ų144130.6 Ų130.674%0.73874%0.739SS**  trans163.2123.7132.5-86159.4000115.3
493I29.5Very low28Very low146 Ų146124.3 Ų124.375%0.74973%0.732SS**  trans59.2152.2149.9-69.8176.6000119.4
494H29Very low28.2Very low179 Ų179127.1 Ų127.183%0.82973%0.733SS**  cis-123.9-142.6-0.4-140.4-24.8000111.2
495G25.8Very low28.4Very low61 Ų61129.5 Ų129.563%0.62974%0.738SS**  cis98.7140.53.600000115.3
496S28Very low28.5Very low103 Ų103132.4 Ų132.472%0.7275%0.745SS**  cis-154.1176.7-11.661.80000111.9
497D25.8Very low28.3Very low135 Ų135135.3 Ų135.372%0.72275%0.75SS**  trans68.797.6154.5-57.3-51.8000124.5
498S24.5Very low28.4Very low102 Ų102138.8 Ų138.871%0.71376%0.76SS**  87147.7119.786.10000122.8
499K24.7Very low28Very low187 Ų187140.7 Ų140.781%0.81376%0.76SS**  trans77.5159.5155.9-70.1-179.6-179.7175.50121.2
500D29Very low27.8Very low134 Ų134139.2 Ų139.272%0.71776%0.759SS**  trans82.5100.5155.1-75.5-54000122.6
501S27.9Very low27.6Very low105 Ų105138.6 Ų138.673%0.73475%0.752SS**  73.2111.3108.2-61.40000120
502S22.9Very low27Very low125 Ų125141.2 Ų141.287%0.87476%0.755SS**  trans-64.3137.2176.354.40000115.7
503S30.5Very low26.8Very low107 Ų107140 Ų14075%0.74875%0.754SS**  trans-153.9151.6153.964.40000108.9
504L30.4Very low26.6Very low147 Ų147138.1 Ų138.177%0.7775%0.754SS**  cis-144.299.5-2.9-155.873.1000112.2
505I29.2Very low26.5Very low143 Ų143134.1 Ų134.173%0.73375%0.746SS**  47.5113.6128-54.8170.4000118.9
506K28.8Very low26.7Very low199 Ų199138 Ų13887%0.86575%0.752SS**  -161.4119.698.7-99-166-177.2176.40113.6
507Q25Very low26.7Very low187 Ų187139.9 Ų139.987%0.87475%0.753SS**  trans-84.6158.7151.5-60.6161.8-50.500108.9
508K27.4Very low26.7Very low191 Ų191140.8 Ų140.883%0.8376%0.757SS**  -152.8137.9115.2-131.2-163.3176-154.20112
509L21.5Very low27.5Very low144 Ų144141.2 Ų141.275%0.75476%0.757SS**  trans-116175168.7-130.2171.6000106.4
510I25.6Very low27.6Very low118 Ų118141.1 Ų141.161%0.60576%0.76SS**  trans72.7138.3167-59.8151.8000111.7
511E24.9Very low27.3Very low148 Ų148141.6 Ų141.669%0.69276%0.762SS**  cis-156.5138.147.4-145.3131.6-130.400113.9
512H27.2Very low27.4Very low161 Ų161144.9 Ų144.975%0.74577%0.77SS**  trans40.9154.5133-66.3-23.5000123.8
513V25.6Very low27.5Very low118 Ų118143.1 Ų143.172%0.71576%0.757SS**  cis-162.7158.8-6.2117.10000111.4
514S24.9Very low27.4Very low107 Ų107145.6 Ų145.675%0.74876%0.762SS**  trans130.9139.1155.7-630000112.2
515S27.5Very low27.3Very low95 Ų95142.7 Ų142.766%0.66475%0.754SS**  cis-168.8157.8-6.646.80000110.9
516N29.3Very low27.1Very low142 Ų142142.4 Ų142.476%0.75975%0.754SS**  trans76.7149.5163.5-55.7-12.8000119.2
517L27.4Very low27.1Very low142 Ų142139.3 Ų139.374%0.74375%0.747SS**  cis-168.2132.9-37.5-114.5167.7000110.7
518I26.9Very low27.2Very low155 Ų155136.4 Ų136.480%0.79574%0.742SS**  trans14.1154.4146.9-75.4168.3000123.6
519P41.7Very low27.8Very low110 Ų110132.9 Ų132.971%0.71474%0.739SS**  trans-119.1-167.3-165.744.9-30.2000114.9
520E26.2Very low28Very low186 Ų186134.3 Ų134.387%0.86974%0.742SS**  trans-162170.6147.5-121.6168.3-141.500115.4
521D23.1Very low28Very low144 Ų144132.9 Ų132.977%0.7774%0.741SS**  trans-63.2163.3-157.1-58.9-30.2000122
522I30.3Very low28Very low174 Ų174132.3 Ų132.389%0.89274%0.741SS**  -177.3155.4111.1-91.9165.1000112.4
523S24.8Very low28Very low87 Ų87131.3 Ų131.361%0.60874%0.74SS**  trans-96.5158.4-168.459.90000116.5
524N28.7Very low28Very low159 Ų159131 Ų13185%0.8574%0.739SS**  174.9168.4113.6-86.4-23.8000116
525S28.3Very low28Very low87 Ų87130.7 Ų130.761%0.60874%0.736SS**  trans-94.6154.6-157.454.20000118.7
526D25.5Very low27.9Very low136 Ų136131.8 Ų131.873%0.72774%0.744SS**  29.5137.5129.1-39.6-36.7000122.1
527N27.4Very low27.6Very low134 Ų134130.3 Ų130.372%0.71775%0.745SS**  171.9148.293-102.2-57.2000119
528T27.4Very low27.6Very low127 Ų127132.4 Ų132.478%0.77975%0.751SS**  trans67.9155.5147.9520000124.4
529P39.3Very low27.6Very low117 Ų117131 Ų13176%0.7675%0.749SS**  trans-129.5167.1-161.843.3-27000117.5
530E26.6Very low26.7Very low174 Ų174133.3 Ų133.381%0.81376%0.755SS**  trans-166165.2159.4-92.4-68.490.200109.2
531C24.7Very low26.7Very low88 Ų88132 Ų13260%0.59575%0.754SS**  cis-171.5174.8-47.2-1420000113.9
532I24.9Very low27Very low135 Ų135129.4 Ų129.469%0.69275%0.753SS**  trans65.4120.3141.1-89.6165.1000123.6
533I27.8Very low26.8Very low141 Ų141127 Ų12772%0.72375%0.751SS**  trans92.1118.7136-78.1-177.7000125.2
534T26.3Very low26.8Very low111 Ų111130.3 Ų130.368%0.68176%0.761SS**  trans44.2112.2145.4700000125.3
535S24.8Very low26.6Very low100 Ų100128.2 Ų128.270%0.69974%0.744SS**  16.4138.4117.563.60000122.8
536S23.9Very low26.3Very low118 Ų118129.5 Ų129.583%0.82575%0.749SS**  134.7145.4118.871.60000116.9
537S23.6Very low26.3Very low112 Ų112128.5 Ų128.578%0.78375%0.752SS**  trans-43.7147.6-175-43.20000118.5
538Q27.3Very low26.1Very low185 Ų185127.8 Ų127.886%0.86476%0.756SS**  -169.6141.5126.9-106.4176.434.800115
539V26.6Very low26.1Very low126 Ų126127.3 Ų127.376%0.76476%0.758SS**  trans56.6131.4137.3173.40000122
540L24.2Very low25.6Very low158 Ų158128.4 Ų128.483%0.82776%0.762SS**  trans-61145.3166.3-63.1146.6000113.3
541N25.2Very low25.5Very low158 Ų158126.3 Ų126.385%0.84576%0.757SS**  trans-174.7156.4133.2-105-39.5000114.2
542A28.7Very low25.4Very low91 Ų91129.9 Ų129.975%0.75277%0.765SS**  trans60.4144.6159.300000118.7
543S27.9Very low25.4Very low123 Ų123128.6 Ų128.686%0.8676%0.763SS**  cis-152163.6-9.4-114.90000111.1
544L24.1Very low25.4Very low156 Ų156128.9 Ų128.982%0.81776%0.764SS**  trans-90.8158.6-177.8-92.6168.1000113.5
545K23.7Very low25.6Very low115 Ų115128.7 Ų128.750%0.577%0.765SS.*  trans83.2127.8147.7-81.2166.2162.3-83.30121.8D1668K545-D1668 VanDerWaalsContact CE-OD2 3.31Å; K545-D1668 WeakPolarHBondContact CE-OD2 3.19Å; K545-D1668 WeakPolarHBondContact CG-OD2 3.4Å; K545-D1668 IonicContact NZ-OD1 3.57Å; K545-D1668 PolarHBondContact NZ-OD1 3.22Å; K545-D1668 IonicContact NZ-OD2 2.73Å; K545-D1668 PolarHBondContact NZ-OD2 3.37Å
546V23.4Very low25.9Very low115 Ų115129 Ų12970%0.69777%0.767SS**  trans72.4111.9130.2177.40000119.6
547S25.1Very low26.1Very low115 Ų115133 Ų13380%0.80477%0.766SS**  -160.9138.5110.959.50000110.9
548C23.7Very low26.1Very low119 Ų119132.6 Ų132.680%0.80476%0.761SS**  trans-105.1150.4169.3-66.90000110.3
549S26.6Very low26Very low116 Ų116128 Ų12881%0.81175%0.75SS**  trans55.2127.3170.160.50000118.3
550V28.7Very low25.9Very low140 Ų140127.5 Ų127.585%0.84874%0.743SS**  -168154.6112.9141.60000110
551N24.7Very low26Very low131 Ų131127.7 Ų127.770%0.70174%0.737SS**  trans-58.3133.9-176.7-77.318.6000116.1
552E23.3Very low26.1Very low163 Ų163129.8 Ų129.876%0.76273%0.734SS**  72.9173.3113.8-153.6175.9-147.800120.5
553V23.6Very low26Very low107 Ų107131.7 Ų131.765%0.64873%0.732SS**  trans74.890.9163.6-169.40000118.5
554I28.1Very low26.1Very low147 Ų147132.3 Ų132.375%0.75472%0.724SS**  47.4121.5105.3-62.4161.2000116.2
555P31.5Very low26.1Very low108 Ų108134.4 Ų134.470%0.70173%0.727SS**  -138.2-173.27945.5-32000112.2Y557P555-Y557 HydrophobicContact CB-CD2 4.34Å; P555-Y557 HydrophobicContact CB-CE2 4.38Å
556S29.1Very low26.4Very low106 Ų106134.9 Ų134.974%0.74174%0.739SS**  cis-166.3160.417.8470000109
557Y28.7Very low26.5Very low203 Ų203133.9 Ų133.980%0.79674%0.737SS**  cis-155.1117.2-27.1-120.9-98.6000102.2P555P555-Y557 HydrophobicContact CB-CD2 4.34Å; P555-Y557 HydrophobicContact CB-CE2 4.38Å
558C23.3Very low26.5Very low102 Ų102134.1 Ų134.169%0.68974%0.739SS**  60.3125.786.8-1410000115.5
559S25.5Very low26.7Very low90 Ų90131.7 Ų131.763%0.62973%0.734SS**  trans78.6155.1143.1-730000120.2
560N25.1Very low26.6Very low115 Ų115133.4 Ų133.462%0.61573%0.734SS**  cis-160.4142.5-5.5-114.5-14.2000113.9
561K26.8Very low26.6Very low162 Ų162137.6 Ų137.670%0.70474%0.736SS**  trans62.6167.2140.9-66.6178.6179.4-179.20120.6
562Y26.8Very low27.1Very low201 Ų201138.9 Ų138.979%0.78874%0.742SS**  trans72.2138.9175.5-52-77.7000114
563N26.7Very low27.6Very low131 Ų131136.2 Ų136.270%0.70174%0.739SS**  cis-158171.1-3.3-137.5-19.3000111.3
564I29.6Very low27.6Very low137 Ų137136.7 Ų136.770%0.70374%0.742SS**  trans69.6120.9164.1-61.4153.3000113.9V566I564-V566 HydrophobicContact CG2-CG2 4.47Å
565K23.2Very low27.7Very low199 Ų199136.9 Ų136.987%0.86574%0.744SS**  71.2162.959.6-82.6-170.3173.6-176.60114.5
566V30.2Very low27.4Very low125 Ų125136.9 Ų136.976%0.75875%0.747SS**  trans77.384.6-177.9-170.70000111.8I564I564-V566 HydrophobicContact CG2-CG2 4.47Å
567S27.1Very low27.8Very low95 Ų95137.1 Ų137.166%0.66475%0.746SS**  80.7111.375.877.90000113.4
568S24.2Very low28Very low119 Ų119134.7 Ų134.783%0.83275%0.746SS**  80.2123.799.174.80000115.6
569G28.8Very low28.1Very low68 Ų68134.9 Ų134.970%0.70175%0.749SS**  trans156.1102.9-17500000106.4
570N23.9Very low28.6Very low152 Ų152135 Ų13581%0.81376%0.755SS**  cis47.194.444.8-72.83.6000111.6
571Y29.3Very low28.7Very low229 Ų229133.7 Ų133.790%0.89876%0.755SS**  -164.3125.3119.9-100.8-68.5000110.8
572L34.5Very low29.5Very low158 Ų158131.6 Ų131.683%0.82776%0.758SS**  trans-75.1134.8153.1-70.8163.1000107.4
573P33.6Very low29.8Very low106 Ų106129.4 Ų129.469%0.68875%0.754SS**  -108.4149.8114.8-17.335.6000110.6
574V24.3Very low30.5Very low117 Ų117128.1 Ų128.171%0.70975%0.753SS**  cis62.4115.948.8-176.90000109
575D29Very low30.6Very low151 Ų151126.7 Ų126.781%0.80776%0.755SS**  cis-123.8150.936.9-85.5-63.4000117.1
576S26Very low31.1Very low108 Ų108121.9 Ų121.976%0.75575%0.747SS**  trans-87.7157148.5-600000108.5
577P37.7Very low31.2Very low111 Ų111121.1 Ų121.172%0.72175%0.747SS**  -147.5147.2111.527.4-8.1000116.6
578L31.8Very low31.8Very low153 Ų153121.9 Ų121.980%0.80175%0.749SS**  trans59.5108.2139.1-60.8172000118
579S26.7Very low32.1Very low106 Ų106123.4 Ų123.474%0.74175%0.748SS**  78.5145.376.282.80000113.8
580A34.6Very low32.2Very low93 Ų93124.7 Ų124.777%0.76975%0.746SS**  cis-146.2156.529.300000117.2
581S28.5Very low32.8Very low87 Ų87122.5 Ų122.561%0.60874%0.74SS**  trans-42.7160.9151.2-720000113.8
582P43.6Very low32.8Very low117 Ų117118 Ų11876%0.7674%0.737SS**  cis-148.2143.846.437.5-15.2000121.2
583H32.8Very low32.6Very low156 Ų156114.8 Ų114.872%0.72273%0.727SS**  31.8160.8114.6-57.2-71.2000122.3
584P41.4Very low32.4Very low103 Ų103119.3 Ų119.367%0.66974%0.736SS**  cis-144.9-170.2-37.141-23.1000114.6
585S31.8Very low32.6Very low108 Ų108119 Ų11976%0.75574%0.739SS**  trans71.7142.2152.563.50000120
586S33Very low32.6Very low98 Ų98117.5 Ų117.569%0.68574%0.74SS**  cis-167.2141.1-12.445.20000114.3
587S33.6Very low32.7Very low108 Ų108116.6 Ų116.676%0.75574%0.739SS**  trans65.1154.7143.160.30000121.7
588P38.6Very low32.3Very low111 Ų111116.8 Ų116.872%0.72174%0.743SS**  cis-140.2-171.6-23.534.2-12.7000115.5
589L31.5Very low32.1Very low152 Ų152115.7 Ų115.780%0.79675%0.749SS**  trans83.387.1159-58.9173000121.1
590S30.1Very low32.3Very low95 Ų95115.6 Ų115.666%0.66475%0.754SS**  21.2156.3112.762.50000122.3
591P36.3Very low32.2Very low106 Ų106117.5 Ų117.569%0.68876%0.757SS**  cis-146-164.5-27.840.5-20.2000114.8
592T30.2Very low32.4Very low135 Ų135117.4 Ų117.483%0.82876%0.761SS**  trans68.7113.8155.648.70000120.4
593S29.2Very low31.8Very low89 Ų89119.4 Ų119.462%0.62277%0.765SS**  trans-99.1141.4162.450.30000111.4
594F30.6Very low31.6Very low202 Ų202117.2 Ų117.289%0.88676%0.762SS**  -179157.499.7-101.7-67.3000113.5
595S27.6Very low31Very low109 Ų109118.4 Ų118.476%0.76277%0.768SS**  trans-87157.5172.1-177.80000111.2
596S30.2Very low30.9Very low120 Ų120116.8 Ų116.884%0.83976%0.761SS**  trans-148.1148.6158.761.30000111.4
597A26.9Very low30.7Very low89 Ų89119.7 Ų119.774%0.73677%0.769SS**  trans-145.7151.2174.500000109.8
598S28.5Very low30.4Very low115 Ų115119.9 Ų119.980%0.80477%0.77SS**SBendtrans55.788.5165.2-60.90000118.6
599S28.4Very low30Very low130 Ų130123.7 Ų123.791%0.90978%0.778SS**  trans27.4105.5131.8-52.60000120.4
600A31.3Very low29.8Very low104 Ų104126 Ų12686%0.8679%0.785SS**  trans-148143.6147.300000111
601T33.1Very low29.6Very low134 Ų134126.2 Ų126.282%0.82279%0.787SS**  trans-81.4131.8173.733.40000110.8
602A31.9Very low29.2Very low85 Ų85128.6 Ų128.670%0.70279%0.792SS**  67.3141.375.900000113.5
603L30.3Very low29.1Very low159 Ų159129.8 Ų129.883%0.83279%0.793SS**  cis-157.7-176.2-5.7-109.2167.7000105.9
604T28.4Very low29Very low109 Ų109132.8 Ų132.867%0.66980%0.799SS**  cis-118.2-140.116.142.40000111
605T28.7Very low29.4Very low129 Ų129127.6 Ų127.679%0.79179%0.786SS**  cis-166.7159.4-2.8-3.60000106.1
606A30.7Very low29.6Very low73 Ų73129 Ų12960%0.60378%0.784SS**  cis-153172-10.800000108.8
607N27.9Very low29.3Very low160 Ų160128.1 Ų128.186%0.85678%0.778SS**  trans26.3145.4147.6-56.55.6000121.2
608S28.8Very low29.5Very low111 Ų111132.1 Ų132.178%0.77678%0.784SS**  cis-164.1171.71.534.30000109.9
609E29.9Very low29.4Very low191 Ų191133.6 Ų133.689%0.89378%0.78SS**  trans-72.3131.6166.4-60.8169.3140.900110
610E27.9Very low29.3Very low201 Ų201135.5 Ų135.594%0.93977%0.772SS**  trans-163150.7140-122.1168.1-165.500111.3
611S25.6Very low29.1Very low100 Ų100136.7 Ų136.770%0.69976%0.764SS**  trans-116.6143.7176.858.10000109.4
612I27Very low28.9Very low155 Ų155134.8 Ų134.880%0.79576%0.756SS**  trans173.4127.8142.8-92.9149.7000107.7
613D28.5Very low28.6Very low161 Ų161138.2 Ų138.286%0.86176%0.758SS**  -157.2140.6121.6-114-25.8000110.9
614M26.3Very low28.5Very low152 Ų152136.2 Ų136.275%0.74975%0.748SS**  trans-113.8-173.7179.5-117.9-169.47500107.7
615P40.7Very low28.3Very low93 Ų93141.1 Ų141.160%0.60475%0.754SS**  cis-143.2176.917.345.6-27.6000117.6
616N30Very low28.1Very low137 Ų137141 Ų14173%0.73375%0.749SS**  trans66.5155.2147.5-64.7-17.7000120.3
617S25.4Very low27.9Very low102 Ų102142.8 Ų142.871%0.71375%0.752SS**  cis-172.9166.5-24.4-176.80000108.7
618M29.6Very low27.7Very low173 Ų173144 Ų14485%0.85275%0.75SS**  trans91.9144.4175.4-57.5179.2-179.400118.1
619M27.3Very low27.6Very low146 Ų146143.2 Ų143.272%0.71974%0.744SS**  cis-168.9125.3-30.2-113.2-173.686.100108.5
620F27.2Very low27.3Very low170 Ų170141.5 Ų141.575%0.74674%0.741SS**  trans60.4162.6160.7-68.5-101.5000117
621D26.5Very low27.1Very low130 Ų130137.7 Ų137.770%0.69573%0.727SS**  cis-148.9172.210.3-137.8-32.7000113.5
622S27.9Very low27Very low93 Ų93138 Ų13865%0.6572%0.719SS**  trans11156.8153.771.10000123
623E27.3Very low26.9Very low158 Ų158138.6 Ų138.674%0.73872%0.716SS**  cis-178.2152-15.3-109.6-163.9-142.200108.6
624N26.1Very low26.8Very low116 Ų116136.8 Ų136.862%0.6271%0.706SS**  trans47.3174.9143.7-74.5-38.3000122.1
625W24.8Very low26.9Very low213 Ų213135.8 Ų135.881%0.80770%0.704SS**  cis-143168.3-17.9-113.1114.3000107.9
626N25.9Very low26.4Very low126 Ų126135.5 Ų135.567%0.67470%0.704SS**  trans-31.8138.3177.3-85-19.1000123
627V25.6Very low26.4Very low110 Ų110135.5 Ų135.567%0.66770%0.704SS**  82.8133.6124.6173.90000121.6
628F24.6Very low26.7Very low187 Ų187136.7 Ų136.782%0.8270%0.702SS**  trans42.2101.6169.3-64.6-50.9000117.6
629S25Very low26.7Very low94 Ų94134.3 Ų134.366%0.65769%0.691SS**  76.6119.774-68.90000114.3
630L24Very low27Very low155 Ų155135.1 Ų135.181%0.81269%0.691SS**  trans70.6134.6160.3-86.679.6000116.3
631D23.6Very low27.2Very low121 Ų121132.8 Ų132.865%0.64769%0.686SS**  cis-168.6172.7-6.9-154.3-3.1000112.4
632I24.4Very low27.4Very low106 Ų106132.4 Ų132.454%0.54468%0.684SS.*  trans78.9130.7136.4-102.3163000121.8
633K24.2Very low27.6Very low168 Ų168136.1 Ų136.173%0.7369%0.689SS**  trans69.1160.2153.8-71.4172.1-153.2122.90117.5
634N26.3Very low27.8Very low123 Ų123134.3 Ų134.366%0.65869%0.689SS**  cis-134169.92.3-126.514.8000107.3
635D28.7Very low27.9Very low130 Ų130134.8 Ų134.870%0.69570%0.696SS**  cis-145.9164.324.7-92.5-58.1000108.8
636S30.3Very low28.1Very low87 Ų87130.2 Ų130.261%0.60869%0.692SS**  cis-156.8147.717270000112.3
637N30.5Very low27.9Very low137 Ų137129.1 Ų129.173%0.73369%0.694SS**  trans65.3136.4140.1-57.8-12.7000120.3
638L30.6Very low27.9Very low128 Ų128130 Ų13067%0.6770%0.699SS**  cis-163.4150-3.1-141.182.4000109.9
639I30.3Very low27.8Very low123 Ų123126.8 Ų126.863%0.63170%0.699SS**  trans43.1130.5131-86.5170.5000119.1
640K32.9Very low27.8Very low163 Ų163130.1 Ų130.171%0.70971%0.709SS**  cis-172.7178.226-101.8167.7-160.4160.40107.3
641N31.2Very low27.8Very low121 Ų121129.1 Ų129.165%0.64770%0.703SS**  cis-165.9173.6-4.8-123.70.6000111.9
642N32Very low27.7Very low122 Ų122129.4 Ų129.465%0.65271%0.705SS**  trans70.7114.2143.4-71.6-12.7000124.6
643K31.9Very low27.7Very low171 Ų171129.7 Ų129.774%0.74371%0.712SS**  88.2116.8124.4-72.4-174.4175.5-172.60123.6
644T30.1Very low27.6Very low120 Ų120126.9 Ų126.974%0.73671%0.709SS**  trans62.9146.6132.160.40000121
645T29.7Very low27.5Very low125 Ų125126.5 Ų126.577%0.76771%0.711SS**  cis-162.7163.9-5.613.40000112.7
646T27.9Very low27.2Very low118 Ų118126 Ų12672%0.72471%0.708SS**  trans-20.2131.116752.20000123.4
647S23Very low27.1Very low103 Ų103130.4 Ų130.472%0.7271%0.713SS**  64.9150.5115.5-490000125.9
648T25.3Very low27.1Very low127 Ų127128.2 Ų128.278%0.77971%0.708SS**  trans77.4113.4150.338.20000123.2
649C22.5Very low27.1Very low120 Ų120130.4 Ų130.481%0.81171%0.707SS**  61.6155.3128.7-63.20000123.9
650L25.5Very low27.1Very low165 Ų165130 Ų13086%0.86470%0.702SS**  trans90.4156.9163.7-67.1172.1000119.9
651L23Very low26.9Very low134 Ų134129.9 Ų129.970%0.70270%0.702SS**  trans-54152.5-162.7-90.366000118.1
652N22.6Very low27.4Very low126 Ų126129.6 Ų129.667%0.67471%0.707SS**  trans65.5131.7133.7-68.813.6000121.7
653T22.7Very low27.4Very low113 Ų113127.9 Ų127.969%0.69370%0.701SS**  37.7135.3129.2720000120.2
654T22.8Very low27.4Very low108 Ų108127.4 Ų127.466%0.66371%0.706SS**  cis-178.3175.6-5.728.40000105.6
655T24.1Very low27.3Very low115 Ų115128.1 Ų128.171%0.70671%0.705SS**  trans66.2153.6145.243.10000117.1
656D23.4Very low27.3Very low119 Ų119129.7 Ų129.764%0.63670%0.704SS**  cis-157-163.7-9.2-132.7-31.3000110.7
657Y26.9Very low27.4Very low181 Ų181128.6 Ų128.671%0.7170%0.701SS**  trans86.1137.3152.8-64-60.5000116.3
658S30.1Very low27.7Very low90 Ų90130.4 Ų130.463%0.62970%0.702SS**  cis-152.5166.27.9-900000109
659R31.1Very low27.9Very low174 Ų174130 Ų13066%0.65770%0.695SS**  cis-172.1175.9-6.4-101.4162.5-163.7-108.5-0.6105.8
660H31Very low28.1Very low114 Ų114131.1 Ų131.153%0.52869%0.688SS.*  cis-157.7141.81.5-116.3-33.2000106.1
661F29.1Very low28.3Very low162 Ų162131.1 Ų131.171%0.71168%0.684SS**  74.5154.788.2-79.1-142.8000115.2T663F661-T663 HydrophobicContact CD1-CG2 3.36Å; F661-T663 HydrophobicContact CE1-CG2 3.56Å; F661-T663 HydrophobicContact CG-CG2 4.19Å
662P41.2Very low28.7Very low115 Ų115132.3 Ų132.375%0.74769%0.686SS**  cis-107.215019.37.916.9000114.8
663T31.1Very low28.9Very low86 Ų86131.8 Ų131.853%0.52868%0.683SS.*  67140.267.271.50000115F661F661-T663 HydrophobicContact CD1-CG2 3.36Å; F661-T663 HydrophobicContact CE1-CG2 3.56Å; F661-T663 HydrophobicContact CG-CG2 4.19Å
664L31.5Very low29.4Very low160 Ų160134.9 Ų134.984%0.83868%0.683SS**  cis-123.9-156.527.1-68.2159.2000114.6
665D29.3Very low29.6Very low135 Ų135136.2 Ų136.272%0.72269%0.686SS**  trans-123.9-148.3-150.4-51.5-91.1000111.5
666E30.2Very low29.8Very low158 Ų158142 Ų14274%0.73870%0.695SS**  cis-166.6175.710.9-148.4-132.293.500112.5
667S30Very low30.5Very low96 Ų96141 Ų14167%0.67170%0.695SS**  trans66.2150.816474.20000122
668L29.2Very low30.7Very low141 Ų141138.5 Ų138.574%0.73870%0.701SS**  cis-165142.8-24.3-96.2173.4000109.5
669N28.1Very low30.5Very low117 Ų117140.5 Ų140.563%0.62671%0.709SS**  trans56.7159.3145.2-63.331.9000122.8
670E27.5Very low30.9Very low144 Ų144137.3 Ų137.367%0.67371%0.711SS**  cis-170.3159.6-29.9-108.8161178.300110.9
671E29.3Very low30.7Very low166 Ų166137.7 Ų137.778%0.77672%0.723SS**  trans56.8161.1153.9-66.7-177.7169.600121.4
672E30.8Very low30.8Very low159 Ų159136.5 Ų136.574%0.74373%0.732SS**  cis-151.3138.4-13.8-126.1-162.4169.700113.2
673D28.2Very low30Very low115 Ų115138.3 Ų138.362%0.61572%0.724SS**  trans37.8168.1137.9-132.1-16.4000128.5
674Y31.5Very low29.8Very low177 Ų177139.2 Ų139.269%0.69473%0.734SS**  trans8286.4158.1-71.9-68000126.4
675L27.4Very low29.5Very low137 Ų137135.6 Ų135.672%0.71773%0.727SS**  52.2115.5126.1-62.4-176.1000125.7
676R28.6Very low29.2Very low237 Ų237135 Ų13589%0.89473%0.733SS**  88.8156.4125.9-82.3-163.3172.1-157.1-1.1123.3
677P39.3Very low29Very low98 Ų98133.7 Ų133.764%0.63674%0.736SS**  trans-124.2177.5-160.445.3-32.3000115.7
678P31Very low28.8Very low128 Ų128136.6 Ų136.683%0.83174%0.743SS**PPolyproline II helixtrans-84.4137162.533.4-32.7000113.1
679T26Very low28.6Very low132 Ų132135.6 Ų135.681%0.8175%0.747SS**PPolyproline II helixtrans-93.3161170.131.70000112.4
680P38Very low28.5Very low107 Ų107135.5 Ų135.570%0.69576%0.755SS**PPolyproline II helixtrans-93.1158.3-16636.4-37.1000115.2
681P27.7Very low28.8Very low121 Ų121134.7 Ų134.779%0.78676%0.763SS**PPolyproline II helixtrans-80.8163.6165.833.6-33.6000113.1
682P30.7Very low28.8Very low137 Ų137130.2 Ų130.289%0.8976%0.761SS**  trans-104.2-168.6-15641.2-37.6000115.8
683R25.2Very low28.8Very low153 Ų153130.8 Ų130.858%0.57777%0.766SS**  trans-123.7139.5-163.1-159.6-160.6-156.5123.4-2.6112.7P17P17-R683 PolarHBondContact O-NH1 3.37Å
684S26.5Very low29.5Very low105 Ų105130.9 Ų130.973%0.73477%0.773SS**  trans90.7149.8153.2-22.20000120.6
685A24.2Very low29.5Very low85 Ų85125.9 Ų125.970%0.70278%0.775SS**  trans82.792.6147.200000120.9
686S23.9Very low29.7Very low121 Ų121122.6 Ų122.685%0.84677%0.768SS**  44.798.1121.8-50.50000121.3
687T26.9Very low29.7Very low132 Ų132120.5 Ų120.581%0.8177%0.765SS**  trans-155.2138.2136.111.40000112.9
688L24.3Very low29.2Very low156 Ų156123.5 Ų123.582%0.81777%0.769SS**  trans35140.6144-72.4161.1000123.2
689C25.3Very low29.1Very low121 Ų121121.6 Ų121.682%0.81875%0.754SS**  trans77.5116.3154.2-64.10000120
690S27.3Very low29.3Very low114 Ų114120.8 Ų120.880%0.79775%0.75SS**  trans-88.3176.7160.8-39.10000110.5
691P33.6Very low28.6Very low127 Ų127123.2 Ų123.283%0.82575%0.75SS**  -123.6171.1-8934.4-17.9000113.6
692G28.4Very low28.7Very low73 Ų73122.6 Ų122.675%0.75375%0.745SS**  trans-135.5111.8171.100000111.7
693M30.7Very low28.7Very low171 Ų171122.9 Ų122.984%0.84274%0.74SS**  trans-162.6161.3-175.3-86-89.486.300107.8
694P42.9Very low28.7Very low117 Ų117124 Ų12476%0.7675%0.751SS**  cis-138.4-162.4-2540.7-23.3000111.8
695G31Very low28.8Very low72 Ų72125.8 Ų125.874%0.74275%0.751SS**  trans151.3145.9150.100000113.4
696A32Very low29Very low67 Ų67127 Ų12755%0.55475%0.754SS**  cis-158166.5-19.200000106.9F698A696-F698 HydrophobicContact CB-CD2 4.05Å; A696-F698 HydrophobicContact CB-CE2 3.94Å
697F29.2Very low29.1Very low194 Ų194128.5 Ų128.585%0.85175%0.752SS**  166.916689.9-97.9-98.7000107.2
698F28.9Very low29.1Very low160 Ų160129.2 Ų129.270%0.70275%0.751SS**  cis177.1176.1-45.8-104.9-36.3000108.1A696A696-F698 HydrophobicContact CB-CD2 4.05Å; A696-F698 HydrophobicContact CB-CE2 3.94Å
699V29Very low29.1Very low88 Ų88129 Ų12953%0.53376%0.756SS.*  cis-102.8-101.64.3-159.20000110.8F701V699-F701 HydrophobicContact CG1-CD1 3.86Å; V699-F701 HydrophobicContact CG1-CE1 3.59Å; V699-F701 HydrophobicContact CG1-CZ 4.07Å
700T28.7Very low29.2Very low116 Ų116130.3 Ų130.371%0.71275%0.753SS**  cis-167.1128.4-9.3-31.20000106.3
701F24.5Very low29.3Very low158 Ų158131 Ų13169%0.69375%0.753SS**  cis-150.2171.1-18-115.3-29000106.8V699V699-F701 HydrophobicContact CG1-CD1 3.86Å; V699-F701 HydrophobicContact CG1-CE1 3.59Å; V699-F701 HydrophobicContact CG1-CZ 4.07Å
702P30.5Very low28.8Very low107 Ų107129 Ų12970%0.69574%0.742SS**  cis-146.316142.641.5-21.2000119.5
703N30.7Very low28.7Very low144 Ų144133.3 Ų133.377%0.7774%0.74SS**  trans67.3147.6147.3-63.62.9000120.9
704H25Very low28.6Very low176 Ų176132 Ų13282%0.81574%0.737SS**  trans-153.9170.1-164.1-122.3-88.7000108.8
705I28.8Very low27.7Very low142 Ų142133.2 Ų133.273%0.72873%0.732SS**  trans78.192.3152.8-70.5162.9000117.3
706S26.7Very low27.8Very low111 Ų111136.4 Ų136.478%0.77674%0.737SS**  95.5152.4116-63.10000122.3
707L27.2Very low27.6Very low153 Ų153138 Ų13880%0.80175%0.751SS**  trans-89.6156.5-178.1-80.8155.8000112.5
708N25.9Very low27.7Very low147 Ų147132 Ų13279%0.78674%0.743SS**  trans-73.8160.6-176.4-62.8-25.5000114.5
709T25.9Very low27.7Very low150 Ų150134.1 Ų134.192%0.9275%0.748SS**  trans-139.7152146.8-65.70000108
710I26.2Very low27.7Very low149 Ų149138.5 Ų138.576%0.76477%0.767SS**  trans-114.4124.2-161.6-61.6167000112.1
711T28.9Very low27.6Very low128 Ų128139.6 Ų139.679%0.78576%0.764SS**  trans-161118.9150.544.30000106.6
712S23.8Very low27.8Very low85 Ų85138.4 Ų138.459%0.59476%0.763SS**  cis98.6137.138.369.70000112.9
713F26.9Very low27.6Very low165 Ų165141 Ų14172%0.72477%0.771SS**  trans75.7139.6-170.1-61.9-89.6000114.8Q715F713-Q715 HydrophobicContact CD1-CG 4.41Å
714D27Very low27.4Very low143 Ų143139.2 Ų139.277%0.76577%0.77SS**  cis-104.9160.1-5.9-77.4-46.8000111.1
715Q26Very low28.3Very low142 Ų142135.5 Ų135.566%0.66476%0.762SS**  cis88.4141.833.1-71.6-148.520.600117.3F713F713-Q715 HydrophobicContact CD1-CG 4.41Å
716T31.1Very low28.4Very low139 Ų139139.6 Ų139.685%0.85377%0.77SS**  trans79.1147.3-176.773.60000118.1
717A29.3Very low28.5Very low102 Ų102139.6 Ų139.684%0.84377%0.769SS**  cis-167.5150.2-33.200000110
718G30.2Very low28.7Very low67 Ų67137.2 Ų137.269%0.69177%0.766SS**  trans122.583.5170.200000114.5
719Y28.8Very low28.9Very low205 Ų205139 Ų13980%0.80477%0.77SS**  59.7101.387.9-84.2-84.1000116.8
720I29.8Very low29.2Very low179 Ų179136.8 Ų136.892%0.91876%0.757SS**  -130.3145.4117.5-68.9-169.1000108.2
721Q26.6Very low29.3Very low139 Ų139135.6 Ų135.665%0.6576%0.761SS**  trans-137.4147.8-179.1-158.4-169.5-200103.5
722I28.5Very low29.5Very low133 Ų133134.9 Ų134.968%0.68276%0.758SS**  -171.413859.1-72.1159000107.6
723N26.8Very low29.7Very low161 Ų161135.3 Ų135.386%0.86176%0.762SS**  -173.6146.8129.9-103.2-23.5000112.1
724S26.4Very low29.9Very low107 Ų107133.8 Ų133.875%0.74877%0.768SS**  trans-165.3-174.8-170.6-147.60000110.3
725P43.4Very low30Very low98 Ų98132.4 Ų132.464%0.63677%0.77SS**  -121-126.4-9441.2-24.5000112.7
726Y30Very low30.4Very low229 Ų229131 Ų13190%0.89878%0.776SS**  trans75.6138.9-170.4-57-79.4000114.7
727S29.9Very low30.3Very low110 Ų110131.1 Ų131.177%0.76978%0.776SS**  cis-149.4173.8-12.765.10000107.5
728S32.1Very low30.5Very low104 Ų104131 Ų13173%0.72777%0.767SS**  cis-153.2132.316.449.80000108.2
729Q29.1Very low30.6Very low185 Ų185135 Ų13586%0.86477%0.771SS**  81.6159.692.8-119.5-149.51600114.5
730P31.3Very low30.6Very low102 Ų102130.7 Ų130.766%0.66277%0.766SS**  -132.4177.1-93.743.3-29.1000116.5
731C28.7Very low30.6Very low124 Ų124128.1 Ų128.184%0.83875%0.754SS**  trans-68.1147.4165.3-51.50000112.7
732P33.5Very low30.7Very low113 Ų113128.9 Ų128.973%0.73476%0.762SS**  trans-104.9125.9162.734.8-27.9000113.6
733S27.7Very low30.7Very low95 Ų95127 Ų12766%0.66476%0.76SS**  trans42.6124.9141.8610000122.3
734P32Very low30.9Very low133 Ų133125.3 Ų125.386%0.86476%0.756SS**  trans-78139.6146.433.9-30.9000110.7
735S29Very low30.9Very low114 Ų114125 Ų12580%0.79775%0.753SS**  trans-160.1142.5161.662.20000111.7
736S33.6Very low30.1Very low112 Ų112124.5 Ų124.578%0.78375%0.752SS**  trans-162.6144.5166.262.70000110.4
737T28.7Very low30Very low141 Ų141116.7 Ų116.787%0.86573%0.731SS**  trans171.5163.9168.617.90000107.2
738P34.3Very low29.8Very low99 Ų99118 Ų11864%0.64373%0.729SS**  cis-132.2172.59.342.9-27.9000116.5
739I31.7Very low29.7Very low152 Ų152115.8 Ų115.878%0.77971%0.713SS**  trans63.1123.9142.7-73.7163.6000117.3
740T29.9Very low29.7Very low114 Ų114113.8 Ų113.870%0.69970%0.698SS**  cis-142.91597.646.70000110
741N28.8Very low29.6Very low125 Ų125115.5 Ų115.567%0.66870%0.701SS**  cis-163.2142.9-9.3-110.1-10.7000109.8
742L29.6Very low29.8Very low155 Ų155118.2 Ų118.281%0.81270%0.701SS**  trans59.7142.4148.9-57.9165.4000120
743S28Very low29.9Very low93 Ų93117.7 Ų117.765%0.6570%0.698SS**  cis-177.1160.7-14.354.50000111.9
744V30.4Very low30.1Very low126 Ų126118.4 Ų118.476%0.76470%0.703SS**  trans69.9107.1162.4-175.90000115.5
745S28.4Very low30.1Very low100 Ų100124 Ų12470%0.69971%0.707SS**  69.8144.253.681.80000115.1
746S26.1Very low30Very low88 Ų88122 Ų12262%0.61570%0.697SS**  cis177.7139.9-14.448.70000109.8
747S26.7Very low29.8Very low65 Ų65123.6 Ų123.646%0.45569%0.692SS.*  trans68.4164.4168.281.60000117S210S210-S747 CarbonylContact O-C 3.34Å; S210-S747 VanDerWaalsContact O-C 3.27Å; S210-S747 VanDerWaalsContact O-CA 3.23Å; S210-S747 WeakPolarHBondContact O-CA 3.3Å
748L27.4Very low29.7Very low137 Ų137122.8 Ų122.872%0.71769%0.687SS**  cis-120.7-156.75.5-65.187.2000112.5S210 N211S210-L748 CarbonylContact C-O 3.59Å; S210-L748 VanDerWaalsContact O-O 3.12Å; N211-L748 VanDerWaalsContact N-C 3.28Å; N211-L748 PolarHBondContact N-O 3.29Å; N211-L748 CarbonylContact O-C 3.58Å; N211-L748 WeakPolarHBondContact O-CA 3.38Å
749S28Very low29.3Very low58 Ų58124.7 Ų124.741%0.40669%0.69SS.*  trans-138.9171.1174.183.30000115N211 T212 N213N211-S749 PolarHBondContact O-N 3.06Å; T212-S749 VanDerWaalsContact CA-OG 3.24Å; T212-S749 WeakPolarHBondContact CA-OG 3.01Å; T212-S749 PolarHBondContact N-OG 2.99Å; T212-S749 WeakPolarHBondContact O-CB 3.46Å; T212-S749 PolarHBondContact O-N 2.97Å; T212-S749 PolarHBondContact O-OG 3.47Å; N213-S749 PolarHBondContact N-OG 3.28Å
750R29.6Very low29.1Very low143 Ų143125.4 Ų125.454%0.5469%0.69SS.*  trans82.888.9167.3-74.2-176.8174.3165.62.5119.5N213N213-R750 PolarHBondContact OD1-NH1 3.05Å; N213-R750 VanDerWaalsContact OD1-NH1 3.08Å
751N29.4Very low29.3Very low138 Ų138124.3 Ų124.374%0.73869%0.685SS**  72.7107.1117.2-625000122
752H33.7Very low29Very low181 Ų181125 Ų12584%0.83869%0.689SS**  trans70.4167.1135-99.1-116000118.8
753P35.6Very low29.1Very low102 Ų102122.5 Ų122.566%0.66268%0.684SS**  cis-128.3168.70.841.6-26.5000117
754S30.8Very low29.1Very low110 Ų110128.6 Ų128.677%0.76969%0.693SS**  trans23.8119.5149.961.20000121.6
755R32.2Very low28.8Very low251 Ų251133 Ų13395%0.94770%0.696SS**  trans-144.4144.9143.6-172.1170.5178.8162.6-0.4109.7
756A27.6Very low28.7Very low72 Ų72133.6 Ų133.660%0.59570%0.695SS**  trans-130.6158.6-176.500000112.3
757H29.6Very low28.6Very low146 Ų146138.1 Ų138.168%0.67671%0.706SS**  trans61.5142.8178-45.1-90000114.3D228D228-H757 IonicContact OD2-CE1 3.54Å; D228-H757 PolarHBondContact OD2-CE1 2.9Å
758V26.1Very low28.5Very low123 Ų123146.3 Ų146.375%0.74573%0.727SS**  -172.4135.270.5153.40000109.7
759I26.6Very low28.6Very low139 Ų139144.2 Ų144.271%0.71372%0.724SS**  trans59.8111.3157.1-69.5168.3000119.4
760Q26.7Very low28.7Very low167 Ų167148.8 Ų148.878%0.7874%0.739SS**  46.117199.2-92.1-17135.400120.2
761P33.2Very low28.5Very low91 Ų91151.2 Ų151.259%0.59175%0.75SS**  cis-135.4175.35.119.96.7000117.3
762N23.7Very low28.5Very low141 Ų141153.6 Ų153.675%0.75475%0.75SS**  trans38.1119.2142.4-58.9-28.5000121.1
763S32.2Very low28.3Very low102 Ų102149.5 Ų149.571%0.71374%0.738SS**  -173.3113.3103.2-84.60000116.6
764R26.6Very low28Very low221 Ų221152.7 Ų152.783%0.83474%0.744SS**  53.8132.4126.5-59.5-179.9177.7-168.9-0.1122.1
765R25.2Very low27.9Very low217 Ų217155.5 Ų155.582%0.81975%0.745SS**  trans73.7117.2133.7-85-171.6176.8-178.6-1.9121.1
766T24.8Very low27.8Very low113 Ų113150.7 Ų150.769%0.69374%0.736SS**  47.4126127.9620000121.5
767H24Very low27.8Very low183 Ų183155 Ų15585%0.84774%0.744SS**  trans38.9112.3142.7-69.7-96.4000119.4
768R25.9Very low27.7Very low237 Ų237152.9 Ų152.989%0.89474%0.741SS**  -153.4137.6113.4-127.4179.2-179.5173.71113.4
769S28Very low27.8Very low94 Ų94153.6 Ų153.666%0.65774%0.741SS**  trans-93.9-175160.253.10000110
770Q30.1Very low27.7Very low154 Ų154153.1 Ų153.172%0.7274%0.739SS**  trans101.9117.5163.8-59.1178.1-25.300117.7
771Y26.8Very low27.8Very low194 Ų194153 Ų15376%0.76174%0.738SS**  -89.1121.8114.9-81.9-89.9000106.2
772Y28.6Very low27.4Very low188 Ų188153 Ų15374%0.73774%0.74SS**  74.4120.896-99.3-120.5000113
773T29.1Very low27.4Very low95 Ų95154 Ų15458%0.58375%0.745SS**  cis-161.6158.62.8-9.30000114.9
774Q31Very low27.1Very low168 Ų168154 Ų15479%0.78575%0.745SS**  trans69.1149.4156.1-67.9174.2800120
775Q28Very low27Very low170 Ų170150.3 Ų150.379%0.79474%0.742SS**  cis-170.2178.4-44.5-126.6176.1-36.300110.9
776I29.3Very low26.9Very low150 Ų150145.2 Ų145.277%0.76974%0.739SS**  trans90.6111.3164.8-67.5167.8000117.8
777H27.9Very low27Very low162 Ų162148.2 Ų148.275%0.7574%0.743SS**  trans60109.8158.6-71.1-112.8000119.5
778T28.7Very low27Very low101 Ų101148.3 Ų148.362%0.6274%0.744SS**  75.8139.855.968.50000114.1
779D27.4Very low26.9Very low138 Ų138145.5 Ų145.574%0.73874%0.742SS**  cis-177178.9-5.4-100.8-15.2000107.9
780L25.6Very low27.1Very low130 Ų130149.6 Ų149.668%0.68175%0.751SS**  cis-163.1179.4-0.3-123.7169.8000111.4
781H28.6Very low26.7Very low163 Ų163151.2 Ų151.276%0.75576%0.756SS**  trans75169.8153.4-83.8-57.1000122.9
782S24.1Very low26.6Very low92 Ų92146 Ų14664%0.64375%0.749SS**  trans-164.6144.4-144.758.20000116.1
783L24.2Very low26.6Very low163 Ų163144.5 Ų144.585%0.85375%0.748SS**  trans44121.1156.2-79.281.3000120.7
784S24.5Very low26.6Very low102 Ų102146.1 Ų146.171%0.71375%0.753SS**  162.4167.198.554.90000114.8
785N24.3Very low26.4Very low143 Ų143142.2 Ų142.277%0.76574%0.744SS**  trans71.194.1159.6-63.5-4.6000121.7
786S23.2Very low26.5Very low109 Ų109140.3 Ų140.376%0.76274%0.744SS**  31.1117.4123.161.50000121
787K28.1Very low26.6Very low177 Ų177139.9 Ų139.977%0.7775%0.748SS**  trans-161139.6142.3-118.7172.9-177.7-179.70111.6
788E22.8Very low26.5Very low185 Ų185139.1 Ų139.186%0.86475%0.749SS**  trans-84.7136.7154.1-70.5-179.3109.200109
789M24.5Very low26.8Very low177 Ų177139.2 Ų139.287%0.87275%0.752SS**  176.2137.5109.4-98-175.8138.400110.1
790Q31.7Very low27Very low180 Ų180136.7 Ų136.784%0.84175%0.751SS**  trans-94.2150.4172.8-58.3170.8-2000110
791F23.2Very low27Very low189 Ų189135.7 Ų135.783%0.82975%0.753SS**  trans-164143.1145-88.7-79.7000106.7
792S24.1Very low27Very low85 Ų85136.6 Ų136.659%0.59476%0.755SS**  cis-175.8-158-13.443.20000110.9
793E27.7Very low27.2Very low156 Ų156137.9 Ų137.973%0.72975%0.753SS**  trans94128.9158.7-55.3-157.1-160.500116.4
794N28.7Very low27.9Very low128 Ų128135.3 Ų135.368%0.68475%0.746SS**  cis-161.8161.31.2-102.9-13.1000109.8
795S27.7Very low28.5Very low86 Ų86135.5 Ų135.560%0.60175%0.745SS**  cis176.3165.1-10.649.80000112.6
796V29.4Very low28.5Very low131 Ų131134.3 Ų134.379%0.79474%0.743SS**  trans73.4139.6162.3-155.80000114.4
797V32.5Very low28.6Very low141 Ų141135.8 Ų135.886%0.85574%0.743SS**  cis-124.5153.324.4-1510000114.8
798D24.6Very low28.4Very low145 Ų145131.5 Ų131.578%0.77574%0.735SS**  trans-107.7-163.1-176.3-138.7-0.8000109.4
799P36.3Very low28.7Very low103 Ų103132.1 Ų132.167%0.66974%0.735SS**  cis-138.2-177.5-15.138.5-18.7000116.6
800A30.4Very low28.7Very low86 Ų86129.8 Ų129.871%0.71173%0.727SS**  trans74.8154.2148.800000120.2
801C25.9Very low28.3Very low108 Ų108125 Ų12573%0.7371%0.713SS**  cis-168.2172.9-22.5-101.40000110.8
802F29.3Very low28.6Very low183 Ų183124.6 Ų124.680%0.80371%0.713SS**  trans70.8116.7158.2-75.9-70.4000122.9
803I28.4Very low28.9Very low118 Ų118128.4 Ų128.461%0.60572%0.722SS**  45.9130.2124.6-65.1-177.2000121.5
804P38.1Very low29.1Very low109 Ų109126.9 Ų126.971%0.70873%0.726SS**  trans-97.1-167.4169.645.5-39.9000111.7
805P38.7Very low29Very low106 Ų106129.4 Ų129.469%0.68873%0.726SS**  cis-139-152.1341.5-19.4000114.5
806T23.7Very low28.8Very low118 Ų118132.3 Ų132.372%0.72473%0.727SS**  trans86.4154.8151.1270000122.3
807D25.5Very low28.7Very low140 Ų140131.9 Ų131.975%0.74972%0.719SS**  trans73.796.6160.3-63.7-5.4000121.9
808S23.5Very low28.5Very low88 Ų88132.8 Ų132.862%0.61572%0.717SS**  39.8132.7123.367.10000120.6
809F28.6Very low28.5Very low197 Ų197131.8 Ų131.886%0.86472%0.716SS**  -163.915493.2-113.7-85.3000115
810N24.4Very low28.2Very low129 Ų129132.8 Ų132.869%0.6973%0.725SS**  trans-54.2152-179.7-1567.5000116.3
811S23.5Very low28.2Very low79 Ų79137.6 Ų137.655%0.55273%0.733SS**  trans45.6128.1143.266.20000121.9
812Q29.2Very low28.7Very low180 Ų180137.6 Ų137.684%0.84173%0.732SS**  179.6142.6102.4-95.7170.931.700112.8
813Q31.9Very low28.5Very low166 Ų166136.1 Ų136.178%0.77673%0.732SS**  trans-89.1157.2148.8-69.3-174.6-20.400107.8
814P31.5Very low28.5Very low124 Ų124137.8 Ų137.881%0.80574%0.741SS**  -137.9163.6101.736.5-24.8000116.4
815R25.6Very low28.1Very low181 Ų181140 Ų14068%0.68374%0.742SS**  trans-61.3-177.3174.4-43167.9179.9165.9-8.5111.6
816F24.6Very low27.5Very low146 Ų146142.1 Ų142.164%0.6475%0.746SS**  cis-178.5166.339.8-125.2-28.8000113.2
817I26Very low27.7Very low122 Ų122146.4 Ų146.463%0.62676%0.755SS**  trans67.5109.4142.9-69.4160000120.1
818M29Very low27.7Very low161 Ų161144.2 Ų144.279%0.79375%0.75SS**  -170.1164.6104.9-116-70.3111.200111.4
819T23.8Very low27.9Very low123 Ų123145.3 Ų145.376%0.75575%0.753SS**  trans-145.4142.5-170.550.50000112.5
820S30.6Very low28Very low124 Ų124143.1 Ų143.187%0.86775%0.751SS**  trans-160.5169.2160.851.50000112.2
821Q29.6Very low28Very low188 Ų188144.8 Ų144.888%0.87976%0.759SS**  trans-114.4-136.2-167.2-63.5179.5-50.600113.4
822P37.8Very low28.8Very low108 Ų108145.5 Ų145.570%0.70176%0.761SS**  -128.4179.4-120.940.5-20.2000116.6
823N24.1Very low28.9Very low152 Ų152144.3 Ų144.381%0.81376%0.761SS**  trans18.2125.9153-65.8-15.2000120.4
824I29.7Very low28.8Very low153 Ų153141 Ų14179%0.78576%0.761SS**  trans-156.6124.9138.4-111.3154.2000113.8
825Q28.6Very low28.7Very low156 Ų156141.6 Ų141.673%0.72976%0.763SS**  trans59.7119.4146.6-61.1-179.116.100125.1
826L25.9Very low28.9Very low150 Ų150139.4 Ų139.479%0.78577%0.769SS**  52.9117.6119.4-55.4167.7000120.9
827K28Very low28.9Very low208 Ų208137.9 Ų137.990%0.90478%0.775SS**  -163.7-169.685-125.3172.9-176.6177.80112.3
828S26Very low28.9Very low93 Ų93136.8 Ų136.865%0.6578%0.778SS**  trans-113.8179.4-154.959.70000116
829T28.5Very low28.9Very low111 Ų111134.6 Ų134.668%0.68178%0.775SS**  trans77.9109.8148.834.30000119.9
830D30Very low29.2Very low152 Ų152136.2 Ų136.281%0.81378%0.778SS**  trans97.9156.7133.1-52.4-20.9000122.4
831L24.7Very low29.1Very low164 Ų164134 Ų13486%0.85978%0.775SS**  trans-122.2-178.5-160.2-120.970.9000109.5
832P40.6Very low29.1Very low93 Ų93129 Ų12960%0.60477%0.774SS**  cis-141.3-179.4-13.139.3-20.2000116.7
833N29.9Very low28.7Very low156 Ų156128.2 Ų128.283%0.83478%0.777SS**  trans62.2122.3146.8-64.6-18.2000123.6
834A30.4Very low29Very low95 Ų95127.7 Ų127.779%0.78577%0.774SS**  157.4108.3101.100000117.9
835V29.6Very low29Very low137 Ų137125.5 Ų125.583%0.8377%0.768SS**  trans28.6133.5138.1-147.30000123.6
836V28.8Very low28.9Very low135 Ų135128.9 Ų128.982%0.81877%0.774SS**  161.3152.5122.21630000114.1
837C25.3Very low29.1Very low114 Ų114127.6 Ų127.677%0.7777%0.768SS**  trans-80.7-168-169.9-46.30000115
838S26.2Very low28.9Very low99 Ų99122.9 Ų122.969%0.69276%0.757SS**  cis-169.2-176.817.3-152.50000114.9
839T29.7Very low29Very low116 Ų116127.8 Ų127.871%0.71277%0.766SS**  trans77148.1165.874.90000119.1
840N29.8Very low28.8Very low156 Ų156129.2 Ų129.283%0.83477%0.77SS**  cis-159.9153.1-19.1-111.5-8.8000113.3
841G28.8Very low28.5Very low78 Ų78128.4 Ų128.480%0.80476%0.764SS**  trans83.5121.2168.100000115.6
842G28Very low28.5Very low83 Ų83126.5 Ų126.586%0.85676%0.76SS**  cis107.1134.7300000112.3
843A29.2Very low27.7Very low92 Ų92128.8 Ų128.876%0.7677%0.765SS**  cis-112.2-148.93.200000110.7
844N31.3Very low27.4Very low141 Ų141133.6 Ų133.675%0.75477%0.772SS**  cis-140.7153.38.1-109.8-13.7000108
845V29.7Very low27.1Very low107 Ų107137 Ų13765%0.64878%0.776SS**  64.2113.464.1-173.80000113.4
846W27.5Very low27Very low226 Ų226133 Ų13386%0.85676%0.763SS**  cis-166.2161.4-7.5-109.612.1000106.5
847N28.2Very low27.1Very low123 Ų123131.8 Ų131.866%0.65876%0.761SS**  cis-152.6166-19.1-143.7-14.6000109.1
848T24.9Very low27.2Very low110 Ų110133.3 Ų133.368%0.67576%0.762SS**  trans-114.5-171.3170.1560000109
849K28.9Very low27.2Very low196 Ų196133.6 Ų133.685%0.85276%0.762SS**  cis-169179.430.1-142.6160.7-160.7172.10112.3
850N23.7Very low27Very low141 Ų141137.6 Ų137.675%0.75477%0.77SS**  trans-97.9147.5-177.5-81.3-37.9000114
851I23.6Very low26.8Very low134 Ų134140 Ų14069%0.68777%0.773SS**  54.7108129.2-61.2170.8000119.9
852T24.6Very low26.7Very low125 Ų125141.2 Ų141.277%0.76777%0.769SS**  trans59.4147.5147.563.50000119.3
853I24.4Very low26.7Very low140 Ų140143.8 Ų143.872%0.71876%0.764SS**  -165.4137.161.6-84.5180000110.7
854W22.5Very low26.7Very low258 Ų258144.7 Ų144.798%0.97776%0.76SS**  trans47.8160.9149.1-66.455.6000122.9
855D25Very low26.4Very low165 Ų165143.7 Ų143.788%0.88275%0.754SS**  trans-102.9154.6-170.2-156.126.1000111.1
856G27.7Very low26.3Very low54 Ų54146 Ų14656%0.55776%0.758SS**  cis174.8-174.10.300000115.6
857S29.7Very low26.3Very low110 Ų110140.2 Ų140.277%0.76975%0.752SS**  trans77.7123.1161.970.80000123.6
858N28.9Very low26.2Very low146 Ų146141.3 Ų141.378%0.78176%0.756SS**  trans61.7126.7145.8-55.6-18.8000121.2
859C25.8Very low26.3Very low105 Ų105143.7 Ų143.771%0.70976%0.76SS**  cis79.2147.543.8-62.10000114.1
860F25.6Very low26.1Very low199 Ų199141.2 Ų141.287%0.87375%0.754SS**  cis-155.2172.715.4-120.6-46.4000112
861K26.1Very low26.3Very low208 Ų208141 Ų14190%0.90476%0.757SS**  trans-154.9152.2156.2-118.4173-172.6179.20114
862S26.1Very low26.3Very low103 Ų103141.1 Ų141.172%0.7276%0.76SS**  trans-124-169-165.6610000111.9
863N28.2Very low26.5Very low137 Ų137140.8 Ų140.873%0.73376%0.763SS**  cis-148.7-167.211.6-1403.8000109.2
864T29.2Very low26.5Very low110 Ų110141.8 Ų141.868%0.67577%0.77SS**  cis-151.3-159.617.5-15.40000107.6
865N25.1Very low26.8Very low121 Ų121136.8 Ų136.865%0.64777%0.767SS**  cis-153.6-178.812.1-154.521.5000112.5
866E27.3Very low26.8Very low156 Ų156133.4 Ų133.473%0.72976%0.756SS**  trans62.476.9153.8-84.7164.8-119.600121.5
867S27.6Very low26.8Very low103 Ų103140 Ų14072%0.7277%0.77SS**  68.3124.2105.1-61.70000125.2
868I26.1Very low26.7Very low147 Ų147141.7 Ų141.775%0.75478%0.776SS**  trans105105.8130.5-73.3167.2000122.6
869Q27.3Very low26.5Very low160 Ų160139.1 Ų139.175%0.74878%0.775SS**  trans72.4112135.1-65.1-176.9-6.700127
870I23.2Very low26.6Very low144 Ų144141 Ų14174%0.73878%0.782SS**  53.3126.1115.4-55.4165.1000121.6
871V27.7Very low26.5Very low135 Ų135137 Ų13782%0.81878%0.775SS**  -174.2156.3124.1144.70000110.8
872D23.4Very low26.4Very low137 Ų137131.7 Ų131.773%0.73376%0.764SS**  trans-80.7163.6-166-46.6-98.1000117.7
873S29.3Very low26.5Very low119 Ų119133.2 Ų133.283%0.83277%0.769SS**  155.3156.7110.257.70000115.3
874N24.2Very low26.4Very low161 Ų161132.8 Ų132.886%0.86177%0.771SS**  trans-98153.2177.1-65.7-59.5000112
875V30.1Very low26.3Very low153 Ų153133.4 Ų133.493%0.92777%0.774SS**  trans-169.5166.4140131.70000110.7
876S25.2Very low26.4Very low94 Ų94132.8 Ų132.866%0.65778%0.78SS**  trans-131.8167.7-170.166.40000114.7
877K27.3Very low26.5Very low191 Ų191131.4 Ų131.483%0.8378%0.782SS**  trans87.8153.9157.2-68.9178.4179.4176.80121.3
878T27Very low26.6Very low146 Ų146131.7 Ų131.790%0.89678%0.779SS**  trans85.9146.8154.88.40000118.6
879A24.4Very low26.8Very low92 Ų92130.1 Ų130.176%0.7678%0.777SS**  trans-129.7170.7-174.800000109.5
880V27.5Very low26.9Very low144 Ų144131.2 Ų131.287%0.87378%0.779SS**  trans-176.2167.2139.5142.30000109.5
881T24.5Very low26.9Very low117 Ų117127.3 Ų127.372%0.71877%0.774SS**  trans-94.6169.9-152.352.60000117.6
882S23.8Very low26.9Very low95 Ų95131.3 Ų131.366%0.66478%0.776SS**  trans73.5116134.257.40000122.4
883T28.2Very low27.1Very low136 Ų136130.5 Ų130.583%0.83478%0.781SS**  178.4150.4111.127.80000108.1
884V25.4Very low27Very low127 Ų127130.7 Ų130.777%0.7778%0.777SS**  cis141.8158.7-1.5157.60000106.7
885V27.3Very low27Very low124 Ų124127 Ų12775%0.75277%0.77SS**  trans83.994.2-177.4-166.70000114.4
886S26.8Very low26.8Very low108 Ų108126.9 Ų126.976%0.75576%0.764SS**  75.3141.484.3-53.40000114
887T30.3Very low26.9Very low126 Ų126130.4 Ų130.477%0.77377%0.774SS**  cis-142.1170.730.551.80000112.3
888T30.7Very low26.7Very low109 Ų109128.5 Ų128.567%0.66977%0.77SS**  cis-160.5144.97.7-4.20000110.7
889T29.2Very low26.7Very low114 Ų114127.3 Ų127.370%0.69976%0.758SS**  trans50.7142.7151.157.30000121.3
890K29.1Very low26.8Very low184 Ų184130 Ų13080%0.876%0.759SS**  cis-160.1160.5-6.8-94.8157.3-175.7176.70104.2
891G23.8Very low26.9Very low61 Ų61131.5 Ų131.563%0.62976%0.755SS**  cis130.9142.311.500000110.1
892Y26.8Very low27Very low219 Ų219132 Ų13286%0.85976%0.76SS**  trans85.1138.5174.8-53.9-72.6000119.9
893S27.6Very low27.1Very low121 Ų121138.8 Ų138.885%0.84677%0.771SS**  trans-142.7113.7166.41750000107.2
894T28.5Very low27.2Very low123 Ų123138.2 Ų138.276%0.75577%0.773SS**  trans-154.3106-177.346.30000113
895A23.5Very low27.3Very low84 Ų84136.9 Ų136.969%0.69478%0.775SS**  trans34.6148.2138.100000124.1
896N26.8Very low27.2Very low150 Ų150136.8 Ų136.880%0.80278%0.779SS**  trans83145162.2-51.3-57.3000116.9
897L25.8Very low27.2Very low167 Ų167135.7 Ų135.787%0.87479%0.785SS**  cis-111.4147.58.1-90.282.1000114.7
898M23.3Very low27Very low152 Ų152133.5 Ų133.575%0.74979%0.788SS**  trans-88.6171.9152.3-72.8174.362.200111
899N26.5Very low26.8Very low121 Ų121138 Ų13865%0.64780%0.799SS**  trans77.1141.9160.1-66.2-14.6000116.9
900N27.6Very low26.7Very low147 Ų147140.4 Ų140.479%0.78681%0.805SS**  cis-132.2148.219.1-97.4-49.4000114.8
901F28.3Very low26.6Very low177 Ų177134.6 Ų134.678%0.77680%0.798SS**  trans-63.8169.2154.6-77-99.4000110.9
902P28.3Very low27Very low127 Ų127137.9 Ų137.983%0.82581%0.808SS**  -127.2167.1108.736.4-32000114.2
903R24.9Very low26.9Very low238 Ų238131.7 Ų131.790%0.89880%0.803SS**  trans-80.3165.2-172-66.7174.6170.3-167.7-4.7113.3
904S31.6Very low26.7Very low124 Ų124135.5 Ų135.587%0.86781%0.807SS**  trans-50.8147-177.1-39.70000116.7
905A26.4Very low26.6Very low99 Ų99135.3 Ų135.382%0.81881%0.811SS**  trans-141152.3143.600000110.1
906S26.2Very low26.8Very low121 Ų121138.1 Ų138.185%0.84682%0.819SS**  trans-52.9126.7-171.650.20000118.4
907G25.4Very low26.8Very low85 Ų85138.5 Ų138.588%0.87682%0.822SS**  trans72159.6140.300000119.2
908G26.9Very low26.8Very low81 Ų81135.2 Ų135.284%0.83581%0.812SS**  trans127.5102.617000000114.6
909F26Very low27Very low203 Ų203132.6 Ų132.689%0.8981%0.809SS**  trans-70.2129.7177.3-176.2-84.6000112.6
910I27.2Very low27Very low164 Ų164130.9 Ų130.984%0.84181%0.807SS**  trans-165141.9149.4-93.8143.1000106.8
911G27.2Very low27.4Very low63 Ų63126 Ų12665%0.64978%0.782SS**  trans-145.9164.5173.100000111.6
912P31.8Very low27.6Very low129 Ų129121.1 Ų121.184%0.83876%0.759SS**  trans-135.2156.8162.938.4-24.8000115.4
913A24.6Very low27.5Very low90 Ų90121.3 Ų121.374%0.74476%0.757SS**  trans5696.9148.400000120.7
914E23.7Very low27.5Very low200 Ų200115.7 Ų115.794%0.93575%0.754SS**  23.8104.7126.6-57.3-173.5157.500119.7
915S27.4Very low27.2Very low120 Ų120113.2 Ų113.284%0.83975%0.748SS**  trans-146.8156.2138.652.50000109.7
916T26.1Very low27.1Very low142 Ų142112.8 Ų112.887%0.87174%0.738SS**  trans-98.8107.6-162.651.70000113.5
917D26.9Very low27.1Very low159 Ų159117.9 Ų117.985%0.8574%0.741SS**  trans-145.4151.2159.8-123.8-38.8000113.2
918S27.3Very low27.1Very low97 Ų97121.2 Ų121.268%0.67874%0.738SS**  trans-116.954.2-152.259.40000116.9S920S918-S920 PolarHBondContact O-N 3.15Å
919S25.9Very low27Very low97 Ų97124.6 Ų124.668%0.67874%0.737SS**  trans-92.481.4173.8610000113.4
920S27.2Very low27Very low85 Ų85121 Ų12159%0.59473%0.727SS**  trans-119.771.5-175.566.90000115.7S918S918-S920 PolarHBondContact O-N 3.15Å
921V35.5Very low27Very low46 Ų46119 Ų11928%0.27972%0.719SS.*SBendtrans-140.1121.5152.3174.30000107.2K1058V921-K1058 HydrophobicContact CG2-CB 3.59Å; V921-K1058 HydrophobicContact CG2-CD 4.09Å; V921-K1058 HydrophobicContact CG2-CG 3.67Å
922W33.3Very low27Very low74 Ų74122.7 Ų122.728%0.2872%0.723SS.*  trans47.472.8172-57.8148000115.7C924 F1012 L1022 A1065 K1225W922-C924 PolarHBondContact O-N 3.22Å; W922-F1012 AromaticContact CH2-CZ 3.94Å; W922-F1012 HydrophobicContact CH2-CZ 3.94Å; W922-L1022 HydrophobicContact CZ3-CB 4.36Å; W922-L1022 HydrophobicContact CZ3-CD2 4.47Å; W922-A1065 HydrophobicContact CZ2-CB 3.64Å; W922-K1225 HydrophobicContact CD2-CD 3.85Å; W922-K1225 HydrophobicContact CE3-CD 3.39Å; W922-K1225 VanDerWaalsContact CG-CE 3.49Å; W922-K1225 HydrophobicContact CH2-CB 4.33Å; W922-K1225 HydrophobicContact CH2-CD 2.66Å; W922-K1225 HydrophobicContact CH2-CG 3.27Å; W922-K1225 HydrophobicContact CZ2-CD 3.21Å; W922-K1225 HydrophobicContact CZ2-CG 3.37Å; W922-K1225 HydrophobicContact CZ3-CD 2.76Å; W922-K1225 HydrophobicContact CZ3-CG 4.04Å
923T26.3Very low26.7Very low130 Ų130127.1 Ų127.180%0.79872%0.723SS**  trans-73.972.1173.951.80000112.6
924C24.1Very low26.7Very low121 Ų121127.8 Ų127.882%0.81872%0.723SS**SBendtrans-96.1171.9138.8-159.30000108.4W922W922-C924 PolarHBondContact O-N 3.22Å
925G26.2Very low26.9Very low72 Ų72129 Ų12974%0.74272%0.718SS**  trans-59.8144.6-167.300000114.6
926S24.8Very low27.1Very low89 Ų89127.7 Ų127.762%0.62271%0.707SS**  trans-105.8118.8163-71.40000109.4R1187S926-R1187 PolarHBondContact OG-NH2 3.08Å
927Y25.5Very low27.1Very low229 Ų229127.6 Ų127.690%0.89871%0.707SS**  trans-82.1153.5156.8-84.8-81.6000110.1
928N24.4Very low27.2Very low154 Ų154126.6 Ų126.682%0.82471%0.707SS**  trans-115.5129.7-176.6-165.622.9000107.6
929N26.6Very low27.2Very low153 Ų153130 Ų13082%0.81872%0.716SS**  trans-143.1145.5-175.7-159.1-2.2000110.8
930N24.3Very low27.3Very low127 Ų127136.4 Ų136.468%0.67973%0.726SS**  trans-152.6121.6-174.6-118.4-18.8000112.3
931N27.5Very low27.3Very low123 Ų123142.8 Ų142.866%0.65874%0.743SS**  trans7391.6148.8-62.4-29.4000121.3
932N27.4Very low27.1Very low139 Ų139144.8 Ų144.874%0.74376%0.759SS**  119.7123.3101.3-78.1-29.5000121
933R24.8Very low27.2Very low222 Ų222146 Ų14684%0.83878%0.775SS**  trans96.799.6132.5-89.5-173.4175.6-174-1.4122.7
934S26.3Very low28.1Very low105 Ų105146.8 Ų146.873%0.73477%0.769SS**  63.4139.9118.2600000121
935R27.5Very low29.7Very low224 Ų224143 Ų14385%0.84574%0.739SS**  cis-168.4-166.7-2.5-156.7-161.6161.1-163-5.3108.3
936P32Very low31.6Very low93 Ų93142.9 Ų142.960%0.60472%0.721SS**  -109.1173.1-107.642.4-26.7000116.9
937T25.9Very low34Very low141 Ų141139.4 Ų139.487%0.86569%0.694SS**  trans-132164.3149.935.30000110.9
938T27.9Very low36.6Very low138 Ų138128.6 Ų128.685%0.84765%0.652SS**  trans-102.8125.1-162.846.90000114.3
939L27.9Very low39.3Very low168 Ų168125.2 Ų125.288%0.8863%0.631SS**  trans-147.9143.4161.5-152.470.3000110.9
940R28.1Very low41.9Very low232 Ų232120.8 Ų120.888%0.87561%0.611SS**  trans19.7111.1177.6-80.4-176.4166.9171.3-3.8117.8S942R940-S942 VanDerWaalsContact C-N 3.3Å; R940-S942 PolarHBondContact O-N 3.3Å
941K27.1Very low44.4Very low218 Ų218118.6 Ų118.695%0.94862%0.619SS**  trans-64.884.1161-71.1178.6-178.2169.60110.7
942S30.8Very low47.1Very low88 Ų88116 Ų11662%0.61560%0.602SS**  trans-69.8140.5156.156.10000109R940 Q944R940-S942 VanDerWaalsContact C-N 3.3Å; R940-S942 PolarHBondContact O-N 3.3Å; S942-Q944 VanDerWaalsContact C-N 3.33Å; S942-Q944 PolarHBondContact O-N 3.42Å
943T35.7Very low49.7Very low101 Ų101114.3 Ų114.362%0.6260%0.599SS**  trans-71.489.8178.8-36.30000109Q945 L1098T943-Q945 PolarHBondContact O-N 3.4Å; T943-L1098 HydrophobicContact CG2-CD2 4.37Å
944Q45.2Very low52.6Low146 Ų146105 Ų10568%0.68257%0.57SS**  trans-60.5104.4-179.6-71.2-174.6-14.800109.9S942 I946S942-Q944 VanDerWaalsContact C-N 3.33Å; S942-Q944 PolarHBondContact O-N 3.42Å; Q944-I946 PolarHBondContact O-N 3.18Å; Q944-I946 VanDerWaalsContact O-N 3.16Å
945Q58.1Low55.6Low40 Ų40101.4 Ų101.419%0.18754%0.541CS..  trans-68.8107.2173.9-75.7179.150.400108.6T943 Y947 V1096 L1098 G1179T943-Q945 PolarHBondContact O-N 3.4Å; Q945-Y947 HydrophobicContact CB-CE2 4.45Å; Q945-Y947 WeakPolarHBondContact O-CD2 3.35Å; Q945-Y947 PolarHBondContact O-N 3.27Å; Q945-V1096 HydrophobicContact CB-CG1 3.65Å; Q945-V1096 HydrophobicContact CB-CG2 4.45Å; Q945-V1096 HydrophobicContact CG-CG1 3.66Å; Q945-L1098 HydrophobicContact CG-CD2 4.14Å; Q945-G1179 PolarHBondContact NE2-O 2.86Å; Q945-G1179 PolarHBondContact OE1-O 3.42Å
946I65.6Low58.5Low71 Ų7194.5 Ų94.536%0.36453%0.527SS..EExtended strand (participates in β ladder)trans-80.5114.2175.7-61.6177.6000107.1Q944 V1096 I1097Q944-I946 PolarHBondContact O-N 3.18Å; Q944-I946 VanDerWaalsContact O-N 3.16Å; I946-V1096 CarbonylContact O-C 3.5Å; I946-V1096 WeakPolarHBondContact O-CA 3.01Å; I946-I1097 HydrophobicContact CB-CB 4.5Å; I946-I1097 HydrophobicContact CB-CD1 4.38Å; I946-I1097 HydrophobicContact CG2-CD1 4.19Å; I946-I1097 PolarHBondContact N-O 3.26Å; I946-I1097 WeakPolarHBondContact O-CD1 3.2Å; I946-I1097 PolarHBondContact O-N 3.44Å
947Y75.5Confident61.2Low15 Ų1593.8 Ų93.86%0.05952%0.524CS..EExtended strand (participates in β ladder)trans-72.3146.8175.5-75.2-97.5000110.7Q945 H949 S1095 V1096 W1185 A1191 H1192 R1195Q945-Y947 HydrophobicContact CB-CE2 4.45Å; Q945-Y947 WeakPolarHBondContact O-CD2 3.35Å; Q945-Y947 PolarHBondContact O-N 3.27Å; Y947-H949 PolarHBondContact O-CD2 3.27Å; Y947-H949 PolarHBondContact O-N 3.48Å; Y947-S1095 WeakPolarHBondContact CA-O 3.32Å; Y947-V1096 HydrophobicContact CD1-CG2 4.04Å; Y947-V1096 HydrophobicContact CE1-CG2 3.93Å; Y947-V1096 HydrophobicContact CG-CG2 4.46Å; Y947-W1185 HydrophobicContact CD2-CH2 4.17Å; Y947-W1185 HydrophobicContact CD2-CZ3 4.46Å; Y947-W1185 AromaticContact CE2-CH2 3.55Å; Y947-W1185 HydrophobicContact CE2-CH2 3.55Å; Y947-W1185 HydrophobicContact CE2-CZ2 4.37Å; Y947-W1185 HydrophobicContact CE2-CZ3 4.27Å; Y947-W1185 AromaticContact CZ-CH2 3.95Å; Y947-A1191 HydrophobicContact CD1-CB 4.18Å; Y947-H1192 AromaticContact CG-NE2 3.86Å; Y947-R1195 HydrophobicContact CE1-CB 3.99Å; Y947-R1195 HydrophobicContact CE1-CG 4.06Å
948V80.7Confident64.4Low2 Ų287.2 Ų87.21%0.01248%0.484CS..  trans-80.3111.8-175.4176.50000110.7A954 F955 F958 A1094 S1095 I1097 A1191V948-A954 HydrophobicContact CG1-CB 4.33Å; V948-A954 HydrophobicContact CG2-CB 4.01Å; V948-F955 VanDerWaalsContact CG1-CA 3.41Å; V948-F955 HydrophobicContact CG1-CB 3.86Å; V948-F955 HydrophobicContact CG1-CD2 4.07Å; V948-F955 HydrophobicContact CG1-CG 4.46Å; V948-F958 HydrophobicContact CB-CB 4.49Å; V948-F958 HydrophobicContact CG1-CB 3.89Å; V948-F958 HydrophobicContact CG1-CG 4.38Å; V948-A1094 WeakPolarHBondContact CG2-O 3.36Å; V948-S1095 PolarHBondContact N-O 3.1Å; V948-I1097 HydrophobicContact CG2-CD1 3.58Å; V948-I1097 HydrophobicContact CG2-CG1 4.4Å; V948-A1191 WeakPolarHBondContact O-CB 3.39Å
949H81.4Confident67.6Low83 Ų8381.8 Ų81.838%0.38445%0.449SS..  trans-105.9156.9178.5-71.3-88.1000112.1Y947 G951 H952Y947-H949 PolarHBondContact O-CD2 3.27Å; Y947-H949 PolarHBondContact O-N 3.48Å; H949-G951 PolarHBondContact O-N 3.5Å; H949-H952 WeakPolarHBondContact O-CB 3.49Å; H949-H952 PolarHBondContact O-N 3.19Å
950P79.7Confident70.7Confident60 Ų6074.1 Ų74.139%0.3941%0.411SS..THydrogen-bonded Turntrans-53.6134.8173.9-22.331.3000111.7H952 F955 V1057P950-H952 VanDerWaalsContact C-N 3.33Å; P950-F955 HydrophobicContact CB-CE1 4.44Å; P950-F955 HydrophobicContact CB-CE2 4.29Å; P950-F955 HydrophobicContact CB-CZ 4.22Å; P950-F955 HydrophobicContact CG-CD2 4.42Å; P950-F955 HydrophobicContact CG-CE2 3.83Å; P950-F955 HydrophobicContact CG-CZ 3.97Å; P950-V1057 HydrophobicContact CB-CG2 3.89Å; P950-V1057 HydrophobicContact CG-CB 4.11Å; P950-V1057 HydrophobicContact CG-CG1 3.57Å; P950-V1057 HydrophobicContact CG-CG2 3.39Å
951G78.4Confident73.7Confident82 Ų8266.9 Ų66.985%0.84539%0.394SS*.THydrogen-bonded Turntrans88.6-14.1-173.800000114.7H949H949-G951 PolarHBondContact O-N 3.5Å
952H82.6Confident77Confident68 Ų6858.5 Ų58.532%0.31536%0.358SS..SBendtrans-73.2139.1168.5-169.5-90.3000110.4H949 P950 A954 F955 I1097H949-H952 WeakPolarHBondContact O-CB 3.49Å; H949-H952 PolarHBondContact O-N 3.19Å; P950-H952 VanDerWaalsContact C-N 3.33Å; H952-A954 VanDerWaalsContact C-N 3.27Å; H952-A954 WeakPolarHBondContact ND1-CB 3.46Å; H952-A954 PolarHBondContact ND1-N 3.45Å; H952-A954 VanDerWaalsContact ND1-N 3.18Å; H952-A954 PolarHBondContact O-N 2.79Å; H952-F955 WeakPolarHBondContact O-CB 3.47Å; H952-F955 PolarHBondContact O-N 3.01Å; H952-I1097 WeakPolarHBondContact CE1-CD1 3.45Å
953P82.9Confident80Confident104 Ų10461.4 Ų61.468%0.67537%0.366SS*.THydrogen-bonded Turntrans-56.9-35.8-178.118.9-32.7000114F955 S956P953-F955 PolarHBondContact O-N 2.87Å; P953-S956 PolarHBondContact O-OG 2.88Å; P953-S956 VanDerWaalsContact O-OG 3.13Å
954A86.1Confident82.7Confident27 Ų2757.1 Ų57.122%0.22334%0.339CS..THydrogen-bonded Turntrans-68.5-9.417500000114.6V948 H952 S956 S957 F958 I1097V948-A954 HydrophobicContact CG1-CB 4.33Å; V948-A954 HydrophobicContact CG2-CB 4.01Å; H952-A954 VanDerWaalsContact C-N 3.27Å; H952-A954 WeakPolarHBondContact ND1-CB 3.46Å; H952-A954 PolarHBondContact ND1-N 3.45Å; H952-A954 VanDerWaalsContact ND1-N 3.18Å; H952-A954 PolarHBondContact O-N 2.79Å; A954-S956 VanDerWaalsContact C-N 3.29Å; A954-S956 PolarHBondContact O-N 2.9Å; A954-S957 WeakPolarHBondContact O-CB 3.24Å; A954-S957 PolarHBondContact O-N 3.24Å; A954-S957 VanDerWaalsContact O-N 3.13Å; A954-F958 PolarHBondContact O-N 3.07Å; A954-I1097 HydrophobicContact CB-CD1 4.44Å; A954-I1097 HydrophobicContact CB-CG1 4.39Å
955F89.2Confident84.9Confident28 Ų2852.5 Ų52.512%0.12332%0.322CS..Hα-helixtrans-64.6-33.2179.9-172.5-99.3000112V948 P950 H952 P953 S957 F958 I959 L1060V948-F955 VanDerWaalsContact CG1-CA 3.41Å; V948-F955 HydrophobicContact CG1-CB 3.86Å; V948-F955 HydrophobicContact CG1-CD2 4.07Å; V948-F955 HydrophobicContact CG1-CG 4.46Å; P950-F955 HydrophobicContact CB-CE1 4.44Å; P950-F955 HydrophobicContact CB-CE2 4.29Å; P950-F955 HydrophobicContact CB-CZ 4.22Å; P950-F955 HydrophobicContact CG-CD2 4.42Å; P950-F955 HydrophobicContact CG-CE2 3.83Å; P950-F955 HydrophobicContact CG-CZ 3.97Å; H952-F955 WeakPolarHBondContact O-CB 3.47Å; H952-F955 PolarHBondContact O-N 3.01Å; P953-F955 PolarHBondContact O-N 2.87Å; F955-S957 VanDerWaalsContact C-N 3.32Å; F955-S957 PolarHBondContact O-N 2.67Å; F955-F958 HydrophobicContact CD2-CD1 4.24Å; F955-F958 HydrophobicContact CE2-CD1 4.23Å; F955-F958 PolarHBondContact O-N 3.26Å; F955-I959 HydrophobicContact CD1-CD1 4.31Å; F955-I959 HydrophobicContact CD1-CG1 4.43Å; F955-I959 HydrophobicContact CD1-CG2 4.4Å; F955-I959 HydrophobicContact CE1-CD1 3.82Å; F955-I959 HydrophobicContact CE1-CG1 4.29Å; F955-I959 HydrophobicContact CE1-CG2 3.93Å; F955-I959 HydrophobicContact CE2-CG2 4.05Å; F955-I959 HydrophobicContact CZ-CG2 3.73Å; F955-I959 WeakPolarHBondContact O-CG1 3.44Å; F955-I959 PolarHBondContact O-N 3.15Å; F955-L1060 HydrophobicContact CE2-CD2 4.18Å; F955-L1060 HydrophobicContact CZ-CD2 3.85Å
956S87.6Confident86.4Confident80 Ų8054.7 Ų54.756%0.55934%0.341SS*.Hα-helixtrans-65-34173.4600000112.6P953 A954 G960P953-S956 PolarHBondContact O-OG 2.88Å; P953-S956 VanDerWaalsContact O-OG 3.13Å; A954-S956 VanDerWaalsContact C-N 3.29Å; A954-S956 PolarHBondContact O-N 2.9Å; S956-G960 WeakPolarHBondContact O-CA 3.4Å; S956-G960 PolarHBondContact O-N 3.15Å
957S89.4Confident87.6Confident78 Ų7857.1 Ų57.155%0.54535%0.351SS..Hα-helixtrans-72.2-42.5172.9-520000111.4A954 F955 G960 R1091A954-S957 WeakPolarHBondContact O-CB 3.24Å; A954-S957 PolarHBondContact O-N 3.24Å; A954-S957 VanDerWaalsContact O-N 3.13Å; F955-S957 VanDerWaalsContact C-N 3.32Å; F955-S957 PolarHBondContact O-N 2.67Å; S957-G960 PolarHBondContact O-N 3.36Å; S957-R1091 PolarHBondContact O-NH1 3.46Å
958F93.5Very high88.3Confident2 Ų257.1 Ų57.11%0.00935%0.352CS..Hα-helixtrans-58.7-49176.9176.3-114.8000112.1V948 A954 F955 L1060 W1064 R1091 A1190 A1191 A1194V948-F958 HydrophobicContact CB-CB 4.49Å; V948-F958 HydrophobicContact CG1-CB 3.89Å; V948-F958 HydrophobicContact CG1-CG 4.38Å; A954-F958 PolarHBondContact O-N 3.07Å; F955-F958 HydrophobicContact CD2-CD1 4.24Å; F955-F958 HydrophobicContact CE2-CD1 4.23Å; F955-F958 PolarHBondContact O-N 3.26Å; F958-L1060 HydrophobicContact CE1-CD2 4.38Å; F958-W1064 AromaticContact CZ-NE1 3.85Å; F958-R1091 HydrophobicContact CE2-CB 4.47Å; F958-R1091 WeakPolarHBondContact CE2-O 3.28Å; F958-R1091 WeakPolarHBondContact O-CD 3.47Å; F958-R1091 PolarHBondContact O-NE 3.49Å; F958-R1091 PolarHBondContact O-NH1 3.43Å; F958-A1190 HydrophobicContact CE1-CB 3.97Å; F958-A1190 HydrophobicContact CZ-CB 4.25Å; F958-A1191 HydrophobicContact CZ-CB 4.41Å; F958-A1194 HydrophobicContact CE2-CB 3.53Å; F958-A1194 HydrophobicContact CZ-CB 3.71Å
959I94Very high88.7Confident24 Ų2457.2 Ų57.212%0.12335%0.352CS..SBendtrans-90-1.6178.376164.3000114.2F955 S1053 L1060F955-I959 HydrophobicContact CD1-CD1 4.31Å; F955-I959 HydrophobicContact CD1-CG1 4.43Å; F955-I959 HydrophobicContact CD1-CG2 4.4Å; F955-I959 HydrophobicContact CE1-CD1 3.82Å; F955-I959 HydrophobicContact CE1-CG1 4.29Å; F955-I959 HydrophobicContact CE1-CG2 3.93Å; F955-I959 HydrophobicContact CE2-CG2 4.05Å; F955-I959 HydrophobicContact CZ-CG2 3.73Å; F955-I959 WeakPolarHBondContact O-CG1 3.44Å; F955-I959 PolarHBondContact O-N 3.15Å; I959-S1053 WeakPolarHBondContact O-CA 3.16Å; I959-S1053 PolarHBondContact O-N 3.38Å; I959-L1060 HydrophobicContact CG2-CD2 3.62Å
960G92.3Very high89Confident8 Ų859.4 Ų59.48%0.08236%0.361CS..SBendtrans-69.6-164.6-166.200000115.4S956 S957 T1052 R1091S956-G960 WeakPolarHBondContact O-CA 3.4Å; S956-G960 PolarHBondContact O-N 3.15Å; S957-G960 PolarHBondContact O-N 3.36Å; G960-T1052 WeakPolarHBondContact O-CG2 3.33Å; G960-R1091 PolarHBondContact O-NH1 2.92Å; G960-R1091 PolarHBondContact O-NH2 2.92Å
961P93.1Very high88.9Confident80 Ų8060.2 Ų60.252%0.51937%0.372SS..  trans-50.5166.8171.8-21.829.6000114F976 R1091P961-F976 HydrophobicContact CB-CD2 4.09Å; P961-F976 HydrophobicContact CB-CE2 3.92Å; P961-F976 HydrophobicContact CG-CD2 4.26Å; P961-F976 HydrophobicContact CG-CE2 3.67Å; P961-F976 HydrophobicContact CG-CZ 4.41Å; P961-R1091 PolarHBondContact O-NH1 3.08Å; P961-R1091 VanDerWaalsContact O-NH1 3.1Å; P961-R1091 PolarHBondContact O-NH2 2.89Å; P961-R1091 VanDerWaalsContact O-NH2 3.16Å
962F94.7Very high89.1Confident42 Ų4264.6 Ų64.618%0.18438%0.376CS..  trans-147.5134.9160.5178.9-89.7000108.7W964 A1086 Y1087F962-W964 AromaticContact CD1-CD1 3.72Å; F962-W964 AromaticContact CD1-CD2 3.72Å; F962-W964 HydrophobicContact CD1-CD2 3.72Å; F962-W964 AromaticContact CD1-CE2 3.62Å; F962-W964 HydrophobicContact CD1-CE3 4.39Å; F962-W964 AromaticContact CD1-CG 3.78Å; F962-W964 HydrophobicContact CD1-CG 3.78Å; F962-W964 HydrophobicContact CD1-CZ2 4.21Å; F962-W964 AromaticContact CD1-NE1 3.61Å; F962-W964 AromaticContact CE1-CD2 3.98Å; F962-W964 HydrophobicContact CE1-CD2 3.98Å; F962-W964 HydrophobicContact CE1-CE3 4.21Å; F962-W964 HydrophobicContact CE1-CG 4.27Å; F962-W964 PolarHBondContact O-N 3.39Å; F962-A1086 HydrophobicContact CZ-CB 3.98Å; F962-Y1087 HydrophobicContact CB-CD2 3.93Å; F962-Y1087 HydrophobicContact CB-CE2 4.14Å; F962-Y1087 AromaticContact CD1-CD2 3.93Å; F962-Y1087 HydrophobicContact CD1-CD2 3.93Å; F962-Y1087 HydrophobicContact CD2-CD2 4.05Å; F962-Y1087 HydrophobicContact CE1-CD2 4.47Å; F962-Y1087 AromaticContact CG-CD2 3.69Å; F962-Y1087 HydrophobicContact CG-CD2 3.69Å; F962-Y1087 HydrophobicContact CG-CE2 4.39Å
963D93.5Very high89.2Confident148 Ų14864 Ų6479%0.79137%0.374SS*.  trans-83.278-172.1-59.4-37.8000111.2
964W93.7Very high89.5Confident12 Ų1263.4 Ų63.45%0.04537%0.365CS..  trans-70132.8177.5-64.493.2000111.8F962 S966 L968 F969 I975 M979 C1048 F1080 H1083 Y1087F962-W964 AromaticContact CD1-CD1 3.72Å; F962-W964 AromaticContact CD1-CD2 3.72Å; F962-W964 HydrophobicContact CD1-CD2 3.72Å; F962-W964 AromaticContact CD1-CE2 3.62Å; F962-W964 HydrophobicContact CD1-CE3 4.39Å; F962-W964 AromaticContact CD1-CG 3.78Å; F962-W964 HydrophobicContact CD1-CG 3.78Å; F962-W964 HydrophobicContact CD1-CZ2 4.21Å; F962-W964 AromaticContact CD1-NE1 3.61Å; F962-W964 AromaticContact CE1-CD2 3.98Å; F962-W964 HydrophobicContact CE1-CD2 3.98Å; F962-W964 HydrophobicContact CE1-CE3 4.21Å; F962-W964 HydrophobicContact CE1-CG 4.27Å; F962-W964 PolarHBondContact O-N 3.39Å; W964-S966 PolarHBondContact O-N 2.68Å; W964-L968 HydrophobicContact CE3-CD1 4.15Å; W964-F969 HydrophobicContact CB-CE2 3.41Å; W964-F969 VanDerWaalsContact CB-CE2 3.41Å; W964-F969 HydrophobicContact CB-CZ 3.5Å; W964-F969 HydrophobicContact CD2-CZ 4.21Å; W964-F969 HydrophobicContact CG-CE2 4.22Å; W964-F969 AromaticContact CG-CZ 3.8Å; W964-F969 HydrophobicContact CG-CZ 3.8Å; W964-I975 HydrophobicContact CB-CG2 3.97Å; W964-M979 HydrophobicContact CD2-CE 4.37Å; W964-M979 HydrophobicContact CG-CG 4.44Å; W964-M979 HydrophobicContact CZ2-CE 3.73Å; W964-C1048 HydrophobicContact CH2-CB 4.11Å; W964-C1048 HydrophobicContact CZ2-CB 3.75Å; W964-F1080 HydrophobicContact CE3-CE2 4.46Å; W964-F1080 HydrophobicContact CH2-CE2 4.5Å; W964-F1080 HydrophobicContact CH2-CZ 4.03Å; W964-F1080 AromaticContact CZ3-CE2 3.78Å; W964-F1080 HydrophobicContact CZ3-CE2 3.78Å; W964-F1080 AromaticContact CZ3-CZ 3.75Å; W964-F1080 HydrophobicContact CZ3-CZ 3.75Å; W964-H1083 HydrophobicContact CZ3-CB 4.34Å; W964-Y1087 AromaticContact CE2-CD2 3.97Å; W964-Y1087 AromaticContact CH2-CD2 3.98Å; W964-Y1087 HydrophobicContact CH2-CD2 3.98Å; W964-Y1087 AromaticContact CH2-CG 3.88Å; W964-Y1087 HydrophobicContact CH2-CG 3.88Å; W964-Y1087 AromaticContact CZ2-CD2 3.3Å; W964-Y1087 HydrophobicContact CZ2-CD2 3.3Å; W964-Y1087 AromaticContact CZ2-CE2 3.9Å; W964-Y1087 HydrophobicContact CZ2-CE2 3.9Å; W964-Y1087 AromaticContact CZ2-CG 3.68Å; W964-Y1087 HydrophobicContact CZ2-CG 3.68Å
965P92.2Very high89.7Confident49 Ų4964.1 Ų64.132%0.31836%0.364SS..  trans-59.1128.2175.3-30.139.5000113.3H967 L968P965-H967 WeakPolarHBondContact CB-ND1 3.42Å; P965-H967 PolarHBondContact O-N 3.29Å; P965-H967 VanDerWaalsContact O-N 3.14Å; P965-L968 WeakPolarHBondContact O-CB 3.19Å; P965-L968 PolarHBondContact O-N 3.45Å
966S88.5Confident89.7Confident86 Ų8667.9 Ų67.960%0.60138%0.381SS*.G310 helixtrans-57.2-32.7-173.254.60000114.5W964 L968 F969W964-S966 PolarHBondContact O-N 2.68Å; S966-L968 PolarHBondContact O-N 3Å; S966-F969 PolarHBondContact O-N 2.85Å; S966-F969 VanDerWaalsContact O-O 3.08Å
967H90.5Very high89.8Confident121 Ų12168.3 Ų68.356%0.5638%0.38SS*.G310 helixtrans-61.5-10.5-179.877.6-95000115P965 H1083P965-H967 WeakPolarHBondContact CB-ND1 3.42Å; P965-H967 PolarHBondContact O-N 3.29Å; P965-H967 VanDerWaalsContact O-N 3.14Å; H967-H1083 AromaticContact CE1-CE1 3.66Å; H967-H1083 AromaticContact CE1-NE2 3.41Å; H967-H1083 PolarHBondContact CE1-NE2 3.45Å; H967-H1083 AromaticContact NE2-CE1 3.49Å; H967-H1083 PolarHBondContact NE2-CE1 2.64Å; H967-H1083 AromaticContact NE2-NE2 3.74Å
968L89.6Confident89.9Confident15 Ų1565.2 Ų65.28%0.07936%0.357CS..G310 helixtrans-80.3-26.6174.6-63.2175.1000112.9W964 P965 S966 L991 I992 F1080 H1083W964-L968 HydrophobicContact CE3-CD1 4.15Å; P965-L968 WeakPolarHBondContact O-CB 3.19Å; P965-L968 PolarHBondContact O-N 3.45Å; S966-L968 PolarHBondContact O-N 3Å; L968-L991 HydrophobicContact CB-CD2 4.2Å; L968-L991 CarbonylContact O-C 3.37Å; L968-L991 WeakPolarHBondContact O-CA 3.34Å; L968-I992 PolarHBondContact O-N 2.73Å; L968-F1080 HydrophobicContact CD1-CE2 4.37Å; L968-H1083 HydrophobicContact CD1-CB 4.09Å
969F90.9Very high89.9Confident4 Ų465.3 Ų65.32%0.01836%0.358CS..SBendtrans-116.2161.3-172.8-40.7-86.4000110.7W964 S966 I975 L978 M979 I990 L991 I992W964-F969 HydrophobicContact CB-CE2 3.41Å; W964-F969 VanDerWaalsContact CB-CE2 3.41Å; W964-F969 HydrophobicContact CB-CZ 3.5Å; W964-F969 HydrophobicContact CD2-CZ 4.21Å; W964-F969 HydrophobicContact CG-CE2 4.22Å; W964-F969 AromaticContact CG-CZ 3.8Å; W964-F969 HydrophobicContact CG-CZ 3.8Å; S966-F969 PolarHBondContact O-N 2.85Å; S966-F969 VanDerWaalsContact O-O 3.08Å; F969-I975 HydrophobicContact CD2-CD1 3.81Å; F969-I975 HydrophobicContact CD2-CG1 3.86Å; F969-I975 HydrophobicContact CD2-CG2 4.05Å; F969-I975 HydrophobicContact CE2-CD1 4.22Å; F969-I975 HydrophobicContact CE2-CG1 4.34Å; F969-I975 HydrophobicContact CE2-CG2 3.68Å; F969-I975 HydrophobicContact CG-CG1 4.38Å; F969-I975 HydrophobicContact CZ-CG2 4.07Å; F969-L978 HydrophobicContact CB-CD2 4.1Å; F969-L978 HydrophobicContact CD1-CD2 3.57Å; F969-L978 HydrophobicContact CE1-CD2 4.33Å; F969-L978 HydrophobicContact CG-CD2 4.04Å; F969-M979 HydrophobicContact CE1-CG 3.91Å; F969-M979 HydrophobicContact CE1-SD 3.87Å; F969-M979 HydrophobicContact CZ-CG 4.04Å; F969-M979 HydrophobicContact CZ-SD 4.39Å; F969-I990 HydrophobicContact CD1-CG2 3.82Å; F969-I990 HydrophobicContact CE1-CG2 3.62Å; F969-L991 HydrophobicContact CE1-CD2 4.42Å; F969-I992 WeakPolarHBondContact O-CD1 3.46Å
970K86.1Confident89.8Confident130 Ų13065.3 Ų65.357%0.56536%0.36SS*.  trans-62.6148.2175.5-67.2-170.4167.1-150.30110.7Q973 I992K970-Q973 HydrophobicContact CB-CG 4.15Å; K970-I992 HydrophobicContact CG-CG1 4.21Å
971A79.3Confident90Very high77 Ų7767.4 Ų67.464%0.63637%0.366SS*.THydrogen-bonded Turntrans-50154.9164.400000111.4Q973A971-Q973 PolarHBondContact O-N 2.85Å; A971-Q973 VanDerWaalsContact O-N 3.12Å
972D81.8Confident90Very high174 Ų17465.2 Ų65.293%0.9335%0.351SS*.THydrogen-bonded Turntrans6216.6175.4-37.3-44.8000114.9
973Q83.6Confident89.7Confident56 Ų5669.9 Ų69.926%0.26237%0.371SS..  trans-101.2123.7170.8-60.4-166.9-14.100110.3K970 A971 I975 L978K970-Q973 HydrophobicContact CB-CG 4.15Å; A971-Q973 PolarHBondContact O-N 2.85Å; A971-Q973 VanDerWaalsContact O-N 3.12Å; Q973-I975 PolarHBondContact O-N 3Å; Q973-L978 HydrophobicContact CB-CD2 4.34Å
974D89.9Confident89.2Confident91 Ų9166.2 Ų66.249%0.48736%0.357SS..  trans-61.7106.8164.4169.919.7000109.2F976 T977 L978D974-F976 VanDerWaalsContact C-N 3.26Å; D974-F976 PolarHBondContact O-N 2.85Å; D974-F976 WeakPolarHBondContact OD1-CB 3.37Å; D974-F976 PolarHBondContact OD1-N 3.43Å; D974-T977 PolarHBondContact OD1-N 2.8Å; D974-T977 WeakPolarHBondContact OD2-CB 3.49Å; D974-T977 PolarHBondContact OD2-N 3.36Å; D974-T977 VanDerWaalsContact OD2-N 3.15Å; D974-T977 PolarHBondContact OD2-OG1 2.65Å; D974-L978 WeakPolarHBondContact O-CB 3.35Å; D974-L978 PolarHBondContact O-N 3.34Å
975I89.8Confident88.4Confident41 Ų4170 Ų7021%0.2138%0.378CS..Hα-helixtrans-64.3-32.6-178.4-60.4172.8000110.9W964 F969 Q973 L978 M979W964-I975 HydrophobicContact CB-CG2 3.97Å; F969-I975 HydrophobicContact CD2-CD1 3.81Å; F969-I975 HydrophobicContact CD2-CG1 3.86Å; F969-I975 HydrophobicContact CD2-CG2 4.05Å; F969-I975 HydrophobicContact CE2-CD1 4.22Å; F969-I975 HydrophobicContact CE2-CG1 4.34Å; F969-I975 HydrophobicContact CE2-CG2 3.68Å; F969-I975 HydrophobicContact CG-CG1 4.38Å; F969-I975 HydrophobicContact CZ-CG2 4.07Å; Q973-I975 PolarHBondContact O-N 3Å; I975-L978 PolarHBondContact O-N 2.88Å; I975-M979 HydrophobicContact CG2-CG 4.41Å; I975-M979 WeakPolarHBondContact O-CB 3.49Å; I975-M979 PolarHBondContact O-N 3.45Å
976F89.8Confident87.7Confident108 Ų10868.7 Ų68.747%0.47437%0.367SS..Hα-helixtrans-68.7-53.5-179.2177.6-113.1000111P961 D974 L978 M979 S980P961-F976 HydrophobicContact CB-CD2 4.09Å; P961-F976 HydrophobicContact CB-CE2 3.92Å; P961-F976 HydrophobicContact CG-CD2 4.26Å; P961-F976 HydrophobicContact CG-CE2 3.67Å; P961-F976 HydrophobicContact CG-CZ 4.41Å; D974-F976 VanDerWaalsContact C-N 3.26Å; D974-F976 PolarHBondContact O-N 2.85Å; D974-F976 WeakPolarHBondContact OD1-CB 3.37Å; D974-F976 PolarHBondContact OD1-N 3.43Å; F976-L978 VanDerWaalsContact C-N 3.28Å; F976-L978 PolarHBondContact O-N 2.84Å; F976-M979 PolarHBondContact O-N 3.43Å; F976-S980 WeakPolarHBondContact O-CB 3.43Å; F976-S980 PolarHBondContact O-N 2.91Å
977T90.2Very high86.8Confident88 Ų8867.5 Ų67.554%0.5436%0.359SS..Hα-helixtrans-64.3-32.7172.8-60.50000112.1D974 S980D974-T977 PolarHBondContact OD1-N 2.8Å; D974-T977 WeakPolarHBondContact OD2-CB 3.49Å; D974-T977 PolarHBondContact OD2-N 3.36Å; D974-T977 VanDerWaalsContact OD2-N 3.15Å; D974-T977 PolarHBondContact OD2-OG1 2.65Å; T977-S980 PolarHBondContact O-OG 3.44Å
978L91.2Very high86.3Confident13 Ų1368 Ų687%0.06836%0.359CS..Hα-helixtrans-66.4-36176.2-176.766.6000112.4F969 Q973 D974 I975 F976 F986 K1049F969-L978 HydrophobicContact CB-CD2 4.1Å; F969-L978 HydrophobicContact CD1-CD2 3.57Å; F969-L978 HydrophobicContact CE1-CD2 4.33Å; F969-L978 HydrophobicContact CG-CD2 4.04Å; Q973-L978 HydrophobicContact CB-CD2 4.34Å; D974-L978 WeakPolarHBondContact O-CB 3.35Å; D974-L978 PolarHBondContact O-N 3.34Å; I975-L978 PolarHBondContact O-N 2.88Å; F976-L978 VanDerWaalsContact C-N 3.28Å; F976-L978 PolarHBondContact O-N 2.84Å; L978-F986 HydrophobicContact CD1-CE2 4.12Å; L978-F986 HydrophobicContact CD1-CZ 3.83Å; L978-K1049 VanDerWaalsContact O-CD 3.24Å; L978-K1049 WeakPolarHBondContact O-CD 3.29Å; L978-K1049 WeakPolarHBondContact O-CE 3.29Å; L978-K1049 PolarHBondContact O-NZ 2.96Å
979M93.3Very high86.1Confident4 Ų470.2 Ų70.22%0.0237%0.367CS..Hα-helixtrans-102.83.5-177.8-68.7-59.6-68.800114.7W964 F969 I975 F976 I990 C1048 K1049 T1052W964-M979 HydrophobicContact CD2-CE 4.37Å; W964-M979 HydrophobicContact CG-CG 4.44Å; W964-M979 HydrophobicContact CZ2-CE 3.73Å; F969-M979 HydrophobicContact CE1-CG 3.91Å; F969-M979 HydrophobicContact CE1-SD 3.87Å; F969-M979 HydrophobicContact CZ-CG 4.04Å; F969-M979 HydrophobicContact CZ-SD 4.39Å; I975-M979 HydrophobicContact CG2-CG 4.41Å; I975-M979 WeakPolarHBondContact O-CB 3.49Å; I975-M979 PolarHBondContact O-N 3.45Å; F976-M979 PolarHBondContact O-N 3.43Å; M979-I990 HydrophobicContact SD-CD1 4.33Å; M979-I990 HydrophobicContact SD-CG2 3.61Å; M979-C1048 HydrophobicContact CE-CB 4.08Å; M979-K1049 HydrophobicContact CE-CB 4.21Å; M979-K1049 WeakPolarHBondContact O-CA 3.35Å; M979-K1049 HydrophobicContact SD-CB 4.22Å; M979-T1052 VanDerWaalsContact O-CB 3.3Å; M979-T1052 WeakPolarHBondContact O-CB 3.07Å; M979-T1052 WeakPolarHBondContact O-CG2 3.3Å
980S92.8Very high86Confident24 Ų2470.1 Ų70.117%0.16837%0.366CS..SBendtrans-77.1156.8168.573.30000112.6F976 T977 K1049 T1052F976-S980 WeakPolarHBondContact O-CB 3.43Å; F976-S980 PolarHBondContact O-N 2.91Å; T977-S980 PolarHBondContact O-OG 3.44Å; S980-K1049 CarbonylContact C-O 3.27Å; S980-K1049 VanDerWaalsContact C-O 3.29Å; S980-K1049 VanDerWaalsContact O-CG 3.22Å; S980-K1049 WeakPolarHBondContact O-CG 3.49Å; S980-K1049 PolarHBondContact O-NZ 2.83Å; S980-T1052 CarbonylContact C-O 3.58Å
981W95.5Very high86.1Confident53 Ų5364.1 Ų64.120%0.20134%0.34CS..  trans-60.1150.5174.3171.788.6000111.6K983 D1015 K1049 T1052 N1054 P1055W981-K983 HydrophobicContact CH2-CB 3.86Å; W981-K983 HydrophobicContact CH2-CD 4.45Å; W981-K983 HydrophobicContact CZ2-CB 3.97Å; W981-D1015 PolarHBondContact NE1-OD2 2.84Å; W981-K1049 VanDerWaalsContact CA-O 3.25Å; W981-K1049 WeakPolarHBondContact CA-O 3.4Å; W981-K1049 PolarHBondContact N-O 3.31Å; W981-K1049 VanDerWaalsContact N-O 3.1Å; W981-T1052 WeakPolarHBondContact CA-O 3.02Å; W981-T1052 VanDerWaalsContact CB-O 3.23Å; W981-T1052 WeakPolarHBondContact CB-O 3.46Å; W981-T1052 PolarHBondContact N-O 2.92Å; W981-N1054 HydrophobicContact CB-CB 3.79Å; W981-N1054 VanDerWaalsContact CD1-ND2 3.29Å; W981-N1054 HydrophobicContact CD2-CB 4.48Å; W981-N1054 HydrophobicContact CG-CB 3.81Å; W981-P1055 HydrophobicContact CE3-CG 4.3Å; W981-P1055 HydrophobicContact CZ3-CG 4.01Å
982T93Very high86.3Confident34 Ų3464.8 Ų64.821%0.20933%0.333CS..  trans-152.8138172.7-169.70000111.4S984 F1006 Q1010 Q1050T982-S984 PolarHBondContact OG1-N 3.08Å; T982-S984 PolarHBondContact OG1-OG 2.85Å; T982-F1006 HydrophobicContact CG2-CZ 4.19Å; T982-Q1010 PolarHBondContact O-NE2 2.93Å; T982-Q1050 VanDerWaalsContact N-NE2 3.19Å; T982-Q1050 PolarHBondContact O-NE2 3.23Å; T982-Q1050 VanDerWaalsContact O-NE2 3.11Å; T982-Q1050 PolarHBondContact O-OE1 2.92Å
983K87.6Confident86.2Confident139 Ų13959.7 Ų59.760%0.60431%0.31SS*.SBendtrans-79.6-17171.2-163.6166.2-174.5167.70113.2W981 Q1010 D1015W981-K983 HydrophobicContact CH2-CB 3.86Å; W981-K983 HydrophobicContact CH2-CD 4.45Å; W981-K983 HydrophobicContact CZ2-CB 3.97Å; K983-Q1010 PolarHBondContact O-NE2 3.06Å; K983-Q1010 VanDerWaalsContact O-NE2 3.11Å; K983-D1015 WeakPolarHBondContact CE-O 3.35Å
984S84.9Confident86Confident71 Ų7157.2 Ų57.250%0.49730%0.299SS..SBendtrans-69.8154.4-178.4670000112.8T982 F986 F1006 Q1010T982-S984 PolarHBondContact OG1-N 3.08Å; T982-S984 PolarHBondContact OG1-OG 2.85Å; S984-F986 PolarHBondContact O-N 3.43Å; S984-F1006 WeakPolarHBondContact O-CE1 3.47Å; S984-Q1010 PolarHBondContact O-NE2 2.84Å
985N76.1Confident85.6Confident92 Ų9256.9 Ų56.949%0.49230%0.295SS..  trans-69.497.2179.3-69.7-79.4000111.3S987 R1016N985-S987 PolarHBondContact O-N 2.96Å; N985-R1016 PolarHBondContact OD1-NH1 2.84Å
986F76.7Confident85.2Confident22 Ų2259.8 Ų59.810%0.09632%0.316CS..  trans-73.5120177.6-162.4-99.7000111.5L978 S984 K988 I990 F1006L978-F986 HydrophobicContact CD1-CE2 4.12Å; L978-F986 HydrophobicContact CD1-CZ 3.83Å; S984-F986 PolarHBondContact O-N 3.43Å; F986-K988 HydrophobicContact CD1-CB 4.48Å; F986-K988 WeakPolarHBondContact CD1-O 3.36Å; F986-K988 HydrophobicContact CE1-CB 3.81Å; F986-K988 VanDerWaalsContact CE1-O 3.25Å; F986-K988 WeakPolarHBondContact CE1-O 3.34Å; F986-K988 HydrophobicContact CE2-CB 4.26Å; F986-K988 HydrophobicContact CZ-CB 3.71Å; F986-I990 HydrophobicContact CE1-CD1 4.28Å; F986-I990 HydrophobicContact CE1-CG1 3.58Å; F986-I990 HydrophobicContact CZ-CG1 3.88Å; F986-F1006 HydrophobicContact CB-CD1 3.54Å; F986-F1006 HydrophobicContact CB-CD2 3.97Å; F986-F1006 HydrophobicContact CB-CE1 3.41Å; F986-F1006 VanDerWaalsContact CB-CE1 3.41Å; F986-F1006 HydrophobicContact CB-CE2 3.85Å; F986-F1006 HydrophobicContact CB-CG 3.82Å; F986-F1006 HydrophobicContact CB-CZ 3.58Å
987S69.8Low85Confident60 Ų6058.4 Ų58.442%0.4232%0.32SS..  trans-125.212.3-179.3-57.20000113.6N985N985-S987 PolarHBondContact O-N 2.96Å
988K79.5Confident84.7Confident132 Ų13254.8 Ų54.857%0.57430%0.297SS*.SBendtrans-86.9164.5168.1-61.7178.5179.5-179.30108.4F986F986-K988 HydrophobicContact CD1-CB 4.48Å; F986-K988 WeakPolarHBondContact CD1-O 3.36Å; F986-K988 HydrophobicContact CE1-CB 3.81Å; F986-K988 VanDerWaalsContact CE1-O 3.25Å; F986-K988 WeakPolarHBondContact CE1-O 3.34Å; F986-K988 HydrophobicContact CE2-CB 4.26Å; F986-K988 HydrophobicContact CZ-CB 3.71Å
989R86.7Confident84.4Confident61 Ų6160 Ų6023%0.2332%0.319CS..  trans-93.8143.9159.7-55.2-169.3-55.2-77.35107.2S994 E995 V1002 E1042R989-S994 PolarHBondContact NE-O 2.69Å; R989-S994 PolarHBondContact NH2-O 3.36Å; R989-E995 VanDerWaalsContact CD-O 3.25Å; R989-E995 WeakPolarHBondContact CD-O 3.5Å; R989-E995 PolarHBondContact NE-O 2.86Å; R989-E995 VanDerWaalsContact NE-O 3.15Å; R989-V1002 HydrophobicContact CG-CB 4.38Å; R989-V1002 HydrophobicContact CG-CG1 4.14Å; R989-V1002 HydrophobicContact CG-CG2 4.22Å; R989-E1042 WeakPolarHBondContact CA-OE1 3.3Å
990I89Confident84.3Confident2 Ų268.8 Ų68.81%0.0136%0.358CS..SBendtrans-80.8-51.1179.9-61.2-179.9000109.7F969 M979 F986 E1042 A1045 Q1046 K1049F969-I990 HydrophobicContact CD1-CG2 3.82Å; F969-I990 HydrophobicContact CE1-CG2 3.62Å; M979-I990 HydrophobicContact SD-CD1 4.33Å; M979-I990 HydrophobicContact SD-CG2 3.61Å; F986-I990 HydrophobicContact CE1-CD1 4.28Å; F986-I990 HydrophobicContact CE1-CG1 3.58Å; F986-I990 HydrophobicContact CZ-CG1 3.88Å; I990-E1042 PolarHBondContact N-OE1 2.95Å; I990-E1042 PolarHBondContact N-OE2 2.96Å; I990-A1045 HydrophobicContact CB-CB 4.23Å; I990-A1045 HydrophobicContact CD1-CB 4.18Å; I990-A1045 HydrophobicContact CG2-CB 4.07Å; I990-Q1046 HydrophobicContact CD1-CB 4.41Å; I990-Q1046 HydrophobicContact CD1-CG 3.68Å; I990-Q1046 HydrophobicContact CG1-CG 4.47Å; I990-K1049 HydrophobicContact CD1-CB 4.15Å; I990-K1049 HydrophobicContact CD1-CD 3.86Å
991L88.5Confident84.2Confident4 Ų472.2 Ų72.22%0.02137%0.371CS..  trans-89.7143.6-172.9-54.9175000111.9L968 F969 S993 S994 D1041 E1042 A1045 F1080L968-L991 HydrophobicContact CB-CD2 4.2Å; L968-L991 CarbonylContact O-C 3.37Å; L968-L991 WeakPolarHBondContact O-CA 3.34Å; F969-L991 HydrophobicContact CE1-CD2 4.42Å; L991-S993 VanDerWaalsContact C-N 3.28Å; L991-S993 PolarHBondContact O-N 2.8Å; L991-S994 PolarHBondContact O-N 3.32Å; L991-D1041 HydrophobicContact CD1-CB 3.65Å; L991-E1042 PolarHBondContact N-OE2 3.07Å; L991-A1045 HydrophobicContact CD1-CB 4.15Å; L991-A1045 HydrophobicContact CD2-CB 4.21Å; L991-A1045 HydrophobicContact CG-CB 4.04Å; L991-F1080 HydrophobicContact CD1-CD2 4.05Å; L991-F1080 HydrophobicContact CD1-CE2 4.24Å; L991-F1080 HydrophobicContact CD1-CG 4.34Å; L991-F1080 HydrophobicContact CD2-CD2 4.27Å; L991-F1080 HydrophobicContact CD2-CE2 3.97Å
992I83.3Confident84Confident92 Ų9269.8 Ų69.847%0.47236%0.362SS..THydrogen-bonded Turntrans-60.8-40.7170.4-67.1165.3000110.6L968 F969 K970 S994L968-I992 PolarHBondContact O-N 2.73Å; F969-I992 WeakPolarHBondContact O-CD1 3.46Å; K970-I992 HydrophobicContact CG-CG1 4.21Å; I992-S994 PolarHBondContact O-N 2.83Å
993S78.9Confident83.9Confident66 Ų6668.7 Ų68.746%0.46236%0.356SS..THydrogen-bonded Turntrans-65-16.8-176.750.40000114.1L991 E995L991-S993 VanDerWaalsContact C-N 3.28Å; L991-S993 PolarHBondContact O-N 2.8Å; S993-E995 PolarHBondContact O-N 3.36Å
994S79.3Confident84.1Confident4 Ų466.4 Ų66.43%0.02835%0.348CS..SBendtrans-74.7121.5176.7-59.10000110.6R989 L991 I992 E1042R989-S994 PolarHBondContact NE-O 2.69Å; R989-S994 PolarHBondContact NH2-O 3.36Å; L991-S994 PolarHBondContact O-N 3.32Å; I992-S994 PolarHBondContact O-N 2.83Å; S994-E1042 PolarHBondContact OG-OE2 3.09Å
995E81.6Confident84.6Confident84 Ų8463 Ų6339%0.39332%0.324SS..  trans-56.5147.2-173.3-71.4-177.5-15900114.1R989 S993 S997 L998 N1038R989-E995 VanDerWaalsContact CD-O 3.25Å; R989-E995 WeakPolarHBondContact CD-O 3.5Å; R989-E995 PolarHBondContact NE-O 2.86Å; R989-E995 VanDerWaalsContact NE-O 3.15Å; S993-E995 PolarHBondContact O-N 3.36Å; E995-S997 VanDerWaalsContact C-N 3.27Å; E995-S997 WeakPolarHBondContact CB-OG 3.01Å; E995-S997 PolarHBondContact O-N 3.35Å; E995-S997 PolarHBondContact OE2-OG 2.97Å; E995-L998 HydrophobicContact CB-CD1 4.24Å; E995-L998 HydrophobicContact CB-CG 4.18Å; E995-L998 PolarHBondContact O-N 3.47Å; E995-N1038 PolarHBondContact OE1-ND2 3.28Å
996P81.1Confident85.5Confident103 Ų10358.6 Ų58.667%0.66930%0.301SS*.G310 helixtrans-60.9-34.7176.524.8-33.1000113.7L998 K999P996-L998 VanDerWaalsContact C-N 3.25Å; P996-L998 PolarHBondContact O-N 3.22Å; P996-K999 PolarHBondContact O-N 3.08Å
997S85.7Confident86.3Confident78 Ų7860.6 Ų60.655%0.54531%0.309SS..G310 helixtrans-49.5-42.1174.656.40000112.8E995 K999E995-S997 VanDerWaalsContact C-N 3.27Å; E995-S997 WeakPolarHBondContact CB-OG 3.01Å; E995-S997 PolarHBondContact O-N 3.35Å; E995-S997 PolarHBondContact OE2-OG 2.97Å; S997-K999 VanDerWaalsContact C-N 3.29Å; S997-K999 PolarHBondContact O-N 3.39Å
998L83.9Confident87.5Confident12 Ų1258.3 Ų58.36%0.06329%0.293CS..G310 helixtrans-76.7-6.5-168.6-60.9176.2000114.2E995 P996 K1000 Q1001 V1002 N1038E995-L998 HydrophobicContact CB-CD1 4.24Å; E995-L998 HydrophobicContact CB-CG 4.18Å; E995-L998 PolarHBondContact O-N 3.47Å; P996-L998 VanDerWaalsContact C-N 3.25Å; P996-L998 PolarHBondContact O-N 3.22Å; L998-K1000 PolarHBondContact O-N 3.01Å; L998-Q1001 WeakPolarHBondContact O-CA 3.36Å; L998-Q1001 WeakPolarHBondContact O-CB 3.46Å; L998-Q1001 PolarHBondContact O-N 3.4Å; L998-V1002 HydrophobicContact CB-CG2 3.96Å; L998-V1002 WeakPolarHBondContact O-CG2 3.47Å; L998-V1002 PolarHBondContact O-N 3.37Å; L998-N1038 HydrophobicContact CD1-CB 3.8Å
999K86.3Confident88.3Confident123 Ų12352 Ų5254%0.53527%0.266SS..Hα-helixtrans-47.3-39.8-172.9-174-179.5175.5-175.40114P996 S997 A1003P996-K999 PolarHBondContact O-N 3.08Å; S997-K999 VanDerWaalsContact C-N 3.29Å; S997-K999 PolarHBondContact O-N 3.39Å; K999-A1003 WeakPolarHBondContact O-CB 3.28Å; K999-A1003 PolarHBondContact O-N 3.28Å; K999-A1003 VanDerWaalsContact O-N 3.15Å
1000K89.9Confident88.7Confident189 Ų18949.2 Ų49.282%0.82226%0.255SS*.Hα-helixtrans-68.2-42.9175.8-68.8-175.9-179.6178.40112.7L998 Q1004L998-K1000 PolarHBondContact O-N 3.01Å; K1000-Q1004 WeakPolarHBondContact O-CB 3.29Å; K1000-Q1004 PolarHBondContact O-N 3.33Å; K1000-Q1004 VanDerWaalsContact O-N 3.15Å
1001Q90.5Very high89Confident96 Ų9649.6 Ų49.645%0.44926%0.258SS..Hα-helixtrans-65.6-44.6177.1-59.5-174.714.100111L998 Q1004 L1005 L1039L998-Q1001 WeakPolarHBondContact O-CA 3.36Å; L998-Q1001 WeakPolarHBondContact O-CB 3.46Å; L998-Q1001 PolarHBondContact O-N 3.4Å; Q1001-Q1004 CarbonylContact O-C 3.57Å; Q1001-Q1004 PolarHBondContact O-N 2.84Å; Q1001-Q1004 VanDerWaalsContact O-N 3.13Å; Q1001-L1005 WeakPolarHBondContact O-CB 3.5Å; Q1001-L1005 PolarHBondContact O-N 3.44Å; Q1001-L1039 HydrophobicContact CB-CD1 4.49Å
1002V91.2Very high89.4Confident1 Ų149.6 Ų49.61%0.00626%0.257CS..Hα-helixtrans-58.3-50178.7175.30000111.7R989 L998 Q1004 L1005 F1006 L1039 E1042R989-V1002 HydrophobicContact CG-CB 4.38Å; R989-V1002 HydrophobicContact CG-CG1 4.14Å; R989-V1002 HydrophobicContact CG-CG2 4.22Å; L998-V1002 HydrophobicContact CB-CG2 3.96Å; L998-V1002 WeakPolarHBondContact O-CG2 3.47Å; L998-V1002 PolarHBondContact O-N 3.37Å; V1002-Q1004 VanDerWaalsContact C-N 3.27Å; V1002-Q1004 PolarHBondContact O-N 3.49Å; V1002-L1005 PolarHBondContact O-N 2.9Å; V1002-F1006 PolarHBondContact O-N 3.06Å; V1002-F1006 VanDerWaalsContact O-N 3.08Å; V1002-L1039 HydrophobicContact CG2-CD1 3.8Å; V1002-E1042 HydrophobicContact CB-CG 4.38Å; V1002-E1042 HydrophobicContact CG1-CG 3.63Å; V1002-E1042 VanDerWaalsContact CG1-OE1 3.28Å; V1002-E1042 WeakPolarHBondContact CG1-OE1 3.29Å; V1002-E1042 HydrophobicContact CG2-CG 3.83Å
1003A91.8Very high89.9Confident12 Ų1245.2 Ų45.210%0.09924%0.235CC..Hα-helixtrans-66.1-27.9176.700000113.2K999 K1007K999-A1003 WeakPolarHBondContact O-CB 3.28Å; K999-A1003 PolarHBondContact O-N 3.28Å; K999-A1003 VanDerWaalsContact O-N 3.15Å; A1003-K1007 WeakPolarHBondContact O-CE 2.93Å; A1003-K1007 WeakPolarHBondContact O-CG 3.11Å
1004Q92.3Very high90.6Very high90 Ų9044.5 Ų44.542%0.42124%0.238SC..Hα-helixtrans-87.1-17.3177.4-167.363.95.200113K1000 Q1001 V1002 V1008 R1032K1000-Q1004 WeakPolarHBondContact O-CB 3.29Å; K1000-Q1004 PolarHBondContact O-N 3.33Å; K1000-Q1004 VanDerWaalsContact O-N 3.15Å; Q1001-Q1004 CarbonylContact O-C 3.57Å; Q1001-Q1004 PolarHBondContact O-N 2.84Å; Q1001-Q1004 VanDerWaalsContact O-N 3.13Å; V1002-Q1004 VanDerWaalsContact C-N 3.27Å; V1002-Q1004 PolarHBondContact O-N 3.49Å; Q1004-V1008 WeakPolarHBondContact O-CG2 3.47Å; Q1004-R1032 PolarHBondContact O-NH1 3.4Å
1005L94.3Very high91.2Very high0 Ų045.3 Ų45.30%024%0.242CC..Hα-helixtrans-75.7-49.5169.4-177.369.3000110.2Q1001 V1002 K1007 V1008 I1009 I1029 L1039 L1043Q1001-L1005 WeakPolarHBondContact O-CB 3.5Å; Q1001-L1005 PolarHBondContact O-N 3.44Å; V1002-L1005 PolarHBondContact O-N 2.9Å; L1005-K1007 VanDerWaalsContact C-N 3.28Å; L1005-K1007 PolarHBondContact O-N 3.3Å; L1005-V1008 WeakPolarHBondContact O-CA 3.43Å; L1005-V1008 WeakPolarHBondContact O-CB 3.12Å; L1005-V1008 PolarHBondContact O-N 3.46Å; L1005-I1009 HydrophobicContact CG-CD1 4.16Å; L1005-I1009 HydrophobicContact CG-CG1 4.47Å; L1005-I1009 PolarHBondContact O-N 3.23Å; L1005-I1029 HydrophobicContact CD1-CG1 4.3Å; L1005-I1029 HydrophobicContact CD1-CG2 4.4Å; L1005-L1039 HydrophobicContact CD2-CD1 4.03Å; L1005-L1039 HydrophobicContact CD2-CD2 4.14Å; L1005-L1039 HydrophobicContact CD2-CG 3.89Å; L1005-L1043 HydrophobicContact CD1-CD1 4.5Å; L1005-L1043 HydrophobicContact CD2-CB 3.9Å; L1005-L1043 HydrophobicContact CD2-CD1 4.06Å; L1005-L1043 HydrophobicContact CD2-CG 4.46Å; L1005-L1043 HydrophobicContact CG-CD1 4.44Å
1006F95.1Very high91.7Very high0 Ų045.7 Ų45.70%024%0.24CC..Hα-helixtrans-52.8-43.6179.3-172.6-98.1000112.9T982 S984 F986 V1002 V1008 I1009 Q1010 Q1046 Q1050T982-F1006 HydrophobicContact CG2-CZ 4.19Å; S984-F1006 WeakPolarHBondContact O-CE1 3.47Å; F986-F1006 HydrophobicContact CB-CD1 3.54Å; F986-F1006 HydrophobicContact CB-CD2 3.97Å; F986-F1006 HydrophobicContact CB-CE1 3.41Å; F986-F1006 VanDerWaalsContact CB-CE1 3.41Å; F986-F1006 HydrophobicContact CB-CE2 3.85Å; F986-F1006 HydrophobicContact CB-CG 3.82Å; F986-F1006 HydrophobicContact CB-CZ 3.58Å; V1002-F1006 PolarHBondContact O-N 3.06Å; V1002-F1006 VanDerWaalsContact O-N 3.08Å; F1006-V1008 VanDerWaalsContact C-N 3.26Å; F1006-V1008 PolarHBondContact O-N 3.3Å; F1006-I1009 WeakPolarHBondContact O-CB 3.27Å; F1006-I1009 PolarHBondContact O-N 3.23Å; F1006-Q1010 HydrophobicContact CD1-CG 4.2Å; F1006-Q1010 HydrophobicContact CE1-CG 3.79Å; F1006-Q1010 VanDerWaalsContact CE1-NE2 3.3Å; F1006-Q1010 HydrophobicContact CZ-CG 4.12Å; F1006-Q1010 PolarHBondContact O-N 2.82Å; F1006-Q1046 HydrophobicContact CD2-CB 4.35Å; F1006-Q1046 HydrophobicContact CD2-CG 4.09Å; F1006-Q1050 HydrophobicContact CE2-CG 3.91Å; F1006-Q1050 HydrophobicContact CZ-CG 4.42Å
1007K94.5Very high92.1Very high63 Ų6350.1 Ų50.127%0.27425%0.248SC..Hα-helixtrans-61.5-31.4175.3-63.6174.3-156.5161.60113.5A1003 L1005 S1011A1003-K1007 WeakPolarHBondContact O-CE 2.93Å; A1003-K1007 WeakPolarHBondContact O-CG 3.11Å; L1005-K1007 VanDerWaalsContact C-N 3.28Å; L1005-K1007 PolarHBondContact O-N 3.3Å; K1007-S1011 PolarHBondContact O-N 2.81Å; K1007-S1011 VanDerWaalsContact O-N 3.15Å; K1007-S1011 PolarHBondContact O-OG 3.43Å
1008V95Very high92.1Very high13 Ų1348.6 Ų48.68%0.07924%0.241CC..Hα-helixtrans-78.9-38.8177.9-179.30000110.2Q1004 L1005 F1006 Q1010 S1011 F1012 Y1025 I1028 I1029Q1004-V1008 WeakPolarHBondContact O-CG2 3.47Å; L1005-V1008 WeakPolarHBondContact O-CA 3.43Å; L1005-V1008 WeakPolarHBondContact O-CB 3.12Å; L1005-V1008 PolarHBondContact O-N 3.46Å; F1006-V1008 VanDerWaalsContact C-N 3.26Å; F1006-V1008 PolarHBondContact O-N 3.3Å; V1008-Q1010 PolarHBondContact O-N 3.29Å; V1008-S1011 WeakPolarHBondContact O-CB 3.2Å; V1008-S1011 PolarHBondContact O-N 3.39Å; V1008-F1012 PolarHBondContact O-N 3.42Å; V1008-Y1025 HydrophobicContact CG1-CD1 3.7Å; V1008-Y1025 HydrophobicContact CG1-CE1 4.46Å; V1008-Y1025 HydrophobicContact CG1-CG 4.29Å; V1008-I1028 HydrophobicContact CG1-CG2 4.23Å; V1008-I1029 HydrophobicContact CB-CG1 4.35Å; V1008-I1029 HydrophobicContact CG1-CD1 3.96Å; V1008-I1029 HydrophobicContact CG1-CG1 3.66Å
1009I96Very high92.4Very high0 Ų058.8 Ų58.80%028%0.278CS..Hα-helixtrans-55.4-52169.7-63170.9000110L1005 F1006 S1011 F1012 M1013 I1029 L1043 Q1046 L1047 Q1050 L1066L1005-I1009 HydrophobicContact CG-CD1 4.16Å; L1005-I1009 HydrophobicContact CG-CG1 4.47Å; L1005-I1009 PolarHBondContact O-N 3.23Å; F1006-I1009 WeakPolarHBondContact O-CB 3.27Å; F1006-I1009 PolarHBondContact O-N 3.23Å; I1009-S1011 PolarHBondContact O-N 3.49Å; I1009-F1012 WeakPolarHBondContact O-CB 3.49Å; I1009-F1012 PolarHBondContact O-N 3.17Å; I1009-F1012 VanDerWaalsContact O-N 3.09Å; I1009-M1013 HydrophobicContact CG2-CG 4.31Å; I1009-M1013 HydrophobicContact CG2-SD 3.59Å; I1009-M1013 VanDerWaalsContact CG2-SD 3.59Å; I1009-M1013 WeakPolarHBondContact O-CG 3.49Å; I1009-M1013 PolarHBondContact O-N 3.1Å; I1009-I1029 HydrophobicContact CG1-CD1 4.09Å; I1009-L1043 HydrophobicContact CD1-CD1 3.6Å; I1009-L1043 HydrophobicContact CG1-CD1 4.13Å; I1009-Q1046 HydrophobicContact CD1-CB 3.81Å; I1009-L1047 HydrophobicContact CD1-CD2 4.43Å; I1009-L1047 HydrophobicContact CD1-CG 4.5Å; I1009-L1047 HydrophobicContact CG1-CD2 4.49Å; I1009-L1047 HydrophobicContact CG2-CD2 3.76Å; I1009-Q1050 HydrophobicContact CG2-CG 4.49Å; I1009-L1066 HydrophobicContact CG2-CD2 4.47Å
1010Q95Very high92.7Very high2 Ų257 Ų571%0.00927%0.274CS..Hα-helixtrans-59.5-30.2175.6-71.3-172-44.800113.7T982 K983 S984 F1006 V1008 G1014 D1015 R1016T982-Q1010 PolarHBondContact O-NE2 2.93Å; K983-Q1010 PolarHBondContact O-NE2 3.06Å; K983-Q1010 VanDerWaalsContact O-NE2 3.11Å; S984-Q1010 PolarHBondContact O-NE2 2.84Å; F1006-Q1010 HydrophobicContact CD1-CG 4.2Å; F1006-Q1010 HydrophobicContact CE1-CG 3.79Å; F1006-Q1010 VanDerWaalsContact CE1-NE2 3.3Å; F1006-Q1010 HydrophobicContact CZ-CG 4.12Å; F1006-Q1010 PolarHBondContact O-N 2.82Å; V1008-Q1010 PolarHBondContact O-N 3.29Å; Q1010-G1014 PolarHBondContact O-N 2.86Å; Q1010-G1014 VanDerWaalsContact O-N 3.13Å; Q1010-D1015 HydrophobicContact CB-CB 4.17Å; Q1010-D1015 HydrophobicContact CG-CB 4.33Å; Q1010-D1015 PolarHBondContact O-N 3.38Å; Q1010-D1015 VanDerWaalsContact O-N 3.12Å; Q1010-R1016 HydrophobicContact CB-CB 3.91Å; Q1010-R1016 PolarHBondContact O-N 2.88Å
1011S95.5Very high92.8Very high9 Ų950.3 Ų50.36%0.06325%0.251CS..Hα-helixtrans-77.3-30.3177-53.30000112.7K1007 V1008 I1009 R1016K1007-S1011 PolarHBondContact O-N 2.81Å; K1007-S1011 VanDerWaalsContact O-N 3.15Å; K1007-S1011 PolarHBondContact O-OG 3.43Å; V1008-S1011 WeakPolarHBondContact O-CB 3.2Å; V1008-S1011 PolarHBondContact O-N 3.39Å; I1009-S1011 PolarHBondContact O-N 3.49Å; S1011-R1016 WeakPolarHBondContact OG-CD 3.36Å
1012F95.4Very high92.8Very high4 Ų447.5 Ų47.52%0.01824%0.239CC..Hα-helixtrans-72.7-43.2170.9-175.1-76.2000111.2W922 V1008 I1009 L1022 I1029 N1062 L1066W922-F1012 AromaticContact CH2-CZ 3.94Å; W922-F1012 HydrophobicContact CH2-CZ 3.94Å; V1008-F1012 PolarHBondContact O-N 3.42Å; I1009-F1012 WeakPolarHBondContact O-CB 3.49Å; I1009-F1012 PolarHBondContact O-N 3.17Å; I1009-F1012 VanDerWaalsContact O-N 3.09Å; F1012-L1022 HydrophobicContact CD2-CB 4.37Å; F1012-L1022 HydrophobicContact CD2-CG 4.45Å; F1012-L1022 WeakPolarHBondContact CD2-O 3.49Å; F1012-L1022 HydrophobicContact CE2-CB 4.22Å; F1012-L1022 WeakPolarHBondContact CE2-O 3.35Å; F1012-L1022 HydrophobicContact CG-CG 4.48Å; F1012-L1022 WeakPolarHBondContact O-CD2 3.45Å; F1012-L1022 WeakPolarHBondContact O-CG 3.19Å; F1012-I1029 HydrophobicContact CB-CD1 4.36Å; F1012-N1062 HydrophobicContact CD1-CB 4.27Å; F1012-N1062 HydrophobicContact CE1-CB 4.21Å; F1012-N1062 WeakPolarHBondContact CE1-O 3.26Å; F1012-L1066 HydrophobicContact CB-CD2 4.22Å; F1012-L1066 HydrophobicContact CD1-CB 3.98Å; F1012-L1066 HydrophobicContact CD1-CD2 3.78Å; F1012-L1066 HydrophobicContact CD1-CG 4.32Å; F1012-L1066 HydrophobicContact CD2-CD1 4.32Å; F1012-L1066 HydrophobicContact CD2-CD2 4.49Å; F1012-L1066 HydrophobicContact CE1-CB 3.67Å; F1012-L1066 HydrophobicContact CE1-CD1 4.4Å; F1012-L1066 HydrophobicContact CE1-CD2 4.29Å; F1012-L1066 HydrophobicContact CE1-CG 4.34Å; F1012-L1066 HydrophobicContact CE2-CD1 4.16Å; F1012-L1066 HydrophobicContact CG-CD2 3.92Å; F1012-L1066 HydrophobicContact CZ-CB 4.13Å; F1012-L1066 HydrophobicContact CZ-CD1 4.2Å
1013M95.2Very high92.8Very high1 Ų148.4 Ų48.41%0.00525%0.245CC..Hα-helixtrans-70.2-33.9-176.3-68.8179.163.300112.4I1009 Q1050 S1059 N1062I1009-M1013 HydrophobicContact CG2-CG 4.31Å; I1009-M1013 HydrophobicContact CG2-SD 3.59Å; I1009-M1013 VanDerWaalsContact CG2-SD 3.59Å; I1009-M1013 WeakPolarHBondContact O-CG 3.49Å; I1009-M1013 PolarHBondContact O-N 3.1Å; M1013-Q1050 HydrophobicContact CE-CB 3.61Å; M1013-Q1050 HydrophobicContact SD-CB 3.66Å; M1013-Q1050 HydrophobicContact SD-CG 4.29Å; M1013-S1059 VanDerWaalsContact CE-O 3.32Å; M1013-S1059 WeakPolarHBondContact CE-O 3.31Å; M1013-S1059 WeakPolarHBondContact CE-OG 3.27Å; M1013-S1059 WeakPolarHBondContact O-CA 3.29Å; M1013-N1062 HydrophobicContact CG-CB 4.49Å; M1013-N1062 PolarHBondContact O-ND2 3.15Å
1014G92.9Very high92.9Very high51 Ų5150 Ų5053%0.52625%0.252SS..SBendtrans114.1-12.4-179.900000113.6Q1010 R1016Q1010-G1014 PolarHBondContact O-N 2.86Å; Q1010-G1014 VanDerWaalsContact O-N 3.13Å; G1014-R1016 PolarHBondContact O-N 3.4Å; G1014-R1016 VanDerWaalsContact O-N 3.09Å
1015D92.1Very high93.1Very high20 Ų2046.6 Ų46.611%0.10724%0.235CC..SBendtrans-57.8-24.2177.4-63.2-21.2000113.2W981 K983 Q1010 S1059W981-D1015 PolarHBondContact NE1-OD2 2.84Å; K983-D1015 WeakPolarHBondContact CE-O 3.35Å; Q1010-D1015 HydrophobicContact CB-CB 4.17Å; Q1010-D1015 HydrophobicContact CG-CB 4.33Å; Q1010-D1015 PolarHBondContact O-N 3.38Å; Q1010-D1015 VanDerWaalsContact O-N 3.12Å; D1015-S1059 VanDerWaalsContact CG-OG 3.25Å; D1015-S1059 VanDerWaalsContact OD1-CB 3.27Å; D1015-S1059 WeakPolarHBondContact OD1-CB 3.34Å; D1015-S1059 PolarHBondContact OD1-OG 3.41Å; D1015-S1059 PolarHBondContact OD2-OG 3.03Å
1016R91.9Very high93.1Very high93 Ų9346.6 Ų46.635%0.35124%0.236SC..SBendtrans-122.8138.7175.7-168.1-171-158.796.64.1110.5N985 Q1010 S1011 G1014 A1018N985-R1016 PolarHBondContact OD1-NH1 2.84Å; Q1010-R1016 HydrophobicContact CB-CB 3.91Å; Q1010-R1016 PolarHBondContact O-N 2.88Å; S1011-R1016 WeakPolarHBondContact OG-CD 3.36Å; G1014-R1016 PolarHBondContact O-N 3.4Å; G1014-R1016 VanDerWaalsContact O-N 3.09Å; R1016-A1018 PolarHBondContact O-N 3.23Å
1017K89.3Confident93.1Very high195 Ų19547.3 Ų47.385%0.84824%0.24SC*.  trans-53114.5176.8-176171.9-176.9173.40111.4
1018A86.3Confident93.1Very high46 Ų4646.9 Ų46.938%0.3824%0.241SC..  trans-62.5149.8175.800000112.2R1016 Y1025R1016-A1018 PolarHBondContact O-N 3.23Å; A1018-Y1025 HydrophobicContact CB-CE2 3.94Å
1019R90Very high93.1Very high226 Ų22646.3 Ų46.385%0.85324%0.237SC*.SBendtrans-129.6-2.9173.8-60.6-174.867157.12.2112.9Y1025R1019-Y1025 PolarHBondContact N-OH 3.24Å
1020L91.8Very high93Very high86 Ų8646.3 Ų46.345%0.4524%0.237SC..SBendtrans-139.9171.7177.4-58.6175000107.1D1024 Y1025 I1028L1020-D1024 HydrophobicContact CB-CB 3.76Å; L1020-D1024 HydrophobicContact CD1-CB 4.23Å; L1020-Y1025 HydrophobicContact CB-CD1 4.39Å; L1020-Y1025 HydrophobicContact CB-CD2 4.44Å; L1020-Y1025 HydrophobicContact CB-CE1 4.05Å; L1020-Y1025 HydrophobicContact CB-CE2 4.08Å; L1020-Y1025 HydrophobicContact CD1-CD1 4.13Å; L1020-Y1025 HydrophobicContact CD1-CE1 3.82Å; L1020-Y1025 HydrophobicContact CG-CE1 4.14Å; L1020-I1028 HydrophobicContact CD1-CD1 3.58Å
1021S92.1Very high93Very high49 Ų4949.9 Ų49.934%0.34325%0.254SS..  trans-70.6163.5172.776.70000111.8P1023 D1024 Y1025S1021-P1023 WeakPolarHBondContact OG-CD 3.21Å; S1021-D1024 WeakPolarHBondContact CA-OD2 3.39Å; S1021-D1024 VanDerWaalsContact CB-OD2 3.22Å; S1021-D1024 WeakPolarHBondContact CB-OD2 3.44Å; S1021-D1024 PolarHBondContact N-OD2 3.29Å; S1021-D1024 PolarHBondContact O-N 3.33Å; S1021-D1024 PolarHBondContact OG-N 2.75Å; S1021-D1024 PolarHBondContact OG-OD2 3.49Å; S1021-Y1025 WeakPolarHBondContact O-CD2 3.2Å; S1021-Y1025 PolarHBondContact O-N 3.44Å
1022L91.2Very high92.9Very high37 Ų3752.9 Ų52.919%0.19426%0.264CS..Hα-helixtrans-60.2-45.8172.3-91.665.7000111.8W922 F1012 D1024 Y1025 G1026W922-L1022 HydrophobicContact CZ3-CB 4.36Å; W922-L1022 HydrophobicContact CZ3-CD2 4.47Å; F1012-L1022 HydrophobicContact CD2-CB 4.37Å; F1012-L1022 HydrophobicContact CD2-CG 4.45Å; F1012-L1022 WeakPolarHBondContact CD2-O 3.49Å; F1012-L1022 HydrophobicContact CE2-CB 4.22Å; F1012-L1022 WeakPolarHBondContact CE2-O 3.35Å; F1012-L1022 HydrophobicContact CG-CG 4.48Å; F1012-L1022 WeakPolarHBondContact O-CD2 3.45Å; F1012-L1022 WeakPolarHBondContact O-CG 3.19Å; L1022-D1024 VanDerWaalsContact C-N 3.34Å; L1022-D1024 PolarHBondContact O-N 2.85Å; L1022-Y1025 PolarHBondContact O-N 3.24Å; L1022-G1026 PolarHBondContact O-N 2.88Å
1023P91.6Very high92.7Very high20 Ų2052.8 Ų52.813%0.1326%0.263CS..Hα-helixtrans-53.7-43172.2-30.837.4000114.7S1021 Y1025 G1026 S1027 I1218 I1221 C1222S1021-P1023 WeakPolarHBondContact OG-CD 3.21Å; P1023-Y1025 PolarHBondContact O-N 3.49Å; P1023-G1026 WeakPolarHBondContact O-CA 3.42Å; P1023-G1026 PolarHBondContact O-N 2.71Å; P1023-G1026 VanDerWaalsContact O-N 3.15Å; P1023-S1027 PolarHBondContact O-N 3.37Å; P1023-I1218 HydrophobicContact CB-CG2 3.88Å; P1023-I1221 HydrophobicContact CB-CG2 4.22Å; P1023-C1222 VanDerWaalsContact CG-SG 3.59Å
1024D94.2Very high92.5Very high46 Ų4653.9 Ų53.925%0.24627%0.269CS..Hα-helixtrans-58.5-47.6175.8-62.3-52.2000111.2L1020 S1021 L1022 G1026 S1027 I1028 I1218L1020-D1024 HydrophobicContact CB-CB 3.76Å; L1020-D1024 HydrophobicContact CD1-CB 4.23Å; S1021-D1024 WeakPolarHBondContact CA-OD2 3.39Å; S1021-D1024 VanDerWaalsContact CB-OD2 3.22Å; S1021-D1024 WeakPolarHBondContact CB-OD2 3.44Å; S1021-D1024 PolarHBondContact N-OD2 3.29Å; S1021-D1024 PolarHBondContact O-N 3.33Å; S1021-D1024 PolarHBondContact OG-N 2.75Å; S1021-D1024 PolarHBondContact OG-OD2 3.49Å; L1022-D1024 VanDerWaalsContact C-N 3.34Å; L1022-D1024 PolarHBondContact O-N 2.85Å; D1024-G1026 VanDerWaalsContact C-N 3.3Å; D1024-G1026 PolarHBondContact O-N 2.62Å; D1024-S1027 PolarHBondContact O-N 3.28Å; D1024-I1028 WeakPolarHBondContact O-CB 3.39Å; D1024-I1028 WeakPolarHBondContact O-CD1 3.32Å; D1024-I1028 VanDerWaalsContact O-CG1 3.25Å; D1024-I1028 WeakPolarHBondContact O-CG1 3.29Å; D1024-I1028 PolarHBondContact O-N 3.01Å; D1024-I1218 WeakPolarHBondContact OD1-CD1 3.47Å
1025Y96.3Very high92.3Very high17 Ų1755.4 Ų55.47%0.06727%0.272CS..Hα-helixtrans-64.4-35.7177.1-72.2-47.6000112.3V1008 A1018 R1019 L1020 S1021 L1022 P1023 I1028 I1029V1008-Y1025 HydrophobicContact CG1-CD1 3.7Å; V1008-Y1025 HydrophobicContact CG1-CE1 4.46Å; V1008-Y1025 HydrophobicContact CG1-CG 4.29Å; A1018-Y1025 HydrophobicContact CB-CE2 3.94Å; R1019-Y1025 PolarHBondContact N-OH 3.24Å; L1020-Y1025 HydrophobicContact CB-CD1 4.39Å; L1020-Y1025 HydrophobicContact CB-CD2 4.44Å; L1020-Y1025 HydrophobicContact CB-CE1 4.05Å; L1020-Y1025 HydrophobicContact CB-CE2 4.08Å; L1020-Y1025 HydrophobicContact CD1-CD1 4.13Å; L1020-Y1025 HydrophobicContact CD1-CE1 3.82Å; L1020-Y1025 HydrophobicContact CG-CE1 4.14Å; S1021-Y1025 WeakPolarHBondContact O-CD2 3.2Å; S1021-Y1025 PolarHBondContact O-N 3.44Å; L1022-Y1025 PolarHBondContact O-N 3.24Å; P1023-Y1025 PolarHBondContact O-N 3.49Å; Y1025-I1028 HydrophobicContact CD1-CD1 4.45Å; Y1025-I1028 PolarHBondContact O-N 3.03Å; Y1025-I1029 WeakPolarHBondContact O-CB 3.35Å; Y1025-I1029 VanDerWaalsContact O-CG1 3.22Å; Y1025-I1029 WeakPolarHBondContact O-CG1 3.28Å; Y1025-I1029 PolarHBondContact O-N 2.68Å
1026G94.7Very high92.1Very high1 Ų155.6 Ų55.61%0.0127%0.274CS..Hα-helixtrans-59-54172.100000111.3L1022 P1023 D1024 I1028 I1029 I1030L1022-G1026 PolarHBondContact O-N 2.88Å; P1023-G1026 WeakPolarHBondContact O-CA 3.42Å; P1023-G1026 PolarHBondContact O-N 2.71Å; P1023-G1026 VanDerWaalsContact O-N 3.15Å; D1024-G1026 VanDerWaalsContact C-N 3.3Å; D1024-G1026 PolarHBondContact O-N 2.62Å; G1026-I1028 VanDerWaalsContact C-N 3.33Å; G1026-I1028 PolarHBondContact O-N 2.76Å; G1026-I1029 PolarHBondContact O-N 3.09Å; G1026-I1029 VanDerWaalsContact O-N 3.14Å; G1026-I1030 VanDerWaalsContact O-CD1 3.3Å; G1026-I1030 WeakPolarHBondContact O-CD1 3.25Å; G1026-I1030 WeakPolarHBondContact O-CG1 3.22Å; G1026-I1030 PolarHBondContact O-N 3.19Å
1027S93.7Very high91.9Very high14 Ų1452.9 Ų52.910%0.09827%0.272CS..Hα-helixtrans-56.7-43.8177.2-177.30000112.2P1023 D1024 I1029 I1030 H1031 P1216P1023-S1027 PolarHBondContact O-N 3.37Å; D1024-S1027 PolarHBondContact O-N 3.28Å; S1027-I1029 PolarHBondContact O-N 3.49Å; S1027-I1030 PolarHBondContact O-N 3.33Å; S1027-H1031 VanDerWaalsContact O-CB 3.22Å; S1027-H1031 WeakPolarHBondContact O-CB 3.36Å; S1027-H1031 PolarHBondContact O-N 3.38Å; S1027-P1216 WeakPolarHBondContact CB-O 3.32Å; S1027-P1216 PolarHBondContact OG-O 3.48Å
1028I94.7Very high91.7Very high55 Ų5547.2 Ų47.228%0.28225%0.251SS..Hα-helixtrans-62.4-41.5176.3-69.5164.1000112.3V1008 L1020 D1024 Y1025 G1026 R1032V1008-I1028 HydrophobicContact CG1-CG2 4.23Å; L1020-I1028 HydrophobicContact CD1-CD1 3.58Å; D1024-I1028 WeakPolarHBondContact O-CB 3.39Å; D1024-I1028 WeakPolarHBondContact O-CD1 3.32Å; D1024-I1028 VanDerWaalsContact O-CG1 3.25Å; D1024-I1028 WeakPolarHBondContact O-CG1 3.29Å; D1024-I1028 PolarHBondContact O-N 3.01Å; Y1025-I1028 HydrophobicContact CD1-CD1 4.45Å; Y1025-I1028 PolarHBondContact O-N 3.03Å; G1026-I1028 VanDerWaalsContact C-N 3.33Å; G1026-I1028 PolarHBondContact O-N 2.76Å; I1028-R1032 VanDerWaalsContact O-CG 3.26Å; I1028-R1032 WeakPolarHBondContact O-CG 3.49Å; I1028-R1032 PolarHBondContact O-N 3.45Å
1029I95.5Very high92Very high0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-65.9-48178-72.6168.4000110.3L1005 V1008 I1009 F1012 Y1025 G1026 S1027 R1032 A1033 L1043 L1066L1005-I1029 HydrophobicContact CD1-CG1 4.3Å; L1005-I1029 HydrophobicContact CD1-CG2 4.4Å; V1008-I1029 HydrophobicContact CB-CG1 4.35Å; V1008-I1029 HydrophobicContact CG1-CD1 3.96Å; V1008-I1029 HydrophobicContact CG1-CG1 3.66Å; I1009-I1029 HydrophobicContact CG1-CD1 4.09Å; F1012-I1029 HydrophobicContact CB-CD1 4.36Å; Y1025-I1029 WeakPolarHBondContact O-CB 3.35Å; Y1025-I1029 VanDerWaalsContact O-CG1 3.22Å; Y1025-I1029 WeakPolarHBondContact O-CG1 3.28Å; Y1025-I1029 PolarHBondContact O-N 2.68Å; G1026-I1029 PolarHBondContact O-N 3.09Å; G1026-I1029 VanDerWaalsContact O-N 3.14Å; S1027-I1029 PolarHBondContact O-N 3.49Å; I1029-R1032 PolarHBondContact O-N 2.95Å; I1029-A1033 PolarHBondContact O-N 2.92Å; I1029-A1033 VanDerWaalsContact O-N 3.09Å; I1029-L1043 HydrophobicContact CG2-CD1 3.81Å; I1029-L1043 HydrophobicContact CG2-CD2 3.77Å; I1029-L1043 HydrophobicContact CG2-CG 4.48Å; I1029-L1066 HydrophobicContact CD1-CD1 4.17Å; I1029-L1066 HydrophobicContact CD1-CD2 3.71Å; I1029-L1066 HydrophobicContact CG2-CD1 4.44Å
1030I94.7Very high92.1Very high0 Ų035.6 Ų35.60%020%0.198CC..Hα-helixtrans-67.2-45.1-176.9-67.5153.7000110.6G1026 S1027 R1032 A1033 L1034 V1069 Y1073 F1074 P1216 I1221G1026-I1030 VanDerWaalsContact O-CD1 3.3Å; G1026-I1030 WeakPolarHBondContact O-CD1 3.25Å; G1026-I1030 WeakPolarHBondContact O-CG1 3.22Å; G1026-I1030 PolarHBondContact O-N 3.19Å; S1027-I1030 PolarHBondContact O-N 3.33Å; I1030-R1032 PolarHBondContact O-N 3.4Å; I1030-A1033 CarbonylContact O-C 3.37Å; I1030-A1033 PolarHBondContact O-N 2.95Å; I1030-A1033 VanDerWaalsContact O-N 3.14Å; I1030-L1034 HydrophobicContact CG2-CD1 3.82Å; I1030-L1034 HydrophobicContact CG2-CG 4.2Å; I1030-L1034 WeakPolarHBondContact O-CB 3.49Å; I1030-L1034 WeakPolarHBondContact O-CG 3.28Å; I1030-L1034 PolarHBondContact O-N 3.22Å; I1030-V1069 HydrophobicContact CD1-CG1 3.53Å; I1030-Y1073 HydrophobicContact CD1-CD2 3.84Å; I1030-Y1073 HydrophobicContact CD1-CE2 3.87Å; I1030-Y1073 HydrophobicContact CG1-CD2 4.2Å; I1030-Y1073 HydrophobicContact CG2-CD1 4.05Å; I1030-Y1073 HydrophobicContact CG2-CD2 3.76Å; I1030-Y1073 HydrophobicContact CG2-CE2 4.27Å; I1030-Y1073 HydrophobicContact CG2-CG 3.65Å; I1030-F1074 HydrophobicContact CG2-CE1 4.29Å; I1030-P1216 HydrophobicContact CB-CG 4.21Å; I1030-P1216 HydrophobicContact CG2-CG 3.84Å; I1030-I1221 HydrophobicContact CD1-CD1 3.36Å
1031H93.7Very high92.3Very high77 Ų7732.1 Ų32.136%0.35618%0.179SC..Hα-helixtrans-56-48.5175.4-177.4-110.4000111.6S1027 A1033 L1034 S1035S1027-H1031 VanDerWaalsContact O-CB 3.22Å; S1027-H1031 WeakPolarHBondContact O-CB 3.36Å; S1027-H1031 PolarHBondContact O-N 3.38Å; H1031-A1033 VanDerWaalsContact C-N 3.31Å; H1031-A1033 PolarHBondContact O-N 3.47Å; H1031-L1034 PolarHBondContact O-N 3.5Å; H1031-S1035 PolarHBondContact O-N 3.26Å; H1031-S1035 PolarHBondContact O-OG 3.45Å
1032R93.1Very high92.3Very high73 Ų7329.8 Ų29.828%0.27516%0.163SC..Hα-helixtrans-58.7-40.4176.5-73.1173.7-176.3-1777.3113Q1004 I1028 I1029 I1030 S1036 L1039Q1004-R1032 PolarHBondContact O-NH1 3.4Å; I1028-R1032 VanDerWaalsContact O-CG 3.26Å; I1028-R1032 WeakPolarHBondContact O-CG 3.49Å; I1028-R1032 PolarHBondContact O-N 3.45Å; I1029-R1032 PolarHBondContact O-N 2.95Å; I1030-R1032 PolarHBondContact O-N 3.4Å; R1032-S1036 WeakPolarHBondContact O-CB 3.19Å; R1032-S1036 PolarHBondContact O-N 2.94Å; R1032-L1039 HydrophobicContact CB-CD2 4.24Å
1033A92.3Very high92.6Very high1 Ų128 Ų281%0.00815%0.154CC..Hα-helixtrans-75.5-28.1179.600000113.1I1029 I1030 H1031 R1040 L1043 F1074I1029-A1033 PolarHBondContact O-N 2.92Å; I1029-A1033 VanDerWaalsContact O-N 3.09Å; I1030-A1033 CarbonylContact O-C 3.37Å; I1030-A1033 PolarHBondContact O-N 2.95Å; I1030-A1033 VanDerWaalsContact O-N 3.14Å; H1031-A1033 VanDerWaalsContact C-N 3.31Å; H1031-A1033 PolarHBondContact O-N 3.47Å; A1033-R1040 HydrophobicContact CB-CG 4.25Å; A1033-R1040 WeakPolarHBondContact O-CG 3.33Å; A1033-R1040 PolarHBondContact O-NE 3.15Å; A1033-R1040 PolarHBondContact O-NH2 3.01Å; A1033-L1043 HydrophobicContact CB-CD2 3.7Å; A1033-F1074 HydrophobicContact CB-CD1 4.34Å; A1033-F1074 HydrophobicContact CB-CE1 3.55Å; A1033-F1074 HydrophobicContact CB-CE2 3.94Å; A1033-F1074 HydrophobicContact CB-CZ 3.32Å
1034L90.1Very high92.8Very high25 Ų2527.1 Ų27.113%0.13115%0.148CC..Hα-helixtrans-70.1-50170.1-70.7174.1000110.5I1030 H1031 S1036 R1040 F1074 V1209 T1212I1030-L1034 HydrophobicContact CG2-CD1 3.82Å; I1030-L1034 HydrophobicContact CG2-CG 4.2Å; I1030-L1034 WeakPolarHBondContact O-CB 3.49Å; I1030-L1034 WeakPolarHBondContact O-CG 3.28Å; I1030-L1034 PolarHBondContact O-N 3.22Å; H1031-L1034 PolarHBondContact O-N 3.5Å; L1034-S1036 VanDerWaalsContact C-N 3.35Å; L1034-S1036 PolarHBondContact O-N 3.42Å; L1034-R1040 PolarHBondContact O-NH2 3.18Å; L1034-F1074 HydrophobicContact CD2-CD1 3.91Å; L1034-F1074 HydrophobicContact CG-CD1 4.29Å; L1034-V1209 HydrophobicContact CD2-CG1 3.6Å; L1034-T1212 WeakPolarHBondContact CD1-OG1 3.36Å
1035S89.3Confident92.9Very high82 Ų8225 Ų2557%0.57314%0.137SC*.Hα-helixtrans-63.1-33.9178-49.60000113.9H1031H1031-S1035 PolarHBondContact O-N 3.26Å; H1031-S1035 PolarHBondContact O-OG 3.45Å
1036S87.8Confident92.9Very high24 Ų2424.1 Ų24.117%0.16813%0.133CC..  trans-123.994.3-176.7-170.80000111.6R1032 L1034 N1038 L1039R1032-S1036 WeakPolarHBondContact O-CB 3.19Å; R1032-S1036 PolarHBondContact O-N 2.94Å; L1034-S1036 VanDerWaalsContact C-N 3.35Å; L1034-S1036 PolarHBondContact O-N 3.42Å; S1036-N1038 PolarHBondContact O-N 3.22Å; S1036-L1039 VanDerWaalsContact O-CB 3.3Å; S1036-L1039 WeakPolarHBondContact O-CB 3.24Å; S1036-L1039 PolarHBondContact O-N 3.34Å
1037A86.9Confident93Very high36 Ų3624.1 Ų24.130%0.29813%0.133SC..G310 helixtrans-60.2-33179.600000113.2L1039 R1040 N1077A1037-L1039 PolarHBondContact O-N 3.27Å; A1037-R1040 WeakPolarHBondContact O-CB 3.47Å; A1037-R1040 WeakPolarHBondContact O-CG 3.42Å; A1037-R1040 PolarHBondContact O-N 3.43Å; A1037-N1077 PolarHBondContact O-ND2 3.2Å
1038N86.1Confident93.2Very high77 Ų7723.5 Ų23.541%0.41213%0.128SC..G310 helixtrans-72.7-9.2179.5-61.22.2000112.5E995 L998 S1036E995-N1038 PolarHBondContact OE1-ND2 3.28Å; L998-N1038 HydrophobicContact CD1-CB 3.8Å; S1036-N1038 PolarHBondContact O-N 3.22Å
1039L91.2Very high93.3Very high4 Ų421.1 Ų21.12%0.02112%0.116CC..G310 helixtrans-91.4-13.6175.6-166.763000113Q1001 V1002 L1005 R1032 S1036 A1037 L1043Q1001-L1039 HydrophobicContact CB-CD1 4.49Å; V1002-L1039 HydrophobicContact CG2-CD1 3.8Å; L1005-L1039 HydrophobicContact CD2-CD1 4.03Å; L1005-L1039 HydrophobicContact CD2-CD2 4.14Å; L1005-L1039 HydrophobicContact CD2-CG 3.89Å; R1032-L1039 HydrophobicContact CB-CD2 4.24Å; S1036-L1039 VanDerWaalsContact O-CB 3.3Å; S1036-L1039 WeakPolarHBondContact O-CB 3.24Å; S1036-L1039 PolarHBondContact O-N 3.34Å; A1037-L1039 PolarHBondContact O-N 3.27Å; L1039-L1043 WeakPolarHBondContact O-CB 3.3Å; L1039-L1043 PolarHBondContact O-N 2.78Å
1040R93.6Very high93.3Very high24 Ų2421.1 Ų21.19%0.09112%0.116CC..Hα-helixtrans-67.6-46.8-172.5-66176.4-171.1150.69.5114A1033 L1034 A1037 E1042 L1043 Y1044 F1074 V1209A1033-R1040 HydrophobicContact CB-CG 4.25Å; A1033-R1040 WeakPolarHBondContact O-CG 3.33Å; A1033-R1040 PolarHBondContact O-NE 3.15Å; A1033-R1040 PolarHBondContact O-NH2 3.01Å; L1034-R1040 PolarHBondContact O-NH2 3.18Å; A1037-R1040 WeakPolarHBondContact O-CB 3.47Å; A1037-R1040 WeakPolarHBondContact O-CG 3.42Å; A1037-R1040 PolarHBondContact O-N 3.43Å; R1040-E1042 VanDerWaalsContact C-N 3.3Å; R1040-E1042 PolarHBondContact O-N 3.06Å; R1040-L1043 WeakPolarHBondContact O-CB 3.5Å; R1040-L1043 PolarHBondContact O-N 2.87Å; R1040-Y1044 WeakPolarHBondContact O-CD2 3.12Å; R1040-Y1044 PolarHBondContact O-N 2.8Å; R1040-F1074 HydrophobicContact CB-CD2 4.28Å; R1040-F1074 HydrophobicContact CB-CE2 4.35Å; R1040-F1074 HydrophobicContact CG-CD2 3.82Å; R1040-F1074 HydrophobicContact CG-CE2 4.03Å; R1040-F1074 HydrophobicContact CG-CG 4.48Å; R1040-V1209 VanDerWaalsContact NH1-CG2 3.31Å
1041D94.4Very high93.4Very high12 Ų1221.2 Ų21.26%0.06412%0.117CC..Hα-helixtrans-67.3-36.2-179.4-56.3-31.2000111L991 Y1044 A1045 N1077 F1080L991-D1041 HydrophobicContact CD1-CB 3.65Å; D1041-Y1044 PolarHBondContact O-N 3.2Å; D1041-A1045 WeakPolarHBondContact O-CB 3.38Å; D1041-A1045 PolarHBondContact O-N 3.45Å; D1041-N1077 VanDerWaalsContact CG-ND2 3.31Å; D1041-N1077 PolarHBondContact OD1-N 2.88Å; D1041-N1077 PolarHBondContact OD1-ND2 3.43Å; D1041-N1077 WeakPolarHBondContact OD2-CB 3.38Å; D1041-N1077 PolarHBondContact OD2-ND2 2.88Å; D1041-F1080 HydrophobicContact CB-CB 3.93Å; D1041-F1080 HydrophobicContact CB-CD1 4Å; D1041-F1080 HydrophobicContact CB-CG 4.06Å
1042E94Very high93.5Very high1 Ų117.6 Ų17.61%0.00510%0.1CC..Hα-helixtrans-69-35.9174.7-177.668.8-153.600111.6R989 I990 L991 S994 V1002 R1040 Q1046R989-E1042 WeakPolarHBondContact CA-OE1 3.3Å; I990-E1042 PolarHBondContact N-OE1 2.95Å; I990-E1042 PolarHBondContact N-OE2 2.96Å; L991-E1042 PolarHBondContact N-OE2 3.07Å; S994-E1042 PolarHBondContact OG-OE2 3.09Å; V1002-E1042 HydrophobicContact CB-CG 4.38Å; V1002-E1042 HydrophobicContact CG1-CG 3.63Å; V1002-E1042 VanDerWaalsContact CG1-OE1 3.28Å; V1002-E1042 WeakPolarHBondContact CG1-OE1 3.29Å; V1002-E1042 HydrophobicContact CG2-CG 3.83Å; R1040-E1042 VanDerWaalsContact C-N 3.3Å; R1040-E1042 PolarHBondContact O-N 3.06Å; E1042-Q1046 WeakPolarHBondContact O-CB 3.23Å; E1042-Q1046 VanDerWaalsContact O-CG 3.24Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.16Å; E1042-Q1046 PolarHBondContact O-N 2.97Å; E1042-Q1046 PolarHBondContact OE1-NE2 2.85Å
1043L95.8Very high93.7Very high0 Ų016 Ų160%010%0.1CC..Hα-helixtrans-60.2-50169.2172.155.2000110.9L1005 I1009 I1029 A1033 L1039 R1040 A1045 Q1046 L1047 F1074L1005-L1043 HydrophobicContact CD1-CD1 4.5Å; L1005-L1043 HydrophobicContact CD2-CB 3.9Å; L1005-L1043 HydrophobicContact CD2-CD1 4.06Å; L1005-L1043 HydrophobicContact CD2-CG 4.46Å; L1005-L1043 HydrophobicContact CG-CD1 4.44Å; I1009-L1043 HydrophobicContact CD1-CD1 3.6Å; I1009-L1043 HydrophobicContact CG1-CD1 4.13Å; I1029-L1043 HydrophobicContact CG2-CD1 3.81Å; I1029-L1043 HydrophobicContact CG2-CD2 3.77Å; I1029-L1043 HydrophobicContact CG2-CG 4.48Å; A1033-L1043 HydrophobicContact CB-CD2 3.7Å; L1039-L1043 WeakPolarHBondContact O-CB 3.3Å; L1039-L1043 PolarHBondContact O-N 2.78Å; R1040-L1043 WeakPolarHBondContact O-CB 3.5Å; R1040-L1043 PolarHBondContact O-N 2.87Å; L1043-A1045 PolarHBondContact O-N 3.42Å; L1043-Q1046 PolarHBondContact O-N 3.42Å; L1043-L1047 HydrophobicContact CD1-CD1 3.79Å; L1043-L1047 HydrophobicContact CD1-CG 4.04Å; L1043-L1047 HydrophobicContact CG-CD1 4.1Å; L1043-L1047 WeakPolarHBondContact O-CG 3.24Å; L1043-L1047 PolarHBondContact O-N 3.27Å; L1043-F1074 HydrophobicContact CD2-CE2 4.18Å; L1043-F1074 HydrophobicContact CD2-CZ 3.78Å
1044Y97.6Very high93.8Very high0 Ų016 Ų160%010%0.1CC..Hα-helixtrans-63.4-41.9178.3-74.9-57.4000112.2R1040 D1041 Q1046 L1047 C1048 L1067 C1070 L1071 F1074 P1076 L1084R1040-Y1044 WeakPolarHBondContact O-CD2 3.12Å; R1040-Y1044 PolarHBondContact O-N 2.8Å; D1041-Y1044 PolarHBondContact O-N 3.2Å; Y1044-Q1046 PolarHBondContact O-N 3.42Å; Y1044-L1047 PolarHBondContact O-N 3.3Å; Y1044-C1048 WeakPolarHBondContact O-CB 3.19Å; Y1044-C1048 PolarHBondContact O-N 3.31Å; Y1044-C1048 PolarHBondContact O-SG 3.38Å; Y1044-L1067 HydrophobicContact CD1-CG 4.46Å; Y1044-C1070 HydrophobicContact CE1-CB 3.71Å; Y1044-C1070 PolarHBondContact OH-O 2.77Å; Y1044-L1071 HydrophobicContact CE1-CD2 3.7Å; Y1044-L1071 HydrophobicContact CE1-CG 3.96Å; Y1044-L1071 WeakPolarHBondContact OH-CA 3.22Å; Y1044-L1071 WeakPolarHBondContact OH-CD2 3.35Å; Y1044-L1071 PolarHBondContact OH-N 3.27Å; Y1044-F1074 AromaticContact CE2-CD2 3.89Å; Y1044-F1074 HydrophobicContact CE2-CD2 3.89Å; Y1044-F1074 AromaticContact CE2-CE2 3.72Å; Y1044-F1074 HydrophobicContact CE2-CE2 3.72Å; Y1044-F1074 AromaticContact CZ-CE2 3.69Å; Y1044-F1074 WeakPolarHBondContact OH-CD2 3.37Å; Y1044-F1074 WeakPolarHBondContact OH-CE2 3.09Å; Y1044-F1074 PolarHBondContact OH-O 2.68Å; Y1044-P1076 HydrophobicContact CD2-CB 4.02Å; Y1044-P1076 HydrophobicContact CE2-CB 4.22Å; Y1044-L1084 HydrophobicContact CD1-CD2 3.88Å; Y1044-L1084 HydrophobicContact CD2-CD2 3.96Å; Y1044-L1084 HydrophobicContact CE1-CD2 4.41Å; Y1044-L1084 HydrophobicContact CE2-CD2 4.46Å; Y1044-L1084 HydrophobicContact CG-CD2 3.66Å
1045A95.5Very high93.8Very high1 Ų119.1 Ų19.11%0.00812%0.122CC..Hα-helixtrans-62.2-40.6174.200000112.1I990 L991 D1041 L1043 C1048 K1049 F1080I990-A1045 HydrophobicContact CB-CB 4.23Å; I990-A1045 HydrophobicContact CD1-CB 4.18Å; I990-A1045 HydrophobicContact CG2-CB 4.07Å; L991-A1045 HydrophobicContact CD1-CB 4.15Å; L991-A1045 HydrophobicContact CD2-CB 4.21Å; L991-A1045 HydrophobicContact CG-CB 4.04Å; D1041-A1045 WeakPolarHBondContact O-CB 3.38Å; D1041-A1045 PolarHBondContact O-N 3.45Å; L1043-A1045 PolarHBondContact O-N 3.42Å; A1045-C1048 PolarHBondContact O-N 2.79Å; A1045-K1049 WeakPolarHBondContact O-CB 3.25Å; A1045-K1049 PolarHBondContact O-N 3.44Å; A1045-F1080 HydrophobicContact CB-CZ 4.17Å
1046Q95.6Very high94Very high0 Ų018 Ų180%011%0.11CC..Hα-helixtrans-66.3-38.6175.2-76179.915.700112.6I990 F1006 I1009 E1042 L1043 Y1044 K1049 Q1050I990-Q1046 HydrophobicContact CD1-CB 4.41Å; I990-Q1046 HydrophobicContact CD1-CG 3.68Å; I990-Q1046 HydrophobicContact CG1-CG 4.47Å; F1006-Q1046 HydrophobicContact CD2-CB 4.35Å; F1006-Q1046 HydrophobicContact CD2-CG 4.09Å; I1009-Q1046 HydrophobicContact CD1-CB 3.81Å; E1042-Q1046 WeakPolarHBondContact O-CB 3.23Å; E1042-Q1046 VanDerWaalsContact O-CG 3.24Å; E1042-Q1046 WeakPolarHBondContact O-CG 3.16Å; E1042-Q1046 PolarHBondContact O-N 2.97Å; E1042-Q1046 PolarHBondContact OE1-NE2 2.85Å; L1043-Q1046 PolarHBondContact O-N 3.42Å; Y1044-Q1046 PolarHBondContact O-N 3.42Å; Q1046-K1049 WeakPolarHBondContact O-CB 3.28Å; Q1046-K1049 PolarHBondContact O-N 3.31Å; Q1046-Q1050 WeakPolarHBondContact O-CG 3.3Å; Q1046-Q1050 PolarHBondContact O-N 3.45Å
1047L97.7Very high94.2Very high1 Ų119.6 Ų19.61%0.00512%0.118CC..Hα-helixtrans-66.1-47.1174.4-69169.1000111I1009 L1043 Y1044 K1049 Q1050 T1051 L1066 L1067I1009-L1047 HydrophobicContact CD1-CD2 4.43Å; I1009-L1047 HydrophobicContact CD1-CG 4.5Å; I1009-L1047 HydrophobicContact CG1-CD2 4.49Å; I1009-L1047 HydrophobicContact CG2-CD2 3.76Å; L1043-L1047 HydrophobicContact CD1-CD1 3.79Å; L1043-L1047 HydrophobicContact CD1-CG 4.04Å; L1043-L1047 HydrophobicContact CG-CD1 4.1Å; L1043-L1047 WeakPolarHBondContact O-CG 3.24Å; L1043-L1047 PolarHBondContact O-N 3.27Å; Y1044-L1047 PolarHBondContact O-N 3.3Å; L1047-K1049 PolarHBondContact O-N 2.95Å; L1047-Q1050 CarbonylContact O-C 3.52Å; L1047-Q1050 PolarHBondContact O-N 2.89Å; L1047-T1051 PolarHBondContact O-N 3.16Å; L1047-T1051 PolarHBondContact O-OG1 2.93Å; L1047-T1051 VanDerWaalsContact O-OG1 3.08Å; L1047-L1066 HydrophobicContact CD1-CG 4.42Å; L1047-L1066 HydrophobicContact CD2-CB 4.42Å; L1047-L1066 HydrophobicContact CD2-CD2 3.62Å; L1047-L1066 HydrophobicContact CD2-CG 3.96Å; L1047-L1067 HydrophobicContact CB-CB 4.45Å; L1047-L1067 HydrophobicContact CB-CD1 4.11Å; L1047-L1067 HydrophobicContact CB-CG 4.48Å; L1047-L1067 HydrophobicContact CD1-CB 4.2Å
1048C97.5Very high94.5Very high0 Ų023 Ų230%013%0.126CC..Hα-helixtrans-60.1-34.6175.4-62.80000112.5W964 M979 Y1044 A1045 T1051 T1052 L1084 Y1087W964-C1048 HydrophobicContact CH2-CB 4.11Å; W964-C1048 HydrophobicContact CZ2-CB 3.75Å; M979-C1048 HydrophobicContact CE-CB 4.08Å; Y1044-C1048 WeakPolarHBondContact O-CB 3.19Å; Y1044-C1048 PolarHBondContact O-N 3.31Å; Y1044-C1048 PolarHBondContact O-SG 3.38Å; A1045-C1048 PolarHBondContact O-N 2.79Å; C1048-T1051 WeakPolarHBondContact CA-OG1 3.35Å; C1048-T1051 PolarHBondContact O-OG1 3.06Å; C1048-T1052 VanDerWaalsContact O-CB 3.3Å; C1048-T1052 WeakPolarHBondContact O-CB 3.48Å; C1048-T1052 PolarHBondContact O-N 3.38Å; C1048-T1052 PolarHBondContact O-OG1 3.49Å; C1048-L1084 VanDerWaalsContact SG-CD1 3.54Å; C1048-Y1087 HydrophobicContact CB-CD1 4.22Å; C1048-Y1087 HydrophobicContact CB-CE1 3.93Å; C1048-Y1087 HydrophobicContact CB-CE2 4.3Å; C1048-Y1087 PolarHBondContact O-OH 3.32Å
1049K96.1Very high94.9Very high6 Ų619.3 Ų19.33%0.02611%0.106CC..Hα-helixtrans-64.5-42.7171175.8-179.5174.1570111.9L978 M979 S980 W981 I990 A1045 Q1046 L1047L978-K1049 VanDerWaalsContact O-CD 3.24Å; L978-K1049 WeakPolarHBondContact O-CD 3.29Å; L978-K1049 WeakPolarHBondContact O-CE 3.29Å; L978-K1049 PolarHBondContact O-NZ 2.96Å; M979-K1049 HydrophobicContact CE-CB 4.21Å; M979-K1049 WeakPolarHBondContact O-CA 3.35Å; M979-K1049 HydrophobicContact SD-CB 4.22Å; S980-K1049 CarbonylContact C-O 3.27Å; S980-K1049 VanDerWaalsContact C-O 3.29Å; S980-K1049 VanDerWaalsContact O-CG 3.22Å; S980-K1049 WeakPolarHBondContact O-CG 3.49Å; S980-K1049 PolarHBondContact O-NZ 2.83Å; W981-K1049 VanDerWaalsContact CA-O 3.25Å; W981-K1049 WeakPolarHBondContact CA-O 3.4Å; W981-K1049 PolarHBondContact N-O 3.31Å; W981-K1049 VanDerWaalsContact N-O 3.1Å; I990-K1049 HydrophobicContact CD1-CB 4.15Å; I990-K1049 HydrophobicContact CD1-CD 3.86Å; A1045-K1049 WeakPolarHBondContact O-CB 3.25Å; A1045-K1049 PolarHBondContact O-N 3.44Å; Q1046-K1049 WeakPolarHBondContact O-CB 3.28Å; Q1046-K1049 PolarHBondContact O-N 3.31Å; L1047-K1049 PolarHBondContact O-N 2.95Å
1050Q95.6Very high95.1Very high0 Ų019.1 Ų19.10%011%0.105CC..Hα-helixtrans-82.1-11.7-177.5-59.6-80.3-102.600113.4T982 F1006 I1009 M1013 Q1046 L1047 N1054T982-Q1050 VanDerWaalsContact N-NE2 3.19Å; T982-Q1050 PolarHBondContact O-NE2 3.23Å; T982-Q1050 VanDerWaalsContact O-NE2 3.11Å; T982-Q1050 PolarHBondContact O-OE1 2.92Å; F1006-Q1050 HydrophobicContact CE2-CG 3.91Å; F1006-Q1050 HydrophobicContact CZ-CG 4.42Å; I1009-Q1050 HydrophobicContact CG2-CG 4.49Å; M1013-Q1050 HydrophobicContact CE-CB 3.61Å; M1013-Q1050 HydrophobicContact SD-CB 3.66Å; M1013-Q1050 HydrophobicContact SD-CG 4.29Å; Q1046-Q1050 WeakPolarHBondContact O-CG 3.3Å; Q1046-Q1050 PolarHBondContact O-N 3.45Å; L1047-Q1050 CarbonylContact O-C 3.52Å; L1047-Q1050 PolarHBondContact O-N 2.89Å; Q1050-N1054 WeakPolarHBondContact O-CB 3.19Å; Q1050-N1054 PolarHBondContact O-ND2 2.85Å
1051T97.3Very high95.2Very high1 Ų118.3 Ų18.31%0.00610%0.103CC..Hα-helixtrans-96.1-11.6170.452.60000114.3L1047 C1048 L1060 W1064 Y1087L1047-T1051 PolarHBondContact O-N 3.16Å; L1047-T1051 PolarHBondContact O-OG1 2.93Å; L1047-T1051 VanDerWaalsContact O-OG1 3.08Å; C1048-T1051 WeakPolarHBondContact CA-OG1 3.35Å; C1048-T1051 PolarHBondContact O-OG1 3.06Å; T1051-L1060 HydrophobicContact CG2-CD1 4.31Å; T1051-L1060 VanDerWaalsContact O-CD1 3.27Å; T1051-L1060 WeakPolarHBondContact O-CD1 3.48Å; T1051-W1064 HydrophobicContact CG2-CD2 4.1Å; T1051-W1064 HydrophobicContact CG2-CG 3.89Å; T1051-Y1087 PolarHBondContact OG1-OH 3.42Å
1052T96.9Very high95.2Very high2 Ų217.9 Ų17.91%0.01210%0.101CC..SBendtrans-93.7132.8177.7-60.90000110.1G960 M979 S980 W981 C1048 N1054 Y1087 R1091G960-T1052 WeakPolarHBondContact O-CG2 3.33Å; M979-T1052 VanDerWaalsContact O-CB 3.3Å; M979-T1052 WeakPolarHBondContact O-CB 3.07Å; M979-T1052 WeakPolarHBondContact O-CG2 3.3Å; S980-T1052 CarbonylContact C-O 3.58Å; W981-T1052 WeakPolarHBondContact CA-O 3.02Å; W981-T1052 VanDerWaalsContact CB-O 3.23Å; W981-T1052 WeakPolarHBondContact CB-O 3.46Å; W981-T1052 PolarHBondContact N-O 2.92Å; C1048-T1052 VanDerWaalsContact O-CB 3.3Å; C1048-T1052 WeakPolarHBondContact O-CB 3.48Å; C1048-T1052 PolarHBondContact O-N 3.38Å; C1048-T1052 PolarHBondContact O-OG1 3.49Å; T1052-N1054 PolarHBondContact O-N 3.14Å; T1052-N1054 VanDerWaalsContact O-N 3.12Å; T1052-Y1087 WeakPolarHBondContact OG1-CE2 3.5Å; T1052-Y1087 PolarHBondContact OG1-OH 2.77Å; T1052-R1091 PolarHBondContact OG1-NH2 2.97Å
1053S95.6Very high95.4Very high39 Ų3917.9 Ų17.927%0.27310%0.101SC..SBendtrans51.229.3-176.5-51.80000114.8I959 P1055I959-S1053 WeakPolarHBondContact O-CA 3.16Å; I959-S1053 PolarHBondContact O-N 3.38Å; S1053-P1055 WeakPolarHBondContact O-CD 3.36Å
1054N95Very high95.4Very high0 Ų018 Ų180%010%0.101CC..  trans-84.8118.2178.7-172.5-18.6000110.6W981 Q1050 T1052 D1056 S1059 L1060W981-N1054 HydrophobicContact CB-CB 3.79Å; W981-N1054 VanDerWaalsContact CD1-ND2 3.29Å; W981-N1054 HydrophobicContact CD2-CB 4.48Å; W981-N1054 HydrophobicContact CG-CB 3.81Å; Q1050-N1054 WeakPolarHBondContact O-CB 3.19Å; Q1050-N1054 PolarHBondContact O-ND2 2.85Å; T1052-N1054 PolarHBondContact O-N 3.14Å; T1052-N1054 VanDerWaalsContact O-N 3.12Å; N1054-D1056 PolarHBondContact OD1-N 3.34Å; N1054-D1056 PolarHBondContact OD1-O 3.18Å; N1054-S1059 PolarHBondContact ND2-OG 3.06Å; N1054-L1060 HydrophobicContact CB-CB 4.32Å; N1054-L1060 HydrophobicContact CB-CD1 4.21Å; N1054-L1060 PolarHBondContact ND2-N 3.16Å
1055P90.2Very high95.3Very high91 Ų9118 Ų1859%0.59110%0.101SC*.  trans-82.6-18.7-178.134-35.9000113.9W981 S1053W981-P1055 HydrophobicContact CE3-CG 4.3Å; W981-P1055 HydrophobicContact CZ3-CG 4.01Å; S1053-P1055 WeakPolarHBondContact O-CD 3.36Å
1056D93.7Very high95.4Very high60 Ų6017.9 Ų17.932%0.32110%0.101SC..  trans-88.6113.8178.7174.124.6000111.1N1054 K1058 S1059 L1060N1054-D1056 PolarHBondContact OD1-N 3.34Å; N1054-D1056 PolarHBondContact OD1-O 3.18Å; D1056-K1058 PolarHBondContact O-N 3.03Å; D1056-K1058 WeakPolarHBondContact OD1-CB 3.13Å; D1056-K1058 PolarHBondContact OD1-N 3.05Å; D1056-S1059 PolarHBondContact O-N 2.84Å; D1056-S1059 WeakPolarHBondContact OD2-CB 3.48Å; D1056-S1059 PolarHBondContact OD2-N 3.05Å; D1056-L1060 WeakPolarHBondContact O-CB 3.49Å; D1056-L1060 PolarHBondContact O-N 2.96Å
1057V91.8Very high95.5Very high57 Ų5717.9 Ų17.935%0.34510%0.101SC..Hα-helixtrans-54.3-37.5176.1-168.60000112.5P950 T1061P950-V1057 HydrophobicContact CB-CG2 3.89Å; P950-V1057 HydrophobicContact CG-CB 4.11Å; P950-V1057 HydrophobicContact CG-CG1 3.57Å; P950-V1057 HydrophobicContact CG-CG2 3.39Å; V1057-T1061 VanDerWaalsContact O-CB 3.26Å; V1057-T1061 WeakPolarHBondContact O-CB 3.47Å; V1057-T1061 PolarHBondContact O-N 3.24Å; V1057-T1061 PolarHBondContact O-OG1 2.93Å
1058K92.5Very high95.3Very high106 Ų10617.9 Ų17.946%0.46110%0.1SC..Hα-helixtrans-71.8-53.5-179.4-67179.3177.3172.90110.1V921 D1056 L1060 T1061 N1062V921-K1058 HydrophobicContact CG2-CB 3.59Å; V921-K1058 HydrophobicContact CG2-CD 4.09Å; V921-K1058 HydrophobicContact CG2-CG 3.67Å; D1056-K1058 PolarHBondContact O-N 3.03Å; D1056-K1058 WeakPolarHBondContact OD1-CB 3.13Å; D1056-K1058 PolarHBondContact OD1-N 3.05Å; K1058-L1060 PolarHBondContact O-N 3.04Å; K1058-T1061 PolarHBondContact O-N 2.76Å; K1058-N1062 PolarHBondContact O-N 2.78Å; K1058-N1062 PolarHBondContact O-ND2 3.19Å
1059S95.5Very high95.2Very high0 Ų018 Ų180%010%0.102CC..Hα-helixtrans-51-55.5172.4-176.90000111.8M1013 D1015 N1054 D1056 T1061 N1062 G1063M1013-S1059 VanDerWaalsContact CE-O 3.32Å; M1013-S1059 WeakPolarHBondContact CE-O 3.31Å; M1013-S1059 WeakPolarHBondContact CE-OG 3.27Å; M1013-S1059 WeakPolarHBondContact O-CA 3.29Å; D1015-S1059 VanDerWaalsContact CG-OG 3.25Å; D1015-S1059 VanDerWaalsContact OD1-CB 3.27Å; D1015-S1059 WeakPolarHBondContact OD1-CB 3.34Å; D1015-S1059 PolarHBondContact OD1-OG 3.41Å; D1015-S1059 PolarHBondContact OD2-OG 3.03Å; N1054-S1059 PolarHBondContact ND2-OG 3.06Å; D1056-S1059 PolarHBondContact O-N 2.84Å; D1056-S1059 WeakPolarHBondContact OD2-CB 3.48Å; D1056-S1059 PolarHBondContact OD2-N 3.05Å; S1059-T1061 PolarHBondContact O-N 3.32Å; S1059-N1062 PolarHBondContact O-N 2.87Å; S1059-G1063 PolarHBondContact O-N 3.28Å
1060L96.3Very high95.2Very high0 Ų017.8 Ų17.80%010%0.1CC..Hα-helixtrans-56.1-44.7179.1178.364.7000112.7F955 F958 I959 T1051 N1054 D1056 K1058 G1063 W1064 A1190F955-L1060 HydrophobicContact CE2-CD2 4.18Å; F955-L1060 HydrophobicContact CZ-CD2 3.85Å; F958-L1060 HydrophobicContact CE1-CD2 4.38Å; I959-L1060 HydrophobicContact CG2-CD2 3.62Å; T1051-L1060 HydrophobicContact CG2-CD1 4.31Å; T1051-L1060 VanDerWaalsContact O-CD1 3.27Å; T1051-L1060 WeakPolarHBondContact O-CD1 3.48Å; N1054-L1060 HydrophobicContact CB-CB 4.32Å; N1054-L1060 HydrophobicContact CB-CD1 4.21Å; N1054-L1060 PolarHBondContact ND2-N 3.16Å; D1056-L1060 WeakPolarHBondContact O-CB 3.49Å; D1056-L1060 PolarHBondContact O-N 2.96Å; K1058-L1060 PolarHBondContact O-N 3.04Å; L1060-G1063 PolarHBondContact O-N 2.89Å; L1060-W1064 PolarHBondContact O-N 3.43Å; L1060-A1190 HydrophobicContact CD2-CB 3.94Å; L1060-A1190 HydrophobicContact CG-CB 3.69Å
1061T94.8Very high95.1Very high8 Ų817.8 Ų17.85%0.04910%0.1CC..Hα-helixtrans-67.1-41.5178.7-60.30000111.8V1057 K1058 S1059 A1065 P1188 A1190 F1193V1057-T1061 VanDerWaalsContact O-CB 3.26Å; V1057-T1061 WeakPolarHBondContact O-CB 3.47Å; V1057-T1061 PolarHBondContact O-N 3.24Å; V1057-T1061 PolarHBondContact O-OG1 2.93Å; K1058-T1061 PolarHBondContact O-N 2.76Å; S1059-T1061 PolarHBondContact O-N 3.32Å; T1061-A1065 WeakPolarHBondContact O-CB 3.29Å; T1061-A1065 PolarHBondContact O-N 3.09Å; T1061-A1065 VanDerWaalsContact O-N 3.07Å; T1061-P1188 WeakPolarHBondContact CG2-O 3.36Å; T1061-A1190 PolarHBondContact OG1-N 3.09Å; T1061-A1190 VanDerWaalsContact OG1-N 3.15Å; T1061-F1193 HydrophobicContact CG2-CD2 4.37Å; T1061-F1193 HydrophobicContact CG2-CE2 4.25Å
1062N95.1Very high94.7Very high3 Ų319.4 Ų19.42%0.01611%0.107CC..Hα-helixtrans-64.2-39.8173.9-75.1-33.8000111.8F1012 M1013 K1058 S1059 A1065 L1066 K1225F1012-N1062 HydrophobicContact CD1-CB 4.27Å; F1012-N1062 HydrophobicContact CE1-CB 4.21Å; F1012-N1062 WeakPolarHBondContact CE1-O 3.26Å; M1013-N1062 HydrophobicContact CG-CB 4.49Å; M1013-N1062 PolarHBondContact O-ND2 3.15Å; K1058-N1062 PolarHBondContact O-N 2.78Å; K1058-N1062 PolarHBondContact O-ND2 3.19Å; S1059-N1062 PolarHBondContact O-N 2.87Å; N1062-A1065 PolarHBondContact O-N 3.25Å; N1062-L1066 VanDerWaalsContact O-CB 3.3Å; N1062-L1066 WeakPolarHBondContact O-CB 3.44Å; N1062-L1066 PolarHBondContact O-N 2.79Å; N1062-K1225 PolarHBondContact OD1-NZ 3.4Å
1063G96.8Very high94.4Very high0 Ų019.3 Ų19.30%011%0.106CC..Hα-helixtrans-63.7-46.7178.100000113.2S1059 L1060 L1066 L1067S1059-G1063 PolarHBondContact O-N 3.28Å; L1060-G1063 PolarHBondContact O-N 2.89Å; G1063-L1066 PolarHBondContact O-N 3.01Å; G1063-L1067 WeakPolarHBondContact O-CB 3.47Å; G1063-L1067 PolarHBondContact O-N 3.23Å
1064W96.7Very high94.2Very high2 Ų217.5 Ų17.51%0.0089%0.093CC..Hα-helixtrans-64.2-41175.7-87.4108.9000113F958 T1051 L1060 L1067 C1068 Y1087 L1088 R1091 A1190 F1193 A1194 A1197F958-W1064 AromaticContact CZ-NE1 3.85Å; T1051-W1064 HydrophobicContact CG2-CD2 4.1Å; T1051-W1064 HydrophobicContact CG2-CG 3.89Å; L1060-W1064 PolarHBondContact O-N 3.43Å; W1064-L1067 HydrophobicContact CZ3-CD1 4.4Å; W1064-L1067 PolarHBondContact O-N 2.86Å; W1064-C1068 PolarHBondContact O-N 2.93Å; W1064-C1068 VanDerWaalsContact O-N 3.11Å; W1064-C1068 PolarHBondContact O-SG 2.87Å; W1064-Y1087 HydrophobicContact CH2-CD1 4.41Å; W1064-Y1087 AromaticContact CH2-CE1 3.75Å; W1064-Y1087 HydrophobicContact CH2-CE1 3.75Å; W1064-Y1087 HydrophobicContact CZ2-CE1 4.06Å; W1064-L1088 HydrophobicContact CH2-CD2 4.08Å; W1064-L1088 HydrophobicContact CZ3-CD2 3.69Å; W1064-R1091 HydrophobicContact CH2-CB 3.49Å; W1064-R1091 VanDerWaalsContact CH2-CB 3.49Å; W1064-R1091 HydrophobicContact CH2-CG 3.76Å; W1064-R1091 HydrophobicContact CZ2-CB 3.66Å; W1064-R1091 HydrophobicContact CZ2-CG 3.72Å; W1064-A1190 HydrophobicContact CG-CB 4.4Å; W1064-F1193 HydrophobicContact CB-CB 3.78Å; W1064-A1194 HydrophobicContact CD2-CB 3.86Å; W1064-A1194 HydrophobicContact CE3-CB 3.81Å; W1064-A1194 HydrophobicContact CH2-CB 3.94Å; W1064-A1194 HydrophobicContact CZ2-CB 3.98Å; W1064-A1194 HydrophobicContact CZ3-CB 3.84Å; W1064-A1197 HydrophobicContact CE3-CB 4.49Å; W1064-A1197 HydrophobicContact CZ3-CB 4.07Å
1065A94.9Very high94.1Very high0 Ų018.3 Ų18.30%010%0.099CC..Hα-helixtrans-65.4-43.917600000111.8W922 T1061 N1062 L1067 C1068 V1069 F1193W922-A1065 HydrophobicContact CZ2-CB 3.64Å; T1061-A1065 WeakPolarHBondContact O-CB 3.29Å; T1061-A1065 PolarHBondContact O-N 3.09Å; T1061-A1065 VanDerWaalsContact O-N 3.07Å; N1062-A1065 PolarHBondContact O-N 3.25Å; A1065-L1067 VanDerWaalsContact C-N 3.32Å; A1065-L1067 PolarHBondContact O-N 3.2Å; A1065-C1068 WeakPolarHBondContact O-CB 3.49Å; A1065-C1068 PolarHBondContact O-N 3.07Å; A1065-C1068 VanDerWaalsContact O-N 3.15Å; A1065-V1069 WeakPolarHBondContact O-CG2 3.47Å; A1065-V1069 PolarHBondContact O-N 2.99Å; A1065-F1193 HydrophobicContact CB-CD1 3.85Å; A1065-F1193 HydrophobicContact CB-CD2 3.96Å; A1065-F1193 HydrophobicContact CB-CE1 3.68Å; A1065-F1193 HydrophobicContact CB-CE2 3.8Å; A1065-F1193 HydrophobicContact CB-CG 3.99Å; A1065-F1193 HydrophobicContact CB-CZ 3.66Å
1066L96.9Very high94.3Very high0 Ų014.3 Ų14.30%07%0.073CC..Hα-helixtrans-58.9-42.1175177.858.1000112I1009 F1012 I1029 L1047 N1062 G1063 C1068 V1069 C1070I1009-L1066 HydrophobicContact CG2-CD2 4.47Å; F1012-L1066 HydrophobicContact CB-CD2 4.22Å; F1012-L1066 HydrophobicContact CD1-CB 3.98Å; F1012-L1066 HydrophobicContact CD1-CD2 3.78Å; F1012-L1066 HydrophobicContact CD1-CG 4.32Å; F1012-L1066 HydrophobicContact CD2-CD1 4.32Å; F1012-L1066 HydrophobicContact CD2-CD2 4.49Å; F1012-L1066 HydrophobicContact CE1-CB 3.67Å; F1012-L1066 HydrophobicContact CE1-CD1 4.4Å; F1012-L1066 HydrophobicContact CE1-CD2 4.29Å; F1012-L1066 HydrophobicContact CE1-CG 4.34Å; F1012-L1066 HydrophobicContact CE2-CD1 4.16Å; F1012-L1066 HydrophobicContact CG-CD2 3.92Å; F1012-L1066 HydrophobicContact CZ-CB 4.13Å; F1012-L1066 HydrophobicContact CZ-CD1 4.2Å; I1029-L1066 HydrophobicContact CD1-CD1 4.17Å; I1029-L1066 HydrophobicContact CD1-CD2 3.71Å; I1029-L1066 HydrophobicContact CG2-CD1 4.44Å; L1047-L1066 HydrophobicContact CD1-CG 4.42Å; L1047-L1066 HydrophobicContact CD2-CB 4.42Å; L1047-L1066 HydrophobicContact CD2-CD2 3.62Å; L1047-L1066 HydrophobicContact CD2-CG 3.96Å; N1062-L1066 VanDerWaalsContact O-CB 3.3Å; N1062-L1066 WeakPolarHBondContact O-CB 3.44Å; N1062-L1066 PolarHBondContact O-N 2.79Å; G1063-L1066 PolarHBondContact O-N 3.01Å; L1066-C1068 VanDerWaalsContact C-N 3.32Å; L1066-C1068 PolarHBondContact O-N 3.02Å; L1066-V1069 PolarHBondContact O-N 3.01Å; L1066-C1070 PolarHBondContact O-N 3.21Å; L1066-C1070 PolarHBondContact O-SG 3.1Å; L1066-C1070 VanDerWaalsContact O-SG 3.34Å
1067L97.7Very high94.2Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-57.7-45.9174.7-169.8158.3000111Y1044 L1047 G1063 W1064 A1065 C1070 L1071 L1088 A1197Y1044-L1067 HydrophobicContact CD1-CG 4.46Å; L1047-L1067 HydrophobicContact CB-CB 4.45Å; L1047-L1067 HydrophobicContact CB-CD1 4.11Å; L1047-L1067 HydrophobicContact CB-CG 4.48Å; L1047-L1067 HydrophobicContact CD1-CB 4.2Å; G1063-L1067 WeakPolarHBondContact O-CB 3.47Å; G1063-L1067 PolarHBondContact O-N 3.23Å; W1064-L1067 HydrophobicContact CZ3-CD1 4.4Å; W1064-L1067 PolarHBondContact O-N 2.86Å; A1065-L1067 VanDerWaalsContact C-N 3.32Å; A1065-L1067 PolarHBondContact O-N 3.2Å; L1067-C1070 WeakPolarHBondContact O-CB 3.27Å; L1067-C1070 PolarHBondContact O-N 3.09Å; L1067-L1071 HydrophobicContact CD2-CD1 3.54Å; L1067-L1071 HydrophobicContact CD2-CG 4.15Å; L1067-L1071 WeakPolarHBondContact O-CG 3.41Å; L1067-L1071 PolarHBondContact O-N 3.01Å; L1067-L1088 HydrophobicContact CD1-CD2 4.04Å; L1067-L1088 HydrophobicContact CD2-CD1 4.37Å; L1067-L1088 HydrophobicContact CD2-CD2 3.59Å; L1067-A1197 HydrophobicContact CD2-CB 4.35Å
1068C95.3Very high94Very high0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-65.1-38.2176.5-64.40000112.8W1064 A1065 L1066 L1071 Y1072 F1193 L1228W1064-C1068 PolarHBondContact O-N 2.93Å; W1064-C1068 VanDerWaalsContact O-N 3.11Å; W1064-C1068 PolarHBondContact O-SG 2.87Å; A1065-C1068 WeakPolarHBondContact O-CB 3.49Å; A1065-C1068 PolarHBondContact O-N 3.07Å; A1065-C1068 VanDerWaalsContact O-N 3.15Å; L1066-C1068 VanDerWaalsContact C-N 3.32Å; L1066-C1068 PolarHBondContact O-N 3.02Å; C1068-L1071 PolarHBondContact O-N 2.8Å; C1068-Y1072 PolarHBondContact O-N 3.32Å; C1068-F1193 PolarHBondContact SG-O 2.8Å; C1068-F1193 VanDerWaalsContact SG-O 3.35Å; C1068-L1228 HydrophobicContact CB-CD1 3.47Å; C1068-L1228 VanDerWaalsContact CB-CD1 3.47Å; C1068-L1228 HydrophobicContact CB-CD2 3.87Å; C1068-L1228 HydrophobicContact CB-CG 4.19Å
1069V94Very high93.7Very high4 Ų417.8 Ų17.82%0.0249%0.093CC..Hα-helixtrans-64.4-40.7172.9-1760000110.7I1030 A1065 L1066 L1071 Y1072 Y1073 I1221 V1224 L1228I1030-V1069 HydrophobicContact CD1-CG1 3.53Å; A1065-V1069 WeakPolarHBondContact O-CG2 3.47Å; A1065-V1069 PolarHBondContact O-N 2.99Å; L1066-V1069 PolarHBondContact O-N 3.01Å; V1069-L1071 VanDerWaalsContact C-N 3.34Å; V1069-L1071 PolarHBondContact O-N 3.09Å; V1069-Y1072 WeakPolarHBondContact O-CB 3.42Å; V1069-Y1072 PolarHBondContact O-N 3.39Å; V1069-Y1072 VanDerWaalsContact O-N 3.14Å; V1069-Y1073 HydrophobicContact CG1-CD2 4.19Å; V1069-Y1073 HydrophobicContact CG1-CE2 3.99Å; V1069-Y1073 WeakPolarHBondContact O-CD2 3.42Å; V1069-Y1073 PolarHBondContact O-N 2.82Å; V1069-I1221 HydrophobicContact CG1-CD1 4.34Å; V1069-V1224 HydrophobicContact CG1-CG1 3.98Å; V1069-V1224 HydrophobicContact CG2-CG1 4.34Å; V1069-L1228 HydrophobicContact CG2-CD1 3.66Å
1070C95.7Very high93.5Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-59.3-44.2174.6-68.10000111.9Y1044 L1066 L1067 Y1072 Y1073 F1074Y1044-C1070 HydrophobicContact CE1-CB 3.71Å; Y1044-C1070 PolarHBondContact OH-O 2.77Å; L1066-C1070 PolarHBondContact O-N 3.21Å; L1066-C1070 PolarHBondContact O-SG 3.1Å; L1066-C1070 VanDerWaalsContact O-SG 3.34Å; L1067-C1070 WeakPolarHBondContact O-CB 3.27Å; L1067-C1070 PolarHBondContact O-N 3.09Å; C1070-Y1072 VanDerWaalsContact C-N 3.27Å; C1070-Y1072 PolarHBondContact O-N 3.31Å; C1070-Y1073 PolarHBondContact O-N 3.48Å; C1070-F1074 HydrophobicContact CB-CE1 4.48Å; C1070-F1074 HydrophobicContact CB-CE2 4.06Å; C1070-F1074 HydrophobicContact CB-CZ 3.71Å; C1070-F1074 PolarHBondContact O-N 3.42Å
1071L93.8Very high93.4Very high0 Ų023.1 Ų23.10%011%0.114CC..Hα-helixtrans-64.4-27.7176.4-65.4171.5000112.9Y1044 L1067 C1068 V1069 Y1073 L1084 L1088 A1197 W1200 F1201 S1204Y1044-L1071 HydrophobicContact CE1-CD2 3.7Å; Y1044-L1071 HydrophobicContact CE1-CG 3.96Å; Y1044-L1071 WeakPolarHBondContact OH-CA 3.22Å; Y1044-L1071 WeakPolarHBondContact OH-CD2 3.35Å; Y1044-L1071 PolarHBondContact OH-N 3.27Å; L1067-L1071 HydrophobicContact CD2-CD1 3.54Å; L1067-L1071 HydrophobicContact CD2-CG 4.15Å; L1067-L1071 WeakPolarHBondContact O-CG 3.41Å; L1067-L1071 PolarHBondContact O-N 3.01Å; C1068-L1071 PolarHBondContact O-N 2.8Å; V1069-L1071 VanDerWaalsContact C-N 3.34Å; V1069-L1071 PolarHBondContact O-N 3.09Å; L1071-Y1073 VanDerWaalsContact C-N 3.27Å; L1071-Y1073 PolarHBondContact O-N 2.85Å; L1071-L1084 HydrophobicContact CD2-CD2 4.44Å; L1071-L1088 HydrophobicContact CD1-CD1 3.88Å; L1071-A1197 HydrophobicContact CD1-CB 4.46Å; L1071-W1200 HydrophobicContact CB-CB 3.91Å; L1071-W1200 HydrophobicContact CD1-CB 4.17Å; L1071-F1201 HydrophobicContact CD1-CB 4.08Å; L1071-F1201 HydrophobicContact CD2-CB 4.13Å; L1071-F1201 HydrophobicContact CD2-CD2 4.21Å; L1071-S1204 WeakPolarHBondContact O-CB 3.37Å
1072Y89.3Confident93.2Very high36 Ų3627 Ų2714%0.14113%0.134CC..Hα-helixtrans-60.7-37.1171178.5-84.4000112C1068 V1069 C1070 W1200 R1210 V1224 F1227C1068-Y1072 PolarHBondContact O-N 3.32Å; V1069-Y1072 WeakPolarHBondContact O-CB 3.42Å; V1069-Y1072 PolarHBondContact O-N 3.39Å; V1069-Y1072 VanDerWaalsContact O-N 3.14Å; C1070-Y1072 VanDerWaalsContact C-N 3.27Å; C1070-Y1072 PolarHBondContact O-N 3.31Å; Y1072-W1200 HydrophobicContact CD2-CE3 4.25Å; Y1072-W1200 AromaticContact CD2-CH2 3.7Å; Y1072-W1200 HydrophobicContact CD2-CH2 3.7Å; Y1072-W1200 AromaticContact CD2-CZ3 3.4Å; Y1072-W1200 HydrophobicContact CD2-CZ3 3.4Å; Y1072-W1200 VanDerWaalsContact CD2-CZ3 3.4Å; Y1072-W1200 HydrophobicContact CE2-CH2 4.23Å; Y1072-W1200 HydrophobicContact CE2-CZ3 4.17Å; Y1072-W1200 HydrophobicContact CG-CZ3 4.26Å; Y1072-R1210 VanDerWaalsContact CE1-CZ 3.47Å; Y1072-R1210 VanDerWaalsContact CE1-NE 3.29Å; Y1072-R1210 VanDerWaalsContact CE2-NH2 3.25Å; Y1072-R1210 VanDerWaalsContact CZ-NH2 3.28Å; Y1072-R1210 WeakPolarHBondContact O-CD 3.41Å; Y1072-R1210 PolarHBondContact O-NE 2.88Å; Y1072-R1210 PolarHBondContact OH-NH1 3.33Å; Y1072-V1224 HydrophobicContact CD1-CB 4.48Å; Y1072-V1224 HydrophobicContact CD1-CG1 3.86Å; Y1072-V1224 HydrophobicContact CD1-CG2 3.69Å; Y1072-V1224 HydrophobicContact CD2-CG1 3.75Å; Y1072-V1224 HydrophobicContact CD2-CG2 4.18Å; Y1072-V1224 HydrophobicContact CE1-CG1 4.4Å; Y1072-V1224 HydrophobicContact CE1-CG2 3.42Å; Y1072-V1224 VanDerWaalsContact CE1-CG2 3.42Å; Y1072-V1224 HydrophobicContact CE2-CG1 4.33Å; Y1072-V1224 HydrophobicContact CE2-CG2 3.97Å; Y1072-V1224 HydrophobicContact CG-CB 4.49Å; Y1072-V1224 HydrophobicContact CG-CG1 3.52Å; Y1072-V1224 HydrophobicContact CG-CG2 4.08Å; Y1072-F1227 HydrophobicContact CE2-CD1 4.19Å; Y1072-F1227 HydrophobicContact CE2-CE1 4.36Å
1073Y90.7Very high93.2Very high0 Ų028.9 Ų28.90%014%0.143CC..Hα-helixtrans-94.4-36.2-172.9-76.7-80.4000115.2I1030 V1069 C1070 L1071 R1210 P1216 E1220 I1221 V1224I1030-Y1073 HydrophobicContact CD1-CD2 3.84Å; I1030-Y1073 HydrophobicContact CD1-CE2 3.87Å; I1030-Y1073 HydrophobicContact CG1-CD2 4.2Å; I1030-Y1073 HydrophobicContact CG2-CD1 4.05Å; I1030-Y1073 HydrophobicContact CG2-CD2 3.76Å; I1030-Y1073 HydrophobicContact CG2-CE2 4.27Å; I1030-Y1073 HydrophobicContact CG2-CG 3.65Å; V1069-Y1073 HydrophobicContact CG1-CD2 4.19Å; V1069-Y1073 HydrophobicContact CG1-CE2 3.99Å; V1069-Y1073 WeakPolarHBondContact O-CD2 3.42Å; V1069-Y1073 PolarHBondContact O-N 2.82Å; C1070-Y1073 PolarHBondContact O-N 3.48Å; L1071-Y1073 VanDerWaalsContact C-N 3.27Å; L1071-Y1073 PolarHBondContact O-N 2.85Å; Y1073-R1210 HydrophobicContact CD1-CB 4.21Å; Y1073-R1210 PolarHBondContact O-N 3Å; Y1073-P1216 HydrophobicContact CE1-CB 4.04Å; Y1073-P1216 HydrophobicContact CE1-CG 4.41Å; Y1073-P1216 WeakPolarHBondContact OH-CB 3.19Å; Y1073-E1220 VanDerWaalsContact CE1-OE1 3.23Å; Y1073-E1220 WeakPolarHBondContact CE1-OE1 3.46Å; Y1073-E1220 WeakPolarHBondContact OH-CG 3.41Å; Y1073-E1220 PolarHBondContact OH-OE1 2.92Å; Y1073-I1221 HydrophobicContact CE2-CD1 3.92Å; Y1073-V1224 HydrophobicContact CE2-CG2 4.34Å
1074F92.2Very high93.2Very high0 Ų028.9 Ų28.90%014%0.143CC..  trans-154.5140.5-175.549.9-94.8000114.1I1030 A1033 L1034 R1040 L1043 Y1044 C1070 V1209I1030-F1074 HydrophobicContact CG2-CE1 4.29Å; A1033-F1074 HydrophobicContact CB-CD1 4.34Å; A1033-F1074 HydrophobicContact CB-CE1 3.55Å; A1033-F1074 HydrophobicContact CB-CE2 3.94Å; A1033-F1074 HydrophobicContact CB-CZ 3.32Å; L1034-F1074 HydrophobicContact CD2-CD1 3.91Å; L1034-F1074 HydrophobicContact CG-CD1 4.29Å; R1040-F1074 HydrophobicContact CB-CD2 4.28Å; R1040-F1074 HydrophobicContact CB-CE2 4.35Å; R1040-F1074 HydrophobicContact CG-CD2 3.82Å; R1040-F1074 HydrophobicContact CG-CE2 4.03Å; R1040-F1074 HydrophobicContact CG-CG 4.48Å; L1043-F1074 HydrophobicContact CD2-CE2 4.18Å; L1043-F1074 HydrophobicContact CD2-CZ 3.78Å; Y1044-F1074 AromaticContact CE2-CD2 3.89Å; Y1044-F1074 HydrophobicContact CE2-CD2 3.89Å; Y1044-F1074 AromaticContact CE2-CE2 3.72Å; Y1044-F1074 HydrophobicContact CE2-CE2 3.72Å; Y1044-F1074 AromaticContact CZ-CE2 3.69Å; Y1044-F1074 WeakPolarHBondContact OH-CD2 3.37Å; Y1044-F1074 WeakPolarHBondContact OH-CE2 3.09Å; Y1044-F1074 PolarHBondContact OH-O 2.68Å; C1070-F1074 HydrophobicContact CB-CE1 4.48Å; C1070-F1074 HydrophobicContact CB-CE2 4.06Å; C1070-F1074 HydrophobicContact CB-CZ 3.71Å; C1070-F1074 PolarHBondContact O-N 3.42Å; F1074-V1209 HydrophobicContact CB-CG1 4.37Å; F1074-V1209 HydrophobicContact CB-CG2 4.27Å
1075P92.1Very high93.2Very high18 Ų1833.1 Ų33.112%0.11716%0.159CC..PPolyproline II helixtrans-72.7161.1169.630.3-34.4000112.4S1204 L1205P1075-S1204 WeakPolarHBondContact CA-OG 3.29Å; P1075-S1204 WeakPolarHBondContact CB-OG 3.48Å; P1075-S1204 WeakPolarHBondContact CD-O 3.49Å; P1075-S1204 WeakPolarHBondContact CG-O 3.2Å; P1075-L1205 HydrophobicContact CB-CD2 3.77Å; P1075-L1205 HydrophobicContact CB-CG 4.32Å
1076P94.1Very high93.2Very high7 Ų735.3 Ų35.35%0.04518%0.177CC..PPolyproline II helixtrans-68.1165.8161.634.4-39.3000111.3Y1044 F1080 R1081 L1084 F1201Y1044-P1076 HydrophobicContact CD2-CB 4.02Å; Y1044-P1076 HydrophobicContact CE2-CB 4.22Å; P1076-F1080 HydrophobicContact CB-CD1 4.39Å; P1076-R1081 HydrophobicContact CG-CB 4.29Å; P1076-L1084 HydrophobicContact CB-CD2 4.09Å; P1076-L1084 HydrophobicContact CG-CD2 3.96Å; P1076-F1201 HydrophobicContact CG-CD2 4.38Å; P1076-F1201 HydrophobicContact CG-CE2 3.77Å
1077N91.2Very high93.3Very high51 Ų5135.3 Ų35.327%0.27318%0.177SC..PPolyproline II helixtrans-76.4159.8174.6-55.4-56.4000111.5A1037 D1041 K1079 F1080 R1081A1037-N1077 PolarHBondContact O-ND2 3.2Å; D1041-N1077 VanDerWaalsContact CG-ND2 3.31Å; D1041-N1077 PolarHBondContact OD1-N 2.88Å; D1041-N1077 PolarHBondContact OD1-ND2 3.43Å; D1041-N1077 WeakPolarHBondContact OD2-CB 3.38Å; D1041-N1077 PolarHBondContact OD2-ND2 2.88Å; N1077-K1079 PolarHBondContact O-N 3.41Å; N1077-F1080 PolarHBondContact O-N 3.05Å; N1077-R1081 PolarHBondContact O-N 3.03Å
1078S87.5Confident93.2Very high86 Ų8635.3 Ų35.360%0.60118%0.177SC*.THydrogen-bonded Turntrans-60.8-12.1-172.856.60000116.4
1079K86.9Confident93.2Very high158 Ų15836.7 Ų36.769%0.68718%0.184SC*.THydrogen-bonded Turntrans-87.8-30.7174.1-62.9-176.3179.3-177.60113.2N1077 H1083N1077-K1079 PolarHBondContact O-N 3.41Å; K1079-H1083 PolarHBondContact O-ND1 3.05Å; K1079-H1083 VanDerWaalsContact O-ND1 3.15Å
1080F92.4Very high93.2Very high4 Ų439 Ų392%0.01820%0.2CC..THydrogen-bonded Turntrans-102.5-18.7-178.2-166.8-116.3000112.9W964 L968 L991 D1041 A1045 P1076 N1077 D1082 H1083 L1084W964-F1080 HydrophobicContact CE3-CE2 4.46Å; W964-F1080 HydrophobicContact CH2-CE2 4.5Å; W964-F1080 HydrophobicContact CH2-CZ 4.03Å; W964-F1080 AromaticContact CZ3-CE2 3.78Å; W964-F1080 HydrophobicContact CZ3-CE2 3.78Å; W964-F1080 AromaticContact CZ3-CZ 3.75Å; W964-F1080 HydrophobicContact CZ3-CZ 3.75Å; L968-F1080 HydrophobicContact CD1-CE2 4.37Å; L991-F1080 HydrophobicContact CD1-CD2 4.05Å; L991-F1080 HydrophobicContact CD1-CE2 4.24Å; L991-F1080 HydrophobicContact CD1-CG 4.34Å; L991-F1080 HydrophobicContact CD2-CD2 4.27Å; L991-F1080 HydrophobicContact CD2-CE2 3.97Å; D1041-F1080 HydrophobicContact CB-CB 3.93Å; D1041-F1080 HydrophobicContact CB-CD1 4Å; D1041-F1080 HydrophobicContact CB-CG 4.06Å; A1045-F1080 HydrophobicContact CB-CZ 4.17Å; P1076-F1080 HydrophobicContact CB-CD1 4.39Å; N1077-F1080 PolarHBondContact O-N 3.05Å; F1080-D1082 PolarHBondContact O-N 2.64Å; F1080-H1083 HydrophobicContact CD2-CB 4.24Å; F1080-H1083 HydrophobicContact CE2-CB 4.34Å; F1080-H1083 PolarHBondContact O-N 3.43Å; F1080-L1084 HydrophobicContact CD1-CB 4.06Å; F1080-L1084 HydrophobicContact CE1-CB 3.89Å; F1080-L1084 HydrophobicContact CE1-CD1 4.22Å; F1080-L1084 HydrophobicContact CE1-CD2 4.41Å; F1080-L1084 HydrophobicContact CE1-CG 4.39Å; F1080-L1084 PolarHBondContact O-N 3.27Å
1081R92.5Very high93.2Very high108 Ų10839.1 Ų39.141%0.40820%0.201SC..Hα-helixtrans-37.4-64.8176.3178.4-174.3158.5146.20.1113.4P1076 N1077 H1083 L1084 Y1085 F1201 L1205P1076-R1081 HydrophobicContact CG-CB 4.29Å; N1077-R1081 PolarHBondContact O-N 3.03Å; R1081-H1083 VanDerWaalsContact C-N 3.33Å; R1081-H1083 PolarHBondContact O-N 2.9Å; R1081-L1084 PolarHBondContact O-N 3.21Å; R1081-Y1085 PolarHBondContact O-N 2.76Å; R1081-F1201 HydrophobicContact CG-CE1 4.47Å; R1081-F1201 HydrophobicContact CG-CE2 4.39Å; R1081-F1201 HydrophobicContact CG-CZ 3.63Å; R1081-F1201 VanDerWaalsContact O-CE2 3.3Å; R1081-F1201 WeakPolarHBondContact O-CE2 3.16Å; R1081-F1201 WeakPolarHBondContact O-CZ 3.33Å; R1081-L1205 HydrophobicContact CG-CD1 4.26Å; R1081-L1205 HydrophobicContact CG-CD2 4.2Å
1082D92.3Very high93.1Very high91 Ų9139.1 Ų39.149%0.48720%0.201SC..Hα-helixtrans-73.1-31.3-167.2-49.5-38.9000111.5F1080 Y1085 A1086F1080-D1082 PolarHBondContact O-N 2.64Å; D1082-Y1085 PolarHBondContact O-N 2.97Å; D1082-A1086 PolarHBondContact O-N 2.8Å
1083H95Very high93.1Very high41 Ų4139.7 Ų39.719%0.1921%0.206CC..Hα-helixtrans-65-44.4171.7-59.8114000112.7W964 H967 L968 K1079 F1080 R1081 A1086 Y1087W964-H1083 HydrophobicContact CZ3-CB 4.34Å; H967-H1083 AromaticContact CE1-CE1 3.66Å; H967-H1083 AromaticContact CE1-NE2 3.41Å; H967-H1083 PolarHBondContact CE1-NE2 3.45Å; H967-H1083 AromaticContact NE2-CE1 3.49Å; H967-H1083 PolarHBondContact NE2-CE1 2.64Å; H967-H1083 AromaticContact NE2-NE2 3.74Å; L968-H1083 HydrophobicContact CD1-CB 4.09Å; K1079-H1083 PolarHBondContact O-ND1 3.05Å; K1079-H1083 VanDerWaalsContact O-ND1 3.15Å; F1080-H1083 HydrophobicContact CD2-CB 4.24Å; F1080-H1083 HydrophobicContact CE2-CB 4.34Å; F1080-H1083 PolarHBondContact O-N 3.43Å; R1081-H1083 VanDerWaalsContact C-N 3.33Å; R1081-H1083 PolarHBondContact O-N 2.9Å; H1083-A1086 PolarHBondContact O-N 3.17Å; H1083-Y1087 PolarHBondContact O-N 2.99Å
1084L97Very high93.1Very high0 Ų041 Ų410%022%0.217CC..Hα-helixtrans-65.1-40.6174.4-178.260.7000110.9Y1044 C1048 L1071 P1076 F1080 R1081 A1086 Y1087 L1088 F1201Y1044-L1084 HydrophobicContact CD1-CD2 3.88Å; Y1044-L1084 HydrophobicContact CD2-CD2 3.96Å; Y1044-L1084 HydrophobicContact CE1-CD2 4.41Å; Y1044-L1084 HydrophobicContact CE2-CD2 4.46Å; Y1044-L1084 HydrophobicContact CG-CD2 3.66Å; C1048-L1084 VanDerWaalsContact SG-CD1 3.54Å; L1071-L1084 HydrophobicContact CD2-CD2 4.44Å; P1076-L1084 HydrophobicContact CB-CD2 4.09Å; P1076-L1084 HydrophobicContact CG-CD2 3.96Å; F1080-L1084 HydrophobicContact CD1-CB 4.06Å; F1080-L1084 HydrophobicContact CE1-CB 3.89Å; F1080-L1084 HydrophobicContact CE1-CD1 4.22Å; F1080-L1084 HydrophobicContact CE1-CD2 4.41Å; F1080-L1084 HydrophobicContact CE1-CG 4.39Å; F1080-L1084 PolarHBondContact O-N 3.27Å; R1081-L1084 PolarHBondContact O-N 3.21Å; L1084-A1086 PolarHBondContact O-N 3.24Å; L1084-Y1087 PolarHBondContact O-N 3.27Å; L1084-L1088 HydrophobicContact CD1-CD1 4.18Å; L1084-L1088 HydrophobicContact CD1-CD2 4.35Å; L1084-L1088 HydrophobicContact CD1-CG 4.07Å; L1084-L1088 HydrophobicContact CG-CD1 3.93Å; L1084-L1088 HydrophobicContact CG-CG 4.23Å; L1084-L1088 VanDerWaalsContact O-CG 3.27Å; L1084-L1088 WeakPolarHBondContact O-CG 3.42Å; L1084-L1088 PolarHBondContact O-N 3.07Å; L1084-F1201 HydrophobicContact CB-CE2 4.15Å; L1084-F1201 HydrophobicContact CD2-CD2 4.11Å; L1084-F1201 HydrophobicContact CD2-CE2 4.19Å; L1084-F1201 HydrophobicContact CG-CD2 4.22Å; L1084-F1201 HydrophobicContact CG-CE2 4.2Å
1085Y95.7Very high92.9Very high91 Ų9141 Ų4136%0.35722%0.217SC..Hα-helixtrans-59-46.8176.7-171.2-116.7000112.3R1081 D1082 Y1087 L1088 Q1089 P1198 F1201 V1202R1081-Y1085 PolarHBondContact O-N 2.76Å; D1082-Y1085 PolarHBondContact O-N 2.97Å; Y1085-Y1087 VanDerWaalsContact C-N 3.33Å; Y1085-Y1087 PolarHBondContact O-N 3.24Å; Y1085-L1088 PolarHBondContact O-N 3.33Å; Y1085-Q1089 WeakPolarHBondContact O-CB 3.44Å; Y1085-Q1089 PolarHBondContact O-N 2.92Å; Y1085-P1198 HydrophobicContact CE2-CB 4.03Å; Y1085-F1201 AromaticContact CD2-CD1 3.41Å; Y1085-F1201 HydrophobicContact CD2-CD1 3.41Å; Y1085-F1201 VanDerWaalsContact CD2-CD1 3.41Å; Y1085-F1201 AromaticContact CD2-CE1 3.45Å; Y1085-F1201 HydrophobicContact CD2-CE1 3.45Å; Y1085-F1201 VanDerWaalsContact CD2-CE1 3.45Å; Y1085-F1201 HydrophobicContact CD2-CG 4.17Å; Y1085-F1201 HydrophobicContact CD2-CZ 4.21Å; Y1085-F1201 HydrophobicContact CE2-CD1 4.12Å; Y1085-F1201 HydrophobicContact CE2-CE1 4.37Å; Y1085-F1201 HydrophobicContact CG-CD1 4.22Å; Y1085-F1201 AromaticContact CG-CE1 3.8Å; Y1085-F1201 HydrophobicContact CG-CE1 3.8Å; Y1085-F1201 HydrophobicContact CG-CZ 4.25Å; Y1085-V1202 HydrophobicContact CE2-CG2 4.32Å
1086A95.8Very high92.4Very high46 Ų4641.2 Ų41.238%0.3822%0.218SC..Hα-helixtrans-59.3-42.3178.100000112.3F962 D1082 H1083 L1084 S1090F962-A1086 HydrophobicContact CZ-CB 3.98Å; D1082-A1086 PolarHBondContact O-N 2.8Å; H1083-A1086 PolarHBondContact O-N 3.17Å; L1084-A1086 PolarHBondContact O-N 3.24Å; A1086-S1090 VanDerWaalsContact O-CB 3.26Å; A1086-S1090 WeakPolarHBondContact O-CB 3.23Å; A1086-S1090 PolarHBondContact O-N 3.1Å
1087Y97.7Very high91.3Very high0 Ų042.8 Ų42.80%023%0.226CC..Hα-helixtrans-61.5-50.6173.5179.7-90.9000111.7F962 W964 C1048 T1051 T1052 W1064 H1083 L1084 Y1085 Q1089 S1090 R1091F962-Y1087 HydrophobicContact CB-CD2 3.93Å; F962-Y1087 HydrophobicContact CB-CE2 4.14Å; F962-Y1087 AromaticContact CD1-CD2 3.93Å; F962-Y1087 HydrophobicContact CD1-CD2 3.93Å; F962-Y1087 HydrophobicContact CD2-CD2 4.05Å; F962-Y1087 HydrophobicContact CE1-CD2 4.47Å; F962-Y1087 AromaticContact CG-CD2 3.69Å; F962-Y1087 HydrophobicContact CG-CD2 3.69Å; F962-Y1087 HydrophobicContact CG-CE2 4.39Å; W964-Y1087 AromaticContact CE2-CD2 3.97Å; W964-Y1087 AromaticContact CH2-CD2 3.98Å; W964-Y1087 HydrophobicContact CH2-CD2 3.98Å; W964-Y1087 AromaticContact CH2-CG 3.88Å; W964-Y1087 HydrophobicContact CH2-CG 3.88Å; W964-Y1087 AromaticContact CZ2-CD2 3.3Å; W964-Y1087 HydrophobicContact CZ2-CD2 3.3Å; W964-Y1087 AromaticContact CZ2-CE2 3.9Å; W964-Y1087 HydrophobicContact CZ2-CE2 3.9Å; W964-Y1087 AromaticContact CZ2-CG 3.68Å; W964-Y1087 HydrophobicContact CZ2-CG 3.68Å; C1048-Y1087 HydrophobicContact CB-CD1 4.22Å; C1048-Y1087 HydrophobicContact CB-CE1 3.93Å; C1048-Y1087 HydrophobicContact CB-CE2 4.3Å; C1048-Y1087 PolarHBondContact O-OH 3.32Å; T1051-Y1087 PolarHBondContact OG1-OH 3.42Å; T1052-Y1087 WeakPolarHBondContact OG1-CE2 3.5Å; T1052-Y1087 PolarHBondContact OG1-OH 2.77Å; W1064-Y1087 HydrophobicContact CH2-CD1 4.41Å; W1064-Y1087 AromaticContact CH2-CE1 3.75Å; W1064-Y1087 HydrophobicContact CH2-CE1 3.75Å; W1064-Y1087 HydrophobicContact CZ2-CE1 4.06Å; H1083-Y1087 PolarHBondContact O-N 2.99Å; L1084-Y1087 PolarHBondContact O-N 3.27Å; Y1085-Y1087 VanDerWaalsContact C-N 3.33Å; Y1085-Y1087 PolarHBondContact O-N 3.24Å; Y1087-Q1089 PolarHBondContact O-N 3.09Å; Y1087-S1090 PolarHBondContact O-N 2.75Å; Y1087-R1091 HydrophobicContact CD1-CG 4.28Å; Y1087-R1091 HydrophobicContact CE1-CG 3.94Å; Y1087-R1091 HydrophobicContact CE2-CG 4.32Å; Y1087-R1091 WeakPolarHBondContact O-CG 3.38Å; Y1087-R1091 PolarHBondContact O-N 2.68Å; Y1087-R1091 PolarHBondContact OH-NE 2.95Å
1088L97.3Very high89.8Confident0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-64.1-40-177.6-62.9176.8000112W1064 L1067 L1071 L1084 Y1085 R1091 A1092 A1197 P1198 F1201W1064-L1088 HydrophobicContact CH2-CD2 4.08Å; W1064-L1088 HydrophobicContact CZ3-CD2 3.69Å; L1067-L1088 HydrophobicContact CD1-CD2 4.04Å; L1067-L1088 HydrophobicContact CD2-CD1 4.37Å; L1067-L1088 HydrophobicContact CD2-CD2 3.59Å; L1071-L1088 HydrophobicContact CD1-CD1 3.88Å; L1084-L1088 HydrophobicContact CD1-CD1 4.18Å; L1084-L1088 HydrophobicContact CD1-CD2 4.35Å; L1084-L1088 HydrophobicContact CD1-CG 4.07Å; L1084-L1088 HydrophobicContact CG-CD1 3.93Å; L1084-L1088 HydrophobicContact CG-CG 4.23Å; L1084-L1088 VanDerWaalsContact O-CG 3.27Å; L1084-L1088 WeakPolarHBondContact O-CG 3.42Å; L1084-L1088 PolarHBondContact O-N 3.07Å; Y1085-L1088 PolarHBondContact O-N 3.33Å; L1088-R1091 PolarHBondContact O-N 3.1Å; L1088-A1092 VanDerWaalsContact O-CB 3.25Å; L1088-A1092 WeakPolarHBondContact O-CB 3.33Å; L1088-A1092 PolarHBondContact O-N 3.44Å; L1088-A1197 HydrophobicContact CB-CB 4.48Å; L1088-A1197 HydrophobicContact CD1-CB 4.4Å; L1088-A1197 HydrophobicContact CD2-CB 3.92Å; L1088-A1197 HydrophobicContact CG-CB 4.48Å; L1088-P1198 HydrophobicContact CB-CG 4.17Å; L1088-F1201 HydrophobicContact CD1-CB 3.87Å; L1088-F1201 HydrophobicContact CD1-CD2 3.99Å; L1088-F1201 HydrophobicContact CD1-CG 4.22Å
1089Q93.7Very high87.8Confident29 Ų2946.3 Ų46.314%0.13624%0.237CC..Hα-helixtrans-67.6-47.8178.4-171.560.541.800111.4Y1085 Y1087 R1091 A1092 D1093Y1085-Q1089 WeakPolarHBondContact O-CB 3.44Å; Y1085-Q1089 PolarHBondContact O-N 2.92Å; Y1087-Q1089 PolarHBondContact O-N 3.09Å; Q1089-R1091 VanDerWaalsContact C-N 3.26Å; Q1089-R1091 PolarHBondContact O-N 2.93Å; Q1089-A1092 PolarHBondContact O-N 2.97Å; Q1089-D1093 VanDerWaalsContact NE2-CG 3.25Å; Q1089-D1093 PolarHBondContact NE2-OD1 3.33Å; Q1089-D1093 VanDerWaalsContact NE2-OD1 3.09Å; Q1089-D1093 PolarHBondContact NE2-OD2 3.39Å; Q1089-D1093 PolarHBondContact O-N 2.84Å
1090S95Very high85.1Confident52 Ų5243.4 Ų43.436%0.36424%0.237SC..Hα-helixtrans-54.1-42.9175.5173.20000112A1086 Y1087 A1094A1086-S1090 VanDerWaalsContact O-CB 3.26Å; A1086-S1090 WeakPolarHBondContact O-CB 3.23Å; A1086-S1090 PolarHBondContact O-N 3.1Å; Y1087-S1090 PolarHBondContact O-N 2.75Å; S1090-A1094 VanDerWaalsContact O-CB 3.26Å; S1090-A1094 WeakPolarHBondContact O-CB 3.31Å; S1090-A1094 PolarHBondContact O-N 3.23Å
1091R95.3Very high82.1Confident4 Ų447.2 Ų47.22%0.01528%0.277CS..Hα-helixtrans-73.2-34.5176.9-62.3-67.6-172.3-134.6-3.3113.1S957 F958 G960 P961 T1052 W1064 Y1087 L1088 Q1089 S1095 A1194S957-R1091 PolarHBondContact O-NH1 3.46Å; F958-R1091 HydrophobicContact CE2-CB 4.47Å; F958-R1091 WeakPolarHBondContact CE2-O 3.28Å; F958-R1091 WeakPolarHBondContact O-CD 3.47Å; F958-R1091 PolarHBondContact O-NE 3.49Å; F958-R1091 PolarHBondContact O-NH1 3.43Å; G960-R1091 PolarHBondContact O-NH1 2.92Å; G960-R1091 PolarHBondContact O-NH2 2.92Å; P961-R1091 PolarHBondContact O-NH1 3.08Å; P961-R1091 VanDerWaalsContact O-NH1 3.1Å; P961-R1091 PolarHBondContact O-NH2 2.89Å; P961-R1091 VanDerWaalsContact O-NH2 3.16Å; T1052-R1091 PolarHBondContact OG1-NH2 2.97Å; W1064-R1091 HydrophobicContact CH2-CB 3.49Å; W1064-R1091 VanDerWaalsContact CH2-CB 3.49Å; W1064-R1091 HydrophobicContact CH2-CG 3.76Å; W1064-R1091 HydrophobicContact CZ2-CB 3.66Å; W1064-R1091 HydrophobicContact CZ2-CG 3.72Å; Y1087-R1091 HydrophobicContact CD1-CG 4.28Å; Y1087-R1091 HydrophobicContact CE1-CG 3.94Å; Y1087-R1091 HydrophobicContact CE2-CG 4.32Å; Y1087-R1091 WeakPolarHBondContact O-CG 3.38Å; Y1087-R1091 PolarHBondContact O-N 2.68Å; Y1087-R1091 PolarHBondContact OH-NE 2.95Å; L1088-R1091 PolarHBondContact O-N 3.1Å; Q1089-R1091 VanDerWaalsContact C-N 3.26Å; Q1089-R1091 PolarHBondContact O-N 2.93Å; R1091-S1095 VanDerWaalsContact O-CB 3.29Å; R1091-S1095 WeakPolarHBondContact O-CB 3.29Å; R1091-S1095 PolarHBondContact O-N 3.17Å; R1091-S1095 VanDerWaalsContact O-N 3.08Å; R1091-A1194 HydrophobicContact CB-CB 4.49Å
1092A91.5Very high79Confident0 Ų047.4 Ų47.40%029%0.291CS..Hα-helixtrans-67.7-34.7175.700000112.5L1088 Q1089 S1095 A1194 R1195 P1198L1088-A1092 VanDerWaalsContact O-CB 3.25Å; L1088-A1092 WeakPolarHBondContact O-CB 3.33Å; L1088-A1092 PolarHBondContact O-N 3.44Å; Q1089-A1092 PolarHBondContact O-N 2.97Å; A1092-S1095 PolarHBondContact O-OG 2.58Å; A1092-A1194 WeakPolarHBondContact CB-O 3.17Å; A1092-R1195 WeakPolarHBondContact O-CD 3.48Å; A1092-R1195 PolarHBondContact O-NH1 2.93Å; A1092-P1198 HydrophobicContact CB-CG 3.57Å
1093D89.2Confident75.8Confident47 Ų4750.6 Ų50.625%0.25131%0.306SS..Hα-helixtrans-80.3-40177.1-64.3-29.4000111Q1089 S1095 V1096 R1195Q1089-D1093 VanDerWaalsContact NE2-CG 3.25Å; Q1089-D1093 PolarHBondContact NE2-OD1 3.33Å; Q1089-D1093 VanDerWaalsContact NE2-OD1 3.09Å; Q1089-D1093 PolarHBondContact NE2-OD2 3.39Å; Q1089-D1093 PolarHBondContact O-N 2.84Å; D1093-S1095 PolarHBondContact O-N 3.48Å; D1093-S1095 VanDerWaalsContact O-N 3.12Å; D1093-V1096 PolarHBondContact O-N 2.85Å; D1093-R1195 IonicContact OD1-NH1 2.67Å; D1093-R1195 PolarHBondContact OD1-NH1 2.9Å
1094A91.1Very high72.8Confident29 Ų2954.5 Ų54.524%0.2433%0.333CS..THydrogen-bonded Turntrans-68.6-2.7170.400000114.5V948 S1090V948-A1094 WeakPolarHBondContact CG2-O 3.36Å; S1090-A1094 VanDerWaalsContact O-CB 3.26Å; S1090-A1094 WeakPolarHBondContact O-CB 3.31Å; S1090-A1094 PolarHBondContact O-N 3.23Å
1095S88.2Confident69.4Low0 Ų059.7 Ų59.70%037%0.365CS..THydrogen-bonded Turntrans-87.8-8.4179.374.70000114.6Y947 V948 R1091 A1092 D1093 R1195Y947-S1095 WeakPolarHBondContact CA-O 3.32Å; V948-S1095 PolarHBondContact N-O 3.1Å; R1091-S1095 VanDerWaalsContact O-CB 3.29Å; R1091-S1095 WeakPolarHBondContact O-CB 3.29Å; R1091-S1095 PolarHBondContact O-N 3.17Å; R1091-S1095 VanDerWaalsContact O-N 3.08Å; A1092-S1095 PolarHBondContact O-OG 2.58Å; D1093-S1095 PolarHBondContact O-N 3.48Å; D1093-S1095 VanDerWaalsContact O-N 3.12Å; S1095-R1195 WeakPolarHBondContact OG-CD 3.48Å
1096V81.3Confident66Low21 Ų2161.8 Ų61.813%0.12739%0.387CS..EExtended strand (participates in β ladder)trans-134.3138.2-174165.70000110.6Q945 I946 Y947 D1093Q945-V1096 HydrophobicContact CB-CG1 3.65Å; Q945-V1096 HydrophobicContact CB-CG2 4.45Å; Q945-V1096 HydrophobicContact CG-CG1 3.66Å; I946-V1096 CarbonylContact O-C 3.5Å; I946-V1096 WeakPolarHBondContact O-CA 3.01Å; Y947-V1096 HydrophobicContact CD1-CG2 4.04Å; Y947-V1096 HydrophobicContact CE1-CG2 3.93Å; Y947-V1096 HydrophobicContact CG-CG2 4.46Å; D1093-V1096 PolarHBondContact O-N 2.85Å
1097I71.3Confident62.7Low41 Ų4164.7 Ų64.721%0.2141%0.405CS..EExtended strand (participates in β ladder)trans-100.3127.6162.9-53.197.1000109.1I946 V948 H952 A954I946-I1097 HydrophobicContact CB-CB 4.5Å; I946-I1097 HydrophobicContact CB-CD1 4.38Å; I946-I1097 HydrophobicContact CG2-CD1 4.19Å; I946-I1097 PolarHBondContact N-O 3.26Å; I946-I1097 WeakPolarHBondContact O-CD1 3.2Å; I946-I1097 PolarHBondContact O-N 3.44Å; V948-I1097 HydrophobicContact CG2-CD1 3.58Å; V948-I1097 HydrophobicContact CG2-CG1 4.4Å; H952-I1097 WeakPolarHBondContact CE1-CD1 3.45Å; A954-I1097 HydrophobicContact CB-CD1 4.44Å; A954-I1097 HydrophobicContact CB-CG1 4.39Å
1098L58.5Low59.2Low104 Ų10470.8 Ų70.855%0.54544%0.442SS..  trans-86123.8163-65.3173.4000108.5T943 Q945 S1100T943-L1098 HydrophobicContact CG2-CD2 4.37Å; Q945-L1098 HydrophobicContact CG-CD2 4.14Å; L1098-S1100 PolarHBondContact O-N 3.24Å
1099N45.4Very low55.8Low106 Ų10677 Ų7757%0.56748%0.475SS*.  trans-74.763.1174.4-86.4-10.7000111.8
1100S31.7Very low52.6Low98 Ų9883.7 Ų83.769%0.68550%0.504SS*.  trans-72.7121.1159.9-63.40000108.1L1098 T1102L1098-S1100 PolarHBondContact O-N 3.24Å; S1100-T1102 PolarHBondContact O-N 3.38Å
1101G27.9Very low49.4Very low84 Ų8489.2 Ų89.287%0.86653%0.53SS*.  trans-73.2107.9-170.700000113.3
1102T29.2Very low46.2Very low112 Ų11297.2 Ų97.269%0.68757%0.567SS**  trans-116103.6166.6-54.90000110S1100 T1104S1100-T1102 PolarHBondContact O-N 3.38Å; T1102-T1104 HydrophobicContact CG2-CG2 4.07Å; T1102-T1104 PolarHBondContact O-N 2.85Å
1103I24.9Very low43.2Very low158 Ų158103.4 Ų103.481%0.8160%0.601SS**  trans-79.2107.8160.6-62.2169.2000106.8T1105I1103-T1105 HydrophobicContact CG2-CG2 4.41Å
1104T31Very low40.3Very low123 Ų123107.9 Ų107.976%0.75562%0.624SS**  trans-123.890.9159.433.50000109T1102T1102-T1104 HydrophobicContact CG2-CG2 4.07Å; T1102-T1104 PolarHBondContact O-N 2.85Å
1105T25.7Very low37Very low108 Ų108114 Ų11466%0.66365%0.65SS**  trans-54142.5162.242.70000110.2I1103 S1107I1103-T1105 HydrophobicContact CG2-CG2 4.41Å; T1105-S1107 PolarHBondContact O-N 3.47Å
1106T24.1Very low34.2Very low135 Ų135120.1 Ų120.183%0.82869%0.687SS**  trans-58.2132.1166.835.20000110.5
1107S26.3Very low31.6Very low108 Ų108126.3 Ų126.376%0.75571%0.714SS**  trans-135.277.6172.9-69.70000109.4T1105 N1109T1105-S1107 PolarHBondContact O-N 3.47Å; S1107-N1109 PolarHBondContact O-N 2.86Å
1108T24.9Very low29.4Very low127 Ų127132 Ų13278%0.77974%0.738SS**  trans-76.5113.3171.146.80000110.2
1109N26Very low28Very low130 Ų130133 Ų13370%0.69574%0.744SS**  trans-174.6140.2168.8-97.6-19.1000108.1S1107S1107-N1109 PolarHBondContact O-N 2.86Å
1110F25.8Very low27.1Very low171 Ų171134.1 Ų134.175%0.7575%0.75SS**  cis-136160.7-3.3-85.9-80.6000109.7
1111N27.6Very low26.9Very low167 Ų167138 Ų13889%0.89376%0.757SS**  trans-114.5134.1158.4-100.71.5000109.6
1112Q29.2Very low26.9Very low172 Ų172138.6 Ų138.680%0.80474%0.744SS**  trans-151.7134.9167.4-95177.3-23.600105.1
1113N28.2Very low26.8Very low131 Ų131139.7 Ų139.770%0.70175%0.75SS**  cis-115.2174.610.4-49.6-59.4000109.7
1114D27.7Very low26.8Very low140 Ų140136 Ų13675%0.74974%0.738SS**  cis-134.7158.125.1-77.4-57.2000114.7
1115M22.7Very low26.7Very low159 Ų159135.7 Ų135.778%0.78374%0.736SS**  trans12.6135.2149.5-42.4-54.3162.600118.4
1116V29.6Very low26.7Very low127 Ų127138.4 Ų138.477%0.7774%0.741SS**  cis-147.4165.140.6171.10000111.8
1117E25.2Very low27Very low151 Ų151135.4 Ų135.471%0.70673%0.726SS**  trans-42165170.6-49.1160.4118.600115.8
1118F26.8Very low27.3Very low162 Ų162135.3 Ų135.371%0.71173%0.725SS**  cis-156.2146.633.1-120.9-72.3000114.2
1119N28.8Very low27.5Very low124 Ų124136.2 Ų136.266%0.66372%0.724SS**  trans20116159.1-67.1-8000124.2
1120N25.9Very low28.1Very low130 Ų130139.2 Ų139.270%0.69573%0.731SS**  30.9125.9112.2-62.9-22000121.9
1121H27.9Very low28.5Very low180 Ų180135.3 Ų135.383%0.83372%0.722SS**  -167.9101.4118.9-94.9-62.6000108.5
1122T26.9Very low28.7Very low96 Ų96130.5 Ų130.559%0.58971%0.705SS**  79.3120.973.761.30000116.8
1123V27Very low29Very low134 Ų134127.5 Ų127.581%0.81270%0.699SS**  trans78.4138.2134.2165.70000118.2
1124S25.6Very low29.1Very low82 Ų82124.7 Ų124.757%0.57369%0.694SS**  cis-170.9-174.7-1860.80000111.6
1125T28.4Very low29.5Very low115 Ų115124.5 Ų124.571%0.70669%0.691SS**  trans64.5133.3145.948.50000119.7
1126E27.1Very low29.9Very low165 Ų165121.5 Ų121.577%0.77169%0.692SS**  cis-160154.9-5.5-132-168.6122.600115.4
1127S29.8Very low30Very low72 Ų72119.8 Ų119.850%0.50369%0.686SS.*  trans18144.3133.3-167.30000121.7
1128S32.8Very low30Very low107 Ų107116.1 Ų116.175%0.74869%0.688SS**  166.439.7124.351.80000116.8
1129L29.7Very low30.2Very low145 Ų145116.6 Ų116.676%0.75970%0.697SS**SBendtrans-128.7-27173.5-157.365.9000117
1130K38Very low30.3Very low193 Ų193118.4 Ų118.484%0.83971%0.707SS**THydrogen-bonded Turntrans-77.4-29.9179.4-73-174.9175.9179.60113.7
1131T34.2Very low30.3Very low89 Ų89116.5 Ų116.555%0.54670%0.702SS.*THydrogen-bonded Turntrans-72.1-35.7-177.4-36.40000112.7T1133 A1134T1131-T1133 VanDerWaalsContact C-N 3.28Å; T1131-T1133 PolarHBondContact O-N 3.43Å; T1131-A1134 PolarHBondContact O-N 3.49Å
1132A31.2Very low30.2Very low66 Ų66117.3 Ų117.355%0.54570%0.703SS.*Hα-helixtrans-64.1-30.6-179.400000113.1A1134A1132-A1134 VanDerWaalsContact C-N 3.32Å; A1132-A1134 PolarHBondContact O-N 2.79Å
1133T35.9Very low30.2Very low109 Ų109119 Ų11967%0.66972%0.719SS**Hα-helixtrans-73.7-21.4-179.9-46.40000113.2T1131T1131-T1133 VanDerWaalsContact C-N 3.28Å; T1131-T1133 PolarHBondContact O-N 3.43Å
1134A31Very low30.1Very low72 Ų72116.2 Ų116.260%0.59571%0.71SS**Hα-helixtrans-85.2-15.7-178.400000114T1131 A1132T1131-A1134 PolarHBondContact O-N 3.49Å; A1132-A1134 VanDerWaalsContact C-N 3.32Å; A1132-A1134 PolarHBondContact O-N 2.79Å
1135I34.7Very low30.2Very low136 Ų136120 Ų12070%0.69772%0.724SS**Hα-helixtrans-92.6-20.2-175.1-63171.2000111.6S1137I1135-S1137 VanDerWaalsContact C-N 3.29Å; I1135-S1137 PolarHBondContact O-N 3.49Å
1136A32.3Very low30.1Very low96 Ų96120.1 Ų120.179%0.79372%0.72SS**SBendtrans-85.512-177.800000114.8
1137S31.3Very low30.1Very low92 Ų92117.5 Ų117.564%0.64372%0.72SS**SBendtrans-140.353.6-175.462.60000111.2I1135 L1139I1135-S1137 VanDerWaalsContact C-N 3.29Å; I1135-S1137 PolarHBondContact O-N 3.49Å; S1137-L1139 PolarHBondContact O-N 3.01Å
1138G25.6Very low30Very low74 Ų74119.5 Ų119.576%0.76373%0.725SS**  trans-67.7108.7-165.500000115.2
1139L30.9Very low29.8Very low172 Ų172120.8 Ų120.890%0.90172%0.724SS**  trans-146.3150.5143.7-98.7174.9000108S1137S1137-L1139 PolarHBondContact O-N 3.01Å
1140N30.5Very low29.6Very low161 Ų161120.7 Ų120.786%0.86172%0.724SS**  trans-89.3149.9-162.4-102-16.3000114.7
1141P25.4Very low29.1Very low91 Ų91119.3 Ų119.359%0.59173%0.725SS**  trans-89162.4168.237.2-34.4000112.8
1142F26.7Very low28.6Very low197 Ų197122.6 Ų122.686%0.86474%0.736SS**  trans66.4106.1171.2-55.1-75000118.3
1143S26.5Very low28.2Very low132 Ų132127.9 Ų127.992%0.92375%0.749SS**  -132.9138.5115.4-169.90000108.8
1144A24.7Very low27.7Very low74 Ų74130.5 Ų130.561%0.61275%0.751SS**  trans-151.2133.7-177.400000110.6
1145N28.1Very low27.3Very low162 Ų162137.2 Ų137.287%0.86676%0.762SS**  trans-172.3119.1151.3-90.3-33.9000107
1146N26.5Very low26.7Very low117 Ų117138.7 Ų138.763%0.62677%0.766SS**  cis92.5112.519.4-160.622000116
1147S27.2Very low26.2Very low111 Ų111143 Ų14378%0.77677%0.77SS**  trans-154.7105.6160.7530000106.2
1148N27.4Very low25.8Very low113 Ų113143.7 Ų143.760%0.60478%0.775SS**  55.9133.859.3-65.3-18.4000112.5
1149N27.7Very low25.7Very low135 Ų135146.8 Ų146.872%0.72277%0.774SS**  cis-153.4174.117.2-122.1-26.7000115.4
1150N25.9Very low25.3Very low142 Ų142144.8 Ų144.876%0.75976%0.764SS**  trans-68.1156.3-172.2-55.9-78.2000118.2
1151L26.8Very low25Very low164 Ų164143.8 Ų143.886%0.85976%0.758SS**  trans-164.3151146.1-126.879000107.9
1152M23.7Very low24.9Very low159 Ų159146.4 Ų146.478%0.78377%0.767SS**  cis-155168.3-5.8-154.6175.969.400110.1
1153H23.8Very low24.8Very low176 Ų176143 Ų14382%0.81576%0.762SS**  trans-108.8145.4172.7-132.5-84.5000111.7
1154K24.7Very low24.7Very low165 Ų165144.2 Ų144.272%0.71776%0.758SS**  trans110.7121.9177.2-70.8-177.6171.7-175.10112.8
1155Y22.8Very low24.5Very low212 Ų212145 Ų14583%0.83176%0.759SS**  -147.8-16850.2-112.4-84.6000113.1
1156Q22.2Very low24.3Very low167 Ų167145.7 Ų145.778%0.7875%0.754SS**  trans-146.6153-168.7-170.7179.2-2.300110.7
1157Q22.7Very low24.2Very low186 Ų186148.3 Ų148.387%0.86976%0.762SS**  trans73.8145.9-174.9-50.8177.9-0.700113.3
1158S22.2Very low24Very low107 Ų107153.5 Ų153.575%0.74877%0.772SS**  cis-150-178.81.8490000112.2
1159N23.8Very low24Very low139 Ų139153.9 Ų153.974%0.74378%0.778SS**  trans-41.9168.8177.6-35.2-7.3000116.7
1160D22.7Very low23.8Very low130 Ų130151.8 Ų151.870%0.69577%0.774SS**  cis-163.6173.330.7-131.5-42.9000116.1
1161L24.3Very low23.7Very low141 Ų141152.2 Ų152.274%0.73877%0.771SS**  trans60.5127.2153.7-71.8165.6000125.5
1162L23.2Very low23.7Very low146 Ų146148.3 Ų148.376%0.76476%0.758SS**  trans4.5138.8144-84.560.7000120.1
1163T24Very low23.7Very low126 Ų126147.7 Ų147.777%0.77376%0.757SS**  -170.9158.275.828.90000115.3
1164N23.7Very low24Very low156 Ų156144.8 Ų144.883%0.83474%0.744SS**  trans-12.6133163.9-58.6-40.8000120.9
1165S22Very low23.9Very low91 Ų91143.9 Ų143.964%0.63675%0.747SS**  164.4128.8103.6175.20000114.5
1166K23Very low24.4Very low176 Ų176138.7 Ų138.777%0.76573%0.727SS**  trans37113.3149.8-54.5164.8-164.9165.20118.8
1167H24Very low24.9Very low172 Ų172135 Ų13580%0.79672%0.715SS**  177109.6106.9-98.7-77.9000110T1169H1167-T1169 PolarHBondContact O-N 2.74Å
1168F24Very low25.7Very low221 Ų221128.6 Ų128.697%0.96969%0.686SS**  trans-81.1102.9165.6-101.3-84.5000108.5
1169T26.7Very low26.5Very low120 Ų120124.2 Ų124.274%0.73666%0.658SS**  trans-78.9140.817042.20000110.5H1167H1167-T1169 PolarHBondContact O-N 2.74Å
1170S23.3Very low27.5Very low91 Ų91118.3 Ų118.364%0.63663%0.626SS**  trans-71.2128.6163.550.40000109.5
1171H24.5Very low28.4Very low152 Ų152114.2 Ų114.270%0.70461%0.61SS**  175.4126.7124.3-84.3-48.8000110.9
1172S26.5Very low29.4Very low82 Ų82110 Ų11057%0.57359%0.589SS**  trans-144.3105.1152.250.20000107.4H1174S1172-H1174 PolarHBondContact O-N 2.65Å; S1172-H1174 PolarHBondContact OG-CD2 3.24Å
1173N24.3Very low30.2Very low146 Ų146104 Ų10478%0.78156%0.562SS**  trans-74.569.2174.1-78.2-7.8000109.2N1175N1173-N1175 VanDerWaalsContact C-N 3.35Å; N1173-N1175 PolarHBondContact O-N 2.8Å
1174H28.5Very low31.2Very low114 Ų114100.9 Ų100.953%0.52854%0.544SS..  trans-74.491.4171.8-77.8-60.4000109.3S1172 Y1176S1172-H1174 PolarHBondContact O-N 2.65Å; S1172-H1174 PolarHBondContact OG-CD2 3.24Å; H1174-Y1176 HydrophobicContact CB-CD2 3.67Å; H1174-Y1176 HydrophobicContact CB-CE2 3.88Å; H1174-Y1176 HydrophobicContact CB-CG 4.28Å; H1174-Y1176 AromaticContact CG-CE2 3.7Å; H1174-Y1176 AromaticContact ND1-CE2 3.74Å; H1174-Y1176 AromaticContact ND1-CZ 3.8Å; H1174-Y1176 PolarHBondContact O-N 2.89Å
1175N24.4Very low32.7Very low147 Ų14796.8 Ų96.879%0.78652%0.517SS*.  trans-66.957.6157.6-77.9-10.9000110.1N1173 T1177N1173-N1175 VanDerWaalsContact C-N 3.35Å; N1173-N1175 PolarHBondContact O-N 2.8Å; N1175-T1177 PolarHBondContact O-N 3.43Å
1176Y31.9Very low34.1Very low102 Ų10299.2 Ų99.240%0.452%0.522SS..  trans-69.791.5162.2-74.6-46.6000107.5H1174 M1178H1174-Y1176 HydrophobicContact CB-CD2 3.67Å; H1174-Y1176 HydrophobicContact CB-CE2 3.88Å; H1174-Y1176 HydrophobicContact CB-CG 4.28Å; H1174-Y1176 AromaticContact CG-CE2 3.7Å; H1174-Y1176 AromaticContact ND1-CE2 3.74Å; H1174-Y1176 AromaticContact ND1-CZ 3.8Å; H1174-Y1176 PolarHBondContact O-N 2.89Å; Y1176-M1178 VanDerWaalsContact C-N 3.27Å; Y1176-M1178 PolarHBondContact O-N 3.07Å
1177T33.4Very low36.4Very low89 Ų8999 Ų9955%0.54652%0.517SS..  trans-56100.9156.6-530000106.7N1175 G1179N1175-T1177 PolarHBondContact O-N 3.43Å; T1177-G1179 PolarHBondContact O-N 3.42Å
1178M39.8Very low39Very low52 Ų5292.3 Ų92.326%0.25649%0.489SS..  trans-74.258.2175.9-66.7-66.4-85.800109.1Y1176 I1180 R1195Y1176-M1178 VanDerWaalsContact C-N 3.27Å; Y1176-M1178 PolarHBondContact O-N 3.07Å; M1178-I1180 PolarHBondContact O-N 2.82Å; M1178-R1195 WeakPolarHBondContact CE-O 3.35Å
1179G37.4Very low42.1Very low15 Ų1582.8 Ų82.816%0.15545%0.449CS..  trans-6979.7178.800000109.5Q945 T1177 A1181Q945-G1179 PolarHBondContact NE2-O 2.86Å; Q945-G1179 PolarHBondContact OE1-O 3.42Å; T1177-G1179 PolarHBondContact O-N 3.42Å; G1179-A1181 PolarHBondContact O-N 3.33Å; G1179-A1181 VanDerWaalsContact O-N 3.17Å
1180I45.9Very low45.2Very low15 Ų1577.3 Ų77.38%0.07742%0.415CS..  trans-54.2116.5162.5-60.5166.5000105.4M1178 L1182 W1185 V1196M1178-I1180 PolarHBondContact O-N 2.82Å; I1180-L1182 WeakPolarHBondContact O-CD2 3.43Å; I1180-L1182 WeakPolarHBondContact O-CG 3.32Å; I1180-L1182 PolarHBondContact O-N 3.38Å; I1180-L1182 VanDerWaalsContact O-N 3.08Å; I1180-W1185 HydrophobicContact CG2-CZ2 4Å; I1180-V1196 HydrophobicContact CD1-CG1 3.92Å; I1180-V1196 HydrophobicContact CG1-CG1 4.37Å
1181A42.3Very low48.4Very low44 Ų4473 Ų7336%0.36439%0.385SS..  trans-59.5121.5177.500000108G1179 G1183 W1185G1179-A1181 PolarHBondContact O-N 3.33Å; G1179-A1181 VanDerWaalsContact O-N 3.17Å; A1181-G1183 PolarHBondContact O-N 3.47Å; A1181-W1185 HydrophobicContact CB-CH2 3.93Å; A1181-W1185 HydrophobicContact CB-CZ2 4.46Å; A1181-W1185 WeakPolarHBondContact O-CZ2 3.34Å
1182L45Very low51.4Low54 Ų5466.2 Ų66.228%0.28335%0.354SS..  trans-76.511.5-157.1-69.7176.8000115.4I1180 P1231 I1244 R1301 V1303I1180-L1182 WeakPolarHBondContact O-CD2 3.43Å; I1180-L1182 WeakPolarHBondContact O-CG 3.32Å; I1180-L1182 PolarHBondContact O-N 3.38Å; I1180-L1182 VanDerWaalsContact O-N 3.08Å; L1182-P1231 HydrophobicContact CD2-CG 4.11Å; L1182-I1244 HydrophobicContact CD1-CG1 3.89Å; L1182-I1244 HydrophobicContact CD2-CD1 4.27Å; L1182-I1244 HydrophobicContact CD2-CG1 3.74Å; L1182-R1301 PolarHBondContact O-NH2 2.86Å; L1182-V1303 HydrophobicContact CB-CG2 4.19Å
1183G38.9Very low54.5Low20 Ų2062.5 Ų62.521%0.20633%0.327CS..SBendtrans-70.9167.9-178.700000115A1181 R1301A1181-G1183 PolarHBondContact O-N 3.47Å; G1183-R1301 PolarHBondContact O-NH2 3.21Å
1184P45.1Very low57.8Low60 Ų6055.5 Ų55.539%0.3929%0.29SS..  trans-68140.7162.930.4-33.1000110.1
1185W55.8Low60.7Low70 Ų7050.9 Ų50.927%0.26527%0.268SS..  trans-10890.3179.4-53.1116.4000109.9Y947 I1180 A1181 R1187 P1188 H1192Y947-W1185 HydrophobicContact CD2-CH2 4.17Å; Y947-W1185 HydrophobicContact CD2-CZ3 4.46Å; Y947-W1185 AromaticContact CE2-CH2 3.55Å; Y947-W1185 HydrophobicContact CE2-CH2 3.55Å; Y947-W1185 HydrophobicContact CE2-CZ2 4.37Å; Y947-W1185 HydrophobicContact CE2-CZ3 4.27Å; Y947-W1185 AromaticContact CZ-CH2 3.95Å; I1180-W1185 HydrophobicContact CG2-CZ2 4Å; A1181-W1185 HydrophobicContact CB-CH2 3.93Å; A1181-W1185 HydrophobicContact CB-CZ2 4.46Å; A1181-W1185 WeakPolarHBondContact O-CZ2 3.34Å; W1185-R1187 PolarHBondContact O-N 2.76Å; W1185-R1187 VanDerWaalsContact O-N 3.13Å; W1185-P1188 HydrophobicContact CB-CB 4.41Å; W1185-P1188 WeakPolarHBondContact O-CD 3.48Å; W1185-H1192 AromaticContact CD2-CD2 3.59Å; W1185-H1192 AromaticContact CD2-NE2 3.9Å; W1185-H1192 AromaticContact CE2-CD2 3.77Å; W1185-H1192 AromaticContact CE3-CD2 3.48Å; W1185-H1192 VanDerWaalsContact CE3-CD2 3.48Å; W1185-H1192 AromaticContact CE3-NE2 3.27Å; W1185-H1192 VanDerWaalsContact CE3-NE2 3.27Å; W1185-H1192 AromaticContact CH2-CD2 3.68Å; W1185-H1192 AromaticContact CH2-NE2 3.77Å; W1185-H1192 AromaticContact CZ2-CD2 3.82Å; W1185-H1192 AromaticContact CZ3-CD2 3.53Å; W1185-H1192 AromaticContact CZ3-NE2 3.2Å; W1185-H1192 WeakPolarHBondContact CZ3-NE2 3.19Å
1186D51.8Low63.6Low141 Ų14144.1 Ų44.175%0.75423%0.232SC*.SBendtrans-48.2-42.2178.9-85.2-32000113.4
1187R69.9Low66.4Low171 Ų17139.2 Ų39.265%0.64521%0.213SC*.SBendtrans-139.984.7-177-68-175.5176.3151.8-1.1109.8S926 W1185 T1189S926-R1187 PolarHBondContact OG-NH2 3.08Å; W1185-R1187 PolarHBondContact O-N 2.76Å; W1185-R1187 VanDerWaalsContact O-N 3.13Å; R1187-T1189 WeakPolarHBondContact O-CG2 3.39Å; R1187-T1189 PolarHBondContact O-N 3.41Å
1188P79.4Confident69.1Low32 Ų3235.2 Ų35.221%0.20819%0.188CC..  trans-65.6124.4-177.726.6-34000111T1061 W1185 F1193 L1229T1061-P1188 WeakPolarHBondContact CG2-O 3.36Å; W1185-P1188 HydrophobicContact CB-CB 4.41Å; W1185-P1188 WeakPolarHBondContact O-CD 3.48Å; P1188-F1193 HydrophobicContact CB-CE2 3.94Å; P1188-F1193 HydrophobicContact CB-CZ 4.25Å; P1188-F1193 HydrophobicContact CG-CE2 4.28Å; P1188-F1193 HydrophobicContact CG-CZ 4.36Å; P1188-L1229 HydrophobicContact CB-CD1 3.25Å; P1188-L1229 HydrophobicContact CG-CD1 4.13Å
1189T88.5Confident71.1Confident22 Ų2234.2 Ų34.214%0.13518%0.182CC..  trans-100168.3-177.171.70000112.4R1187 A1191 H1192 F1193R1187-T1189 WeakPolarHBondContact O-CG2 3.39Å; R1187-T1189 PolarHBondContact O-N 3.41Å; T1189-A1191 PolarHBondContact O-N 3.12Å; T1189-A1191 VanDerWaalsContact O-N 3.09Å; T1189-H1192 PolarHBondContact N-ND1 2.99Å; T1189-H1192 WeakPolarHBondContact O-CB 3.3Å; T1189-H1192 PolarHBondContact O-N 3.01Å; T1189-H1192 PolarHBondContact OG1-CE1 2.95Å; T1189-H1192 PolarHBondContact OG1-ND1 3.5Å; T1189-F1193 WeakPolarHBondContact O-CD2 3.22Å; T1189-F1193 PolarHBondContact O-N 3.03Å
1190A91.9Very high73.4Confident4 Ų433.6 Ų33.63%0.03318%0.175CC..Hα-helixtrans-41.8-42.3171.900000114.9F958 L1060 T1061 W1064 H1192 F1193 A1194F958-A1190 HydrophobicContact CE1-CB 3.97Å; F958-A1190 HydrophobicContact CZ-CB 4.25Å; L1060-A1190 HydrophobicContact CD2-CB 3.94Å; L1060-A1190 HydrophobicContact CG-CB 3.69Å; T1061-A1190 PolarHBondContact OG1-N 3.09Å; T1061-A1190 VanDerWaalsContact OG1-N 3.15Å; W1064-A1190 HydrophobicContact CG-CB 4.4Å; A1190-H1192 PolarHBondContact O-N 3.35Å; A1190-F1193 PolarHBondContact O-N 3.2Å; A1190-A1194 WeakPolarHBondContact O-CB 3.43Å; A1190-A1194 PolarHBondContact O-N 3.46Å
1191A90.9Very high75.6Confident0 Ų033.1 Ų33.10%017%0.172CC..Hα-helixtrans-62.8-38.217900000112.9Y947 V948 F958 T1189 A1194 R1195Y947-A1191 HydrophobicContact CD1-CB 4.18Å; V948-A1191 WeakPolarHBondContact O-CB 3.39Å; F958-A1191 HydrophobicContact CZ-CB 4.41Å; T1189-A1191 PolarHBondContact O-N 3.12Å; T1189-A1191 VanDerWaalsContact O-N 3.09Å; A1191-A1194 PolarHBondContact O-N 3.36Å; A1191-R1195 WeakPolarHBondContact O-CB 3.48Å; A1191-R1195 PolarHBondContact O-N 3.22Å
1192H87.9Confident77.4Confident11 Ų1132.9 Ų32.95%0.05117%0.166CC..Hα-helixtrans-66.2-44.8178.5-59.776.7000111Y947 W1185 T1189 A1190 R1195 V1196 L1229Y947-H1192 AromaticContact CG-NE2 3.86Å; W1185-H1192 AromaticContact CD2-CD2 3.59Å; W1185-H1192 AromaticContact CD2-NE2 3.9Å; W1185-H1192 AromaticContact CE2-CD2 3.77Å; W1185-H1192 AromaticContact CE3-CD2 3.48Å; W1185-H1192 VanDerWaalsContact CE3-CD2 3.48Å; W1185-H1192 AromaticContact CE3-NE2 3.27Å; W1185-H1192 VanDerWaalsContact CE3-NE2 3.27Å; W1185-H1192 AromaticContact CH2-CD2 3.68Å; W1185-H1192 AromaticContact CH2-NE2 3.77Å; W1185-H1192 AromaticContact CZ2-CD2 3.82Å; W1185-H1192 AromaticContact CZ3-CD2 3.53Å; W1185-H1192 AromaticContact CZ3-NE2 3.2Å; W1185-H1192 WeakPolarHBondContact CZ3-NE2 3.19Å; T1189-H1192 PolarHBondContact N-ND1 2.99Å; T1189-H1192 WeakPolarHBondContact O-CB 3.3Å; T1189-H1192 PolarHBondContact O-N 3.01Å; T1189-H1192 PolarHBondContact OG1-CE1 2.95Å; T1189-H1192 PolarHBondContact OG1-ND1 3.5Å; A1190-H1192 PolarHBondContact O-N 3.35Å; H1192-R1195 PolarHBondContact O-N 3.12Å; H1192-V1196 PolarHBondContact O-N 3.37Å; H1192-L1229 HydrophobicContact CB-CD1 4.19Å; H1192-L1229 HydrophobicContact CB-CD2 4.11Å; H1192-L1229 WeakPolarHBondContact O-CD2 3.29Å
1193F92Very high79Confident3 Ų330.7 Ų30.71%0.01315%0.154CC..Hα-helixtrans-66.4-42.9175.6-71.6-71.6000112.1T1061 W1064 A1065 C1068 P1188 T1189 A1190 R1195 V1196 A1197 L1228 L1229T1061-F1193 HydrophobicContact CG2-CD2 4.37Å; T1061-F1193 HydrophobicContact CG2-CE2 4.25Å; W1064-F1193 HydrophobicContact CB-CB 3.78Å; A1065-F1193 HydrophobicContact CB-CD1 3.85Å; A1065-F1193 HydrophobicContact CB-CD2 3.96Å; A1065-F1193 HydrophobicContact CB-CE1 3.68Å; A1065-F1193 HydrophobicContact CB-CE2 3.8Å; A1065-F1193 HydrophobicContact CB-CG 3.99Å; A1065-F1193 HydrophobicContact CB-CZ 3.66Å; C1068-F1193 PolarHBondContact SG-O 2.8Å; C1068-F1193 VanDerWaalsContact SG-O 3.35Å; P1188-F1193 HydrophobicContact CB-CE2 3.94Å; P1188-F1193 HydrophobicContact CB-CZ 4.25Å; P1188-F1193 HydrophobicContact CG-CE2 4.28Å; P1188-F1193 HydrophobicContact CG-CZ 4.36Å; T1189-F1193 WeakPolarHBondContact O-CD2 3.22Å; T1189-F1193 PolarHBondContact O-N 3.03Å; A1190-F1193 PolarHBondContact O-N 3.2Å; F1193-R1195 VanDerWaalsContact C-N 3.34Å; F1193-R1195 PolarHBondContact O-N 3.04Å; F1193-V1196 VanDerWaalsContact O-CG2 3.25Å; F1193-V1196 WeakPolarHBondContact O-CG2 3.3Å; F1193-V1196 PolarHBondContact O-N 3.37Å; F1193-A1197 PolarHBondContact O-N 3.41Å; F1193-L1228 HydrophobicContact CD1-CD1 4.2Å; F1193-L1228 HydrophobicContact CE1-CB 4.2Å; F1193-L1228 HydrophobicContact CE1-CD1 3.93Å; F1193-L1229 HydrophobicContact CD1-CD1 4.2Å; F1193-L1229 HydrophobicContact CD1-CD2 4.01Å; F1193-L1229 HydrophobicContact CD1-CG 4.1Å; F1193-L1229 HydrophobicContact CD2-CD1 4.48Å; F1193-L1229 HydrophobicContact CE1-CD1 3.76Å; F1193-L1229 HydrophobicContact CE1-CD2 4.27Å; F1193-L1229 HydrophobicContact CE1-CG 3.82Å; F1193-L1229 HydrophobicContact CE2-CD1 4.06Å; F1193-L1229 HydrophobicContact CG-CD2 4.43Å; F1193-L1229 HydrophobicContact CZ-CD1 3.68Å; F1193-L1229 HydrophobicContact CZ-CG 4.27Å
1194A93.8Very high81.2Confident0 Ų029.9 Ų29.90%015%0.145CC..Hα-helixtrans-59.6-42.9174.800000112F958 W1064 R1091 A1092 A1190 A1191 V1196 A1197 P1198F958-A1194 HydrophobicContact CE2-CB 3.53Å; F958-A1194 HydrophobicContact CZ-CB 3.71Å; W1064-A1194 HydrophobicContact CD2-CB 3.86Å; W1064-A1194 HydrophobicContact CE3-CB 3.81Å; W1064-A1194 HydrophobicContact CH2-CB 3.94Å; W1064-A1194 HydrophobicContact CZ2-CB 3.98Å; W1064-A1194 HydrophobicContact CZ3-CB 3.84Å; R1091-A1194 HydrophobicContact CB-CB 4.49Å; A1092-A1194 WeakPolarHBondContact CB-O 3.17Å; A1190-A1194 WeakPolarHBondContact O-CB 3.43Å; A1190-A1194 PolarHBondContact O-N 3.46Å; A1191-A1194 PolarHBondContact O-N 3.36Å; A1194-V1196 VanDerWaalsContact C-N 3.3Å; A1194-V1196 PolarHBondContact O-N 3.32Å; A1194-A1197 PolarHBondContact O-N 2.96Å; A1194-P1198 WeakPolarHBondContact O-CD 3.5Å
1195R87.7Confident83Confident17 Ų1729.2 Ų29.26%0.06414%0.138CC..Hα-helixtrans-59.2-36177.7-166.866.8179.1146.55.5113Y947 A1092 D1093 S1095 M1178 A1191 H1192 F1193Y947-R1195 HydrophobicContact CE1-CB 3.99Å; Y947-R1195 HydrophobicContact CE1-CG 4.06Å; A1092-R1195 WeakPolarHBondContact O-CD 3.48Å; A1092-R1195 PolarHBondContact O-NH1 2.93Å; D1093-R1195 IonicContact OD1-NH1 2.67Å; D1093-R1195 PolarHBondContact OD1-NH1 2.9Å; S1095-R1195 WeakPolarHBondContact OG-CD 3.48Å; M1178-R1195 WeakPolarHBondContact CE-O 3.35Å; A1191-R1195 WeakPolarHBondContact O-CB 3.48Å; A1191-R1195 PolarHBondContact O-N 3.22Å; H1192-R1195 PolarHBondContact O-N 3.12Å; F1193-R1195 VanDerWaalsContact C-N 3.34Å; F1193-R1195 PolarHBondContact O-N 3.04Å
1196V85.3Confident83.5Confident4 Ų428.4 Ų28.42%0.02414%0.139CC..Hα-helixtrans-87.8-13.9177.8-59.10000114.3I1180 H1192 F1193 A1194 R1199 W1200 L1229I1180-V1196 HydrophobicContact CD1-CG1 3.92Å; I1180-V1196 HydrophobicContact CG1-CG1 4.37Å; H1192-V1196 PolarHBondContact O-N 3.37Å; F1193-V1196 VanDerWaalsContact O-CG2 3.25Å; F1193-V1196 WeakPolarHBondContact O-CG2 3.3Å; F1193-V1196 PolarHBondContact O-N 3.37Å; A1194-V1196 VanDerWaalsContact C-N 3.3Å; A1194-V1196 PolarHBondContact O-N 3.32Å; V1196-R1199 WeakPolarHBondContact O-CB 3.46Å; V1196-R1199 PolarHBondContact O-N 3.08Å; V1196-R1199 VanDerWaalsContact O-N 3.16Å; V1196-W1200 PolarHBondContact O-N 2.71Å; V1196-W1200 VanDerWaalsContact O-N 3.12Å; V1196-L1229 HydrophobicContact CB-CD2 4.47Å; V1196-L1229 HydrophobicContact CG1-CD2 3.93Å; V1196-L1229 HydrophobicContact CG2-CD2 3.66Å
1197A92.3Very high84.4Confident0 Ų024.2 Ų24.20%012%0.118CC..Hα-helixtrans-60.5-39.5-173.200000114.6W1064 L1067 L1071 L1088 F1193 A1194 R1199 W1200 F1201W1064-A1197 HydrophobicContact CE3-CB 4.49Å; W1064-A1197 HydrophobicContact CZ3-CB 4.07Å; L1067-A1197 HydrophobicContact CD2-CB 4.35Å; L1071-A1197 HydrophobicContact CD1-CB 4.46Å; L1088-A1197 HydrophobicContact CB-CB 4.48Å; L1088-A1197 HydrophobicContact CD1-CB 4.4Å; L1088-A1197 HydrophobicContact CD2-CB 3.92Å; L1088-A1197 HydrophobicContact CG-CB 4.48Å; F1193-A1197 PolarHBondContact O-N 3.41Å; A1194-A1197 PolarHBondContact O-N 2.96Å; A1197-R1199 VanDerWaalsContact C-N 3.32Å; A1197-R1199 PolarHBondContact O-N 3.42Å; A1197-W1200 PolarHBondContact O-N 3.45Å; A1197-F1201 WeakPolarHBondContact O-CB 3.46Å; A1197-F1201 PolarHBondContact O-N 3.16Å
1198P89Confident84.9Confident4 Ų417 Ų173%0.02610%0.098CC..Hα-helixtrans-60-37.7174.4-25.735.2000113.6Y1085 L1088 A1092 A1194 F1201 V1202Y1085-P1198 HydrophobicContact CE2-CB 4.03Å; L1088-P1198 HydrophobicContact CB-CG 4.17Å; A1092-P1198 HydrophobicContact CB-CG 3.57Å; A1194-P1198 WeakPolarHBondContact O-CD 3.5Å; P1198-F1201 WeakPolarHBondContact O-CB 3.28Å; P1198-F1201 PolarHBondContact O-N 2.83Å; P1198-V1202 WeakPolarHBondContact O-CG2 3.13Å; P1198-V1202 PolarHBondContact O-N 3.36Å
1199R81.8Confident85.1Confident32 Ų3218.1 Ų18.112%0.12110%0.103CC..Hα-helixtrans-66.1-46.5175.4175-170.1178.5179.78.1111.1V1196 A1197 F1201 V1202 R1203 C1232 S1236 E1240V1196-R1199 WeakPolarHBondContact O-CB 3.46Å; V1196-R1199 PolarHBondContact O-N 3.08Å; V1196-R1199 VanDerWaalsContact O-N 3.16Å; A1197-R1199 VanDerWaalsContact C-N 3.32Å; A1197-R1199 PolarHBondContact O-N 3.42Å; R1199-F1201 VanDerWaalsContact C-N 3.26Å; R1199-F1201 PolarHBondContact O-N 2.73Å; R1199-V1202 PolarHBondContact O-N 2.83Å; R1199-R1203 WeakPolarHBondContact O-CB 3.46Å; R1199-R1203 PolarHBondContact O-N 2.82Å; R1199-C1232 PolarHBondContact NH2-SG 3.49Å; R1199-S1236 PolarHBondContact NH2-OG 3.3Å; R1199-E1240 IonicContact CZ-OE1 3.92Å; R1199-E1240 IonicContact CZ-OE2 2.61Å; R1199-E1240 VanDerWaalsContact CZ-OE2 3.26Å; R1199-E1240 IonicContact NE-OE1 3.38Å; R1199-E1240 IonicContact NE-OE2 2.81Å; R1199-E1240 IonicContact NH1-OE1 3.61Å; R1199-E1240 PolarHBondContact NH1-OE1 3.08Å; R1199-E1240 IonicContact NH1-OE2 3.73Å; R1199-E1240 IonicContact NH2-OE1 3.01Å; R1199-E1240 PolarHBondContact NH2-OE1 3.01Å; R1199-E1240 IonicContact NH2-OE2 3.76Å; R1199-E1240 PolarHBondContact NH2-OE2 3.32Å
1200W86.9Confident84.7Confident2 Ų219.4 Ų19.41%0.00811%0.106CC..Hα-helixtrans-62.1-35.4175.9-79.2109.7000112.1L1071 Y1072 V1196 A1197 R1203 S1204 F1227 L1228L1071-W1200 HydrophobicContact CB-CB 3.91Å; L1071-W1200 HydrophobicContact CD1-CB 4.17Å; Y1072-W1200 HydrophobicContact CD2-CE3 4.25Å; Y1072-W1200 AromaticContact CD2-CH2 3.7Å; Y1072-W1200 HydrophobicContact CD2-CH2 3.7Å; Y1072-W1200 AromaticContact CD2-CZ3 3.4Å; Y1072-W1200 HydrophobicContact CD2-CZ3 3.4Å; Y1072-W1200 VanDerWaalsContact CD2-CZ3 3.4Å; Y1072-W1200 HydrophobicContact CE2-CH2 4.23Å; Y1072-W1200 HydrophobicContact CE2-CZ3 4.17Å; Y1072-W1200 HydrophobicContact CG-CZ3 4.26Å; V1196-W1200 PolarHBondContact O-N 2.71Å; V1196-W1200 VanDerWaalsContact O-N 3.12Å; A1197-W1200 PolarHBondContact O-N 3.45Å; W1200-R1203 VanDerWaalsContact CZ3-CD 3.44Å; W1200-R1203 PolarHBondContact O-N 2.81Å; W1200-S1204 WeakPolarHBondContact O-CB 3.48Å; W1200-S1204 PolarHBondContact O-N 2.99Å; W1200-F1227 AromaticContact CH2-CD1 3.83Å; W1200-F1227 HydrophobicContact CH2-CD1 3.83Å; W1200-F1227 AromaticContact CH2-CE1 3.76Å; W1200-F1227 HydrophobicContact CH2-CE1 3.76Å; W1200-F1227 HydrophobicContact CZ2-CD1 4.19Å; W1200-F1227 HydrophobicContact CZ2-CE1 4.36Å; W1200-L1228 HydrophobicContact CD2-CD2 3.99Å; W1200-L1228 HydrophobicContact CG-CD2 4.31Å; W1200-L1228 HydrophobicContact CZ2-CD2 4.03Å; W1200-L1228 PolarHBondContact NE1-O 3.18Å
1201F91.2Very high83.3Confident4 Ų429 Ų292%0.01815%0.147CC..Hα-helixtrans-62.9-50.1171.7171-80.4000112.6L1071 P1076 R1081 L1084 Y1085 L1088 A1197 P1198 R1199 R1203 S1204 L1205L1071-F1201 HydrophobicContact CD1-CB 4.08Å; L1071-F1201 HydrophobicContact CD2-CB 4.13Å; L1071-F1201 HydrophobicContact CD2-CD2 4.21Å; P1076-F1201 HydrophobicContact CG-CD2 4.38Å; P1076-F1201 HydrophobicContact CG-CE2 3.77Å; R1081-F1201 HydrophobicContact CG-CE1 4.47Å; R1081-F1201 HydrophobicContact CG-CE2 4.39Å; R1081-F1201 HydrophobicContact CG-CZ 3.63Å; R1081-F1201 VanDerWaalsContact O-CE2 3.3Å; R1081-F1201 WeakPolarHBondContact O-CE2 3.16Å; R1081-F1201 WeakPolarHBondContact O-CZ 3.33Å; L1084-F1201 HydrophobicContact CB-CE2 4.15Å; L1084-F1201 HydrophobicContact CD2-CD2 4.11Å; L1084-F1201 HydrophobicContact CD2-CE2 4.19Å; L1084-F1201 HydrophobicContact CG-CD2 4.22Å; L1084-F1201 HydrophobicContact CG-CE2 4.2Å; Y1085-F1201 AromaticContact CD2-CD1 3.41Å; Y1085-F1201 HydrophobicContact CD2-CD1 3.41Å; Y1085-F1201 VanDerWaalsContact CD2-CD1 3.41Å; Y1085-F1201 AromaticContact CD2-CE1 3.45Å; Y1085-F1201 HydrophobicContact CD2-CE1 3.45Å; Y1085-F1201 VanDerWaalsContact CD2-CE1 3.45Å; Y1085-F1201 HydrophobicContact CD2-CG 4.17Å; Y1085-F1201 HydrophobicContact CD2-CZ 4.21Å; Y1085-F1201 HydrophobicContact CE2-CD1 4.12Å; Y1085-F1201 HydrophobicContact CE2-CE1 4.37Å; Y1085-F1201 HydrophobicContact CG-CD1 4.22Å; Y1085-F1201 AromaticContact CG-CE1 3.8Å; Y1085-F1201 HydrophobicContact CG-CE1 3.8Å; Y1085-F1201 HydrophobicContact CG-CZ 4.25Å; L1088-F1201 HydrophobicContact CD1-CB 3.87Å; L1088-F1201 HydrophobicContact CD1-CD2 3.99Å; L1088-F1201 HydrophobicContact CD1-CG 4.22Å; A1197-F1201 WeakPolarHBondContact O-CB 3.46Å; A1197-F1201 PolarHBondContact O-N 3.16Å; P1198-F1201 WeakPolarHBondContact O-CB 3.28Å; P1198-F1201 PolarHBondContact O-N 2.83Å; R1199-F1201 VanDerWaalsContact C-N 3.26Å; R1199-F1201 PolarHBondContact O-N 2.73Å; F1201-R1203 VanDerWaalsContact C-N 3.28Å; F1201-R1203 PolarHBondContact O-N 3.04Å; F1201-S1204 WeakPolarHBondContact O-CB 3.37Å; F1201-S1204 PolarHBondContact O-N 3.39Å; F1201-S1204 VanDerWaalsContact O-N 3.14Å; F1201-S1204 PolarHBondContact O-OG 3.06Å; F1201-L1205 HydrophobicContact CD1-CD1 3.9Å; F1201-L1205 HydrophobicContact CE1-CD1 3.38Å; F1201-L1205 HydrophobicContact CZ-CD1 3.83Å; F1201-L1205 PolarHBondContact O-N 3.25Å
1202V79.6Confident81.9Confident40 Ų4031.3 Ų31.324%0.24216%0.161CC..Hα-helixtrans-60-41.4176.3171.40000110.6Y1085 P1198 R1199 S1204 L1205 N1206Y1085-V1202 HydrophobicContact CE2-CG2 4.32Å; P1198-V1202 WeakPolarHBondContact O-CG2 3.13Å; P1198-V1202 PolarHBondContact O-N 3.36Å; R1199-V1202 PolarHBondContact O-N 2.83Å; V1202-S1204 PolarHBondContact O-N 2.86Å; V1202-L1205 PolarHBondContact O-N 2.88Å; V1202-N1206 PolarHBondContact O-N 3.08Å; V1202-N1206 VanDerWaalsContact O-N 3.1Å
1203R79.8Confident80.6Confident8 Ų835.5 Ų35.53%0.0319%0.191CC..Hα-helixtrans-62.7-40.9175.5-160.3-168.4-167.1128.410.8112.7R1199 W1200 F1201 L1205 N1206 V1207 C1232 F1234 E1294 E1455R1199-R1203 WeakPolarHBondContact O-CB 3.46Å; R1199-R1203 PolarHBondContact O-N 2.82Å; W1200-R1203 VanDerWaalsContact CZ3-CD 3.44Å; W1200-R1203 PolarHBondContact O-N 2.81Å; F1201-R1203 VanDerWaalsContact C-N 3.28Å; F1201-R1203 PolarHBondContact O-N 3.04Å; R1203-L1205 PolarHBondContact O-N 3.37Å; R1203-N1206 PolarHBondContact O-N 3.31Å; R1203-N1206 VanDerWaalsContact O-N 3.17Å; R1203-V1207 HydrophobicContact CG-CG2 4.07Å; R1203-V1207 WeakPolarHBondContact O-CB 3.26Å; R1203-V1207 WeakPolarHBondContact O-CG2 3.37Å; R1203-V1207 PolarHBondContact O-N 3.02Å; R1203-C1232 PolarHBondContact NH1-SG 3.44Å; R1203-F1234 VanDerWaalsContact CZ-O 3.28Å; R1203-F1234 PolarHBondContact NH1-O 3.17Å; R1203-F1234 VanDerWaalsContact NH1-O 3.17Å; R1203-F1234 PolarHBondContact NH2-O 2.92Å; R1203-E1294 IonicContact NH2-OE1 2.71Å; R1203-E1455 IonicContact CZ-OE2 2.71Å; R1203-E1455 IonicContact NE-OE2 2.76Å; R1203-E1455 IonicContact NH2-OE2 2.62Å; R1203-E1455 PolarHBondContact NH2-OE2 3.32Å
1204S85.1Confident79.7Confident3 Ų341.1 Ų41.12%0.02122%0.22CC..Hα-helixtrans-58.3-33.5177.282.60000112.1L1071 P1075 W1200 F1201 V1202 G1208L1071-S1204 WeakPolarHBondContact O-CB 3.37Å; P1075-S1204 WeakPolarHBondContact CA-OG 3.29Å; P1075-S1204 WeakPolarHBondContact CB-OG 3.48Å; P1075-S1204 WeakPolarHBondContact CD-O 3.49Å; P1075-S1204 WeakPolarHBondContact CG-O 3.2Å; W1200-S1204 WeakPolarHBondContact O-CB 3.48Å; W1200-S1204 PolarHBondContact O-N 2.99Å; F1201-S1204 WeakPolarHBondContact O-CB 3.37Å; F1201-S1204 PolarHBondContact O-N 3.39Å; F1201-S1204 VanDerWaalsContact O-N 3.14Å; F1201-S1204 PolarHBondContact O-OG 3.06Å; V1202-S1204 PolarHBondContact O-N 2.86Å; S1204-G1208 VanDerWaalsContact O-CA 3.25Å; S1204-G1208 WeakPolarHBondContact O-CA 3.41Å; S1204-G1208 PolarHBondContact O-N 2.87Å
1205L81.3Confident79Confident46 Ų4643.7 Ų43.724%0.24124%0.238CC..Hα-helixtrans-77.8-38.3177.6-65165000112.1P1075 R1081 F1201 V1202 R1203P1075-L1205 HydrophobicContact CB-CD2 3.77Å; P1075-L1205 HydrophobicContact CB-CG 4.32Å; R1081-L1205 HydrophobicContact CG-CD1 4.26Å; R1081-L1205 HydrophobicContact CG-CD2 4.2Å; F1201-L1205 HydrophobicContact CD1-CD1 3.9Å; F1201-L1205 HydrophobicContact CE1-CD1 3.38Å; F1201-L1205 HydrophobicContact CZ-CD1 3.83Å; F1201-L1205 PolarHBondContact O-N 3.25Å; V1202-L1205 PolarHBondContact O-N 2.88Å; R1203-L1205 PolarHBondContact O-N 3.37Å
1206N67.9Low78.8Confident52 Ų5243 Ų4328%0.27824%0.236SC..Hα-helixtrans-71.7-36.7178.1-66.4-19.1000112.9V1202 R1203 S1457 R1553V1202-N1206 PolarHBondContact O-N 3.08Å; V1202-N1206 VanDerWaalsContact O-N 3.1Å; R1203-N1206 PolarHBondContact O-N 3.31Å; R1203-N1206 VanDerWaalsContact O-N 3.17Å; N1206-S1457 PolarHBondContact ND2-O 3.37Å; N1206-S1457 VanDerWaalsContact ND2-O 3.12Å; N1206-R1553 PolarHBondContact ND2-NH1 3.13Å; N1206-R1553 VanDerWaalsContact ND2-NH1 3.16Å; N1206-R1553 PolarHBondContact ND2-NH2 2.82Å; N1206-R1553 PolarHBondContact OD1-NH1 2.98Å
1207V70.7Confident78.8Confident53 Ų5345.2 Ų45.232%0.32125%0.251SS..Hα-helixtrans-86.3-30.8178.7175.20000111.7R1203 R1210 E1455R1203-V1207 HydrophobicContact CG-CG2 4.07Å; R1203-V1207 WeakPolarHBondContact O-CB 3.26Å; R1203-V1207 WeakPolarHBondContact O-CG2 3.37Å; R1203-V1207 PolarHBondContact O-N 3.02Å; V1207-R1210 HydrophobicContact CG1-CG 4.25Å; V1207-E1455 HydrophobicContact CG2-CG 4.43Å
1208G79.9Confident78.5Confident21 Ų2148.8 Ų48.822%0.21627%0.27CS..  trans72.7-158.5-170.900000112.5S1204 R1210S1204-G1208 VanDerWaalsContact O-CA 3.25Å; S1204-G1208 WeakPolarHBondContact O-CA 3.41Å; S1204-G1208 PolarHBondContact O-N 2.87Å; G1208-R1210 PolarHBondContact O-N 3.21Å
1209V84.1Confident78Confident54 Ų5454.8 Ų54.833%0.32730%0.297SS..  trans-75.7120.2178.4-1770000109.8L1034 R1040 F1074 K1211L1034-V1209 HydrophobicContact CD2-CG1 3.6Å; R1040-V1209 VanDerWaalsContact NH1-CG2 3.31Å; F1074-V1209 HydrophobicContact CB-CG1 4.37Å; F1074-V1209 HydrophobicContact CB-CG2 4.27Å; V1209-K1211 PolarHBondContact O-N 2.88Å; V1209-K1211 VanDerWaalsContact O-N 3.16Å
1210R79.8Confident78Confident50 Ų5056.1 Ų56.119%0.18931%0.305CS..  trans-66.3112.5169.2-64.2-169.6-171.8-111.77109.2Y1072 Y1073 V1207 G1208 T1212Y1072-R1210 VanDerWaalsContact CE1-CZ 3.47Å; Y1072-R1210 VanDerWaalsContact CE1-NE 3.29Å; Y1072-R1210 VanDerWaalsContact CE2-NH2 3.25Å; Y1072-R1210 VanDerWaalsContact CZ-NH2 3.28Å; Y1072-R1210 WeakPolarHBondContact O-CD 3.41Å; Y1072-R1210 PolarHBondContact O-NE 2.88Å; Y1072-R1210 PolarHBondContact OH-NH1 3.33Å; Y1073-R1210 HydrophobicContact CD1-CB 4.21Å; Y1073-R1210 PolarHBondContact O-N 3Å; V1207-R1210 HydrophobicContact CG1-CG 4.25Å; G1208-R1210 PolarHBondContact O-N 3.21Å; R1210-T1212 PolarHBondContact O-N 3.1Å
1211K62.2Low78Confident206 Ų20656.3 Ų56.390%0.89631%0.306SS*.  trans-79.279-179.5-69.8-174.1177.5-177.80111.4V1209V1209-K1211 PolarHBondContact O-N 2.88Å; V1209-K1211 VanDerWaalsContact O-N 3.16Å
1212T62.5Low77.5Confident48 Ų4858.2 Ų58.229%0.29432%0.319SS..  trans-84.5126.5158.268.60000108.3L1034 R1210 I1214L1034-T1212 WeakPolarHBondContact CD1-OG1 3.36Å; R1210-T1212 PolarHBondContact O-N 3.1Å; T1212-I1214 WeakPolarHBondContact CB-O 3.48Å; T1212-I1214 PolarHBondContact O-N 2.63Å; T1212-I1214 PolarHBondContact OG1-O 3.23Å
1213S59.7Low77.3Confident98 Ų9860.3 Ų60.369%0.68533%0.327SS*.SBendtrans-80.7-1171.949.90000112.7
1214I72.8Confident77.4Confident121 Ų12160 Ų6062%0.62133%0.326SS*.SBendtrans-133.5154.5-174.6-54.7171.1000106.3T1212T1212-I1214 WeakPolarHBondContact CB-O 3.48Å; T1212-I1214 PolarHBondContact O-N 2.63Å; T1212-I1214 PolarHBondContact OG1-O 3.23Å
1215S80.2Confident77.2Confident54 Ų5460.6 Ų60.638%0.37833%0.328SS..PPolyproline II helixtrans-59.2136.1168.653.20000110.9
1216P83.8Confident76.7Confident2 Ų263.2 Ų63.21%0.01334%0.342CS..PPolyproline II helixtrans-59.5145.7177.826.9-36.1000111.1S1027 I1030 Y1073 E1220 I1221S1027-P1216 WeakPolarHBondContact CB-O 3.32Å; S1027-P1216 PolarHBondContact OG-O 3.48Å; I1030-P1216 HydrophobicContact CB-CG 4.21Å; I1030-P1216 HydrophobicContact CG2-CG 3.84Å; Y1073-P1216 HydrophobicContact CE1-CB 4.04Å; Y1073-P1216 HydrophobicContact CE1-CG 4.41Å; Y1073-P1216 WeakPolarHBondContact OH-CB 3.19Å; P1216-E1220 WeakPolarHBondContact CA-OE2 3.43Å; P1216-E1220 HydrophobicContact CB-CB 4.49Å; P1216-E1220 WeakPolarHBondContact CB-OE2 3.3Å; P1216-I1221 HydrophobicContact CB-CD1 3.98Å; P1216-I1221 HydrophobicContact CB-CG1 4.41Å; P1216-I1221 HydrophobicContact CG-CD1 3.73Å; P1216-I1221 HydrophobicContact CG-CG1 4.32Å
1217S85.2Confident77.1Confident51 Ų5161.5 Ų61.536%0.35733%0.332SS..PPolyproline II helixtrans-74.2163.6-173.9950000112.3E1219 E1220 I1221S1217-E1219 WeakPolarHBondContact CB-OE2 3.48Å; S1217-E1219 PolarHBondContact O-N 2.98Å; S1217-E1219 PolarHBondContact OG-N 3.47Å; S1217-E1219 PolarHBondContact OG-OE2 2.98Å; S1217-E1220 PolarHBondContact N-OE2 3.12Å; S1217-E1220 WeakPolarHBondContact O-CB 3.49Å; S1217-E1220 PolarHBondContact O-N 3.12Å; S1217-E1220 PolarHBondContact OG-N 3.17Å; S1217-E1220 VanDerWaalsContact OG-N 3.08Å; S1217-I1221 WeakPolarHBondContact O-CG1 3.47Å; S1217-I1221 PolarHBondContact O-N 3.29Å
1218I85.4Confident77.6Confident75 Ų7559 Ų5939%0.38532%0.317SS..Hα-helixtrans-59.7-41.9177.1-70167.6000110.1P1023 D1024 I1221 C1222P1023-I1218 HydrophobicContact CB-CG2 3.88Å; D1024-I1218 WeakPolarHBondContact OD1-CD1 3.47Å; I1218-I1221 PolarHBondContact O-N 3.24Å; I1218-C1222 PolarHBondContact O-N 2.87Å; I1218-C1222 PolarHBondContact O-SG 3.37Å
1219E78.7Confident77.4Confident130 Ų13058.9 Ų58.961%0.60731%0.311SS*.Hα-helixtrans-65.3-40.2177.4-51.970.4-15200111S1217 C1222 H1223S1217-E1219 WeakPolarHBondContact CB-OE2 3.48Å; S1217-E1219 PolarHBondContact O-N 2.98Å; S1217-E1219 PolarHBondContact OG-N 3.47Å; S1217-E1219 PolarHBondContact OG-OE2 2.98Å; E1219-C1222 PolarHBondContact O-N 2.5Å; E1219-H1223 VanDerWaalsContact O-CB 3.31Å; E1219-H1223 WeakPolarHBondContact O-CB 3.37Å; E1219-H1223 PolarHBondContact O-N 3.39Å
1220E80.3Confident76.8Confident61 Ų6158.5 Ų58.529%0.28531%0.305SS..Hα-helixtrans-63.6-46.1175.2-158-165147.800111.3Y1073 P1216 S1217 C1222 H1223 V1224Y1073-E1220 VanDerWaalsContact CE1-OE1 3.23Å; Y1073-E1220 WeakPolarHBondContact CE1-OE1 3.46Å; Y1073-E1220 WeakPolarHBondContact OH-CG 3.41Å; Y1073-E1220 PolarHBondContact OH-OE1 2.92Å; P1216-E1220 WeakPolarHBondContact CA-OE2 3.43Å; P1216-E1220 HydrophobicContact CB-CB 4.49Å; P1216-E1220 WeakPolarHBondContact CB-OE2 3.3Å; S1217-E1220 PolarHBondContact N-OE2 3.12Å; S1217-E1220 WeakPolarHBondContact O-CB 3.49Å; S1217-E1220 PolarHBondContact O-N 3.12Å; S1217-E1220 PolarHBondContact OG-N 3.17Å; S1217-E1220 VanDerWaalsContact OG-N 3.08Å; E1220-C1222 PolarHBondContact O-N 3.25Å; E1220-H1223 PolarHBondContact O-N 3.2Å; E1220-V1224 WeakPolarHBondContact O-CB 3.43Å; E1220-V1224 VanDerWaalsContact O-CG2 3.3Å; E1220-V1224 WeakPolarHBondContact O-CG2 3.11Å; E1220-V1224 PolarHBondContact O-N 3.41Å
1221I86.9Confident76.1Confident5 Ų556.2 Ų56.23%0.02630%0.297CS..Hα-helixtrans-62.5-41.5176.7-65.3-54.3000111.7P1023 I1030 V1069 Y1073 P1216 S1217 I1218 K1225P1023-I1221 HydrophobicContact CB-CG2 4.22Å; I1030-I1221 HydrophobicContact CD1-CD1 3.36Å; V1069-I1221 HydrophobicContact CG1-CD1 4.34Å; Y1073-I1221 HydrophobicContact CE2-CD1 3.92Å; P1216-I1221 HydrophobicContact CB-CD1 3.98Å; P1216-I1221 HydrophobicContact CB-CG1 4.41Å; P1216-I1221 HydrophobicContact CG-CD1 3.73Å; P1216-I1221 HydrophobicContact CG-CG1 4.32Å; S1217-I1221 WeakPolarHBondContact O-CG1 3.47Å; S1217-I1221 PolarHBondContact O-N 3.29Å; I1218-I1221 PolarHBondContact O-N 3.24Å; I1221-K1225 VanDerWaalsContact O-CB 3.3Å; I1221-K1225 WeakPolarHBondContact O-CB 3.17Å; I1221-K1225 PolarHBondContact O-N 2.75Å
1222C81.5Confident76.5Confident44 Ų4446.5 Ų46.530%0.29726%0.255SS..Hα-helixtrans-65-46.3174.2-68.70000111.6P1023 I1218 E1219 E1220 V1224 K1225 D1226P1023-C1222 VanDerWaalsContact CG-SG 3.59Å; I1218-C1222 PolarHBondContact O-N 2.87Å; I1218-C1222 PolarHBondContact O-SG 3.37Å; E1219-C1222 PolarHBondContact O-N 2.5Å; E1220-C1222 PolarHBondContact O-N 3.25Å; C1222-V1224 VanDerWaalsContact C-N 3.35Å; C1222-V1224 PolarHBondContact O-N 2.88Å; C1222-K1225 WeakPolarHBondContact O-CB 3.35Å; C1222-K1225 PolarHBondContact O-N 3.34Å; C1222-K1225 VanDerWaalsContact O-N 3.16Å; C1222-D1226 VanDerWaalsContact O-CG 3.31Å; C1222-D1226 PolarHBondContact O-N 3.22Å
1223H74.9Confident77.4Confident85 Ų8544.2 Ų44.239%0.39424%0.241SC..Hα-helixtrans-61.9-42.1179.1-176.936.8000112.2E1219 E1220 D1226 F1227E1219-H1223 VanDerWaalsContact O-CB 3.31Å; E1219-H1223 WeakPolarHBondContact O-CB 3.37Å; E1219-H1223 PolarHBondContact O-N 3.39Å; E1220-H1223 PolarHBondContact O-N 3.2Å; H1223-D1226 PolarHBondContact O-N 3.46Å; H1223-F1227 VanDerWaalsContact O-CB 3.23Å; H1223-F1227 WeakPolarHBondContact O-CB 3.38Å; H1223-F1227 PolarHBondContact O-N 3.03Å
1224V82.1Confident78.6Confident2 Ų239.5 Ų39.51%0.01221%0.208CC..Hα-helixtrans-61.3-48.5173.1172.30000110.5V1069 Y1072 Y1073 E1220 C1222 D1226 F1227 L1228V1069-V1224 HydrophobicContact CG1-CG1 3.98Å; V1069-V1224 HydrophobicContact CG2-CG1 4.34Å; Y1072-V1224 HydrophobicContact CD1-CB 4.48Å; Y1072-V1224 HydrophobicContact CD1-CG1 3.86Å; Y1072-V1224 HydrophobicContact CD1-CG2 3.69Å; Y1072-V1224 HydrophobicContact CD2-CG1 3.75Å; Y1072-V1224 HydrophobicContact CD2-CG2 4.18Å; Y1072-V1224 HydrophobicContact CE1-CG1 4.4Å; Y1072-V1224 HydrophobicContact CE1-CG2 3.42Å; Y1072-V1224 VanDerWaalsContact CE1-CG2 3.42Å; Y1072-V1224 HydrophobicContact CE2-CG1 4.33Å; Y1072-V1224 HydrophobicContact CE2-CG2 3.97Å; Y1072-V1224 HydrophobicContact CG-CB 4.49Å; Y1072-V1224 HydrophobicContact CG-CG1 3.52Å; Y1072-V1224 HydrophobicContact CG-CG2 4.08Å; Y1073-V1224 HydrophobicContact CE2-CG2 4.34Å; E1220-V1224 WeakPolarHBondContact O-CB 3.43Å; E1220-V1224 VanDerWaalsContact O-CG2 3.3Å; E1220-V1224 WeakPolarHBondContact O-CG2 3.11Å; E1220-V1224 PolarHBondContact O-N 3.41Å; C1222-V1224 VanDerWaalsContact C-N 3.35Å; C1222-V1224 PolarHBondContact O-N 2.88Å; V1224-D1226 VanDerWaalsContact C-N 3.3Å; V1224-D1226 PolarHBondContact O-N 3.05Å; V1224-F1227 CarbonylContact O-C 3.59Å; V1224-F1227 PolarHBondContact O-N 3.49Å; V1224-L1228 HydrophobicContact CG1-CD2 4.29Å; V1224-L1228 WeakPolarHBondContact O-CG 3.45Å; V1224-L1228 PolarHBondContact O-N 2.99Å
1225K81.4Confident78.9Confident15 Ų1533.9 Ų33.97%0.06518%0.179CC..Hα-helixtrans-52.8-46.3178.3-174.4-164.4-179104.40111.8W922 N1062 I1221 C1222 F1227W922-K1225 HydrophobicContact CD2-CD 3.85Å; W922-K1225 HydrophobicContact CE3-CD 3.39Å; W922-K1225 VanDerWaalsContact CG-CE 3.49Å; W922-K1225 HydrophobicContact CH2-CB 4.33Å; W922-K1225 HydrophobicContact CH2-CD 2.66Å; W922-K1225 HydrophobicContact CH2-CG 3.27Å; W922-K1225 HydrophobicContact CZ2-CD 3.21Å; W922-K1225 HydrophobicContact CZ2-CG 3.37Å; W922-K1225 HydrophobicContact CZ3-CD 2.76Å; W922-K1225 HydrophobicContact CZ3-CG 4.04Å; N1062-K1225 PolarHBondContact OD1-NZ 3.4Å; I1221-K1225 VanDerWaalsContact O-CB 3.3Å; I1221-K1225 WeakPolarHBondContact O-CB 3.17Å; I1221-K1225 PolarHBondContact O-N 2.75Å; C1222-K1225 WeakPolarHBondContact O-CB 3.35Å; C1222-K1225 PolarHBondContact O-N 3.34Å; C1222-K1225 VanDerWaalsContact O-N 3.16Å; K1225-F1227 VanDerWaalsContact C-N 3.33Å
1226D71.4Confident78.9Confident100 Ų10031.3 Ų31.354%0.53516%0.161SC..Hα-helixtrans-70.9-29179.5-63.2-18.1000112.6C1222 H1223 V1224 K1230C1222-D1226 VanDerWaalsContact O-CG 3.31Å; C1222-D1226 PolarHBondContact O-N 3.22Å; H1223-D1226 PolarHBondContact O-N 3.46Å; V1224-D1226 VanDerWaalsContact C-N 3.3Å; V1224-D1226 PolarHBondContact O-N 3.05Å; D1226-K1230 WeakPolarHBondContact O-CD 3.38Å; D1226-K1230 WeakPolarHBondContact O-CE 3.4Å; D1226-K1230 WeakPolarHBondContact O-CG 3.43Å
1227F75.3Confident78.9Confident17 Ų1732.7 Ų32.78%0.07517%0.171CC..Hα-helixtrans-80.8-23.9178.9-175.6-121000113.9Y1072 W1200 H1223 V1224 K1225 L1229 K1230 C1232 E1294Y1072-F1227 HydrophobicContact CE2-CD1 4.19Å; Y1072-F1227 HydrophobicContact CE2-CE1 4.36Å; W1200-F1227 AromaticContact CH2-CD1 3.83Å; W1200-F1227 HydrophobicContact CH2-CD1 3.83Å; W1200-F1227 AromaticContact CH2-CE1 3.76Å; W1200-F1227 HydrophobicContact CH2-CE1 3.76Å; W1200-F1227 HydrophobicContact CZ2-CD1 4.19Å; W1200-F1227 HydrophobicContact CZ2-CE1 4.36Å; H1223-F1227 VanDerWaalsContact O-CB 3.23Å; H1223-F1227 WeakPolarHBondContact O-CB 3.38Å; H1223-F1227 PolarHBondContact O-N 3.03Å; V1224-F1227 CarbonylContact O-C 3.59Å; V1224-F1227 PolarHBondContact O-N 3.49Å; K1225-F1227 VanDerWaalsContact C-N 3.33Å; F1227-L1229 PolarHBondContact O-N 2.97Å; F1227-L1229 VanDerWaalsContact O-N 3.11Å; F1227-K1230 HydrophobicContact CD2-CB 4.28Å; F1227-K1230 PolarHBondContact O-N 3.35Å; F1227-C1232 HydrophobicContact CE1-CB 4.46Å; F1227-C1232 HydrophobicContact CE2-CB 3.7Å; F1227-C1232 HydrophobicContact CZ-CB 3.44Å; F1227-C1232 VanDerWaalsContact CZ-CB 3.44Å; F1227-E1294 HydrophobicContact CE2-CB 4.23Å; F1227-E1294 HydrophobicContact CZ-CG 4.42Å
1228L80.8Confident79.1Confident1 Ų131 Ų311%0.00516%0.158CC..THydrogen-bonded Turntrans-54.6-35.1-175.2-75.1179.5000114.9C1068 V1069 F1193 W1200 V1224C1068-L1228 HydrophobicContact CB-CD1 3.47Å; C1068-L1228 VanDerWaalsContact CB-CD1 3.47Å; C1068-L1228 HydrophobicContact CB-CD2 3.87Å; C1068-L1228 HydrophobicContact CB-CG 4.19Å; V1069-L1228 HydrophobicContact CG2-CD1 3.66Å; F1193-L1228 HydrophobicContact CD1-CD1 4.2Å; F1193-L1228 HydrophobicContact CE1-CB 4.2Å; F1193-L1228 HydrophobicContact CE1-CD1 3.93Å; W1200-L1228 HydrophobicContact CD2-CD2 3.99Å; W1200-L1228 HydrophobicContact CG-CD2 4.31Å; W1200-L1228 HydrophobicContact CZ2-CD2 4.03Å; W1200-L1228 PolarHBondContact NE1-O 3.18Å; V1224-L1228 HydrophobicContact CG1-CD2 4.29Å; V1224-L1228 WeakPolarHBondContact O-CG 3.45Å; V1224-L1228 PolarHBondContact O-N 2.99Å
1229L77.2Confident79.2Confident17 Ų1731.4 Ų31.49%0.08916%0.161CC..THydrogen-bonded Turntrans-103.52.7-178.6-61176000113.1P1188 H1192 F1193 V1196 F1227 P1231P1188-L1229 HydrophobicContact CB-CD1 3.25Å; P1188-L1229 HydrophobicContact CG-CD1 4.13Å; H1192-L1229 HydrophobicContact CB-CD1 4.19Å; H1192-L1229 HydrophobicContact CB-CD2 4.11Å; H1192-L1229 WeakPolarHBondContact O-CD2 3.29Å; F1193-L1229 HydrophobicContact CD1-CD1 4.2Å; F1193-L1229 HydrophobicContact CD1-CD2 4.01Å; F1193-L1229 HydrophobicContact CD1-CG 4.1Å; F1193-L1229 HydrophobicContact CD2-CD1 4.48Å; F1193-L1229 HydrophobicContact CE1-CD1 3.76Å; F1193-L1229 HydrophobicContact CE1-CD2 4.27Å; F1193-L1229 HydrophobicContact CE1-CG 3.82Å; F1193-L1229 HydrophobicContact CE2-CD1 4.06Å; F1193-L1229 HydrophobicContact CG-CD2 4.43Å; F1193-L1229 HydrophobicContact CZ-CD1 3.68Å; F1193-L1229 HydrophobicContact CZ-CG 4.27Å; V1196-L1229 HydrophobicContact CB-CD2 4.47Å; V1196-L1229 HydrophobicContact CG1-CD2 3.93Å; V1196-L1229 HydrophobicContact CG2-CD2 3.66Å; F1227-L1229 PolarHBondContact O-N 2.97Å; F1227-L1229 VanDerWaalsContact O-N 3.11Å; L1229-P1231 WeakPolarHBondContact O-CD 3.25Å
1230K70.7Confident79.2Confident47 Ų4726.2 Ų26.220%0.20414%0.137CC..SBendtrans-93.3110174.5-71.4175.1179.7-89.50108D1226 F1227 C1232 E1298 Y1397D1226-K1230 WeakPolarHBondContact O-CD 3.38Å; D1226-K1230 WeakPolarHBondContact O-CE 3.4Å; D1226-K1230 WeakPolarHBondContact O-CG 3.43Å; F1227-K1230 HydrophobicContact CD2-CB 4.28Å; F1227-K1230 PolarHBondContact O-N 3.35Å; K1230-C1232 PolarHBondContact O-N 3.19Å; K1230-E1298 HydrophobicContact CB-CG 4.46Å; K1230-E1298 VanDerWaalsContact CB-OE1 3.26Å; K1230-E1298 WeakPolarHBondContact CB-OE1 3.27Å; K1230-E1298 HydrophobicContact CD-CG 4.28Å; K1230-E1298 VanDerWaalsContact CD-OE2 3.29Å; K1230-E1298 WeakPolarHBondContact CD-OE2 3.34Å; K1230-E1298 WeakPolarHBondContact CE-OE2 3.38Å; K1230-E1298 WeakPolarHBondContact CG-OE1 3.3Å; K1230-E1298 WeakPolarHBondContact CG-OE2 3.17Å; K1230-E1298 IonicContact NZ-OE2 2.69Å; K1230-E1298 PolarHBondContact NZ-OE2 2.91Å; K1230-Y1397 PolarHBondContact NZ-OH 3.06Å
1231P65.3Low79.3Confident1 Ų123.3 Ų23.31%0.00612%0.123CC..  trans-59.7132.1170.229.1-36.6000110L1182 L1229 E1240 I1244 R1301L1182-P1231 HydrophobicContact CD2-CG 4.11Å; L1229-P1231 WeakPolarHBondContact O-CD 3.25Å; P1231-E1240 WeakPolarHBondContact CB-OE1 3.15Å; P1231-I1244 HydrophobicContact CB-CD1 3.48Å; P1231-I1244 VanDerWaalsContact CB-CD1 3.48Å; P1231-I1244 HydrophobicContact CG-CD1 3.56Å; P1231-I1244 HydrophobicContact CG-CG1 4.45Å; P1231-R1301 VanDerWaalsContact CD-CZ 3.49Å
1232C71.6Confident79.2Confident2 Ų224.5 Ų24.51%0.01413%0.129CC..  trans-104.3-178.4-167.8480000111.6R1199 R1203 F1227 K1230 F1234 S1236R1199-C1232 PolarHBondContact NH2-SG 3.49Å; R1203-C1232 PolarHBondContact NH1-SG 3.44Å; F1227-C1232 HydrophobicContact CE1-CB 4.46Å; F1227-C1232 HydrophobicContact CE2-CB 3.7Å; F1227-C1232 HydrophobicContact CZ-CB 3.44Å; F1227-C1232 VanDerWaalsContact CZ-CB 3.44Å; K1230-C1232 PolarHBondContact O-N 3.19Å; C1232-F1234 PolarHBondContact SG-O 2.98Å; C1232-S1236 VanDerWaalsContact C-OG 3.29Å; C1232-S1236 PolarHBondContact O-OG 2.94Å; C1232-S1236 PolarHBondContact SG-OG 2.8Å
1233V80.7Confident79.1Confident0 Ų026.8 Ų26.80%014%0.135CC..SBendtrans-94.2-51.8174.1-172.90000111.5M1241 I1257 E1294 F1297 W1452V1233-M1241 HydrophobicContact CG1-SD 3.87Å; V1233-I1257 HydrophobicContact CB-CD1 4.36Å; V1233-I1257 HydrophobicContact CG1-CB 3.68Å; V1233-I1257 HydrophobicContact CG1-CD1 3.39Å; V1233-I1257 HydrophobicContact CG1-CG1 4.08Å; V1233-I1257 HydrophobicContact CG1-CG2 3.44Å; V1233-I1257 VanDerWaalsContact CG1-CG2 3.44Å; V1233-E1294 HydrophobicContact CB-CG 4.49Å; V1233-F1297 HydrophobicContact CG2-CB 3.18Å; V1233-F1297 HydrophobicContact CG2-CD1 3.63Å; V1233-F1297 HydrophobicContact CG2-CD2 3.63Å; V1233-F1297 HydrophobicContact CG2-CE1 4.36Å; V1233-F1297 HydrophobicContact CG2-CE2 4.39Å; V1233-F1297 HydrophobicContact CG2-CG 3.21Å; V1233-W1452 PolarHBondContact O-NE1 3.38Å
1234F85.5Confident78.8Confident0 Ų022.9 Ų22.90%012%0.117CC..THydrogen-bonded Turntrans-77.1139.4173.4-54.7-102.7000107.4R1203 C1232 S1236 I1257 R1290 L1293 E1294 L1448 L1451 W1452 E1455R1203-F1234 VanDerWaalsContact CZ-O 3.28Å; R1203-F1234 PolarHBondContact NH1-O 3.17Å; R1203-F1234 VanDerWaalsContact NH1-O 3.17Å; R1203-F1234 PolarHBondContact NH2-O 2.92Å; C1232-F1234 PolarHBondContact SG-O 2.98Å; F1234-S1236 VanDerWaalsContact C-N 3.32Å; F1234-S1236 PolarHBondContact O-N 3.48Å; F1234-I1257 HydrophobicContact CE1-CD1 4.39Å; F1234-I1257 HydrophobicContact CE2-CD1 3.89Å; F1234-I1257 HydrophobicContact CZ-CD1 3.71Å; F1234-R1290 HydrophobicContact CD1-CG 4.26Å; F1234-R1290 HydrophobicContact CD2-CG 3.75Å; F1234-R1290 HydrophobicContact CE1-CG 4.1Å; F1234-R1290 HydrophobicContact CE2-CB 4.18Å; F1234-R1290 HydrophobicContact CE2-CG 3.57Å; F1234-R1290 HydrophobicContact CG-CG 4.12Å; F1234-R1290 HydrophobicContact CZ-CB 4.08Å; F1234-R1290 HydrophobicContact CZ-CG 3.77Å; F1234-L1293 HydrophobicContact CE2-CB 4.27Å; F1234-L1293 HydrophobicContact CZ-CD1 4.32Å; F1234-E1294 HydrophobicContact CD2-CG 3.71Å; F1234-E1294 WeakPolarHBondContact CD2-OE1 3.36Å; F1234-E1294 HydrophobicContact CE2-CG 4.18Å; F1234-L1448 HydrophobicContact CZ-CD2 4.22Å; F1234-L1451 HydrophobicContact CD1-CB 4.46Å; F1234-L1451 HydrophobicContact CD1-CD2 3.96Å; F1234-L1451 HydrophobicContact CD1-CG 3.95Å; F1234-L1451 HydrophobicContact CE1-CB 4.26Å; F1234-L1451 HydrophobicContact CE1-CD2 3.84Å; F1234-L1451 HydrophobicContact CE1-CG 4.09Å; F1234-W1452 HydrophobicContact CD1-CB 3.86Å; F1234-W1452 HydrophobicContact CE1-CB 3.79Å; F1234-E1455 HydrophobicContact CB-CB 4.27Å
1235G78.1Confident78.6Confident2 Ų222.8 Ų22.82%0.02112%0.117CC..THydrogen-bonded Turntrans73.115.7175.100000117E1455G1235-E1455 VanDerWaalsContact CA-O 3.25Å; G1235-E1455 WeakPolarHBondContact CA-O 3.5Å
1236S79.3Confident78.2Confident0 Ų024.1 Ų24.10%013%0.131CC..SBendtrans-94.9169166.6-58.50000110.4R1199 C1232 F1234 E1240 S1457R1199-S1236 PolarHBondContact NH2-OG 3.3Å; C1232-S1236 VanDerWaalsContact C-OG 3.29Å; C1232-S1236 PolarHBondContact O-OG 2.94Å; C1232-S1236 PolarHBondContact SG-OG 2.8Å; F1234-S1236 VanDerWaalsContact C-N 3.32Å; F1234-S1236 PolarHBondContact O-N 3.48Å; S1236-E1240 WeakPolarHBondContact CA-OE2 3.4Å; S1236-E1240 VanDerWaalsContact CB-OE2 3.27Å; S1236-E1240 WeakPolarHBondContact CB-OE2 3.5Å; S1236-S1457 PolarHBondContact O-N 3.21Å; S1236-S1457 PolarHBondContact O-OG 3.11Å
1237S85Confident77.9Confident32 Ų3223.7 Ų23.722%0.22412%0.122CC..  trans-73.6163.9160.964.60000110.1D1239 E1240 M1241 S1457S1237-D1239 VanDerWaalsContact C-N 3.31Å; S1237-E1240 PolarHBondContact N-OE2 3.33Å; S1237-E1240 WeakPolarHBondContact OG-CB 3.37Å; S1237-E1240 PolarHBondContact OG-N 3Å; S1237-M1241 PolarHBondContact O-N 3.39Å; S1237-S1457 VanDerWaalsContact CA-OG 3.22Å; S1237-S1457 WeakPolarHBondContact CA-OG 3.5Å; S1237-S1457 WeakPolarHBondContact CB-OG 3.33Å; S1237-S1457 PolarHBondContact N-OG 3.4Å
1238L89.9Confident77.3Confident14 Ų1423.3 Ų23.37%0.07312%0.12CC..Hα-helixtrans-62.4-45.4170.2-63.8175.9000109.5E1240 M1241 M1242 P1255 W1452 L1456 L1460 L1512 P1513L1238-E1240 PolarHBondContact O-N 3.33Å; L1238-M1241 HydrophobicContact CD2-CE 4.14Å; L1238-M1241 WeakPolarHBondContact O-CB 3.48Å; L1238-M1241 PolarHBondContact O-N 2.87Å; L1238-M1241 VanDerWaalsContact O-N 3.14Å; L1238-M1242 VanDerWaalsContact O-CG 3.32Å; L1238-M1242 WeakPolarHBondContact O-CG 3.45Å; L1238-M1242 PolarHBondContact O-N 2.95Å; L1238-P1255 HydrophobicContact CD2-CG 3.85Å; L1238-W1452 HydrophobicContact CD2-CH2 4.02Å; L1238-W1452 HydrophobicContact CD2-CZ2 3.78Å; L1238-L1456 HydrophobicContact CD2-CD1 4.09Å; L1238-L1456 HydrophobicContact CD2-CD2 3.8Å; L1238-L1456 HydrophobicContact CG-CD2 4.46Å; L1238-L1460 HydrophobicContact CD1-CD1 3.96Å; L1238-L1512 HydrophobicContact CB-CD2 3.66Å; L1238-L1512 HydrophobicContact CB-CG 3.92Å; L1238-L1512 HydrophobicContact CD1-CG 4.35Å; L1238-P1513 HydrophobicContact CD1-CB 4.37Å; L1238-P1513 HydrophobicContact CD1-CG 4.09Å
1239D85.9Confident76.8Confident85 Ų8524.1 Ų24.146%0.45512%0.124SC..Hα-helixtrans-60.9-42.8-176.2-42.8-95000112.7S1237 M1241 M1242 Q1243S1237-D1239 VanDerWaalsContact C-N 3.31Å; D1239-M1241 VanDerWaalsContact C-N 3.35Å; D1239-M1241 PolarHBondContact O-N 3.49Å; D1239-M1242 PolarHBondContact O-N 3.48Å; D1239-Q1243 VanDerWaalsContact O-CG 3.26Å; D1239-Q1243 WeakPolarHBondContact O-CG 3.26Å; D1239-Q1243 PolarHBondContact O-N 3.36Å
1240E79Confident76.6Confident20 Ų2026 Ų269%0.09314%0.137CC..Hα-helixtrans-61.2-43.9175.1177.7-175.8-169.900111.4R1199 P1231 S1236 S1237 L1238 Q1243 I1244R1199-E1240 IonicContact CZ-OE1 3.92Å; R1199-E1240 IonicContact CZ-OE2 2.61Å; R1199-E1240 VanDerWaalsContact CZ-OE2 3.26Å; R1199-E1240 IonicContact NE-OE1 3.38Å; R1199-E1240 IonicContact NE-OE2 2.81Å; R1199-E1240 IonicContact NH1-OE1 3.61Å; R1199-E1240 PolarHBondContact NH1-OE1 3.08Å; R1199-E1240 IonicContact NH1-OE2 3.73Å; R1199-E1240 IonicContact NH2-OE1 3.01Å; R1199-E1240 PolarHBondContact NH2-OE1 3.01Å; R1199-E1240 IonicContact NH2-OE2 3.76Å; R1199-E1240 PolarHBondContact NH2-OE2 3.32Å; P1231-E1240 WeakPolarHBondContact CB-OE1 3.15Å; S1236-E1240 WeakPolarHBondContact CA-OE2 3.4Å; S1236-E1240 VanDerWaalsContact CB-OE2 3.27Å; S1236-E1240 WeakPolarHBondContact CB-OE2 3.5Å; S1237-E1240 PolarHBondContact N-OE2 3.33Å; S1237-E1240 WeakPolarHBondContact OG-CB 3.37Å; S1237-E1240 PolarHBondContact OG-N 3Å; L1238-E1240 PolarHBondContact O-N 3.33Å; E1240-Q1243 PolarHBondContact O-N 3.21Å; E1240-I1244 HydrophobicContact CG-CD1 4Å; E1240-I1244 WeakPolarHBondContact O-CD1 3.43Å; E1240-I1244 VanDerWaalsContact O-CG1 3.29Å; E1240-I1244 WeakPolarHBondContact O-CG1 3.34Å; E1240-I1244 PolarHBondContact O-N 3.48Å
1241M82.9Confident77Confident0 Ų029.4 Ų29.40%015%0.153CC..Hα-helixtrans-69.4-36.3178171.2163.141.400112.4V1233 S1237 L1238 D1239 I1244 Q1245 P1255 I1257 F1297 W1452 L1456V1233-M1241 HydrophobicContact CG1-SD 3.87Å; S1237-M1241 PolarHBondContact O-N 3.39Å; L1238-M1241 HydrophobicContact CD2-CE 4.14Å; L1238-M1241 WeakPolarHBondContact O-CB 3.48Å; L1238-M1241 PolarHBondContact O-N 2.87Å; L1238-M1241 VanDerWaalsContact O-N 3.14Å; D1239-M1241 VanDerWaalsContact C-N 3.35Å; D1239-M1241 PolarHBondContact O-N 3.49Å; M1241-I1244 PolarHBondContact O-N 2.82Å; M1241-Q1245 WeakPolarHBondContact O-CG 3.46Å; M1241-Q1245 PolarHBondContact O-N 3Å; M1241-P1255 HydrophobicContact CE-CB 3.93Å; M1241-P1255 HydrophobicContact CE-CG 4.2Å; M1241-P1255 HydrophobicContact CG-CB 4.32Å; M1241-P1255 HydrophobicContact SD-CB 3.92Å; M1241-I1257 HydrophobicContact SD-CG2 3.91Å; M1241-F1297 HydrophobicContact CB-CZ 4.3Å; M1241-F1297 HydrophobicContact CG-CE2 3.99Å; M1241-F1297 HydrophobicContact CG-CZ 3.75Å; M1241-W1452 HydrophobicContact CE-CZ2 3.6Å; M1241-L1456 HydrophobicContact CE-CD2 4.29Å
1242M84.7Confident77.8Confident30 Ų3029.8 Ų29.815%0.14816%0.156CC..Hα-helixtrans-62.2-46.4171.5-65.3-47.5-65.900111L1238 D1239 I1244 Q1245 A1246 L1252 P1255 L1512L1238-M1242 VanDerWaalsContact O-CG 3.32Å; L1238-M1242 WeakPolarHBondContact O-CG 3.45Å; L1238-M1242 PolarHBondContact O-N 2.95Å; D1239-M1242 PolarHBondContact O-N 3.48Å; M1242-I1244 VanDerWaalsContact C-N 3.3Å; M1242-I1244 PolarHBondContact O-N 2.98Å; M1242-Q1245 VanDerWaalsContact CE-NE2 3.3Å; M1242-Q1245 PolarHBondContact O-N 3.2Å; M1242-A1246 WeakPolarHBondContact O-CB 3.35Å; M1242-A1246 PolarHBondContact O-N 3Å; M1242-L1252 WeakPolarHBondContact CE-O 3.45Å; M1242-P1255 HydrophobicContact SD-CG 4.12Å; M1242-L1512 HydrophobicContact CB-CD2 4.47Å; M1242-L1512 HydrophobicContact CG-CD1 3.71Å; M1242-L1512 HydrophobicContact CG-CD2 3.53Å; M1242-L1512 HydrophobicContact CG-CG 4.28Å; M1242-L1512 HydrophobicContact SD-CD1 3.97Å
1243Q78.6Confident78.5Confident92 Ų9235 Ų3543%0.4318%0.175SC..Hα-helixtrans-59.4-39177.3-73.1169.415.400112.6D1239 E1240D1239-Q1243 VanDerWaalsContact O-CG 3.26Å; D1239-Q1243 WeakPolarHBondContact O-CG 3.26Å; D1239-Q1243 PolarHBondContact O-N 3.36Å; E1240-Q1243 PolarHBondContact O-N 3.21Å
1244I69.9Low78.9Confident3 Ų335 Ų352%0.01518%0.175CC..Hα-helixtrans-72.7-47.3179-67.7158.6000111.8L1182 P1231 E1240 M1241 M1242 A1246 F1297 F1300 R1301L1182-I1244 HydrophobicContact CD1-CG1 3.89Å; L1182-I1244 HydrophobicContact CD2-CD1 4.27Å; L1182-I1244 HydrophobicContact CD2-CG1 3.74Å; P1231-I1244 HydrophobicContact CB-CD1 3.48Å; P1231-I1244 VanDerWaalsContact CB-CD1 3.48Å; P1231-I1244 HydrophobicContact CG-CD1 3.56Å; P1231-I1244 HydrophobicContact CG-CG1 4.45Å; E1240-I1244 HydrophobicContact CG-CD1 4Å; E1240-I1244 WeakPolarHBondContact O-CD1 3.43Å; E1240-I1244 VanDerWaalsContact O-CG1 3.29Å; E1240-I1244 WeakPolarHBondContact O-CG1 3.34Å; E1240-I1244 PolarHBondContact O-N 3.48Å; M1241-I1244 PolarHBondContact O-N 2.82Å; M1242-I1244 VanDerWaalsContact C-N 3.3Å; M1242-I1244 PolarHBondContact O-N 2.98Å; I1244-A1246 VanDerWaalsContact C-N 3.3Å; I1244-A1246 PolarHBondContact O-N 3.18Å; I1244-F1297 HydrophobicContact CB-CE1 3.92Å; I1244-F1297 HydrophobicContact CB-CZ 3.88Å; I1244-F1297 HydrophobicContact CD1-CE1 4.01Å; I1244-F1297 HydrophobicContact CG2-CD1 4.2Å; I1244-F1297 HydrophobicContact CG2-CE1 3.4Å; I1244-F1297 VanDerWaalsContact CG2-CE1 3.4Å; I1244-F1297 HydrophobicContact CG2-CZ 3.62Å; I1244-F1300 HydrophobicContact CG2-CB 4.42Å; I1244-R1301 HydrophobicContact CG2-CG 3.67Å
1245Q77.3Confident79.1Confident0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-71.2-27.1-177.580.5-179.728.900112.5M1241 M1242 Y1247 R1248 F1249 L1254 F1297M1241-Q1245 WeakPolarHBondContact O-CG 3.46Å; M1241-Q1245 PolarHBondContact O-N 3Å; M1242-Q1245 VanDerWaalsContact CE-NE2 3.3Å; M1242-Q1245 PolarHBondContact O-N 3.2Å; Q1245-Y1247 PolarHBondContact O-N 2.88Å; Q1245-Y1247 VanDerWaalsContact O-N 3.08Å; Q1245-R1248 PolarHBondContact O-N 3.01Å; Q1245-F1249 HydrophobicContact CB-CD2 4.43Å; Q1245-F1249 PolarHBondContact O-N 3.46Å; Q1245-L1254 PolarHBondContact NE2-O 3.06Å; Q1245-F1297 HydrophobicContact CB-CE2 4.34Å
1246A72.6Confident79.5Confident43 Ų4335.9 Ų35.936%0.35518%0.178SC..THydrogen-bonded Turntrans-59.5-21.7-177.200000113.5M1242 I1244 R1248 P1250M1242-A1246 WeakPolarHBondContact O-CB 3.35Å; M1242-A1246 PolarHBondContact O-N 3Å; I1244-A1246 VanDerWaalsContact C-N 3.3Å; I1244-A1246 PolarHBondContact O-N 3.18Å; A1246-R1248 VanDerWaalsContact C-N 3.27Å; A1246-R1248 PolarHBondContact O-N 2.88Å; A1246-P1250 VanDerWaalsContact O-CA 3.24Å; A1246-P1250 WeakPolarHBondContact O-CA 3.05Å; A1246-P1250 WeakPolarHBondContact O-CB 3.42Å; A1246-P1250 WeakPolarHBondContact O-CD 3.25Å
1247Y65.8Low79.9Confident92 Ų9235.9 Ų35.936%0.36118%0.178SC..THydrogen-bonded Turntrans-67.4-25.8172.7179.1-108.3000113.9Q1245 F1300 V1302 L1390Q1245-Y1247 PolarHBondContact O-N 2.88Å; Q1245-Y1247 VanDerWaalsContact O-N 3.08Å; Y1247-F1300 WeakPolarHBondContact CD1-O 3.35Å; Y1247-V1302 HydrophobicContact CE1-CB 4.3Å; Y1247-V1302 HydrophobicContact CE1-CG1 4.47Å; Y1247-V1302 WeakPolarHBondContact CE1-O 3.23Å; Y1247-V1302 PolarHBondContact OH-O 3.2Å; Y1247-L1390 HydrophobicContact CE1-CD2 3.51Å
1248R62.5Low80.2Confident9 Ų934.3 Ų34.33%0.03417%0.167CC..THydrogen-bonded Turntrans-118.5-17.5-174.6-160.859.6158.3120.313.1112.8Q1245 A1246 F1300 P1387 E1388Q1245-R1248 PolarHBondContact O-N 3.01Å; A1246-R1248 VanDerWaalsContact C-N 3.27Å; A1246-R1248 PolarHBondContact O-N 2.88Å; R1248-F1300 HydrophobicContact CB-CB 4.44Å; R1248-F1300 HydrophobicContact CB-CD1 4.4Å; R1248-F1300 HydrophobicContact CG-CD1 4.19Å; R1248-P1387 HydrophobicContact CG-CB 3.65Å; R1248-P1387 VanDerWaalsContact CZ-CB 3.48Å; R1248-P1387 PolarHBondContact NH1-O 3.3Å; R1248-P1387 WeakPolarHBondContact O-CA 3.44Å; R1248-E1388 VanDerWaalsContact NH1-C 3.28Å; R1248-E1388 PolarHBondContact NH1-O 2.64Å; R1248-E1388 PolarHBondContact O-N 3.46Å
1249F71.3Confident80Confident17 Ų1733.7 Ų33.78%0.07516%0.163CC..  trans-144.662.8178.8-50.9-71.1000111Q1245 H1251 L1252 W1256 F1300 I1385 P1387Q1245-F1249 HydrophobicContact CB-CD2 4.43Å; Q1245-F1249 PolarHBondContact O-N 3.46Å; F1249-H1251 PolarHBondContact O-N 2.92Å; F1249-H1251 VanDerWaalsContact O-N 3.16Å; F1249-L1252 HydrophobicContact CB-CB 4.19Å; F1249-L1252 HydrophobicContact CB-CD1 3.69Å; F1249-L1252 HydrophobicContact CB-CG 3.89Å; F1249-L1252 HydrophobicContact CD1-CD1 4.46Å; F1249-L1252 HydrophobicContact CD2-CD1 4.36Å; F1249-L1252 HydrophobicContact CG-CD1 3.95Å; F1249-L1252 PolarHBondContact O-N 3.27Å; F1249-L1252 VanDerWaalsContact O-N 3.13Å; F1249-W1256 AromaticContact CE2-CD1 3.99Å; F1249-W1256 HydrophobicContact CE2-CG 4.41Å; F1249-F1300 HydrophobicContact CE2-CD1 4.09Å; F1249-F1300 HydrophobicContact CE2-CD2 4.32Å; F1249-F1300 AromaticContact CE2-CE1 3.7Å; F1249-F1300 HydrophobicContact CE2-CE1 3.7Å; F1249-F1300 AromaticContact CE2-CE2 3.95Å; F1249-F1300 HydrophobicContact CE2-CE2 3.95Å; F1249-F1300 HydrophobicContact CE2-CG 4.42Å; F1249-F1300 AromaticContact CE2-CZ 3.64Å; F1249-F1300 HydrophobicContact CE2-CZ 3.64Å; F1249-F1300 HydrophobicContact CZ-CE1 4.13Å; F1249-F1300 HydrophobicContact CZ-CZ 4.22Å; F1249-I1385 HydrophobicContact CD1-CG2 3.46Å; F1249-I1385 VanDerWaalsContact CD1-CG2 3.46Å; F1249-I1385 HydrophobicContact CE1-CB 4.15Å; F1249-I1385 HydrophobicContact CE1-CG2 3.45Å; F1249-I1385 VanDerWaalsContact CE1-CG2 3.45Å; F1249-I1385 HydrophobicContact CZ-CG2 4.5Å; F1249-P1387 HydrophobicContact CD1-CB 4.31Å; F1249-P1387 HydrophobicContact CE1-CB 3.63Å; F1249-P1387 HydrophobicContact CZ-CB 4.03Å
1250P73Confident79.9Confident58 Ų5830.4 Ų30.438%0.37715%0.145SC..THydrogen-bonded Turntrans-60.2-27.8-174.723.2-33.7000113.9A1246 E1388A1246-P1250 VanDerWaalsContact O-CA 3.24Å; A1246-P1250 WeakPolarHBondContact O-CA 3.05Å; A1246-P1250 WeakPolarHBondContact O-CB 3.42Å; A1246-P1250 WeakPolarHBondContact O-CD 3.25Å; P1250-E1388 VanDerWaalsContact CG-OE2 3.32Å; P1250-E1388 WeakPolarHBondContact CG-OE2 3.3Å
1251H78.5Confident80.5Confident117 Ų11729.4 Ų29.454%0.54214%0.141SC..THydrogen-bonded Turntrans-78.9-17.7-179.6-47.7-59.3000113.9F1249 R1253 G1379 D1380F1249-H1251 PolarHBondContact O-N 2.92Å; F1249-H1251 VanDerWaalsContact O-N 3.16Å; H1251-R1253 PolarHBondContact O-N 2.67Å; H1251-G1379 WeakPolarHBondContact O-CA 3.44Å; H1251-D1380 WeakPolarHBondContact CB-O 3.44Å
1252L82.1Confident80.8Confident10 Ų1029.7 Ų29.75%0.05214%0.142CC..  trans-69.9118-179.5-78.7-175.9000110.6M1242 F1249 W1256 I1259 T1378 F1381M1242-L1252 WeakPolarHBondContact CE-O 3.45Å; F1249-L1252 HydrophobicContact CB-CB 4.19Å; F1249-L1252 HydrophobicContact CB-CD1 3.69Å; F1249-L1252 HydrophobicContact CB-CG 3.89Å; F1249-L1252 HydrophobicContact CD1-CD1 4.46Å; F1249-L1252 HydrophobicContact CD2-CD1 4.36Å; F1249-L1252 HydrophobicContact CG-CD1 3.95Å; F1249-L1252 PolarHBondContact O-N 3.27Å; F1249-L1252 VanDerWaalsContact O-N 3.13Å; L1252-W1256 HydrophobicContact CD1-CB 4.36Å; L1252-I1259 HydrophobicContact CD1-CD1 4.26Å; L1252-I1259 HydrophobicContact CD2-CD1 3.63Å; L1252-T1378 CarbonylContact C-O 3.55Å; L1252-T1378 WeakPolarHBondContact CA-O 3.46Å; L1252-F1381 HydrophobicContact CD2-CB 4.27Å; L1252-F1381 HydrophobicContact CD2-CD2 3.96Å; L1252-F1381 HydrophobicContact CD2-CG 4.13Å
1253R86.5Confident80.5Confident110 Ų11028.9 Ų28.942%0.41514%0.138SC..  trans-88.4-1.5174.3-57.3-171.6-170.8-157.17.7113.5H1251 T1378 R1515 E1594H1251-R1253 PolarHBondContact O-N 2.67Å; R1253-T1378 PolarHBondContact N-O 3.1Å; R1253-R1515 WeakPolarHBondContact O-CD 3.48Å; R1253-E1594 IonicContact NH1-OE2 3.79Å; R1253-E1594 PolarHBondContact NH1-OE2 3.33Å
1254L88.8Confident80.8Confident0 Ų024.5 Ų24.50%012%0.118CC..SBendtrans-128.2152.6178.9-86.9173.2000111.9Q1245 W1256 I1259 L1377 T1378 R1515 Y1519Q1245-L1254 PolarHBondContact NE2-O 3.06Å; L1254-W1256 PolarHBondContact O-N 3.32Å; L1254-I1259 HydrophobicContact CB-CD1 3.97Å; L1254-I1259 HydrophobicContact CB-CG1 4.13Å; L1254-L1377 HydrophobicContact CD1-CB 4.4Å; L1254-L1377 WeakPolarHBondContact CD1-O 3.44Å; L1254-L1377 WeakPolarHBondContact CG-O 3.32Å; L1254-T1378 HydrophobicContact CD1-CG2 4.15Å; L1254-R1515 HydrophobicContact CD1-CG 4.39Å; L1254-R1515 HydrophobicContact CD2-CB 4.35Å; L1254-R1515 HydrophobicContact CD2-CG 3.8Å; L1254-R1515 HydrophobicContact CG-CG 3.87Å; L1254-Y1519 HydrophobicContact CD1-CD1 3.94Å; L1254-Y1519 HydrophobicContact CD1-CD2 3.85Å; L1254-Y1519 HydrophobicContact CD1-CE2 4.48Å; L1254-Y1519 HydrophobicContact CD1-CG 3.55Å
1255P89.6Confident81.8Confident0 Ų024.3 Ų24.30%012%0.117CC..  trans-57.9127.1174.9-23.733.3000112.6L1238 M1241 M1242 I1257 Q1258 I1259 W1452L1238-P1255 HydrophobicContact CD2-CG 3.85Å; M1241-P1255 HydrophobicContact CE-CB 3.93Å; M1241-P1255 HydrophobicContact CE-CG 4.2Å; M1241-P1255 HydrophobicContact CG-CB 4.32Å; M1241-P1255 HydrophobicContact SD-CB 3.92Å; M1242-P1255 HydrophobicContact SD-CG 4.12Å; P1255-I1257 HydrophobicContact CB-CG2 4.45Å; P1255-I1257 PolarHBondContact O-N 3.08Å; P1255-Q1258 HydrophobicContact CB-CB 4.23Å; P1255-Q1258 WeakPolarHBondContact O-CB 3.47Å; P1255-Q1258 PolarHBondContact O-N 3.44Å; P1255-I1259 PolarHBondContact O-N 3.44Å; P1255-W1452 HydrophobicContact CB-CH2 4.29Å; P1255-W1452 HydrophobicContact CB-CZ2 3.9Å; P1255-W1452 HydrophobicContact CG-CH2 4.13Å; P1255-W1452 HydrophobicContact CG-CZ2 3.98Å
1256W86.1Confident82.2Confident21 Ų2126 Ų268%0.0813%0.125CC..Hα-helixtrans-52.9-40.6-179.6165.584.7000112.5F1249 L1252 L1254 Q1258 I1259 F1260 L1293 L1296 F1297 F1300F1249-W1256 AromaticContact CE2-CD1 3.99Å; F1249-W1256 HydrophobicContact CE2-CG 4.41Å; L1252-W1256 HydrophobicContact CD1-CB 4.36Å; L1254-W1256 PolarHBondContact O-N 3.32Å; W1256-Q1258 VanDerWaalsContact C-N 3.31Å; W1256-Q1258 PolarHBondContact O-N 3.39Å; W1256-I1259 PolarHBondContact O-N 2.71Å; W1256-F1260 HydrophobicContact CH2-CB 4.46Å; W1256-F1260 HydrophobicContact CH2-CD1 4.2Å; W1256-F1260 HydrophobicContact CH2-CG 4.19Å; W1256-F1260 HydrophobicContact CZ2-CB 4.05Å; W1256-F1260 HydrophobicContact CZ2-CD1 4.33Å; W1256-F1260 HydrophobicContact CZ2-CD2 4.06Å; W1256-F1260 AromaticContact CZ2-CG 3.88Å; W1256-F1260 HydrophobicContact CZ2-CG 3.88Å; W1256-F1260 VanDerWaalsContact O-CB 3.27Å; W1256-F1260 WeakPolarHBondContact O-CB 3.2Å; W1256-F1260 PolarHBondContact O-N 3.17Å; W1256-L1293 HydrophobicContact CH2-CD2 4Å; W1256-L1293 HydrophobicContact CZ3-CD2 4.4Å; W1256-L1296 HydrophobicContact CH2-CD2 3.5Å; W1256-L1296 HydrophobicContact CZ2-CD2 3.8Å; W1256-L1296 HydrophobicContact CZ3-CD2 4.4Å; W1256-F1297 HydrophobicContact CE3-CD2 4.26Å; W1256-F1300 AromaticContact CD2-CE2 3.76Å; W1256-F1300 HydrophobicContact CD2-CE2 3.76Å; W1256-F1300 AromaticContact CD2-CZ 3.99Å; W1256-F1300 HydrophobicContact CD2-CZ 3.99Å; W1256-F1300 AromaticContact CE3-CE2 3.81Å; W1256-F1300 HydrophobicContact CE3-CE2 3.81Å; W1256-F1300 HydrophobicContact CE3-CZ 4.3Å; W1256-F1300 HydrophobicContact CG-CE2 4.07Å; W1256-F1300 HydrophobicContact CG-CZ 4.38Å; W1256-F1300 HydrophobicContact CZ2-CZ 4.43Å; W1256-F1300 HydrophobicContact CZ3-CE2 4.39Å
1257I88.6Confident82.6Confident0 Ų026.9 Ų26.90%012%0.12CC..Hα-helixtrans-65.8-33.7178.4-171.8166.3000112.4V1233 F1234 M1241 P1255 L1261 L1293 W1452V1233-I1257 HydrophobicContact CB-CD1 4.36Å; V1233-I1257 HydrophobicContact CG1-CB 3.68Å; V1233-I1257 HydrophobicContact CG1-CD1 3.39Å; V1233-I1257 HydrophobicContact CG1-CG1 4.08Å; V1233-I1257 HydrophobicContact CG1-CG2 3.44Å; V1233-I1257 VanDerWaalsContact CG1-CG2 3.44Å; F1234-I1257 HydrophobicContact CE1-CD1 4.39Å; F1234-I1257 HydrophobicContact CE2-CD1 3.89Å; F1234-I1257 HydrophobicContact CZ-CD1 3.71Å; M1241-I1257 HydrophobicContact SD-CG2 3.91Å; P1255-I1257 HydrophobicContact CB-CG2 4.45Å; P1255-I1257 PolarHBondContact O-N 3.08Å; I1257-L1261 HydrophobicContact CD1-CD1 3.89Å; I1257-L1261 HydrophobicContact CG1-CD1 3.59Å; I1257-L1261 HydrophobicContact CG1-CG 3.85Å; I1257-L1261 VanDerWaalsContact O-CB 3.31Å; I1257-L1261 WeakPolarHBondContact O-CB 3.49Å; I1257-L1261 WeakPolarHBondContact O-CG 3.06Å; I1257-L1261 PolarHBondContact O-N 3.48Å; I1257-L1293 HydrophobicContact CD1-CD1 4.32Å; I1257-W1452 HydrophobicContact CD1-CG 4.48Å; I1257-W1452 HydrophobicContact CG2-CD2 4.02Å; I1257-W1452 HydrophobicContact CG2-CG 4.15Å; I1257-W1452 HydrophobicContact CG2-CZ2 4.11Å
1258Q91.2Very high83.6Confident0 Ų022.7 Ų22.70%010%0.104CC..Hα-helixtrans-68.9-44.4180-169.5-177.4300109.9P1255 W1256 T1262 L1449 W1452 S1516 Y1519P1255-Q1258 HydrophobicContact CB-CB 4.23Å; P1255-Q1258 WeakPolarHBondContact O-CB 3.47Å; P1255-Q1258 PolarHBondContact O-N 3.44Å; W1256-Q1258 VanDerWaalsContact C-N 3.31Å; W1256-Q1258 PolarHBondContact O-N 3.39Å; Q1258-T1262 WeakPolarHBondContact O-CB 3.26Å; Q1258-T1262 PolarHBondContact O-N 3.15Å; Q1258-T1262 PolarHBondContact O-OG1 3.31Å; Q1258-L1449 HydrophobicContact CG-CD1 4.31Å; Q1258-W1452 HydrophobicContact CB-CH2 3.75Å; Q1258-W1452 HydrophobicContact CB-CZ2 4.47Å; Q1258-W1452 HydrophobicContact CB-CZ3 3.78Å; Q1258-W1452 HydrophobicContact CG-CH2 4.03Å; Q1258-W1452 HydrophobicContact CG-CZ3 3.71Å; Q1258-S1516 PolarHBondContact NE2-O 3.14Å; Q1258-S1516 PolarHBondContact OE1-OG 3.36Å; Q1258-Y1519 HydrophobicContact CG-CD1 4.03Å; Q1258-Y1519 HydrophobicContact CG-CE1 4.31Å
1259I85.3Confident84.7Confident0 Ų026.2 Ų26.20%012%0.123CC..Hα-helixtrans-59.2-58.1172.5-59.8174000109.1L1252 L1254 P1255 W1256 L1261 T1262 E1263 T1378 F1381 W1383 Y1519L1252-I1259 HydrophobicContact CD1-CD1 4.26Å; L1252-I1259 HydrophobicContact CD2-CD1 3.63Å; L1254-I1259 HydrophobicContact CB-CD1 3.97Å; L1254-I1259 HydrophobicContact CB-CG1 4.13Å; P1255-I1259 PolarHBondContact O-N 3.44Å; W1256-I1259 PolarHBondContact O-N 2.71Å; I1259-L1261 PolarHBondContact O-N 2.92Å; I1259-T1262 PolarHBondContact O-N 3.47Å; I1259-E1263 HydrophobicContact CG2-CG 4.39Å; I1259-E1263 WeakPolarHBondContact CG2-OE2 3.4Å; I1259-E1263 WeakPolarHBondContact O-CB 3.37Å; I1259-E1263 WeakPolarHBondContact O-CG 3.34Å; I1259-E1263 PolarHBondContact O-N 2.87Å; I1259-T1378 HydrophobicContact CD1-CG2 4.05Å; I1259-T1378 HydrophobicContact CG1-CG2 4.36Å; I1259-F1381 HydrophobicContact CG2-CE2 4.21Å; I1259-F1381 HydrophobicContact CG2-CZ 4.45Å; I1259-W1383 HydrophobicContact CG2-CZ2 4.34Å; I1259-Y1519 HydrophobicContact CG1-CE1 4.37Å
1260F84.3Confident85.5Confident16 Ų1625.4 Ų25.47%0.0712%0.119CC..Hα-helixtrans-54.4-46.2-176.9175.3-100.6000113.4W1256 E1263 E1264 L1293 I1413W1256-F1260 HydrophobicContact CH2-CB 4.46Å; W1256-F1260 HydrophobicContact CH2-CD1 4.2Å; W1256-F1260 HydrophobicContact CH2-CG 4.19Å; W1256-F1260 HydrophobicContact CZ2-CB 4.05Å; W1256-F1260 HydrophobicContact CZ2-CD1 4.33Å; W1256-F1260 HydrophobicContact CZ2-CD2 4.06Å; W1256-F1260 AromaticContact CZ2-CG 3.88Å; W1256-F1260 HydrophobicContact CZ2-CG 3.88Å; W1256-F1260 VanDerWaalsContact O-CB 3.27Å; W1256-F1260 WeakPolarHBondContact O-CB 3.2Å; W1256-F1260 PolarHBondContact O-N 3.17Å; F1260-E1263 PolarHBondContact O-N 3.3Å; F1260-E1264 HydrophobicContact CD1-CG 4.45Å; F1260-E1264 HydrophobicContact CD2-CG 4.35Å; F1260-E1264 HydrophobicContact CE1-CG 4.04Å; F1260-E1264 HydrophobicContact CE2-CG 3.94Å; F1260-E1264 HydrophobicContact CZ-CG 3.76Å; F1260-E1264 WeakPolarHBondContact O-CG 3.32Å; F1260-E1264 PolarHBondContact O-N 2.72Å; F1260-L1293 HydrophobicContact CD1-CD2 4.32Å; F1260-L1293 HydrophobicContact CE1-CD2 3.92Å; F1260-I1413 HydrophobicContact CE1-CD1 4.32Å; F1260-I1413 HydrophobicContact CZ-CD1 4.21Å
1261L90.9Very high86.3Confident0 Ų023 Ų230%010%0.104CC..Hα-helixtrans-74.9-40.3-178.7-68.7-179.9000113I1257 I1259 E1263 E1264 I1265 L1293 L1448 L1449I1257-L1261 HydrophobicContact CD1-CD1 3.89Å; I1257-L1261 HydrophobicContact CG1-CD1 3.59Å; I1257-L1261 HydrophobicContact CG1-CG 3.85Å; I1257-L1261 VanDerWaalsContact O-CB 3.31Å; I1257-L1261 WeakPolarHBondContact O-CB 3.49Å; I1257-L1261 WeakPolarHBondContact O-CG 3.06Å; I1257-L1261 PolarHBondContact O-N 3.48Å; I1259-L1261 PolarHBondContact O-N 2.92Å; L1261-E1263 PolarHBondContact O-N 2.92Å; L1261-E1264 PolarHBondContact O-N 2.85Å; L1261-I1265 VanDerWaalsContact O-CG1 3.27Å; L1261-I1265 WeakPolarHBondContact O-CG1 3.22Å; L1261-I1265 PolarHBondContact O-N 3.39Å; L1261-L1293 HydrophobicContact CD2-CD1 4.43Å; L1261-L1448 HydrophobicContact CD1-CB 3.77Å; L1261-L1448 HydrophobicContact CD2-CB 4.05Å; L1261-L1448 HydrophobicContact CD2-CD1 4.26Å; L1261-L1449 HydrophobicContact CB-CB 4.18Å; L1261-L1449 HydrophobicContact CB-CD1 4.21Å; L1261-L1449 HydrophobicContact CD1-CB 4.15Å; L1261-L1449 HydrophobicContact CD1-CD1 4.44Å
1262T88.9Confident86.8Confident6 Ų621.8 Ų21.84%0.03710%0.095CC..Hα-helixtrans-53.8-41.8170.2-75.30000110.7Q1258 I1259 L1266 Y1519 L1523Q1258-T1262 WeakPolarHBondContact O-CB 3.26Å; Q1258-T1262 PolarHBondContact O-N 3.15Å; Q1258-T1262 PolarHBondContact O-OG1 3.31Å; I1259-T1262 PolarHBondContact O-N 3.47Å; T1262-L1266 HydrophobicContact CG2-CD1 4.31Å; T1262-L1266 WeakPolarHBondContact O-CG 3.34Å; T1262-L1266 PolarHBondContact O-N 3.08Å; T1262-Y1519 HydrophobicContact CG2-CE1 3.89Å; T1262-L1523 HydrophobicContact CG2-CB 4.35Å; T1262-L1523 HydrophobicContact CG2-CD1 4.23Å; T1262-L1523 HydrophobicContact CG2-CD2 4.07Å; T1262-L1523 HydrophobicContact CG2-CG 4.44Å
1263E79.7Confident87.4Confident12 Ų1221.3 Ų21.36%0.0569%0.093CC..Hα-helixtrans-76.3-35.7-179.2-70.1176.4146.500113.9I1259 F1260 L1261 I1265 L1266 R1267 R1331 W1337 W1383I1259-E1263 HydrophobicContact CG2-CG 4.39Å; I1259-E1263 WeakPolarHBondContact CG2-OE2 3.4Å; I1259-E1263 WeakPolarHBondContact O-CB 3.37Å; I1259-E1263 WeakPolarHBondContact O-CG 3.34Å; I1259-E1263 PolarHBondContact O-N 2.87Å; F1260-E1263 PolarHBondContact O-N 3.3Å; L1261-E1263 PolarHBondContact O-N 2.92Å; E1263-I1265 VanDerWaalsContact C-N 3.35Å; E1263-L1266 PolarHBondContact O-N 3.48Å; E1263-R1267 WeakPolarHBondContact O-CB 3.47Å; E1263-R1267 PolarHBondContact O-N 3.14Å; E1263-R1331 IonicContact OE2-CZ 2.7Å; E1263-R1331 IonicContact OE2-NH1 2.62Å; E1263-R1331 PolarHBondContact OE2-NH1 2.81Å; E1263-R1331 IonicContact OE2-NH2 2.67Å; E1263-W1337 HydrophobicContact CB-CH2 4.14Å; E1263-W1337 HydrophobicContact CB-CZ3 3.73Å; E1263-W1337 HydrophobicContact CG-CH2 3.99Å; E1263-W1337 HydrophobicContact CG-CZ3 3.72Å; E1263-W1383 WeakPolarHBondContact OE1-CZ2 3.41Å; E1263-W1383 PolarHBondContact OE1-NE1 2.94Å; E1263-W1383 WeakPolarHBondContact OE2-CH2 3.08Å; E1263-W1383 WeakPolarHBondContact OE2-CZ2 3.43Å
1264E85Confident87.7Confident0 Ų022 Ų220%010%0.1CC..Hα-helixtrans-66.7-36.8172.2-70.4-64.7113.500111.3F1260 L1261 L1266 R1267 L1268 R1331 L1410 A1445F1260-E1264 HydrophobicContact CD1-CG 4.45Å; F1260-E1264 HydrophobicContact CD2-CG 4.35Å; F1260-E1264 HydrophobicContact CE1-CG 4.04Å; F1260-E1264 HydrophobicContact CE2-CG 3.94Å; F1260-E1264 HydrophobicContact CZ-CG 3.76Å; F1260-E1264 WeakPolarHBondContact O-CG 3.32Å; F1260-E1264 PolarHBondContact O-N 2.72Å; L1261-E1264 PolarHBondContact O-N 2.85Å; E1264-L1266 PolarHBondContact O-N 3Å; E1264-R1267 VanDerWaalsContact CD-NE 3.31Å; E1264-R1267 IonicContact OE1-CZ 3.62Å; E1264-R1267 IonicContact OE1-NE 2.75Å; E1264-R1267 PolarHBondContact OE1-NE 3.37Å; E1264-R1267 IonicContact OE1-NH2 3.84Å; E1264-R1267 IonicContact OE2-CZ 2.65Å; E1264-R1267 VanDerWaalsContact OE2-CZ 3.31Å; E1264-R1267 IonicContact OE2-NE 3.01Å; E1264-R1267 PolarHBondContact OE2-NE 2.94Å; E1264-R1267 VanDerWaalsContact OE2-NE 3.1Å; E1264-R1267 IonicContact OE2-NH2 3.94Å; E1264-R1267 PolarHBondContact OE2-NH2 3.21Å; E1264-L1268 WeakPolarHBondContact O-CB 3.24Å; E1264-L1268 VanDerWaalsContact O-CD1 3.3Å; E1264-L1268 WeakPolarHBondContact O-CD1 3.37Å; E1264-L1268 WeakPolarHBondContact O-CG 3.36Å; E1264-L1268 PolarHBondContact O-N 3.16Å; E1264-R1331 IonicContact OE1-CZ 3.15Å; E1264-R1331 IonicContact OE1-NE 2.76Å; E1264-R1331 PolarHBondContact OE1-NE 2.97Å; E1264-R1331 IonicContact OE1-NH2 2.77Å; E1264-R1331 PolarHBondContact OE1-NH2 3.01Å; E1264-L1410 HydrophobicContact CB-CB 4.29Å; E1264-L1410 HydrophobicContact CG-CB 4.05Å; E1264-L1410 VanDerWaalsContact OE2-CB 3.3Å; E1264-L1410 WeakPolarHBondContact OE2-CB 3.45Å; E1264-L1410 PolarHBondContact OE2-N 3.13Å; E1264-A1445 HydrophobicContact CB-CB 4.24Å
1265I90.2Very high88Confident0 Ų022.3 Ų22.30%010%0.104CC..Hα-helixtrans-55.3-51171.7-69164.3000110.3L1261 E1263 L1268 N1269 G1270 I1276 F1277 A1445 A1446 L1449 L1523L1261-I1265 VanDerWaalsContact O-CG1 3.27Å; L1261-I1265 WeakPolarHBondContact O-CG1 3.22Å; L1261-I1265 PolarHBondContact O-N 3.39Å; E1263-I1265 VanDerWaalsContact C-N 3.35Å; I1265-L1268 CarbonylContact O-C 3.11Å; I1265-L1268 PolarHBondContact O-N 3.37Å; I1265-N1269 PolarHBondContact O-N 2.94Å; I1265-G1270 WeakPolarHBondContact O-CA 3.43Å; I1265-G1270 PolarHBondContact O-N 3.13Å; I1265-I1276 HydrophobicContact CG2-CD1 4.38Å; I1265-I1276 HydrophobicContact CG2-CG1 4.37Å; I1265-F1277 HydrophobicContact CD1-CE1 4.1Å; I1265-F1277 HydrophobicContact CD1-CE2 4.45Å; I1265-F1277 HydrophobicContact CD1-CZ 3.66Å; I1265-A1445 HydrophobicContact CB-CB 4.47Å; I1265-A1445 HydrophobicContact CG1-CB 3.53Å; I1265-A1446 HydrophobicContact CD1-CB 4.23Å; I1265-A1446 HydrophobicContact CG1-CB 4.36Å; I1265-L1449 HydrophobicContact CD1-CB 4.4Å; I1265-L1449 HydrophobicContact CD1-CD2 3.77Å; I1265-L1523 HydrophobicContact CD1-CD2 4.33Å
1266L85.5Confident88.3Confident34 Ų3422.3 Ų22.318%0.17810%0.104CC..Hα-helixtrans-75.7-38.1-175.2-65.1171.6000112.5T1262 E1263 E1264 L1268 N1269 W1337 L1523 L1527T1262-L1266 HydrophobicContact CG2-CD1 4.31Å; T1262-L1266 WeakPolarHBondContact O-CG 3.34Å; T1262-L1266 PolarHBondContact O-N 3.08Å; E1263-L1266 PolarHBondContact O-N 3.48Å; E1264-L1266 PolarHBondContact O-N 3Å; L1266-L1268 PolarHBondContact O-N 2.91Å; L1266-N1269 WeakPolarHBondContact O-CA 3.35Å; L1266-N1269 PolarHBondContact O-N 2.87Å; L1266-W1337 HydrophobicContact CB-CH2 3.46Å; L1266-W1337 VanDerWaalsContact CB-CH2 3.46Å; L1266-W1337 HydrophobicContact CB-CZ2 3.34Å; L1266-W1337 HydrophobicContact CD1-CH2 3.83Å; L1266-W1337 HydrophobicContact CD1-CZ2 3.67Å; L1266-W1337 HydrophobicContact CG-CH2 4.26Å; L1266-W1337 HydrophobicContact CG-CZ2 4.13Å; L1266-L1523 HydrophobicContact CD1-CD1 3.87Å; L1266-L1523 HydrophobicContact CD2-CD1 3.94Å; L1266-L1523 HydrophobicContact CG-CD1 3.95Å; L1266-L1527 HydrophobicContact CD2-CD2 4.18Å
1267R81Confident88.8Confident63 Ų6321.3 Ų21.324%0.23810%0.1CC..Hα-helixtrans-59.5-32.8171.4-172.5-16767.367.7-3.4112.2E1263 E1264 N1269 P1334 S1411E1263-R1267 WeakPolarHBondContact O-CB 3.47Å; E1263-R1267 PolarHBondContact O-N 3.14Å; E1264-R1267 VanDerWaalsContact CD-NE 3.31Å; E1264-R1267 IonicContact OE1-CZ 3.62Å; E1264-R1267 IonicContact OE1-NE 2.75Å; E1264-R1267 PolarHBondContact OE1-NE 3.37Å; E1264-R1267 IonicContact OE1-NH2 3.84Å; E1264-R1267 IonicContact OE2-CZ 2.65Å; E1264-R1267 VanDerWaalsContact OE2-CZ 3.31Å; E1264-R1267 IonicContact OE2-NE 3.01Å; E1264-R1267 PolarHBondContact OE2-NE 2.94Å; E1264-R1267 VanDerWaalsContact OE2-NE 3.1Å; E1264-R1267 IonicContact OE2-NH2 3.94Å; E1264-R1267 PolarHBondContact OE2-NH2 3.21Å; R1267-N1269 PolarHBondContact O-N 3.07Å; R1267-P1334 HydrophobicContact CG-CG 4.2Å; R1267-S1411 PolarHBondContact NH2-OG 3.38Å
1268L86.1Confident89.1Confident4 Ų428.5 Ų28.52%0.02113%0.127CC..THydrogen-bonded Turntrans-88.116.5175.8-65.5165.6000112.9E1264 I1265 L1266 G1270 L1410 E1441E1264-L1268 WeakPolarHBondContact O-CB 3.24Å; E1264-L1268 VanDerWaalsContact O-CD1 3.3Å; E1264-L1268 WeakPolarHBondContact O-CD1 3.37Å; E1264-L1268 WeakPolarHBondContact O-CG 3.36Å; E1264-L1268 PolarHBondContact O-N 3.16Å; I1265-L1268 CarbonylContact O-C 3.11Å; I1265-L1268 PolarHBondContact O-N 3.37Å; L1266-L1268 PolarHBondContact O-N 2.91Å; L1268-G1270 VanDerWaalsContact C-N 3.27Å; L1268-G1270 PolarHBondContact O-N 2.96Å; L1268-L1410 HydrophobicContact CD1-CD2 4.32Å; L1268-E1441 HydrophobicContact CD1-CB 3.59Å; L1268-E1441 HydrophobicContact CD2-CB 3.99Å; L1268-E1441 WeakPolarHBondContact CD2-OE2 3.47Å; L1268-E1441 HydrophobicContact CG-CB 4.38Å
1269N86.9Confident89.2Confident82 Ų8232.6 Ų32.644%0.43915%0.149SC..THydrogen-bonded Turntrans60.132177.1-166.430.4000113.7I1265 L1266 R1267 A1271 R1272 T1273I1265-N1269 PolarHBondContact O-N 2.94Å; L1266-N1269 WeakPolarHBondContact O-CA 3.35Å; L1266-N1269 PolarHBondContact O-N 2.87Å; R1267-N1269 PolarHBondContact O-N 3.07Å; N1269-A1271 PolarHBondContact O-N 2.9Å; N1269-R1272 PolarHBondContact O-N 3.4Å; N1269-R1272 WeakPolarHBondContact OD1-CG 3.48Å; N1269-T1273 PolarHBondContact O-N 2.69Å
1270G87.5Confident89.3Confident0 Ų036.9 Ų36.90%018%0.179CC..THydrogen-bonded Turntrans-58.3-19.6-178.900000114.9I1265 L1268 R1272 T1273 I1276I1265-G1270 WeakPolarHBondContact O-CA 3.43Å; I1265-G1270 PolarHBondContact O-N 3.13Å; L1268-G1270 VanDerWaalsContact C-N 3.27Å; L1268-G1270 PolarHBondContact O-N 2.96Å; G1270-R1272 PolarHBondContact O-N 3.26Å; G1270-T1273 PolarHBondContact O-N 2.77Å; G1270-I1276 WeakPolarHBondContact O-CB 3.47Å; G1270-I1276 WeakPolarHBondContact O-CG2 3.5Å
1271A89Confident89.6Confident8 Ų836.7 Ų36.77%0.06618%0.179CC..THydrogen-bonded Turntrans-65.2-22.617000000113.7N1269 L1527 H1532N1269-A1271 PolarHBondContact O-N 2.9Å; A1271-L1527 VanDerWaalsContact CA-CD2 3.46Å; A1271-L1527 HydrophobicContact CB-CD2 3.84Å; A1271-H1532 HydrophobicContact CB-CB 4.23Å; A1271-H1532 WeakPolarHBondContact O-CB 3.36Å
1272R90.5Very high89.4Confident91 Ų9140.8 Ų40.834%0.34320%0.201SC..THydrogen-bonded Turntrans-113.4-1.8177.1-57.2-175.3166.5171.7-0.2112.9N1269 G1270 E1274 E1347N1269-R1272 PolarHBondContact O-N 3.4Å; N1269-R1272 WeakPolarHBondContact OD1-CG 3.48Å; G1270-R1272 PolarHBondContact O-N 3.26Å; R1272-E1274 PolarHBondContact O-N 3.17Å; R1272-E1347 IonicContact CZ-OE1 3.72Å; R1272-E1347 IonicContact NH2-OE1 3.66Å; R1272-E1347 PolarHBondContact NH2-OE1 3.39Å; R1272-E1347 IonicContact NH2-OE2 3.37Å
1273T93.7Very high89.1Confident1 Ų145.3 Ų45.31%0.00622%0.223CC..SBendtrans-74.1121.8173.5-62.60000110.7N1269 G1270 G1275 I1276 N1439 S1442 H1443 S1536N1269-T1273 PolarHBondContact O-N 2.69Å; G1270-T1273 PolarHBondContact O-N 2.77Å; T1273-G1275 PolarHBondContact O-N 3.42Å; T1273-I1276 PolarHBondContact O-N 2.95Å; T1273-N1439 WeakPolarHBondContact CB-OD1 3.35Å; T1273-N1439 HydrophobicContact CG2-CB 3.99Å; T1273-N1439 WeakPolarHBondContact CG2-OD1 3.3Å; T1273-N1439 PolarHBondContact OG1-OD1 3.41Å; T1273-S1442 WeakPolarHBondContact CB-OG 3.21Å; T1273-S1442 WeakPolarHBondContact CG2-OG 3.36Å; T1273-S1442 PolarHBondContact OG1-OG 2.86Å; T1273-H1443 WeakPolarHBondContact CG2-CE1 3.5Å; T1273-S1536 WeakPolarHBondContact O-CA 3.4Å; T1273-S1536 WeakPolarHBondContact O-CB 3.43Å
1274E93.8Very high88.9Confident123 Ų12350.6 Ų50.658%0.57525%0.252SS*.THydrogen-bonded Turntrans-55.6128173.5-167.3-169.2156.200111.6R1272 I1276 H1443 S1536 L1537R1272-E1274 PolarHBondContact O-N 3.17Å; E1274-I1276 VanDerWaalsContact C-N 3.32Å; E1274-I1276 PolarHBondContact O-N 3.07Å; E1274-H1443 PolarHBondContact O-CE1 2.98Å; E1274-S1536 CarbonylContact C-O 3.58Å; E1274-S1536 WeakPolarHBondContact CA-O 3.45Å; E1274-L1537 HydrophobicContact CG-CD1 3.88Å; E1274-L1537 HydrophobicContact CG-CG 4.21Å
1275G94.4Very high88.9Confident7 Ų752.3 Ų52.37%0.07226%0.26CS..THydrogen-bonded Turntrans66.427.2176.700000114.5T1273 R1278 L1279 S1536T1273-G1275 PolarHBondContact O-N 3.42Å; G1275-R1278 WeakPolarHBondContact O-CA 3.29Å; G1275-R1278 WeakPolarHBondContact O-CB 3.29Å; G1275-R1278 PolarHBondContact O-N 2.91Å; G1275-L1279 PolarHBondContact O-N 3.26Å; G1275-S1536 PolarHBondContact N-O 3.12Å
1276I95.8Very high88.7Confident0 Ų052.7 Ų52.70%026%0.263CS..THydrogen-bonded Turntrans-51.2140.7172.2-164.163.5000111I1265 G1270 T1273 E1274 R1278 A1446 M1538I1265-I1276 HydrophobicContact CG2-CD1 4.38Å; I1265-I1276 HydrophobicContact CG2-CG1 4.37Å; G1270-I1276 WeakPolarHBondContact O-CB 3.47Å; G1270-I1276 WeakPolarHBondContact O-CG2 3.5Å; T1273-I1276 PolarHBondContact O-N 2.95Å; E1274-I1276 VanDerWaalsContact C-N 3.32Å; E1274-I1276 PolarHBondContact O-N 3.07Å; I1276-R1278 PolarHBondContact O-N 3.49Å; I1276-A1446 HydrophobicContact CD1-CB 3.78Å; I1276-A1446 HydrophobicContact CG1-CB 4.31Å; I1276-M1538 HydrophobicContact CG2-CB 4.25Å; I1276-M1538 HydrophobicContact CG2-CG 4.07Å; I1276-M1538 WeakPolarHBondContact O-CE 3.4Å; I1276-M1538 WeakPolarHBondContact O-CG 3.46Å
1277F96.9Very high88.3Confident1 Ų155.1 Ų55.10%0.00428%0.275CS..THydrogen-bonded Turntrans56.7-19.6-165.9-66-70.2000117.8I1265 A1446 L1449 K1450 L1523 L1524 L1527 L1543 V1546 I1547I1265-F1277 HydrophobicContact CD1-CE1 4.1Å; I1265-F1277 HydrophobicContact CD1-CE2 4.45Å; I1265-F1277 HydrophobicContact CD1-CZ 3.66Å; F1277-A1446 HydrophobicContact CD1-CB 3.62Å; F1277-A1446 HydrophobicContact CE1-CB 3.81Å; F1277-A1446 HydrophobicContact CG-CB 4.1Å; F1277-A1446 HydrophobicContact CZ-CB 4.43Å; F1277-L1449 HydrophobicContact CE1-CB 4.44Å; F1277-L1449 HydrophobicContact CE1-CD2 4.17Å; F1277-L1449 HydrophobicContact CZ-CD2 4.01Å; F1277-K1450 HydrophobicContact CD1-CD 4.04Å; F1277-K1450 HydrophobicContact CD1-CG 3.85Å; F1277-K1450 HydrophobicContact CE1-CG 4.35Å; F1277-K1450 WeakPolarHBondContact O-CE 3.49Å; F1277-K1450 PolarHBondContact O-NZ 3.41Å; F1277-L1523 HydrophobicContact CE2-CD2 4.32Å; F1277-L1523 HydrophobicContact CZ-CD2 4.03Å; F1277-L1524 HydrophobicContact CD2-CD2 4.25Å; F1277-L1524 HydrophobicContact CE2-CD2 3.95Å; F1277-L1527 HydrophobicContact CD2-CD1 4.05Å; F1277-L1527 HydrophobicContact CE2-CD1 3.54Å; F1277-L1543 HydrophobicContact CD2-CD2 3.97Å; F1277-V1546 HydrophobicContact CB-CG2 3.64Å; F1277-I1547 HydrophobicContact CD1-CD1 3.82Å; F1277-I1547 HydrophobicContact CD2-CD1 4.41Å; F1277-I1547 HydrophobicContact CE1-CD1 4Å; F1277-I1547 HydrophobicContact CG-CD1 4.03Å; F1277-I1547 HydrophobicContact CZ-CD1 4.36Å
1278R94.9Very high88Confident151 Ų15154.9 Ų54.957%0.5728%0.276SS*.THydrogen-bonded Turntrans-87.3-47.8179.5179.3178174.6-170.3-3.3112.8G1275 I1276 M1538 V1546G1275-R1278 WeakPolarHBondContact O-CA 3.29Å; G1275-R1278 WeakPolarHBondContact O-CB 3.29Å; G1275-R1278 PolarHBondContact O-N 2.91Å; I1276-R1278 PolarHBondContact O-N 3.49Å; R1278-M1538 HydrophobicContact CB-CE 3.93Å; R1278-M1538 HydrophobicContact CB-SD 3.64Å; R1278-M1538 HydrophobicContact CG-SD 4.41Å; R1278-V1546 HydrophobicContact CB-CG1 4.11Å; R1278-V1546 HydrophobicContact CG-CG1 4.33Å
1279L92.7Very high87.7Confident85 Ų8554.7 Ų54.745%0.44528%0.275SS..SBendtrans-68.8150.5171.7-61.7179.8000109.9G1275G1275-L1279 PolarHBondContact O-N 3.26Å
1280S87.7Confident87.5Confident90 Ų9051.5 Ų51.563%0.62926%0.257SS*.  trans-104.6136.6177-62.90000109.1
1281P90.1Very high86.6Confident12 Ų1252.7 Ų52.78%0.07827%0.265CS..  trans-71.2174.8172.733.9-37.3000110.8M1283 L1286 H1443 L1444P1281-M1283 PolarHBondContact O-N 3.46Å; P1281-L1286 HydrophobicContact CG-CB 4.25Å; P1281-L1286 HydrophobicContact CG-CD1 3.53Å; P1281-H1443 HydrophobicContact CB-CB 4.37Å; P1281-L1444 HydrophobicContact CB-CB 4.21Å; P1281-L1444 HydrophobicContact CB-CD1 3.85Å; P1281-L1444 HydrophobicContact CG-CD1 4.12Å
1282D86.7Confident85.7Confident86 Ų8654.2 Ų54.246%0.4627%0.271SS..  trans-54.4129164.8-176.6-86.2000110.7D1284 L1285 L1286D1282-D1284 PolarHBondContact OD1-N 2.85Å; D1282-D1284 VanDerWaalsContact OD1-N 3.09Å; D1282-L1285 HydrophobicContact CB-CB 4.09Å; D1282-L1285 WeakPolarHBondContact OD1-CB 3.43Å; D1282-L1285 PolarHBondContact OD1-N 3.45Å; D1282-L1286 WeakPolarHBondContact O-CB 3.42Å; D1282-L1286 PolarHBondContact O-N 3.16Å
1283M82.2Confident85.1Confident101 Ų10150 Ų5050%0.49826%0.255SS..Hα-helixtrans-77.3-33.2-171.1-78.2-61.6-50.700113P1281 L1286 I1287P1281-M1283 PolarHBondContact O-N 3.46Å; M1283-L1286 HydrophobicContact CE-CD2 3.93Å; M1283-L1286 PolarHBondContact O-N 3.02Å; M1283-L1286 HydrophobicContact SD-CD2 4.36Å; M1283-I1287 WeakPolarHBondContact O-CD1 3.21Å; M1283-I1287 VanDerWaalsContact O-CG1 3.26Å; M1283-I1287 WeakPolarHBondContact O-CG1 3.13Å; M1283-I1287 PolarHBondContact O-N 3.12Å
1284D77.4Confident84.1Confident124 Ų12450.6 Ų50.666%0.66326%0.258SS*.Hα-helixtrans-75.5-41.1-178.7-65.4-23.8000109.8D1282 L1286 I1287 E1288D1282-D1284 PolarHBondContact OD1-N 2.85Å; D1282-D1284 VanDerWaalsContact OD1-N 3.09Å; D1284-L1286 VanDerWaalsContact C-N 3.35Å; D1284-L1286 PolarHBondContact O-N 3.44Å; D1284-I1287 PolarHBondContact O-N 2.94Å; D1284-E1288 PolarHBondContact O-N 3.17Å
1285L83.3Confident82.8Confident35 Ų3549.1 Ų49.118%0.18325%0.25CC..Hα-helixtrans-62.4-39.6170-177.163.1000112D1282 V1289 I1414 L1444D1282-L1285 HydrophobicContact CB-CB 4.09Å; D1282-L1285 WeakPolarHBondContact OD1-CB 3.43Å; D1282-L1285 PolarHBondContact OD1-N 3.45Å; L1285-V1289 HydrophobicContact CD1-CG2 3.84Å; L1285-V1289 HydrophobicContact CG-CG2 4.3Å; L1285-V1289 VanDerWaalsContact O-CB 3.29Å; L1285-V1289 WeakPolarHBondContact O-CB 3.36Å; L1285-V1289 VanDerWaalsContact O-CG2 3.29Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.25Å; L1285-V1289 PolarHBondContact O-N 3.26Å; L1285-I1414 HydrophobicContact CD1-CG1 4.41Å; L1285-I1414 HydrophobicContact CD1-CG2 4.22Å; L1285-I1414 HydrophobicContact CD2-CG2 4.43Å; L1285-L1444 HydrophobicContact CD2-CD1 4.45Å; L1285-L1444 HydrophobicContact CD2-CD2 4.14Å; L1285-L1444 HydrophobicContact CG-CD1 4.23Å; L1285-L1444 HydrophobicContact CG-CD2 4.14Å
1286L86.8Confident81.5Confident9 Ų949.8 Ų49.85%0.04725%0.251CS..Hα-helixtrans-64.2-39.2175171.8142.1000112.2P1281 D1282 M1283 D1284 R1290 L1444 L1448 L1451P1281-L1286 HydrophobicContact CG-CB 4.25Å; P1281-L1286 HydrophobicContact CG-CD1 3.53Å; D1282-L1286 WeakPolarHBondContact O-CB 3.42Å; D1282-L1286 PolarHBondContact O-N 3.16Å; M1283-L1286 HydrophobicContact CE-CD2 3.93Å; M1283-L1286 PolarHBondContact O-N 3.02Å; M1283-L1286 HydrophobicContact SD-CD2 4.36Å; D1284-L1286 VanDerWaalsContact C-N 3.35Å; D1284-L1286 PolarHBondContact O-N 3.44Å; L1286-R1290 WeakPolarHBondContact O-CB 3.39Å; L1286-R1290 PolarHBondContact O-N 3.36Å; L1286-L1444 HydrophobicContact CB-CD1 3.8Å; L1286-L1448 HydrophobicContact CG-CD2 4.22Å; L1286-L1451 HydrophobicContact CD2-CD2 4Å
1287I76.9Confident80.3Confident85 Ų8549.8 Ų49.844%0.43625%0.251SS..Hα-helixtrans-67.7-48.6175.6-71164000110.5M1283 D1284 R1290 C1291M1283-I1287 WeakPolarHBondContact O-CD1 3.21Å; M1283-I1287 VanDerWaalsContact O-CG1 3.26Å; M1283-I1287 WeakPolarHBondContact O-CG1 3.13Å; M1283-I1287 PolarHBondContact O-N 3.12Å; D1284-I1287 PolarHBondContact O-N 2.94Å; I1287-R1290 WeakPolarHBondContact O-CB 3.43Å; I1287-R1290 PolarHBondContact O-N 3.46Å; I1287-C1291 PolarHBondContact O-N 2.94Å; I1287-C1291 PolarHBondContact O-SG 3.2Å
1288E74.2Confident78.6Confident58 Ų5851.1 Ų51.127%0.27126%0.258SS..Hα-helixtrans-63.2-46.4-179.7174.453.9-153.800111.9D1284 R1290 C1291 Q1292 A1417D1284-E1288 PolarHBondContact O-N 3.17Å; E1288-R1290 VanDerWaalsContact C-N 3.3Å; E1288-R1290 PolarHBondContact O-N 3.46Å; E1288-C1291 WeakPolarHBondContact O-CB 3.03Å; E1288-C1291 PolarHBondContact O-N 2.58Å; E1288-C1291 VanDerWaalsContact O-N 3.1Å; E1288-Q1292 WeakPolarHBondContact O-CG 3.4Å; E1288-Q1292 PolarHBondContact O-N 3.06Å; E1288-Q1292 WeakPolarHBondContact OE1-CG 3.42Å; E1288-Q1292 PolarHBondContact OE1-NE2 3.29Å; E1288-A1417 HydrophobicContact CG-CB 3.6Å
1289V79.8Confident76.8Confident0 Ų045.5 Ų45.50%024%0.238CC..Hα-helixtrans-66.7-32.1178.6172.80000111.7L1285 Q1292 L1293 L1410 I1413 I1414 A1417 L1444 L1448L1285-V1289 HydrophobicContact CD1-CG2 3.84Å; L1285-V1289 HydrophobicContact CG-CG2 4.3Å; L1285-V1289 VanDerWaalsContact O-CB 3.29Å; L1285-V1289 WeakPolarHBondContact O-CB 3.36Å; L1285-V1289 VanDerWaalsContact O-CG2 3.29Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.25Å; L1285-V1289 PolarHBondContact O-N 3.26Å; V1289-Q1292 PolarHBondContact O-N 3.24Å; V1289-L1293 WeakPolarHBondContact O-CG 3.45Å; V1289-L1293 PolarHBondContact O-N 3.38Å; V1289-L1410 HydrophobicContact CG1-CD1 3.57Å; V1289-I1413 HydrophobicContact CB-CG2 4.41Å; V1289-I1413 HydrophobicContact CG1-CB 4.34Å; V1289-I1413 HydrophobicContact CG1-CG2 3.9Å; V1289-I1413 HydrophobicContact CG2-CG2 4.23Å; V1289-I1414 HydrophobicContact CG2-CG1 4.1Å; V1289-A1417 HydrophobicContact CG2-CB 4.36Å; V1289-L1444 HydrophobicContact CB-CD2 4.36Å; V1289-L1444 HydrophobicContact CG1-CD2 4.26Å; V1289-L1444 HydrophobicContact CG2-CD2 4.14Å; V1289-L1448 HydrophobicContact CG1-CD1 3.72Å
1290R82.5Confident75.2Confident15 Ų1541.7 Ų41.76%0.05722%0.218CC..Hα-helixtrans-61.6-46.2168.3165.5-100.3176.87518.1111.8F1234 L1286 I1287 E1288 Q1292 L1293 E1294 L1448 L1451 E1455F1234-R1290 HydrophobicContact CD1-CG 4.26Å; F1234-R1290 HydrophobicContact CD2-CG 3.75Å; F1234-R1290 HydrophobicContact CE1-CG 4.1Å; F1234-R1290 HydrophobicContact CE2-CB 4.18Å; F1234-R1290 HydrophobicContact CE2-CG 3.57Å; F1234-R1290 HydrophobicContact CG-CG 4.12Å; F1234-R1290 HydrophobicContact CZ-CB 4.08Å; F1234-R1290 HydrophobicContact CZ-CG 3.77Å; L1286-R1290 WeakPolarHBondContact O-CB 3.39Å; L1286-R1290 PolarHBondContact O-N 3.36Å; I1287-R1290 WeakPolarHBondContact O-CB 3.43Å; I1287-R1290 PolarHBondContact O-N 3.46Å; E1288-R1290 VanDerWaalsContact C-N 3.3Å; E1288-R1290 PolarHBondContact O-N 3.46Å; R1290-Q1292 VanDerWaalsContact C-N 3.3Å; R1290-Q1292 PolarHBondContact O-N 2.89Å; R1290-L1293 PolarHBondContact O-N 3.19Å; R1290-E1294 IonicContact CZ-OE1 2.87Å; R1290-E1294 IonicContact CZ-OE2 3.63Å; R1290-E1294 IonicContact NE-OE1 3.5Å; R1290-E1294 PolarHBondContact NE-OE1 2.61Å; R1290-E1294 IonicContact NE-OE2 3.61Å; R1290-E1294 PolarHBondContact NE-OE2 2.84Å; R1290-E1294 IonicContact NH2-OE1 3.66Å; R1290-E1294 PolarHBondContact NH2-OE1 2.7Å; R1290-E1294 IonicContact NH2-OE2 3.64Å; R1290-E1294 PolarHBondContact O-N 3Å; R1290-L1448 HydrophobicContact CB-CD2 3.83Å; R1290-L1451 HydrophobicContact CB-CD2 4.27Å; R1290-L1451 HydrophobicContact CG-CD2 3.98Å; R1290-E1455 IonicContact CZ-OE1 3.31Å; R1290-E1455 IonicContact CZ-OE2 3.17Å; R1290-E1455 IonicContact NH1-OE1 2.62Å; R1290-E1455 PolarHBondContact NH1-OE1 3.19Å; R1290-E1455 IonicContact NH1-OE2 2.75Å; R1290-E1455 PolarHBondContact NH1-OE2 3.01Å; R1290-E1455 IonicContact NH2-OE1 3.41Å; R1290-E1455 IonicContact NH2-OE2 3.63Å; R1290-E1455 PolarHBondContact NH2-OE2 3.34Å
1291C68.8Low73.3Confident24 Ų2439 Ų3916%0.16219%0.194CC..Hα-helixtrans-63.3-35.4176-66.50000112.1I1287 E1288 E1294 K1295I1287-C1291 PolarHBondContact O-N 2.94Å; I1287-C1291 PolarHBondContact O-SG 3.2Å; E1288-C1291 WeakPolarHBondContact O-CB 3.03Å; E1288-C1291 PolarHBondContact O-N 2.58Å; E1288-C1291 VanDerWaalsContact O-N 3.1Å; C1291-E1294 PolarHBondContact O-N 3.02Å; C1291-K1295 VanDerWaalsContact O-CG 3.24Å; C1291-K1295 WeakPolarHBondContact O-CG 3.44Å; C1291-K1295 PolarHBondContact O-N 3.18Å
1292Q70.5Confident71.1Confident41 Ų4139 Ų3919%0.19219%0.194CC..Hα-helixtrans-69.2-34.3174-64.7-66.2-28.400112.8E1288 V1289 R1290 K1295 L1296 I1413E1288-Q1292 WeakPolarHBondContact O-CG 3.4Å; E1288-Q1292 PolarHBondContact O-N 3.06Å; E1288-Q1292 WeakPolarHBondContact OE1-CG 3.42Å; E1288-Q1292 PolarHBondContact OE1-NE2 3.29Å; V1289-Q1292 PolarHBondContact O-N 3.24Å; R1290-Q1292 VanDerWaalsContact C-N 3.3Å; R1290-Q1292 PolarHBondContact O-N 2.89Å; Q1292-K1295 PolarHBondContact O-N 3.12Å; Q1292-L1296 PolarHBondContact O-N 3.41Å; Q1292-I1413 HydrophobicContact CB-CG2 3.52Å; Q1292-I1413 HydrophobicContact CG-CG2 4.13Å
1293L77.4Confident68.7Low1 Ų137.7 Ų37.71%0.00519%0.189CC..Hα-helixtrans-68.3-39.5172.5-74.8168.2000112.4F1234 W1256 I1257 F1260 L1261 V1289 R1290 L1296 F1297 I1413 L1448F1234-L1293 HydrophobicContact CE2-CB 4.27Å; F1234-L1293 HydrophobicContact CZ-CD1 4.32Å; W1256-L1293 HydrophobicContact CH2-CD2 4Å; W1256-L1293 HydrophobicContact CZ3-CD2 4.4Å; I1257-L1293 HydrophobicContact CD1-CD1 4.32Å; F1260-L1293 HydrophobicContact CD1-CD2 4.32Å; F1260-L1293 HydrophobicContact CE1-CD2 3.92Å; L1261-L1293 HydrophobicContact CD2-CD1 4.43Å; V1289-L1293 WeakPolarHBondContact O-CG 3.45Å; V1289-L1293 PolarHBondContact O-N 3.38Å; R1290-L1293 PolarHBondContact O-N 3.19Å; L1293-L1296 PolarHBondContact O-N 3.35Å; L1293-F1297 PolarHBondContact O-N 3.2Å; L1293-I1413 HydrophobicContact CD2-CD1 3.7Å; L1293-I1413 HydrophobicContact CG-CD1 4.16Å; L1293-L1448 HydrophobicContact CD1-CD1 4.16Å; L1293-L1448 HydrophobicContact CD1-CD2 4.46Å
1294E74Confident66.3Low14 Ų1434.8 Ų34.87%0.06518%0.175CC..Hα-helixtrans-64-40.2173.8-72.4172.1147.900111.2R1203 F1227 V1233 F1234 R1290 C1291 L1296 F1297 E1298R1203-E1294 IonicContact NH2-OE1 2.71Å; F1227-E1294 HydrophobicContact CE2-CB 4.23Å; F1227-E1294 HydrophobicContact CZ-CG 4.42Å; V1233-E1294 HydrophobicContact CB-CG 4.49Å; F1234-E1294 HydrophobicContact CD2-CG 3.71Å; F1234-E1294 WeakPolarHBondContact CD2-OE1 3.36Å; F1234-E1294 HydrophobicContact CE2-CG 4.18Å; R1290-E1294 IonicContact CZ-OE1 2.87Å; R1290-E1294 IonicContact CZ-OE2 3.63Å; R1290-E1294 IonicContact NE-OE1 3.5Å; R1290-E1294 PolarHBondContact NE-OE1 2.61Å; R1290-E1294 IonicContact NE-OE2 3.61Å; R1290-E1294 PolarHBondContact NE-OE2 2.84Å; R1290-E1294 IonicContact NH2-OE1 3.66Å; R1290-E1294 PolarHBondContact NH2-OE1 2.7Å; R1290-E1294 IonicContact NH2-OE2 3.64Å; R1290-E1294 PolarHBondContact O-N 3Å; C1291-E1294 PolarHBondContact O-N 3.02Å; E1294-L1296 PolarHBondContact O-N 2.89Å; E1294-F1297 PolarHBondContact O-N 3.3Å; E1294-E1298 PolarHBondContact O-N 3.13Å
1295K64.9Low64Low93 Ų9334.9 Ų34.940%0.40417%0.174SC..Hα-helixtrans-64-34.1171.7-69165.6-163.6169.60113.5C1291 Q1292C1291-K1295 VanDerWaalsContact O-CG 3.24Å; C1291-K1295 WeakPolarHBondContact O-CG 3.44Å; C1291-K1295 PolarHBondContact O-N 3.18Å; Q1292-K1295 PolarHBondContact O-N 3.12Å
1296L68.6Low61.3Low20 Ų2036.4 Ų36.411%0.10519%0.187CC..Hα-helixtrans-70.9-42177.7-165.690.6000111.6W1256 Q1292 L1293 E1294 I1299 W1406 P1407W1256-L1296 HydrophobicContact CH2-CD2 3.5Å; W1256-L1296 HydrophobicContact CZ2-CD2 3.8Å; W1256-L1296 HydrophobicContact CZ3-CD2 4.4Å; Q1292-L1296 PolarHBondContact O-N 3.41Å; L1293-L1296 PolarHBondContact O-N 3.35Å; E1294-L1296 PolarHBondContact O-N 2.89Å; L1296-I1299 HydrophobicContact CD1-CD1 4.4Å; L1296-I1299 VanDerWaalsContact O-CB 3.29Å; L1296-I1299 WeakPolarHBondContact O-CB 3.48Å; L1296-I1299 VanDerWaalsContact O-CG1 3.29Å; L1296-I1299 WeakPolarHBondContact O-CG1 3.05Å; L1296-I1299 PolarHBondContact O-N 3.03Å; L1296-I1299 VanDerWaalsContact O-N 3.1Å; L1296-W1406 HydrophobicContact CD1-CD2 4.21Å; L1296-W1406 HydrophobicContact CD1-CE3 3.92Å; L1296-W1406 HydrophobicContact CD1-CG 4.49Å; L1296-W1406 HydrophobicContact CG-CE3 4.44Å; L1296-P1407 HydrophobicContact CD1-CG 4.13Å
1297F70.8Confident58.5Low0 Ų043.2 Ų43.20%022%0.224CC..Hα-helixtrans-71.6-30.2-177.3-173.8-94.4000113.3V1233 M1241 I1244 Q1245 W1256 L1293 E1294 I1299 F1300V1233-F1297 HydrophobicContact CG2-CB 3.18Å; V1233-F1297 HydrophobicContact CG2-CD1 3.63Å; V1233-F1297 HydrophobicContact CG2-CD2 3.63Å; V1233-F1297 HydrophobicContact CG2-CE1 4.36Å; V1233-F1297 HydrophobicContact CG2-CE2 4.39Å; V1233-F1297 HydrophobicContact CG2-CG 3.21Å; M1241-F1297 HydrophobicContact CB-CZ 4.3Å; M1241-F1297 HydrophobicContact CG-CE2 3.99Å; M1241-F1297 HydrophobicContact CG-CZ 3.75Å; I1244-F1297 HydrophobicContact CB-CE1 3.92Å; I1244-F1297 HydrophobicContact CB-CZ 3.88Å; I1244-F1297 HydrophobicContact CD1-CE1 4.01Å; I1244-F1297 HydrophobicContact CG2-CD1 4.2Å; I1244-F1297 HydrophobicContact CG2-CE1 3.4Å; I1244-F1297 VanDerWaalsContact CG2-CE1 3.4Å; I1244-F1297 HydrophobicContact CG2-CZ 3.62Å; Q1245-F1297 HydrophobicContact CB-CE2 4.34Å; W1256-F1297 HydrophobicContact CE3-CD2 4.26Å; L1293-F1297 PolarHBondContact O-N 3.2Å; E1294-F1297 PolarHBondContact O-N 3.3Å; F1297-I1299 PolarHBondContact O-N 3.04Å; F1297-I1299 VanDerWaalsContact O-N 3.09Å; F1297-F1300 HydrophobicContact CB-CD2 4.42Å; F1297-F1300 AromaticContact CD2-CD2 3.35Å; F1297-F1300 HydrophobicContact CD2-CD2 3.35Å; F1297-F1300 AromaticContact CD2-CE2 3.55Å; F1297-F1300 HydrophobicContact CD2-CE2 3.55Å; F1297-F1300 AromaticContact CE2-CD2 3.73Å; F1297-F1300 HydrophobicContact CE2-CD2 3.73Å; F1297-F1300 HydrophobicContact CE2-CE2 4.15Å; F1297-F1300 AromaticContact CG-CD2 3.96Å; F1297-F1300 HydrophobicContact CG-CD2 3.96Å; F1297-F1300 HydrophobicContact CG-CE2 4.32Å; F1297-F1300 WeakPolarHBondContact O-CB 3.33Å; F1297-F1300 PolarHBondContact O-N 3.41Å
1298E59.5Low56.1Low30 Ų3043.9 Ų43.914%0.1424%0.236CC..G310 helixtrans-51.1-29.8167-92.5-84.4117.200112.3K1230 E1294 F1300 R1301K1230-E1298 HydrophobicContact CB-CG 4.46Å; K1230-E1298 VanDerWaalsContact CB-OE1 3.26Å; K1230-E1298 WeakPolarHBondContact CB-OE1 3.27Å; K1230-E1298 HydrophobicContact CD-CG 4.28Å; K1230-E1298 VanDerWaalsContact CD-OE2 3.29Å; K1230-E1298 WeakPolarHBondContact CD-OE2 3.34Å; K1230-E1298 WeakPolarHBondContact CE-OE2 3.38Å; K1230-E1298 WeakPolarHBondContact CG-OE1 3.3Å; K1230-E1298 WeakPolarHBondContact CG-OE2 3.17Å; K1230-E1298 IonicContact NZ-OE2 2.69Å; K1230-E1298 PolarHBondContact NZ-OE2 2.91Å; E1294-E1298 PolarHBondContact O-N 3.13Å; E1298-F1300 PolarHBondContact O-N 2.9Å; E1298-R1301 VanDerWaalsContact O-CB 3.28Å; E1298-R1301 WeakPolarHBondContact O-CB 3.22Å; E1298-R1301 PolarHBondContact O-N 3.1Å; E1298-R1301 WeakPolarHBondContact OE1-CD 3.3Å; E1298-R1301 IonicContact OE1-CZ 2.67Å; E1298-R1301 IonicContact OE1-NE 3.22Å; E1298-R1301 IonicContact OE1-NH1 3.81Å; E1298-R1301 PolarHBondContact OE1-NH1 2.94Å; E1298-R1301 IonicContact OE2-NH1 3.49Å
1299I57.7Low54Low32 Ų3250.1 Ų50.116%0.16427%0.265CS..G310 helixtrans-74.1-13.7179.2-40.7167.5000112.7L1296 F1297 R1301 V1302 L1399 W1406L1296-I1299 HydrophobicContact CD1-CD1 4.4Å; L1296-I1299 VanDerWaalsContact O-CB 3.29Å; L1296-I1299 WeakPolarHBondContact O-CB 3.48Å; L1296-I1299 VanDerWaalsContact O-CG1 3.29Å; L1296-I1299 WeakPolarHBondContact O-CG1 3.05Å; L1296-I1299 PolarHBondContact O-N 3.03Å; L1296-I1299 VanDerWaalsContact O-N 3.1Å; F1297-I1299 PolarHBondContact O-N 3.04Å; F1297-I1299 VanDerWaalsContact O-N 3.09Å; I1299-R1301 VanDerWaalsContact C-N 3.25Å; I1299-V1302 HydrophobicContact CG2-CG2 4.23Å; I1299-V1302 WeakPolarHBondContact O-CG2 3.31Å; I1299-L1399 HydrophobicContact CG1-CD2 4.5Å; I1299-L1399 HydrophobicContact CG2-CD1 4.45Å; I1299-L1399 HydrophobicContact CG2-CD2 3.43Å; I1299-L1399 VanDerWaalsContact CG2-CD2 3.43Å; I1299-W1406 HydrophobicContact CB-CH2 3.84Å; I1299-W1406 HydrophobicContact CB-CZ2 3.99Å; I1299-W1406 HydrophobicContact CD1-CD2 4.36Å; I1299-W1406 HydrophobicContact CD1-CH2 4.09Å; I1299-W1406 HydrophobicContact CD1-CZ2 3.72Å; I1299-W1406 HydrophobicContact CG1-CZ2 4.43Å; I1299-W1406 HydrophobicContact CG2-CH2 3.53Å; I1299-W1406 HydrophobicContact CG2-CZ2 3.35Å
1300F60.1Low51.6Low5 Ų558.5 Ų58.52%0.02230%0.304CS..G310 helixtrans-77.1-14.5169.7-53.1-27.5000112I1244 Y1247 R1248 F1249 W1256 F1297 E1298 V1302 W1406I1244-F1300 HydrophobicContact CG2-CB 4.42Å; Y1247-F1300 WeakPolarHBondContact CD1-O 3.35Å; R1248-F1300 HydrophobicContact CB-CB 4.44Å; R1248-F1300 HydrophobicContact CB-CD1 4.4Å; R1248-F1300 HydrophobicContact CG-CD1 4.19Å; F1249-F1300 HydrophobicContact CE2-CD1 4.09Å; F1249-F1300 HydrophobicContact CE2-CD2 4.32Å; F1249-F1300 AromaticContact CE2-CE1 3.7Å; F1249-F1300 HydrophobicContact CE2-CE1 3.7Å; F1249-F1300 AromaticContact CE2-CE2 3.95Å; F1249-F1300 HydrophobicContact CE2-CE2 3.95Å; F1249-F1300 HydrophobicContact CE2-CG 4.42Å; F1249-F1300 AromaticContact CE2-CZ 3.64Å; F1249-F1300 HydrophobicContact CE2-CZ 3.64Å; F1249-F1300 HydrophobicContact CZ-CE1 4.13Å; F1249-F1300 HydrophobicContact CZ-CZ 4.22Å; W1256-F1300 AromaticContact CD2-CE2 3.76Å; W1256-F1300 HydrophobicContact CD2-CE2 3.76Å; W1256-F1300 AromaticContact CD2-CZ 3.99Å; W1256-F1300 HydrophobicContact CD2-CZ 3.99Å; W1256-F1300 AromaticContact CE3-CE2 3.81Å; W1256-F1300 HydrophobicContact CE3-CE2 3.81Å; W1256-F1300 HydrophobicContact CE3-CZ 4.3Å; W1256-F1300 HydrophobicContact CG-CE2 4.07Å; W1256-F1300 HydrophobicContact CG-CZ 4.38Å; W1256-F1300 HydrophobicContact CZ2-CZ 4.43Å; W1256-F1300 HydrophobicContact CZ3-CE2 4.39Å; F1297-F1300 HydrophobicContact CB-CD2 4.42Å; F1297-F1300 AromaticContact CD2-CD2 3.35Å; F1297-F1300 HydrophobicContact CD2-CD2 3.35Å; F1297-F1300 AromaticContact CD2-CE2 3.55Å; F1297-F1300 HydrophobicContact CD2-CE2 3.55Å; F1297-F1300 AromaticContact CE2-CD2 3.73Å; F1297-F1300 HydrophobicContact CE2-CD2 3.73Å; F1297-F1300 HydrophobicContact CE2-CE2 4.15Å; F1297-F1300 AromaticContact CG-CD2 3.96Å; F1297-F1300 HydrophobicContact CG-CD2 3.96Å; F1297-F1300 HydrophobicContact CG-CE2 4.32Å; F1297-F1300 WeakPolarHBondContact O-CB 3.33Å; F1297-F1300 PolarHBondContact O-N 3.41Å; E1298-F1300 PolarHBondContact O-N 2.9Å; F1300-V1302 PolarHBondContact O-N 3.37Å; F1300-W1406 HydrophobicContact CE1-CZ3 4.09Å
1301R47.6Very low49Very low33 Ų3367 Ų6713%0.12535%0.345CS..G310 helixtrans-84.123.3179.2-53.6-179.563.1-141.2-16.3114.4L1182 G1183 P1231 I1244 E1298 I1299 V1303L1182-R1301 PolarHBondContact O-NH2 2.86Å; G1183-R1301 PolarHBondContact O-NH2 3.21Å; P1231-R1301 VanDerWaalsContact CD-CZ 3.49Å; I1244-R1301 HydrophobicContact CG2-CG 3.67Å; E1298-R1301 VanDerWaalsContact O-CB 3.28Å; E1298-R1301 WeakPolarHBondContact O-CB 3.22Å; E1298-R1301 PolarHBondContact O-N 3.1Å; E1298-R1301 WeakPolarHBondContact OE1-CD 3.3Å; E1298-R1301 IonicContact OE1-CZ 2.67Å; E1298-R1301 IonicContact OE1-NE 3.22Å; E1298-R1301 IonicContact OE1-NH1 3.81Å; E1298-R1301 PolarHBondContact OE1-NH1 2.94Å; E1298-R1301 IonicContact OE2-NH1 3.49Å; I1299-R1301 VanDerWaalsContact C-N 3.25Å; R1301-V1303 PolarHBondContact O-N 3.38Å
1302V43.5Very low47.1Very low14 Ų1474.8 Ų74.89%0.08538%0.378CS..  trans-75.965.4-171.1157.80000111.3Y1247 I1299 F1300 Q1304 L1390 P1394Y1247-V1302 HydrophobicContact CE1-CB 4.3Å; Y1247-V1302 HydrophobicContact CE1-CG1 4.47Å; Y1247-V1302 WeakPolarHBondContact CE1-O 3.23Å; Y1247-V1302 PolarHBondContact OH-O 3.2Å; I1299-V1302 HydrophobicContact CG2-CG2 4.23Å; I1299-V1302 WeakPolarHBondContact O-CG2 3.31Å; F1300-V1302 PolarHBondContact O-N 3.37Å; V1302-Q1304 PolarHBondContact O-N 3.05Å; V1302-Q1304 VanDerWaalsContact O-N 3.09Å; V1302-L1390 HydrophobicContact CB-CD1 4.42Å; V1302-L1390 HydrophobicContact CG1-CD1 3.39Å; V1302-L1390 HydrophobicContact CG1-CD2 4.04Å; V1302-L1390 HydrophobicContact CG1-CG 4.33Å; V1302-P1394 HydrophobicContact CB-CG 4.33Å; V1302-P1394 HydrophobicContact CG1-CG 3.52Å; V1302-P1394 HydrophobicContact CG2-CG 4.13Å
1303V35.7Very low45Very low58 Ų5879.5 Ų79.535%0.35241%0.405SS..  trans-60.2114.3176.5177.30000109L1182 R1301 L1305L1182-V1303 HydrophobicContact CB-CG2 4.19Å; R1301-V1303 PolarHBondContact O-N 3.38Å; V1303-L1305 PolarHBondContact O-N 3.29Å
1304Q31.6Very low42.7Very low40 Ų4086.2 Ų86.219%0.18744%0.441CS..  trans-7299.3173.2-175177-30.300109V1302 C1306 S1391 L1392V1302-Q1304 PolarHBondContact O-N 3.05Å; V1302-Q1304 VanDerWaalsContact O-N 3.09Å; Q1304-C1306 HydrophobicContact CG-CB 4.11Å; Q1304-C1306 PolarHBondContact NE2-SG 3.06Å; Q1304-C1306 PolarHBondContact O-N 2.9Å; Q1304-S1391 PolarHBondContact NE2-OG 3.22Å; Q1304-S1391 PolarHBondContact OE1-OG 3.21Å; Q1304-L1392 HydrophobicContact CG-CB 4.42Å; Q1304-L1392 VanDerWaalsContact OE1-N 3.12Å
1305L29.6Very low40.6Very low126 Ų12692.4 Ų92.466%0.6647%0.474SS*.  trans-64.494.4155.4-76.2172.8000106.9V1303 D1307V1303-L1305 PolarHBondContact O-N 3.29Å; L1305-D1307 PolarHBondContact O-N 3.16Å; L1305-D1307 VanDerWaalsContact O-N 3.15Å
1306C27.3Very low38.7Very low67 Ų6794.7 Ų94.745%0.45349%0.491SS..  trans-85.185-178.3-1590000109.4Q1304 S1308Q1304-C1306 HydrophobicContact CG-CB 4.11Å; Q1304-C1306 PolarHBondContact NE2-SG 3.06Å; Q1304-C1306 PolarHBondContact O-N 2.9Å; C1306-S1308 VanDerWaalsContact C-N 3.35Å; C1306-S1308 PolarHBondContact O-N 2.85Å; C1306-S1308 PolarHBondContact O-OG 3.29Å
1307D27.4Very low36.8Very low152 Ų152105 Ų10581%0.81353%0.53SS*.  trans-5899.7167.9-74-36.1000108.8L1305 E1309L1305-D1307 PolarHBondContact O-N 3.16Å; L1305-D1307 VanDerWaalsContact O-N 3.15Å; D1307-E1309 VanDerWaalsContact C-N 3.31Å; D1307-E1309 PolarHBondContact O-N 3.15Å
1308S27.1Very low34.8Very low98 Ų98108.6 Ų108.669%0.68556%0.56SS**  trans-89.567.5-166.7-600000110.6C1306C1306-S1308 VanDerWaalsContact C-N 3.35Å; C1306-S1308 PolarHBondContact O-N 2.85Å; C1306-S1308 PolarHBondContact O-OG 3.29Å
1309E29.6Very low33.2Very low189 Ų189114.8 Ų114.888%0.88359%0.594SS**  trans-74.2153165.3-68.1-155.7143.400111.3D1307D1307-E1309 VanDerWaalsContact C-N 3.31Å; D1307-E1309 PolarHBondContact O-N 3.15Å
1310Q28.3Very low31.8Very low177 Ų177121 Ų12183%0.82763%0.628SS**  trans-98.8133.7-154.6-60.4165.2-32.900112.8
1311Q29.8Very low30.2Very low194 Ų194125.5 Ų125.591%0.90766%0.66SS**  trans-136.9109.7144.6-71.3-164-15.600110.4
1312Q27.7Very low29.3Very low186 Ų186130.8 Ų130.887%0.86969%0.69SS**  trans-117.3147.5154.5-90.6-170-35.700107.4
1313N27.6Very low28.7Very low141 Ų141138.2 Ų138.275%0.75473%0.729SS**  trans99122-164.7-66.921.9000111.4
1314D28.6Very low28.3Very low142 Ų142140.3 Ų140.376%0.75975%0.746SS**  cis-139.4176.512.8-83.4-49.2000113.6
1315N29.1Very low28.2Very low143 Ų143142.4 Ų142.477%0.76577%0.765SS**  trans-76.8159.2177.7-68.5-70.1000113.1
1316N26.2Very low28.3Very low142 Ų142145.6 Ų145.676%0.75977%0.768SS**  trans70.4114.6173.8-47.7-42.5000115.3
1317Y28.6Very low28.4Very low236 Ų236146.7 Ų146.793%0.92577%0.766SS**  -16015291.8-105.6-79.4000110.2
1318A27.2Very low28.4Very low76 Ų76143.2 Ų143.263%0.62875%0.747SS**  trans-93.8153.9170.900000110.2
1319N27.2Very low28.5Very low159 Ų159140.4 Ų140.485%0.8573%0.725SS**  trans63.7105177.8-47.7-26.9000114.9
1320D27.7Very low28.4Very low163 Ų163137 Ų13787%0.87271%0.709SS**  -150.5172.2107.7-138.9-30.9000111.5
1321S27Very low28.7Very low99 Ų99129.4 Ų129.469%0.69267%0.673SS**  trans-108.2160.1-169.759.10000113.9
1322D28.3Very low28.5Very low145 Ų145124.9 Ų124.978%0.77566%0.66SS**  trans61.8105.9161.7-159.515.8000118.9
1323L30.8Very low28.5Very low169 Ų169118.2 Ų118.289%0.88563%0.633SS**  trans-149.8117.8144-121.1171.8000111.5
1324S27.1Very low28.6Very low103 Ų103113.9 Ų113.972%0.7261%0.613SS**  trans-83118.3-171.363.80000114
1325S29.6Very low28.9Very low83 Ų83113.4 Ų113.458%0.5862%0.62SS**  trans-122.514.8166.961.50000113.5F1327S1325-F1327 WeakPolarHBondContact O-CD2 3.36Å; S1325-F1327 PolarHBondContact O-N 3.09Å
1326R31Very low28.9Very low194 Ų194107.5 Ų107.573%0.73259%0.593SS**  trans-69.595.8179.3-167.1-177.2-63176.52.7110.5L1328 L1386R1326-L1328 PolarHBondContact O-N 2.94Å; R1326-L1386 HydrophobicContact CG-CD2 3.79Å
1327F29.7Very low29.2Very low90 Ų90104.3 Ų104.340%0.39557%0.571SS.*  trans-64.788.5-176-75.6-72.4000113.4S1325 V1329 L1386 P1389 T1403S1325-F1327 WeakPolarHBondContact O-CD2 3.36Å; S1325-F1327 PolarHBondContact O-N 3.09Å; F1327-V1329 PolarHBondContact O-N 3.35Å; F1327-L1386 WeakPolarHBondContact O-CD2 3.41Å; F1327-P1389 HydrophobicContact CD2-CB 4.38Å; F1327-T1403 HydrophobicContact CD1-CG2 4.42Å; F1327-T1403 VanDerWaalsContact CD1-OG1 3.29Å; F1327-T1403 WeakPolarHBondContact CD1-OG1 3.26Å
1328L28.5Very low29.5Very low79 Ų7997.4 Ų97.441%0.41456%0.557SS.*  trans-85.294.3-165.5-149.8163.3000113R1326 H1330 P1384R1326-L1328 PolarHBondContact O-N 2.94Å; L1328-H1330 VanDerWaalsContact C-N 3.3Å; L1328-H1330 HydrophobicContact CD2-CB 4.4Å; L1328-H1330 PolarHBondContact O-N 3.11Å; L1328-P1384 HydrophobicContact CD2-CG 4.31Å
1329V28.7Very low29.8Very low39 Ų3996.8 Ų96.824%0.23655%0.545CS..  trans-74.976.3173.9-172.40000109.9F1327 R1331 P1384 P1387 R1408F1327-V1329 PolarHBondContact O-N 3.35Å; V1329-R1331 PolarHBondContact O-N 2.88Å; V1329-P1384 WeakPolarHBondContact O-CB 3.38Å; V1329-P1384 VanDerWaalsContact O-CG 3.3Å; V1329-P1384 WeakPolarHBondContact O-CG 3.48Å; V1329-P1387 HydrophobicContact CG2-CG 4.3Å; V1329-R1408 HydrophobicContact CG1-CG 4.47Å
1330H27.5Very low30.1Very low117 Ų11791.7 Ų91.754%0.54252%0.522SS..  trans-57.1101.6172.7-74.1-73.2000111L1328 R1408L1328-H1330 VanDerWaalsContact C-N 3.3Å; L1328-H1330 HydrophobicContact CD2-CB 4.4Å; L1328-H1330 PolarHBondContact O-N 3.11Å; H1330-R1408 VanDerWaalsContact N-NH1 3.13Å; H1330-R1408 WeakPolarHBondContact O-CD 3.35Å
1331R35.2Very low30.4Very low18 Ų1887.6 Ų87.67%0.06851%0.51CS..PPolyproline II helix-76.5125.8126.9-95-159.7-174.4146.4-7.5106.6E1263 E1264 V1329 W1383 P1384E1263-R1331 IonicContact OE2-CZ 2.7Å; E1263-R1331 IonicContact OE2-NH1 2.62Å; E1263-R1331 PolarHBondContact OE2-NH1 2.81Å; E1263-R1331 IonicContact OE2-NH2 2.67Å; E1264-R1331 IonicContact OE1-CZ 3.15Å; E1264-R1331 IonicContact OE1-NE 2.76Å; E1264-R1331 PolarHBondContact OE1-NE 2.97Å; E1264-R1331 IonicContact OE1-NH2 2.77Å; E1264-R1331 PolarHBondContact OE1-NH2 3.01Å; V1329-R1331 PolarHBondContact O-N 2.88Å; R1331-W1383 HydrophobicContact CB-CE3 4.28Å; R1331-W1383 HydrophobicContact CB-CZ3 4.35Å; R1331-W1383 HydrophobicContact CG-CZ3 4.25Å; R1331-P1384 HydrophobicContact CB-CB 4.37Å
1332P25.1Very low30.4Very low99 Ų9991.9 Ų91.964%0.64351%0.512SS*.PPolyproline II helixtrans-63.4132.5140.430.4-29.7000106.9
1333P28.4Very low30.7Very low46 Ų4688.6 Ų88.630%0.29950%0.497SS..PPolyproline II helixtrans-57.6144.2157.1-8.722.5000107.5S1335 W1337P1333-S1335 PolarHBondContact O-N 3.38Å; P1333-W1337 HydrophobicContact CB-CB 3.83Å
1334P30.1Very low30.8Very low50 Ų5084.1 Ų84.133%0.32547%0.473SS..PPolyproline II helixtrans-55.1142.4159.226.3-31.5000108R1267 G1336 W1337R1267-P1334 HydrophobicContact CG-CG 4.2Å; P1334-G1336 PolarHBondContact O-N 3.42Å; P1334-W1337 HydrophobicContact CG-CB 3.81Å; P1334-W1337 HydrophobicContact CG-CD2 3.98Å; P1334-W1337 HydrophobicContact CG-CE3 4.2Å; P1334-W1337 HydrophobicContact CG-CG 3.76Å; P1334-W1337 WeakPolarHBondContact O-CB 3.37Å; P1334-W1337 PolarHBondContact O-N 3.45Å
1335S33.5Very low30.9Very low131 Ų13183.4 Ų83.492%0.91646%0.458SS*.THydrogen-bonded Turntrans-55.3108.7-175.948.30000110.4P1333P1333-S1335 PolarHBondContact O-N 3.38Å
1336G29.7Very low30.8Very low19 Ų1983 Ų8320%0.19646%0.46CS..THydrogen-bonded Turntrans123.7-11.8-171.600000115.6P1334 T1339 V1343P1334-G1336 PolarHBondContact O-N 3.42Å; G1336-T1339 WeakPolarHBondContact CA-OG1 3.3Å; G1336-T1339 CarbonylContact O-C 3.08Å; G1336-T1339 PolarHBondContact O-OG1 3.07Å; G1336-V1343 VanDerWaalsContact O-CG2 3.23Å; G1336-V1343 WeakPolarHBondContact O-CG2 3.4Å
1337W32.8Very low30.8Very low76 Ų7680.2 Ų80.229%0.28846%0.455SS..SBendtrans-103.1-16.9-170.1-100.833.5000117.7E1263 L1266 P1333 P1334 T1339 S1340E1263-W1337 HydrophobicContact CB-CH2 4.14Å; E1263-W1337 HydrophobicContact CB-CZ3 3.73Å; E1263-W1337 HydrophobicContact CG-CH2 3.99Å; E1263-W1337 HydrophobicContact CG-CZ3 3.72Å; L1266-W1337 HydrophobicContact CB-CH2 3.46Å; L1266-W1337 VanDerWaalsContact CB-CH2 3.46Å; L1266-W1337 HydrophobicContact CB-CZ2 3.34Å; L1266-W1337 HydrophobicContact CD1-CH2 3.83Å; L1266-W1337 HydrophobicContact CD1-CZ2 3.67Å; L1266-W1337 HydrophobicContact CG-CH2 4.26Å; L1266-W1337 HydrophobicContact CG-CZ2 4.13Å; P1333-W1337 HydrophobicContact CB-CB 3.83Å; P1334-W1337 HydrophobicContact CG-CB 3.81Å; P1334-W1337 HydrophobicContact CG-CD2 3.98Å; P1334-W1337 HydrophobicContact CG-CE3 4.2Å; P1334-W1337 HydrophobicContact CG-CG 3.76Å; P1334-W1337 WeakPolarHBondContact O-CB 3.37Å; P1334-W1337 PolarHBondContact O-N 3.45Å; W1337-T1339 PolarHBondContact O-N 3.39Å; W1337-S1340 PolarHBondContact O-OG 2.88Å
1338S34.5Very low30.9Very low91 Ų9183.1 Ų83.164%0.63648%0.475SS*.THydrogen-bonded Turntrans-76.86157.451.90000112.2
1339T32.6Very low31Very low63 Ų6386 Ų8639%0.38749%0.49SS..THydrogen-bonded Turntrans-126.239.7-179.3490000111.2G1336 W1337 A1341 R1342 V1343G1336-T1339 WeakPolarHBondContact CA-OG1 3.3Å; G1336-T1339 CarbonylContact O-C 3.08Å; G1336-T1339 PolarHBondContact O-OG1 3.07Å; W1337-T1339 PolarHBondContact O-N 3.39Å; T1339-A1341 PolarHBondContact O-N 2.71Å; T1339-R1342 PolarHBondContact O-N 3.5Å; T1339-V1343 PolarHBondContact O-N 3.35Å
1340S34.6Very low31.1Very low52 Ų5290.2 Ų90.236%0.36452%0.519SS..THydrogen-bonded Turntrans-59.8-9.7175.6-590000114.4W1337W1337-S1340 PolarHBondContact O-OG 2.88Å
1341A33.4Very low31.2Very low76 Ų7691.5 Ų91.563%0.62853%0.53SS*.THydrogen-bonded Turntrans-84.41.916900000114.8T1339 S1369T1339-A1341 PolarHBondContact O-N 2.71Å; A1341-S1369 PolarHBondContact O-OG 2.87Å
1342R28.4Very low30.8Very low190 Ų19096 Ų9672%0.71756%0.564SS**THydrogen-bonded Turntrans-140.9-27.7-178.2-72.6-169.3175.4179.7-1.5116.5T1339 I1344 E1345T1339-R1342 PolarHBondContact O-N 3.5Å; R1342-I1344 PolarHBondContact O-N 2.75Å; R1342-I1344 VanDerWaalsContact O-N 3.07Å; R1342-E1345 PolarHBondContact O-N 3.47Å; R1342-E1345 VanDerWaalsContact O-N 3.15Å
1343V33.4Very low30.9Very low76 Ų76102 Ų10246%0.46158%0.58SS.*THydrogen-bonded Turntrans-76.23.7-172.3174.40000114.1G1336 T1339G1336-V1343 VanDerWaalsContact O-CG2 3.23Å; G1336-V1343 WeakPolarHBondContact O-CG2 3.4Å; T1339-V1343 PolarHBondContact O-N 3.35Å
1344I34.2Very low30.9Very low74 Ų74103 Ų10338%0.37960%0.6SS.*THydrogen-bonded Turntrans-86-15.5169.8-54.4-177.5000112R1342 L1368R1342-I1344 PolarHBondContact O-N 2.75Å; R1342-I1344 VanDerWaalsContact O-N 3.07Å; I1344-L1368 HydrophobicContact CG2-CB 4.36Å; I1344-L1368 HydrophobicContact CG2-CD2 4.02Å; I1344-L1368 WeakPolarHBondContact CG2-O 3.49Å
1345E28.6Very low31Very low89 Ų89107.2 Ų107.242%0.41662%0.624SS.*SBendtrans-101.7-2.3179.2-101.5174.6-167.400115.2R1342 L1367 L1368 S1369R1342-E1345 PolarHBondContact O-N 3.47Å; R1342-E1345 VanDerWaalsContact O-N 3.15Å; E1345-L1367 VanDerWaalsContact CG-O 3.3Å; E1345-L1367 WeakPolarHBondContact CG-O 3.3Å; E1345-L1367 VanDerWaalsContact OE1-C 3.29Å; E1345-L1368 PolarHBondContact OE1-N 2.95Å; E1345-S1369 VanDerWaalsContact CD-CB 3.46Å; E1345-S1369 PolarHBondContact OE1-N 3.32Å; E1345-S1369 PolarHBondContact OE2-OG 3.25Å
1346A26.9Very low30.8Very low75 Ų75106.6 Ų106.662%0.6262%0.615SS**  trans-105.542.2-160.100000116.5
1347E30.9Very low30.6Very low135 Ų135112.5 Ų112.563%0.63164%0.642SS**  trans-118.162.5163.2-74.7-162.9147.800111.3R1272R1272-E1347 IonicContact CZ-OE1 3.72Å; R1272-E1347 IonicContact NH2-OE1 3.66Å; R1272-E1347 PolarHBondContact NH2-OE1 3.39Å; R1272-E1347 IonicContact NH2-OE2 3.37Å
1348N31.5Very low30.1Very low151 Ų151113 Ų11381%0.80766%0.657SS**  trans-106.8141.4167.2-91.4-48.5000111.1
1349N31.5Very low29.7Very low138 Ų138114.6 Ų114.674%0.73866%0.663SS**  trans-51.5127.8-167.3-94.8-44.3000115.5N1351N1349-N1351 HydrophobicContact CB-CB 4.45Å; N1349-N1351 PolarHBondContact O-N 3.18Å
1350P31.1Very low29.3Very low128 Ų128121.2 Ų121.283%0.83169%0.686SS**SBendtrans-80.559.6163.835.7-34.9000110.5
1351N28Very low28.8Very low145 Ų145125.2 Ų125.278%0.77571%0.713SS**  trans-151.643.3-174-113.2-19.6000114.7N1349N1349-N1351 HydrophobicContact CB-CB 4.45Å; N1349-N1351 PolarHBondContact O-N 3.18Å
1352S28.3Very low28.3Very low112 Ų112130.2 Ų130.278%0.78372%0.72SS**  trans-149.3119.8159.253.40000111.7
1353F27.2Very low28.1Very low224 Ų224129.3 Ų129.398%0.98272%0.724SS**  trans-90.8127.9162.5-90.6-101000108
1354G28.6Very low27.6Very low69 Ų69132.9 Ų132.971%0.71174%0.74SS**  trans177.471.8-177.500000116.8
1355V31.5Very low27.1Very low138 Ų138134.3 Ų134.384%0.83676%0.757SS**  trans48.4141.1140.8-172.50000120.9
1356T28.3Very low27Very low117 Ų117137.2 Ų137.272%0.71878%0.775SS**  trans-39.6156.2168.849.70000115.5
1357D25.6Very low27Very low144 Ų144139.5 Ų139.577%0.7778%0.776SS**  cis-159.2-154.949.4-142.9-52.1000114.7
1358S23.6Very low27Very low86 Ų86137.3 Ų137.360%0.60177%0.768SS**  trans-119.2155.6-146.258.80000119.2
1359T25.3Very low26.7Very low125 Ų125132 Ų13277%0.76774%0.743SS**  trans80.7144.5162.577.10000120.5
1360K24.6Very low26.7Very low201 Ų201130.1 Ų130.187%0.87474%0.74SS**  trans59.2102168.2-64.2179-178.8173.50118.5
1361C23.1Very low27.1Very low136 Ų136128.8 Ų128.892%0.91973%0.73SS**  -154.8159.8127.5-130.90000111.9
1362K22.9Very low28.2Very low182 Ų182123.7 Ų123.779%0.79170%0.702SS**  trans-109154.8169.1-74.1-175.8175.2-178.10109.2
1363H24.3Very low29.5Very low170 Ų170121.9 Ų121.979%0.78768%0.684SS**SBendtrans76.9138.2172.4-66.4-83.1000118.8
1364N23.9Very low31Very low151 Ų151115 Ų11581%0.80765%0.652SS**  trans7866.8152.8-58.8-1.6000120.7
1365S23.8Very low32.6Very low105 Ų105114.1 Ų114.173%0.73463%0.63SS**  trans-147.2122.2143.556.50000107.8
1366L26.7Very low34.2Very low149 Ų149108.6 Ų108.678%0.7860%0.598SS**  60.7119.765.6-55.1164.1000111.7
1367L27.1Very low36.2Very low123 Ų123103 Ų10364%0.64456%0.564SS**  cis-166.2131.8-7.1-114.9167.1000108.3E1345E1345-L1367 VanDerWaalsContact CG-O 3.3Å; E1345-L1367 WeakPolarHBondContact CG-O 3.3Å; E1345-L1367 VanDerWaalsContact OE1-C 3.29Å
1368L30Very low38.2Very low90 Ų9096.2 Ų96.247%0.47153%0.527SS..SBendtrans94.120.2159.1-107.285.3000124.3I1344 E1345 K1529I1344-L1368 HydrophobicContact CG2-CB 4.36Å; I1344-L1368 HydrophobicContact CG2-CD2 4.02Å; I1344-L1368 WeakPolarHBondContact CG2-O 3.49Å; E1345-L1368 PolarHBondContact OE1-N 2.95Å; L1368-K1529 VanDerWaalsContact CD2-NZ 3.28Å
1369S25.1Very low40.3Very low39 Ų3992.1 Ų92.127%0.27350%0.499SS..SBendtrans-12720.5163.6111.90000117.6A1341 E1345A1341-S1369 PolarHBondContact O-OG 2.87Å; E1345-S1369 VanDerWaalsContact CD-CB 3.46Å; E1345-S1369 PolarHBondContact OE1-N 3.32Å; E1345-S1369 PolarHBondContact OE2-OG 3.25Å
1370S31Very low41.7Very low99 Ų9991.5 Ų91.569%0.69249%0.491SS*.SBendtrans-119.7147.7143.360.20000107.1
1371T40.9Very low43.1Very low99 Ų9983.8 Ų83.861%0.60746%0.457SS*.SBendcis-141.5-13.935.714.90000116.6D1373 E1584T1371-D1373 PolarHBondContact O-N 3.27Å; T1371-D1373 VanDerWaalsContact O-N 3.16Å; T1371-E1584 VanDerWaalsContact CB-OE2 3.3Å; T1371-E1584 WeakPolarHBondContact CB-OE2 3.25Å; T1371-E1584 PolarHBondContact N-OE1 2.88Å; T1371-E1584 VanDerWaalsContact OG1-CD 3.25Å; T1371-E1584 PolarHBondContact OG1-OE1 3.12Å; T1371-E1584 VanDerWaalsContact OG1-OE1 3.13Å; T1371-E1584 PolarHBondContact OG1-OE2 2.77Å
1372L49.8Very low44Very low38 Ų3881.2 Ų81.220%0.19944%0.441CS..  trans-69.7105.6-173-172.369.8000114.6W1374 L1522 I1583 E1584 L1587L1372-W1374 PolarHBondContact O-N 3.46Å; L1372-L1522 HydrophobicContact CD2-CD1 3.93Å; L1372-L1522 HydrophobicContact CD2-CD2 3.59Å; L1372-L1522 HydrophobicContact CD2-CG 4.44Å; L1372-I1583 HydrophobicContact CD2-CG2 4.44Å; L1372-E1584 HydrophobicContact CB-CG 3.85Å; L1372-E1584 WeakPolarHBondContact CB-OE1 3.49Å; L1372-E1584 HydrophobicContact CD1-CG 3.76Å; L1372-E1584 HydrophobicContact CG-CG 4.33Å; L1372-E1584 PolarHBondContact N-OE1 2.86Å; L1372-L1587 HydrophobicContact CD1-CD2 3.67Å
1373D56.4Low45Very low75 Ų7576.4 Ų76.440%0.40142%0.418SS..  trans-74.3117.9165.2168.238.5000111.3T1371 N1375 C1376T1371-D1373 PolarHBondContact O-N 3.27Å; T1371-D1373 VanDerWaalsContact O-N 3.16Å; D1373-N1375 VanDerWaalsContact C-N 3.28Å; D1373-N1375 PolarHBondContact O-N 3.44Å; D1373-N1375 PolarHBondContact OD1-N 3.14Å; D1373-N1375 PolarHBondContact OD1-ND2 3.26Å; D1373-C1376 VanDerWaalsContact O-CB 3.26Å; D1373-C1376 WeakPolarHBondContact O-CB 3.48Å; D1373-C1376 PolarHBondContact O-N 2.9Å; D1373-C1376 PolarHBondContact OD2-SG 3.16Å
1374W59Low45.9Very low79 Ų7969.3 Ų69.330%0.29939%0.386SS..THydrogen-bonded Turntrans-67.5-26.8-175.1-6475.4000113.1L1372 C1376 L1377 T1378 Y1519 L1522L1372-W1374 PolarHBondContact O-N 3.46Å; W1374-C1376 PolarHBondContact O-N 2.7Å; W1374-L1377 PolarHBondContact O-N 3.48Å; W1374-T1378 PolarHBondContact O-N 3.26Å; W1374-T1378 PolarHBondContact O-OG1 3.33Å; W1374-Y1519 HydrophobicContact CE3-CE2 4.29Å; W1374-Y1519 HydrophobicContact CZ3-CE2 4.34Å; W1374-L1522 HydrophobicContact CE3-CD2 3.81Å; W1374-L1522 HydrophobicContact CH2-CD1 4.22Å; W1374-L1522 HydrophobicContact CH2-CD2 3.57Å; W1374-L1522 HydrophobicContact CH2-CG 3.71Å; W1374-L1522 HydrophobicContact CZ2-CD2 4.31Å; W1374-L1522 HydrophobicContact CZ3-CD2 3.29Å; W1374-L1522 HydrophobicContact CZ3-CG 3.81Å
1375N62Low47.1Very low50 Ų5063.1 Ų63.127%0.26735%0.353SS..Hα-helixtrans-60-26.9175.9-60.3-71.6000111.8D1373 L1377 T1378 G1379 F1381D1373-N1375 VanDerWaalsContact C-N 3.28Å; D1373-N1375 PolarHBondContact O-N 3.44Å; D1373-N1375 PolarHBondContact OD1-N 3.14Å; D1373-N1375 PolarHBondContact OD1-ND2 3.26Å; N1375-L1377 VanDerWaalsContact C-N 3.28Å; N1375-L1377 PolarHBondContact O-N 3.36Å; N1375-T1378 WeakPolarHBondContact CA-OG1 3.26Å; N1375-T1378 PolarHBondContact O-N 2.88Å; N1375-G1379 CarbonylContact O-C 3.59Å; N1375-G1379 VanDerWaalsContact O-C 3.28Å; N1375-G1379 WeakPolarHBondContact O-CA 3.19Å; N1375-G1379 PolarHBondContact O-N 3.17Å; N1375-F1381 PolarHBondContact OD1-N 3.18Å
1376C64Low48.2Very low22 Ų2260.9 Ų60.915%0.14933%0.333CS..Hα-helixtrans-63.9-30.5175.2-63.50000113.1D1373 W1374 L1587 K1591D1373-C1376 VanDerWaalsContact O-CB 3.26Å; D1373-C1376 WeakPolarHBondContact O-CB 3.48Å; D1373-C1376 PolarHBondContact O-N 2.9Å; D1373-C1376 PolarHBondContact OD2-SG 3.16Å; W1374-C1376 PolarHBondContact O-N 2.7Å; C1376-L1587 HydrophobicContact CB-CD2 3.53Å; C1376-L1587 HydrophobicContact CB-CG 4.19Å; C1376-K1591 WeakPolarHBondContact SG-CE 3.42Å; C1376-K1591 PolarHBondContact SG-NZ 3.28Å
1377L70.3Confident49.2Very low0 Ų054.1 Ų54.10%030%0.298CS..Hα-helixtrans-87.4-43.3173-82167.2000112.2L1254 W1374 N1375 R1515 L1518 Y1519 L1522 I1583 L1587L1254-L1377 HydrophobicContact CD1-CB 4.4Å; L1254-L1377 WeakPolarHBondContact CD1-O 3.44Å; L1254-L1377 WeakPolarHBondContact CG-O 3.32Å; W1374-L1377 PolarHBondContact O-N 3.48Å; N1375-L1377 VanDerWaalsContact C-N 3.28Å; N1375-L1377 PolarHBondContact O-N 3.36Å; L1377-R1515 HydrophobicContact CD2-CG 4.2Å; L1377-R1515 WeakPolarHBondContact O-CD 3.41Å; L1377-R1515 WeakPolarHBondContact O-CG 3.27Å; L1377-R1515 PolarHBondContact O-NE 3.46Å; L1377-L1518 HydrophobicContact CD2-CB 3.86Å; L1377-Y1519 HydrophobicContact CB-CD2 4.48Å; L1377-Y1519 HydrophobicContact CD1-CD2 4.36Å; L1377-L1522 HydrophobicContact CD1-CD2 3.55Å; L1377-I1583 HydrophobicContact CD1-CG2 4.33Å; L1377-L1587 HydrophobicContact CD1-CD2 4.47Å; L1377-L1587 HydrophobicContact CD2-CD1 3.75Å; L1377-L1587 HydrophobicContact CD2-CD2 4.34Å; L1377-L1587 HydrophobicContact CG-CD1 4.03Å; L1377-L1587 HydrophobicContact CG-CD2 3.79Å
1378T69.2Low50.2Low2 Ų253.1 Ų53.11%0.01229%0.29CS..Hα-helixtrans-87.2-17.7-172500000114.6L1252 R1253 L1254 I1259 W1374 N1375 F1381 Y1519L1252-T1378 CarbonylContact C-O 3.55Å; L1252-T1378 WeakPolarHBondContact CA-O 3.46Å; R1253-T1378 PolarHBondContact N-O 3.1Å; L1254-T1378 HydrophobicContact CD1-CG2 4.15Å; I1259-T1378 HydrophobicContact CD1-CG2 4.05Å; I1259-T1378 HydrophobicContact CG1-CG2 4.36Å; W1374-T1378 PolarHBondContact O-N 3.26Å; W1374-T1378 PolarHBondContact O-OG1 3.33Å; N1375-T1378 WeakPolarHBondContact CA-OG1 3.26Å; N1375-T1378 PolarHBondContact O-N 2.88Å; T1378-F1381 HydrophobicContact CG2-CE1 3.87Å; T1378-F1381 HydrophobicContact CG2-CZ 3.98Å; T1378-F1381 WeakPolarHBondContact OG1-CD1 3.41Å; T1378-F1381 WeakPolarHBondContact OG1-CE1 3.5Å; T1378-Y1519 HydrophobicContact CG2-CE2 4.18Å
1379G66.3Low50.9Low0 Ų052.3 Ų52.30%029%0.29CS..  trans80.9163.7-154.200000111.6H1251 N1375 F1381H1251-G1379 WeakPolarHBondContact O-CA 3.44Å; N1375-G1379 CarbonylContact O-C 3.59Å; N1375-G1379 VanDerWaalsContact O-C 3.28Å; N1375-G1379 WeakPolarHBondContact O-CA 3.19Å; N1375-G1379 PolarHBondContact O-N 3.17Å; G1379-F1381 WeakPolarHBondContact O-CD1 3.47Å; G1379-F1381 PolarHBondContact O-N 3.48Å
1380D56Low51.9Low111 Ų11152.4 Ų52.459%0.59429%0.287SS*.SBendtrans-67.2118.2179.2-61.9-60.8000110.9H1251H1251-D1380 WeakPolarHBondContact CB-O 3.44Å
1381F53.8Low52.6Low40 Ų4052.3 Ų52.318%0.17529%0.286CS..  trans-152.3125.3179.678.7-46.2000112.9L1252 I1259 N1375 T1378 G1379 W1383 I1385L1252-F1381 HydrophobicContact CD2-CB 4.27Å; L1252-F1381 HydrophobicContact CD2-CD2 3.96Å; L1252-F1381 HydrophobicContact CD2-CG 4.13Å; I1259-F1381 HydrophobicContact CG2-CE2 4.21Å; I1259-F1381 HydrophobicContact CG2-CZ 4.45Å; N1375-F1381 PolarHBondContact OD1-N 3.18Å; T1378-F1381 HydrophobicContact CG2-CE1 3.87Å; T1378-F1381 HydrophobicContact CG2-CZ 3.98Å; T1378-F1381 WeakPolarHBondContact OG1-CD1 3.41Å; T1378-F1381 WeakPolarHBondContact OG1-CE1 3.5Å; G1379-F1381 WeakPolarHBondContact O-CD1 3.47Å; G1379-F1381 PolarHBondContact O-N 3.48Å; F1381-W1383 HydrophobicContact CD2-CZ2 4.49Å; F1381-W1383 AromaticContact CE2-CE2 3.63Å; F1381-W1383 AromaticContact CE2-CZ2 3.63Å; F1381-W1383 HydrophobicContact CE2-CZ2 3.63Å; F1381-W1383 AromaticContact CE2-NE1 3.32Å; F1381-W1383 VanDerWaalsContact CE2-NE1 3.32Å; F1381-W1383 HydrophobicContact CZ-CZ2 4.35Å; F1381-W1383 AromaticContact CZ-NE1 3.4Å; F1381-I1385 HydrophobicContact CD2-CD1 3.97Å; F1381-I1385 HydrophobicContact CD2-CG1 3.86Å; F1381-I1385 HydrophobicContact CD2-CG2 4.35Å; F1381-I1385 HydrophobicContact CE2-CD1 3.96Å; F1381-I1385 HydrophobicContact CE2-CG1 4.07Å
1382S42.2Very low52.5Low81 Ų8152.2 Ų52.257%0.56628%0.282SS*.PPolyproline II helixtrans-81.7136.9173.461.30000111P1384 I1385S1382-P1384 CarbonylContact O-C 3.59Å; S1382-I1385 PolarHBondContact O-N 3.22Å
1383W42.7Very low52.1Low82 Ų8255.5 Ų55.531%0.31131%0.305SS..SBendtrans-80136.8167.6-85.993.5000112.2I1259 E1263 R1331 F1381 I1385I1259-W1383 HydrophobicContact CG2-CZ2 4.34Å; E1263-W1383 WeakPolarHBondContact OE1-CZ2 3.41Å; E1263-W1383 PolarHBondContact OE1-NE1 2.94Å; E1263-W1383 WeakPolarHBondContact OE2-CH2 3.08Å; E1263-W1383 WeakPolarHBondContact OE2-CZ2 3.43Å; R1331-W1383 HydrophobicContact CB-CE3 4.28Å; R1331-W1383 HydrophobicContact CB-CZ3 4.35Å; R1331-W1383 HydrophobicContact CG-CZ3 4.25Å; F1381-W1383 HydrophobicContact CD2-CZ2 4.49Å; F1381-W1383 AromaticContact CE2-CE2 3.63Å; F1381-W1383 AromaticContact CE2-CZ2 3.63Å; F1381-W1383 HydrophobicContact CE2-CZ2 3.63Å; F1381-W1383 AromaticContact CE2-NE1 3.32Å; F1381-W1383 VanDerWaalsContact CE2-NE1 3.32Å; F1381-W1383 HydrophobicContact CZ-CZ2 4.35Å; F1381-W1383 AromaticContact CZ-NE1 3.4Å; W1383-I1385 HydrophobicContact CD2-CG1 4.43Å; W1383-I1385 HydrophobicContact CE3-CG1 4.32Å; W1383-I1385 HydrophobicContact CH2-CD1 3.54Å; W1383-I1385 HydrophobicContact CH2-CG1 3.26Å; W1383-I1385 HydrophobicContact CZ2-CD1 3.65Å; W1383-I1385 HydrophobicContact CZ2-CG1 3.46Å; W1383-I1385 VanDerWaalsContact CZ2-CG1 3.46Å; W1383-I1385 HydrophobicContact CZ3-CD1 4.45Å; W1383-I1385 HydrophobicContact CZ3-CG1 3.74Å
1384P43.3Very low51.1Low20 Ų2053.5 Ų53.513%0.1330%0.296CS..SBendcis-74.1146.2-5.132.8-35.4000112.6L1328 V1329 R1331 S1382 L1386L1328-P1384 HydrophobicContact CD2-CG 4.31Å; V1329-P1384 WeakPolarHBondContact O-CB 3.38Å; V1329-P1384 VanDerWaalsContact O-CG 3.3Å; V1329-P1384 WeakPolarHBondContact O-CG 3.48Å; R1331-P1384 HydrophobicContact CB-CB 4.37Å; S1382-P1384 CarbonylContact O-C 3.59Å; P1384-L1386 WeakPolarHBondContact O-CB 3.4Å; P1384-L1386 PolarHBondContact O-N 3.41Å
1385I49.4Very low50.1Low21 Ų2154.2 Ų54.211%0.10832%0.319CS..  trans-52.4109.2178.4-34.8-173.1000108.3F1249 F1381 S1382 W1383 P1387F1249-I1385 HydrophobicContact CD1-CG2 3.46Å; F1249-I1385 VanDerWaalsContact CD1-CG2 3.46Å; F1249-I1385 HydrophobicContact CE1-CB 4.15Å; F1249-I1385 HydrophobicContact CE1-CG2 3.45Å; F1249-I1385 VanDerWaalsContact CE1-CG2 3.45Å; F1249-I1385 HydrophobicContact CZ-CG2 4.5Å; F1381-I1385 HydrophobicContact CD2-CD1 3.97Å; F1381-I1385 HydrophobicContact CD2-CG1 3.86Å; F1381-I1385 HydrophobicContact CD2-CG2 4.35Å; F1381-I1385 HydrophobicContact CE2-CD1 3.96Å; F1381-I1385 HydrophobicContact CE2-CG1 4.07Å; S1382-I1385 PolarHBondContact O-N 3.22Å; W1383-I1385 HydrophobicContact CD2-CG1 4.43Å; W1383-I1385 HydrophobicContact CE3-CG1 4.32Å; W1383-I1385 HydrophobicContact CH2-CD1 3.54Å; W1383-I1385 HydrophobicContact CH2-CG1 3.26Å; W1383-I1385 HydrophobicContact CZ2-CD1 3.65Å; W1383-I1385 HydrophobicContact CZ2-CG1 3.46Å; W1383-I1385 VanDerWaalsContact CZ2-CG1 3.46Å; W1383-I1385 HydrophobicContact CZ3-CD1 4.45Å; W1383-I1385 HydrophobicContact CZ3-CG1 3.74Å; I1385-P1387 VanDerWaalsContact O-CD 3.29Å; I1385-P1387 WeakPolarHBondContact O-CD 3.48Å
1386L46.6Very low48.8Very low58 Ų5857.3 Ų57.330%0.30433%0.332SS..  trans-104.799.7-164.9-122.5165.5000106.6R1326 F1327 P1384R1326-L1386 HydrophobicContact CG-CD2 3.79Å; F1327-L1386 WeakPolarHBondContact O-CD2 3.41Å; P1384-L1386 WeakPolarHBondContact O-CB 3.4Å; P1384-L1386 PolarHBondContact O-N 3.41Å
1387P48.7Very low47.4Very low8 Ų862.5 Ų62.55%0.05235%0.349CS..PPolyproline II helixtrans-74135.6-166.830.7-36.4000110.7R1248 F1249 V1329 I1385R1248-P1387 HydrophobicContact CG-CB 3.65Å; R1248-P1387 VanDerWaalsContact CZ-CB 3.48Å; R1248-P1387 PolarHBondContact NH1-O 3.3Å; R1248-P1387 WeakPolarHBondContact O-CA 3.44Å; F1249-P1387 HydrophobicContact CD1-CB 4.31Å; F1249-P1387 HydrophobicContact CE1-CB 3.63Å; F1249-P1387 HydrophobicContact CZ-CB 4.03Å; V1329-P1387 HydrophobicContact CG2-CG 4.3Å; I1385-P1387 VanDerWaalsContact O-CD 3.29Å; I1385-P1387 WeakPolarHBondContact O-CD 3.48Å
1388E47.8Very low45.8Very low102 Ų10267.7 Ų67.748%0.47738%0.381SS..PPolyproline II helixtrans-56.9123.1-173-74.7-157.6115.300112.1R1248 P1250 L1390R1248-E1388 VanDerWaalsContact NH1-C 3.28Å; R1248-E1388 PolarHBondContact NH1-O 2.64Å; R1248-E1388 PolarHBondContact O-N 3.46Å; P1250-E1388 VanDerWaalsContact CG-OE2 3.32Å; P1250-E1388 WeakPolarHBondContact CG-OE2 3.3Å; E1388-L1390 PolarHBondContact O-N 3.25Å
1389P45.5Very low44.4Very low73 Ų7370.2 Ų70.247%0.47439%0.394SS..PPolyproline II helixtrans-63.7129.1-17126-34000111.8F1327F1327-P1389 HydrophobicContact CD2-CB 4.38Å
1390L44.9Very low42.9Very low41 Ų4178.2 Ų78.222%0.21544%0.436CS..PPolyproline II helixtrans-67.2130.6178.5-54.7168000109.7Y1247 V1302 E1388 L1392Y1247-L1390 HydrophobicContact CE1-CD2 3.51Å; V1302-L1390 HydrophobicContact CB-CD1 4.42Å; V1302-L1390 HydrophobicContact CG1-CD1 3.39Å; V1302-L1390 HydrophobicContact CG1-CD2 4.04Å; V1302-L1390 HydrophobicContact CG1-CG 4.33Å; E1388-L1390 PolarHBondContact O-N 3.25Å; L1390-L1392 VanDerWaalsContact C-N 3.32Å; L1390-L1392 PolarHBondContact O-N 3.1Å
1391S45.1Very low42Very low96 Ų9675.2 Ų75.267%0.67142%0.422SS*.SBendtrans-68.8-30.7-177.673.10000112.9Q1304Q1304-S1391 PolarHBondContact NE2-OG 3.22Å; Q1304-S1391 PolarHBondContact OE1-OG 3.21Å
1392L40.6Very low41.3Very low98 Ų9876.6 Ų76.651%0.51344%0.435SS..SBendtrans-133.6144.2156.5-78.993.3000110.9Q1304 L1390Q1304-L1392 HydrophobicContact CG-CB 4.42Å; Q1304-L1392 VanDerWaalsContact OE1-N 3.12Å; L1390-L1392 VanDerWaalsContact C-N 3.32Å; L1390-L1392 PolarHBondContact O-N 3.1Å
1393P40.3Very low41.4Very low106 Ų10674.3 Ų74.369%0.68842%0.417SS*.  trans-72.2140.5164.631.7-33.1000110.4
1394P36.5Very low41.3Very low34 Ų3473.3 Ų73.322%0.22143%0.427CS..  trans-73.2138.2-179.633.2-37.9000110.4V1302 E1396V1302-P1394 HydrophobicContact CB-CG 4.33Å; V1302-P1394 HydrophobicContact CG1-CG 3.52Å; V1302-P1394 HydrophobicContact CG2-CG 4.13Å; P1394-E1396 PolarHBondContact O-N 3.47Å
1395A37.1Very low41.2Very low94 Ų9479.5 Ų79.578%0.77745%0.448SS*.G310 helixtrans-61.6-31.2-177.800000113.6
1396E34.4Very low41.1Very low114 Ų11479.8 Ų79.853%0.53345%0.448SS..G310 helixtrans-90.4-18.4-166.2-55.8-171.6143.700114.6P1394P1394-E1396 PolarHBondContact O-N 3.47Å
1397Y35.8Very low41.5Very low132 Ų13278 Ų7852%0.51844%0.44SS..G310 helixtrans-118.264.8170.6-78.8-79.2000110.5K1230 L1399K1230-Y1397 PolarHBondContact NZ-OH 3.06Å; Y1397-L1399 PolarHBondContact O-N 2.95Å
1398V36.3Very low41.9Very low109 Ų10981.2 Ų81.266%0.66145%0.451SS*.  trans-50.8114.1156.5174.50000107.8L1400V1398-L1400 PolarHBondContact O-N 3.4Å
1399L38.7Very low43Very low54 Ų5478 Ų7828%0.28344%0.439SS..  trans-67.995.3178.2-54.9179.2000108.7I1299 Y1397 T1401 P1402 T1403 W1406I1299-L1399 HydrophobicContact CG1-CD2 4.5Å; I1299-L1399 HydrophobicContact CG2-CD1 4.45Å; I1299-L1399 HydrophobicContact CG2-CD2 3.43Å; I1299-L1399 VanDerWaalsContact CG2-CD2 3.43Å; Y1397-L1399 PolarHBondContact O-N 2.95Å; L1399-T1401 WeakPolarHBondContact CB-O 3.3Å; L1399-T1401 CarbonylContact O-C 3.43Å; L1399-T1401 PolarHBondContact O-N 3.32Å; L1399-P1402 VanDerWaalsContact O-CD 3.3Å; L1399-P1402 WeakPolarHBondContact O-CD 3.38Å; L1399-P1402 VanDerWaalsContact O-N 3.09Å; L1399-T1403 HydrophobicContact CD1-CG2 3.93Å; L1399-W1406 HydrophobicContact CD1-CZ2 3.85Å
1400L34.8Very low44.6Very low168 Ų16874.5 Ų74.588%0.8842%0.416SS*.SBendtrans-55.4-21.6177.5-66.6174.1000112.5V1398V1398-L1400 PolarHBondContact O-N 3.4Å
1401T37.6Very low46.2Very low49 Ų4973.3 Ų73.330%0.30141%0.411SS..SBendtrans-109.3106.9150.748.50000110L1399 W1406L1399-T1401 WeakPolarHBondContact CB-O 3.3Å; L1399-T1401 CarbonylContact O-C 3.43Å; L1399-T1401 PolarHBondContact O-N 3.32Å; T1401-W1406 VanDerWaalsContact O-CD1 3.28Å; T1401-W1406 PolarHBondContact O-NE1 3.27Å
1402P39.4Very low47.4Very low69 Ų6970.4 Ų70.445%0.44839%0.391SS..  trans-51155169.8-27.132.9000111.3L1399 A1404 Y1405L1399-P1402 VanDerWaalsContact O-CD 3.3Å; L1399-P1402 WeakPolarHBondContact O-CD 3.38Å; L1399-P1402 VanDerWaalsContact O-N 3.09Å; P1402-A1404 PolarHBondContact O-N 3.18Å; P1402-Y1405 HydrophobicContact CB-CD2 4.01Å; P1402-Y1405 HydrophobicContact CB-CE2 4.44Å; P1402-Y1405 HydrophobicContact CG-CD2 4.06Å; P1402-Y1405 HydrophobicContact CG-CE2 4.28Å; P1402-Y1405 WeakPolarHBondContact O-CA 3.45Å; P1402-Y1405 WeakPolarHBondContact O-CB 3.48Å; P1402-Y1405 PolarHBondContact O-N 3.13Å
1403T43.6Very low48.8Very low32 Ų3266 Ų6620%0.19637%0.367CS..G310 helixtrans-51.1-32.6-172.9460000114.2F1327 L1399 Y1405 W1406F1327-T1403 HydrophobicContact CD1-CG2 4.42Å; F1327-T1403 VanDerWaalsContact CD1-OG1 3.29Å; F1327-T1403 WeakPolarHBondContact CD1-OG1 3.26Å; L1399-T1403 HydrophobicContact CD1-CG2 3.93Å; T1403-Y1405 VanDerWaalsContact C-N 3.25Å; T1403-Y1405 PolarHBondContact O-N 3.29Å; T1403-W1406 HydrophobicContact CG2-CZ2 3.9Å; T1403-W1406 PolarHBondContact O-N 3.42Å
1404A40.6Very low50.5Low62 Ų6261.9 Ų61.951%0.51234%0.339SS..G310 helixtrans-56.4-34172.300000114.3P1402 R1408P1402-A1404 PolarHBondContact O-N 3.18Å; A1404-R1408 PolarHBondContact O-NH2 2.82Å
1405Y41.3Very low52.1Low150 Ų15067.5 Ų67.559%0.58836%0.361SS*.G310 helixtrans-94.81.1-178.2-61-85.1000114.3P1402 T1403 R1416P1402-Y1405 HydrophobicContact CB-CD2 4.01Å; P1402-Y1405 HydrophobicContact CB-CE2 4.44Å; P1402-Y1405 HydrophobicContact CG-CD2 4.06Å; P1402-Y1405 HydrophobicContact CG-CE2 4.28Å; P1402-Y1405 WeakPolarHBondContact O-CA 3.45Å; P1402-Y1405 WeakPolarHBondContact O-CB 3.48Å; P1402-Y1405 PolarHBondContact O-N 3.13Å; T1403-Y1405 VanDerWaalsContact C-N 3.25Å; T1403-Y1405 PolarHBondContact O-N 3.29Å; Y1405-R1416 PolarHBondContact O-NH1 3.17Å; Y1405-R1416 PolarHBondContact O-NH2 2.84Å
1406W48.2Very low53.4Low26 Ų2666.6 Ų66.610%0.09834%0.337CS..SBendtrans-60.5142.6173.7-74.823.8000110.1L1296 I1299 F1300 L1399 T1401 T1403 R1408L1296-W1406 HydrophobicContact CD1-CD2 4.21Å; L1296-W1406 HydrophobicContact CD1-CE3 3.92Å; L1296-W1406 HydrophobicContact CD1-CG 4.49Å; L1296-W1406 HydrophobicContact CG-CE3 4.44Å; I1299-W1406 HydrophobicContact CB-CH2 3.84Å; I1299-W1406 HydrophobicContact CB-CZ2 3.99Å; I1299-W1406 HydrophobicContact CD1-CD2 4.36Å; I1299-W1406 HydrophobicContact CD1-CH2 4.09Å; I1299-W1406 HydrophobicContact CD1-CZ2 3.72Å; I1299-W1406 HydrophobicContact CG1-CZ2 4.43Å; I1299-W1406 HydrophobicContact CG2-CH2 3.53Å; I1299-W1406 HydrophobicContact CG2-CZ2 3.35Å; F1300-W1406 HydrophobicContact CE1-CZ3 4.09Å; L1399-W1406 HydrophobicContact CD1-CZ2 3.85Å; T1401-W1406 VanDerWaalsContact O-CD1 3.28Å; T1401-W1406 PolarHBondContact O-NE1 3.27Å; T1403-W1406 HydrophobicContact CG2-CZ2 3.9Å; T1403-W1406 PolarHBondContact O-N 3.42Å; W1406-R1408 VanDerWaalsContact O-CG 3.25Å; W1406-R1408 WeakPolarHBondContact O-CG 3.38Å; W1406-R1408 PolarHBondContact O-N 3.08Å
1407P53.4Low54.7Low22 Ų2261.2 Ų61.214%0.14331%0.312CS..  trans-72.4111.718031.5-32.1000109.6L1296 S1412 I1413L1296-P1407 HydrophobicContact CD1-CG 4.13Å; P1407-S1412 WeakPolarHBondContact CA-OG 3.21Å; P1407-S1412 VanDerWaalsContact CB-OG 3.28Å; P1407-S1412 WeakPolarHBondContact CB-OG 3.46Å; P1407-I1413 HydrophobicContact CB-CB 4.33Å; P1407-I1413 HydrophobicContact CB-CG1 3.57Å; P1407-I1413 HydrophobicContact CG-CG1 3.73Å
1408R57.9Low55.9Low75 Ų7557 Ų5728%0.28330%0.301SS..  trans-87.9-9.8-170.7-45.7-170.2-170.2-167.21.7114V1329 H1330 A1404 W1406 S1412V1329-R1408 HydrophobicContact CG1-CG 4.47Å; H1330-R1408 VanDerWaalsContact N-NH1 3.13Å; H1330-R1408 WeakPolarHBondContact O-CD 3.35Å; A1404-R1408 PolarHBondContact O-NH2 2.82Å; W1406-R1408 VanDerWaalsContact O-CG 3.25Å; W1406-R1408 WeakPolarHBondContact O-CG 3.38Å; W1406-R1408 PolarHBondContact O-N 3.08Å; R1408-S1412 PolarHBondContact N-OG 2.84Å
1409T70.3Confident56.6Low34 Ų3455.6 Ų55.621%0.20930%0.296CS..SBendtrans-143.2158.6176.262.40000110.1S1411 S1412 I1413T1409-S1411 PolarHBondContact O-N 2.97Å; T1409-S1412 PolarHBondContact N-OG 3.05Å; T1409-S1412 VanDerWaalsContact N-OG 3.1Å; T1409-S1412 WeakPolarHBondContact O-CA 3.49Å; T1409-S1412 WeakPolarHBondContact O-CB 3.45Å; T1409-S1412 PolarHBondContact O-N 2.68Å; T1409-S1412 PolarHBondContact O-OG 3.41Å; T1409-S1412 PolarHBondContact OG1-N 2.88Å; T1409-I1413 PolarHBondContact O-N 3.31Å; T1409-I1413 VanDerWaalsContact O-N 3.12Å
1410L78.9Confident56.9Low0 Ų059.9 Ų59.90%032%0.317CS..Hα-helixtrans-54.7-42174.3-168.165.6000111.4E1264 L1268 V1289 S1412 I1413 I1414 L1444 A1445 L1448E1264-L1410 HydrophobicContact CB-CB 4.29Å; E1264-L1410 HydrophobicContact CG-CB 4.05Å; E1264-L1410 VanDerWaalsContact OE2-CB 3.3Å; E1264-L1410 WeakPolarHBondContact OE2-CB 3.45Å; E1264-L1410 PolarHBondContact OE2-N 3.13Å; L1268-L1410 HydrophobicContact CD1-CD2 4.32Å; V1289-L1410 HydrophobicContact CG1-CD1 3.57Å; L1410-S1412 PolarHBondContact O-N 3.23Å; L1410-I1413 HydrophobicContact CD1-CD1 4.26Å; L1410-I1413 WeakPolarHBondContact O-CA 3.2Å; L1410-I1413 WeakPolarHBondContact O-CB 3.21Å; L1410-I1413 PolarHBondContact O-N 3.18Å; L1410-I1414 HydrophobicContact CG-CD1 4.16Å; L1410-I1414 WeakPolarHBondContact O-CG1 3.25Å; L1410-I1414 PolarHBondContact O-N 3.31Å; L1410-L1444 HydrophobicContact CD1-CD2 4.36Å; L1410-L1444 HydrophobicContact CD2-CB 4.24Å; L1410-L1444 HydrophobicContact CD2-CD2 4.18Å; L1410-L1444 HydrophobicContact CD2-CG 4.35Å; L1410-L1444 HydrophobicContact CG-CD2 4.23Å; L1410-A1445 HydrophobicContact CD2-CB 3.62Å; L1410-L1448 HydrophobicContact CD1-CD1 3.78Å
1411S78.8Confident57.3Low15 Ų1556.5 Ų56.511%0.10531%0.307CS..Hα-helixtrans-54-33.8173.6-32.10000113.2R1267 T1409 K1415 E1441R1267-S1411 PolarHBondContact NH2-OG 3.38Å; T1409-S1411 PolarHBondContact O-N 2.97Å; S1411-K1415 WeakPolarHBondContact O-CB 3.43Å; S1411-K1415 WeakPolarHBondContact O-CD 3.27Å; S1411-K1415 VanDerWaalsContact O-CG 3.22Å; S1411-K1415 WeakPolarHBondContact O-CG 3.48Å; S1411-K1415 PolarHBondContact O-N 3.27Å; S1411-K1415 VanDerWaalsContact O-N 3.12Å; S1411-E1441 WeakPolarHBondContact CA-OE1 3.39Å; S1411-E1441 WeakPolarHBondContact CB-OE1 3.45Å; S1411-E1441 WeakPolarHBondContact CB-OE2 3.4Å; S1411-E1441 PolarHBondContact OG-OE2 3.21Å
1412S70.3Confident57.1Low35 Ų3556.4 Ų56.425%0.24531%0.309CS..Hα-helixtrans-83.4-26.7176.669.60000113.5P1407 R1408 T1409 L1410 R1416P1407-S1412 WeakPolarHBondContact CA-OG 3.21Å; P1407-S1412 VanDerWaalsContact CB-OG 3.28Å; P1407-S1412 WeakPolarHBondContact CB-OG 3.46Å; R1408-S1412 PolarHBondContact N-OG 2.84Å; T1409-S1412 PolarHBondContact N-OG 3.05Å; T1409-S1412 VanDerWaalsContact N-OG 3.1Å; T1409-S1412 WeakPolarHBondContact O-CA 3.49Å; T1409-S1412 WeakPolarHBondContact O-CB 3.45Å; T1409-S1412 PolarHBondContact O-N 2.68Å; T1409-S1412 PolarHBondContact O-OG 3.41Å; T1409-S1412 PolarHBondContact OG1-N 2.88Å; L1410-S1412 PolarHBondContact O-N 3.23Å; S1412-R1416 PolarHBondContact O-N 3.27Å
1413I71.4Confident56.7Low5 Ų559.4 Ų59.43%0.02633%0.331CS..Hα-helixtrans-66.9-49.6168.3-51.5173.6000108.9F1260 V1289 Q1292 L1293 P1407 T1409 L1410 K1415 R1416 A1417F1260-I1413 HydrophobicContact CE1-CD1 4.32Å; F1260-I1413 HydrophobicContact CZ-CD1 4.21Å; V1289-I1413 HydrophobicContact CB-CG2 4.41Å; V1289-I1413 HydrophobicContact CG1-CB 4.34Å; V1289-I1413 HydrophobicContact CG1-CG2 3.9Å; V1289-I1413 HydrophobicContact CG2-CG2 4.23Å; Q1292-I1413 HydrophobicContact CB-CG2 3.52Å; Q1292-I1413 HydrophobicContact CG-CG2 4.13Å; L1293-I1413 HydrophobicContact CD2-CD1 3.7Å; L1293-I1413 HydrophobicContact CG-CD1 4.16Å; P1407-I1413 HydrophobicContact CB-CB 4.33Å; P1407-I1413 HydrophobicContact CB-CG1 3.57Å; P1407-I1413 HydrophobicContact CG-CG1 3.73Å; T1409-I1413 PolarHBondContact O-N 3.31Å; T1409-I1413 VanDerWaalsContact O-N 3.12Å; L1410-I1413 HydrophobicContact CD1-CD1 4.26Å; L1410-I1413 WeakPolarHBondContact O-CA 3.2Å; L1410-I1413 WeakPolarHBondContact O-CB 3.21Å; L1410-I1413 PolarHBondContact O-N 3.18Å; I1413-K1415 PolarHBondContact O-N 3.32Å; I1413-R1416 PolarHBondContact O-N 3.26Å; I1413-R1416 VanDerWaalsContact O-N 3.12Å; I1413-A1417 WeakPolarHBondContact O-CB 3.23Å; I1413-A1417 PolarHBondContact O-N 3.29Å
1414I74.8Confident56Low20 Ų2062.8 Ų62.810%0.10335%0.352CS..Hα-helixtrans-54.5-50.2176.7-66.6156.7000110.9L1285 V1289 L1410 R1416 A1417 C1418 E1441 L1444L1285-I1414 HydrophobicContact CD1-CG1 4.41Å; L1285-I1414 HydrophobicContact CD1-CG2 4.22Å; L1285-I1414 HydrophobicContact CD2-CG2 4.43Å; V1289-I1414 HydrophobicContact CG2-CG1 4.1Å; L1410-I1414 HydrophobicContact CG-CD1 4.16Å; L1410-I1414 WeakPolarHBondContact O-CG1 3.25Å; L1410-I1414 PolarHBondContact O-N 3.31Å; I1414-R1416 VanDerWaalsContact C-N 3.27Å; I1414-R1416 PolarHBondContact O-N 2.92Å; I1414-A1417 WeakPolarHBondContact O-CB 3.41Å; I1414-A1417 PolarHBondContact O-N 3.5Å; I1414-C1418 PolarHBondContact O-N 3.46Å; I1414-C1418 PolarHBondContact O-SG 2.97Å; I1414-C1418 VanDerWaalsContact O-SG 3.35Å; I1414-E1441 HydrophobicContact CD1-CB 4.3Å; I1414-E1441 HydrophobicContact CD1-CG 3.61Å; I1414-L1444 HydrophobicContact CD1-CD2 3.64Å; I1414-L1444 HydrophobicContact CG1-CD2 3.65Å
1415K71Confident55.3Low153 Ų15365.1 Ų65.167%0.66536%0.362SS*.Hα-helixtrans-59.2-36.7179-76.4168.8-175.2177.60112.7S1411 I1413 S1419S1411-K1415 WeakPolarHBondContact O-CB 3.43Å; S1411-K1415 WeakPolarHBondContact O-CD 3.27Å; S1411-K1415 VanDerWaalsContact O-CG 3.22Å; S1411-K1415 WeakPolarHBondContact O-CG 3.48Å; S1411-K1415 PolarHBondContact O-N 3.27Å; S1411-K1415 VanDerWaalsContact O-N 3.12Å; I1413-K1415 PolarHBondContact O-N 3.32Å; K1415-S1419 WeakPolarHBondContact O-CB 3.47Å; K1415-S1419 PolarHBondContact O-N 3.16Å; K1415-S1419 PolarHBondContact O-OG 3.41Å
1416R64.4Low54.8Low75 Ų7565.2 Ų65.228%0.28337%0.372SS..Hα-helixtrans-71.7-44.5174.2-179168.3-79135.3-4.4111.9Y1405 S1412 I1413 I1414 S1419 M1420Y1405-R1416 PolarHBondContact O-NH1 3.17Å; Y1405-R1416 PolarHBondContact O-NH2 2.84Å; S1412-R1416 PolarHBondContact O-N 3.27Å; I1413-R1416 PolarHBondContact O-N 3.26Å; I1413-R1416 VanDerWaalsContact O-N 3.12Å; I1414-R1416 VanDerWaalsContact C-N 3.27Å; I1414-R1416 PolarHBondContact O-N 2.92Å; R1416-S1419 WeakPolarHBondContact CA-OG 3.32Å; R1416-S1419 PolarHBondContact O-N 2.88Å; R1416-S1419 PolarHBondContact O-OG 2.95Å; R1416-M1420 VanDerWaalsContact O-CG 3.3Å; R1416-M1420 WeakPolarHBondContact O-CG 3.3Å; R1416-M1420 PolarHBondContact O-N 3.44Å
1417A60.1Low53.8Low1 Ų168.7 Ų68.71%0.00840%0.396CS..Hα-helixtrans-55.3-55.6175.600000111.8E1288 V1289 I1413 I1414 S1419 M1420 S1421E1288-A1417 HydrophobicContact CG-CB 3.6Å; V1289-A1417 HydrophobicContact CG2-CB 4.36Å; I1413-A1417 WeakPolarHBondContact O-CB 3.23Å; I1413-A1417 PolarHBondContact O-N 3.29Å; I1414-A1417 WeakPolarHBondContact O-CB 3.41Å; I1414-A1417 PolarHBondContact O-N 3.5Å; A1417-S1419 VanDerWaalsContact C-N 3.26Å; A1417-S1419 PolarHBondContact O-N 3.38Å; A1417-M1420 PolarHBondContact O-N 3.04Å; A1417-S1421 PolarHBondContact O-N 2.84Å; A1417-S1421 PolarHBondContact O-OG 3.04Å
1418C62.2Low52.6Low43 Ų4371.7 Ų71.729%0.29142%0.417SS..Hα-helixtrans-61.9-32.2178.5-59.80000112.7I1414 M1420 S1422I1414-C1418 PolarHBondContact O-N 3.46Å; I1414-C1418 PolarHBondContact O-SG 2.97Å; I1414-C1418 VanDerWaalsContact O-SG 3.35Å; C1418-M1420 PolarHBondContact O-N 3.09Å; C1418-S1422 PolarHBondContact O-N 2.74Å; C1418-S1422 PolarHBondContact O-OG 2.98Å; C1418-S1422 VanDerWaalsContact O-OG 3.05Å
1419S51.5Low51Low80 Ų8072.1 Ų72.156%0.55943%0.428SS*.Hα-helixtrans-69.1-13.6174.973.80000114.5K1415 R1416 A1417K1415-S1419 WeakPolarHBondContact O-CB 3.47Å; K1415-S1419 PolarHBondContact O-N 3.16Å; K1415-S1419 PolarHBondContact O-OG 3.41Å; R1416-S1419 WeakPolarHBondContact CA-OG 3.32Å; R1416-S1419 PolarHBondContact O-N 2.88Å; R1416-S1419 PolarHBondContact O-OG 2.95Å; A1417-S1419 VanDerWaalsContact C-N 3.26Å; A1417-S1419 PolarHBondContact O-N 3.38Å
1420M44.7Very low49.1Very low144 Ų14476.1 Ų76.171%0.70945%0.453SS*.Hα-helixtrans-101.2-27.9178-59.3-89.468.200112.7R1416 A1417 C1418R1416-M1420 VanDerWaalsContact O-CG 3.3Å; R1416-M1420 WeakPolarHBondContact O-CG 3.3Å; R1416-M1420 PolarHBondContact O-N 3.44Å; A1417-M1420 PolarHBondContact O-N 3.04Å; C1418-M1420 PolarHBondContact O-N 3.09Å
1421S43.2Very low46.7Very low97 Ų9783.8 Ų83.868%0.67850%0.5SS*.Hα-helixtrans-94.7-15.1-173.958.10000115.5A1417A1417-S1421 PolarHBondContact O-N 2.84Å; A1417-S1421 PolarHBondContact O-OG 3.04Å
1422S33.5Very low44.3Very low47 Ų4786.7 Ų86.733%0.32952%0.52SS..  trans-126.2116.1-179.663.90000113.8C1418 T1424C1418-S1422 PolarHBondContact O-N 2.74Å; C1418-S1422 PolarHBondContact O-OG 2.98Å; C1418-S1422 VanDerWaalsContact O-OG 3.05Å; S1422-T1424 PolarHBondContact O-N 3.35Å; S1422-T1424 PolarHBondContact OG-O 3.07Å
1423S30.5Very low42.6Very low131 Ų13189.9 Ų89.992%0.91654%0.535SS*.SBendtrans-74.6-1.7163.352.10000113.5
1424T29.3Very low41.2Very low104 Ų10496.4 Ų96.464%0.63857%0.57SS**SBendtrans-102.2111.9170.938.10000109.9S1422 L1426S1422-T1424 PolarHBondContact O-N 3.35Å; S1422-T1424 PolarHBondContact OG-O 3.07Å; T1424-L1426 PolarHBondContact O-N 3.35Å
1425P26.7Very low39.9Very low111 Ų11198.6 Ų98.672%0.72159%0.586SS**  trans-68.5122.4177.228-33000109.8T1427P1425-T1427 PolarHBondContact O-N 3.36Å
1426L29.3Very low39.2Very low152 Ų15296 Ų9680%0.79658%0.58SS**  trans-55.4112.4166.9-81.5165.2000108.8T1424 S1428T1424-L1426 PolarHBondContact O-N 3.35Å; L1426-S1428 PolarHBondContact O-N 3.01Å
1427T28.7Very low39Very low99 Ų9995.2 Ų95.261%0.60759%0.586SS**  trans-67.2103.6-178.743.10000109.6P1425 T1429P1425-T1427 PolarHBondContact O-N 3.36Å; T1427-T1429 PolarHBondContact O-N 3.49Å; T1427-T1429 PolarHBondContact O-OG1 3.4Å
1428S26.2Very low39.3Very low84 Ų8497.7 Ų97.759%0.58760%0.601SS**  trans-70.172.7175.962.10000111R221 L1426R221-S1428 PolarHBondContact NH1-OG 3.22Å; L1426-S1428 PolarHBondContact O-N 3.01Å
1429T25.6Very low39.8Very low85 Ų8598.1 Ų98.152%0.52160%0.6SS.*  trans-13346.2-17751.80000112.1T1427T1427-T1429 PolarHBondContact O-N 3.49Å; T1427-T1429 PolarHBondContact O-OG1 3.4Å
1430T29.9Very low41.4Very low118 Ų11898.8 Ų98.872%0.72460%0.597SS**  trans-142.3101.2157.431.40000109.4S1432T1430-S1432 PolarHBondContact O-N 3.27Å
1431T28Very low43.4Very low161 Ų16193.3 Ų93.399%0.98857%0.57SS**  trans-7957.9166.831.70000110.5
1432S28.5Very low45.6Very low76 Ų7688.7 Ų88.753%0.53154%0.538SS..  trans-153.4151.6173.154.30000110.4T1430T1430-S1432 PolarHBondContact O-N 3.27Å
1433N35.1Very low48.5Very low102 Ų10287.4 Ų87.455%0.54553%0.526SS..  trans69.749.2174.7-52.9-11.5000117.5S1435 N1436N1433-S1435 PolarHBondContact O-N 3.15Å; N1433-N1436 HydrophobicContact CB-CB 4.31Å; N1433-N1436 PolarHBondContact O-N 3.11Å
1434N42.3Very low51.5Low142 Ų14281.2 Ų81.276%0.75948%0.483SS*.Hα-helixtrans-51.7-33.2161.8-95.1-9.5000112.7N1436 S1437 T1438N1434-N1436 VanDerWaalsContact C-N 3.32Å; N1434-N1436 PolarHBondContact O-N 2.92Å; N1434-S1437 PolarHBondContact O-N 3.21Å; N1434-S1437 PolarHBondContact O-OG 3.04Å; N1434-T1438 PolarHBondContact O-N 3.42Å; N1434-T1438 PolarHBondContact O-OG1 3.32Å
1435S47.7Very low54.6Low65 Ų6576.3 Ų76.346%0.45545%0.453SS..Hα-helixtrans-59.3-36.9178.545.90000114N1433 T1438 N1439N1433-S1435 PolarHBondContact O-N 3.15Å; S1435-T1438 PolarHBondContact O-OG1 3.08Å; S1435-N1439 PolarHBondContact O-N 2.87Å; S1435-N1439 VanDerWaalsContact O-N 3.17Å
1436N55.6Low57.9Low99 Ų9971 Ų7153%0.52942%0.419SS..Hα-helixtrans-74.2-32.6-178-72.314.2000111.4N1433 N1434 L1440N1433-N1436 HydrophobicContact CB-CB 4.31Å; N1433-N1436 PolarHBondContact O-N 3.11Å; N1434-N1436 VanDerWaalsContact C-N 3.32Å; N1434-N1436 PolarHBondContact O-N 2.92Å; N1436-L1440 PolarHBondContact O-N 3.04Å; N1436-L1440 VanDerWaalsContact O-N 3.16Å
1437S61.1Low61Low58 Ų5864 Ų6441%0.40638%0.383SS..Hα-helixtrans-69.4-43.517566.70000111.1N1434 N1439 L1440 E1441N1434-S1437 PolarHBondContact O-N 3.21Å; N1434-S1437 PolarHBondContact O-OG 3.04Å; S1437-N1439 VanDerWaalsContact C-N 3.33Å; S1437-N1439 PolarHBondContact O-N 3.28Å; S1437-L1440 PolarHBondContact O-N 3.44Å; S1437-E1441 WeakPolarHBondContact O-CG 3.38Å; S1437-E1441 PolarHBondContact O-N 3.19Å
1438T64.8Low64.1Low53 Ų5359.3 Ų59.333%0.32535%0.354SS..Hα-helixtrans-62.2-37.8177.348.30000113.1N1434 S1435 E1441 S1442N1434-T1438 PolarHBondContact O-N 3.42Å; N1434-T1438 PolarHBondContact O-OG1 3.32Å; S1435-T1438 PolarHBondContact O-OG1 3.08Å; T1438-E1441 PolarHBondContact O-N 3.17Å; T1438-S1442 WeakPolarHBondContact O-CB 3.48Å; T1438-S1442 PolarHBondContact O-N 2.77Å; T1438-S1442 PolarHBondContact O-OG 2.77Å
1439N74.5Confident67.4Low52 Ų5255.3 Ų55.328%0.27833%0.326SS..Hα-helixtrans-67.1-40.4175-75.2-18.3000112.3T1273 S1435 S1437 E1441 S1442 H1443T1273-N1439 WeakPolarHBondContact CB-OD1 3.35Å; T1273-N1439 HydrophobicContact CG2-CB 3.99Å; T1273-N1439 WeakPolarHBondContact CG2-OD1 3.3Å; T1273-N1439 PolarHBondContact OG1-OD1 3.41Å; S1435-N1439 PolarHBondContact O-N 2.87Å; S1435-N1439 VanDerWaalsContact O-N 3.17Å; S1437-N1439 VanDerWaalsContact C-N 3.33Å; S1437-N1439 PolarHBondContact O-N 3.28Å; N1439-E1441 VanDerWaalsContact C-N 3.35Å; N1439-E1441 PolarHBondContact O-N 2.7Å; N1439-S1442 PolarHBondContact O-N 3.23Å; N1439-S1442 PolarHBondContact O-OG 2.67Å; N1439-S1442 VanDerWaalsContact O-OG 3.06Å; N1439-H1443 PolarHBondContact O-CD2 3.04Å; N1439-H1443 VanDerWaalsContact O-CG 3.31Å; N1439-H1443 PolarHBondContact O-N 3.11Å
1440L83.3Confident70.7Confident94 Ų9452.6 Ų52.649%0.49231%0.307SS..Hα-helixtrans-64.5-40.1175.6-173.364.5000111.7N1436 S1437 L1444N1436-L1440 PolarHBondContact O-N 3.04Å; N1436-L1440 VanDerWaalsContact O-N 3.16Å; S1437-L1440 PolarHBondContact O-N 3.44Å; L1440-L1444 PolarHBondContact O-N 3.34Å
1441E86.5Confident73.6Confident30 Ų3047.5 Ų47.514%0.1428%0.276CS..Hα-helixtrans-68.3-36.4175.4-63.1-165.4169.900112.6L1268 S1411 I1414 S1437 T1438 N1439 L1444 A1445L1268-E1441 HydrophobicContact CD1-CB 3.59Å; L1268-E1441 HydrophobicContact CD2-CB 3.99Å; L1268-E1441 WeakPolarHBondContact CD2-OE2 3.47Å; L1268-E1441 HydrophobicContact CG-CB 4.38Å; S1411-E1441 WeakPolarHBondContact CA-OE1 3.39Å; S1411-E1441 WeakPolarHBondContact CB-OE1 3.45Å; S1411-E1441 WeakPolarHBondContact CB-OE2 3.4Å; S1411-E1441 PolarHBondContact OG-OE2 3.21Å; I1414-E1441 HydrophobicContact CD1-CB 4.3Å; I1414-E1441 HydrophobicContact CD1-CG 3.61Å; S1437-E1441 WeakPolarHBondContact O-CG 3.38Å; S1437-E1441 PolarHBondContact O-N 3.19Å; T1438-E1441 PolarHBondContact O-N 3.17Å; N1439-E1441 VanDerWaalsContact C-N 3.35Å; N1439-E1441 PolarHBondContact O-N 2.7Å; E1441-L1444 WeakPolarHBondContact O-CB 3.43Å; E1441-L1444 PolarHBondContact O-N 3.43Å; E1441-A1445 PolarHBondContact O-N 2.72Å
1442S90.6Very high76.7Confident0 Ų039.9 Ų39.90%023%0.228CC..Hα-helixtrans-71.1-35.4177.7730000111.9T1273 T1438 N1439 L1444 A1445 A1446T1273-S1442 WeakPolarHBondContact CB-OG 3.21Å; T1273-S1442 WeakPolarHBondContact CG2-OG 3.36Å; T1273-S1442 PolarHBondContact OG1-OG 2.86Å; T1438-S1442 WeakPolarHBondContact O-CB 3.48Å; T1438-S1442 PolarHBondContact O-N 2.77Å; T1438-S1442 PolarHBondContact O-OG 2.77Å; N1439-S1442 PolarHBondContact O-N 3.23Å; N1439-S1442 PolarHBondContact O-OG 2.67Å; N1439-S1442 VanDerWaalsContact O-OG 3.06Å; S1442-L1444 VanDerWaalsContact C-N 3.3Å; S1442-L1444 PolarHBondContact O-N 2.91Å; S1442-A1445 PolarHBondContact O-N 3.29Å; S1442-A1446 WeakPolarHBondContact O-CB 3.23Å; S1442-A1446 PolarHBondContact O-N 3.32Å
1443H95Very high79.8Confident20 Ų2036.2 Ų36.29%0.09320%0.203CC..Hα-helixtrans-61.7-36.6166.9-67.6-43.8000112.6T1273 E1274 P1281 N1439 G1447T1273-H1443 WeakPolarHBondContact CG2-CE1 3.5Å; E1274-H1443 PolarHBondContact O-CE1 2.98Å; P1281-H1443 HydrophobicContact CB-CB 4.37Å; N1439-H1443 PolarHBondContact O-CD2 3.04Å; N1439-H1443 VanDerWaalsContact O-CG 3.31Å; N1439-H1443 PolarHBondContact O-N 3.11Å; H1443-G1447 PolarHBondContact O-N 2.91Å
1444L93.6Very high82.4Confident1 Ų137.4 Ų37.41%0.00520%0.2CC..Hα-helixtrans-65.3-46.6174.8-169.472.2000111.2P1281 L1285 L1286 V1289 L1410 I1414 L1440 E1441 S1442 A1446 G1447 L1448P1281-L1444 HydrophobicContact CB-CB 4.21Å; P1281-L1444 HydrophobicContact CB-CD1 3.85Å; P1281-L1444 HydrophobicContact CG-CD1 4.12Å; L1285-L1444 HydrophobicContact CD2-CD1 4.45Å; L1285-L1444 HydrophobicContact CD2-CD2 4.14Å; L1285-L1444 HydrophobicContact CG-CD1 4.23Å; L1285-L1444 HydrophobicContact CG-CD2 4.14Å; L1286-L1444 HydrophobicContact CB-CD1 3.8Å; V1289-L1444 HydrophobicContact CB-CD2 4.36Å; V1289-L1444 HydrophobicContact CG1-CD2 4.26Å; V1289-L1444 HydrophobicContact CG2-CD2 4.14Å; L1410-L1444 HydrophobicContact CD1-CD2 4.36Å; L1410-L1444 HydrophobicContact CD2-CB 4.24Å; L1410-L1444 HydrophobicContact CD2-CD2 4.18Å; L1410-L1444 HydrophobicContact CD2-CG 4.35Å; L1410-L1444 HydrophobicContact CG-CD2 4.23Å; I1414-L1444 HydrophobicContact CD1-CD2 3.64Å; I1414-L1444 HydrophobicContact CG1-CD2 3.65Å; L1440-L1444 PolarHBondContact O-N 3.34Å; E1441-L1444 WeakPolarHBondContact O-CB 3.43Å; E1441-L1444 PolarHBondContact O-N 3.43Å; S1442-L1444 VanDerWaalsContact C-N 3.3Å; S1442-L1444 PolarHBondContact O-N 2.91Å; L1444-A1446 PolarHBondContact O-N 3.41Å; L1444-G1447 PolarHBondContact O-N 2.93Å; L1444-L1448 HydrophobicContact CG-CD1 4.05Å; L1444-L1448 WeakPolarHBondContact O-CB 3.22Å; L1444-L1448 VanDerWaalsContact O-CG 3.3Å; L1444-L1448 WeakPolarHBondContact O-CG 3.45Å; L1444-L1448 PolarHBondContact O-N 3.49Å
1445A92.7Very high84.5Confident0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-59.5-47.1176.900000111.8E1264 I1265 L1410 E1441 S1442 G1447 L1448 L1449E1264-A1445 HydrophobicContact CB-CB 4.24Å; I1265-A1445 HydrophobicContact CB-CB 4.47Å; I1265-A1445 HydrophobicContact CG1-CB 3.53Å; L1410-A1445 HydrophobicContact CD2-CB 3.62Å; E1441-A1445 PolarHBondContact O-N 2.72Å; S1442-A1445 PolarHBondContact O-N 3.29Å; A1445-G1447 VanDerWaalsContact C-N 3.35Å; A1445-G1447 PolarHBondContact O-N 2.95Å; A1445-L1448 PolarHBondContact O-N 3.15Å; A1445-L1449 PolarHBondContact O-N 3Å
1446A96Very high86.4Confident1 Ų128.4 Ų28.41%0.00815%0.146CC..Hα-helixtrans-65.6-34.3175.600000113.1I1265 I1276 F1277 S1442 L1444 K1450I1265-A1446 HydrophobicContact CD1-CB 4.23Å; I1265-A1446 HydrophobicContact CG1-CB 4.36Å; I1276-A1446 HydrophobicContact CD1-CB 3.78Å; I1276-A1446 HydrophobicContact CG1-CB 4.31Å; F1277-A1446 HydrophobicContact CD1-CB 3.62Å; F1277-A1446 HydrophobicContact CE1-CB 3.81Å; F1277-A1446 HydrophobicContact CG-CB 4.1Å; F1277-A1446 HydrophobicContact CZ-CB 4.43Å; S1442-A1446 WeakPolarHBondContact O-CB 3.23Å; S1442-A1446 PolarHBondContact O-N 3.32Å; L1444-A1446 PolarHBondContact O-N 3.41Å; A1446-K1450 WeakPolarHBondContact O-CE 3.35Å; A1446-K1450 WeakPolarHBondContact O-CG 3.25Å; A1446-K1450 PolarHBondContact O-N 3.18Å; A1446-K1450 VanDerWaalsContact O-N 3.14Å
1447G95.4Very high87.6Confident5 Ų524.9 Ų24.95%0.05213%0.129CC..Hα-helixtrans-65.9-46.1173.700000112.5H1443 L1444 A1445 K1450 L1451H1443-G1447 PolarHBondContact O-N 2.91Å; L1444-G1447 PolarHBondContact O-N 2.93Å; A1445-G1447 VanDerWaalsContact C-N 3.35Å; A1445-G1447 PolarHBondContact O-N 2.95Å; G1447-K1450 PolarHBondContact O-N 2.99Å; G1447-L1451 WeakPolarHBondContact O-CB 3.2Å; G1447-L1451 PolarHBondContact O-N 3.42Å
1448L94.3Very high88.7Confident0 Ų028.1 Ų28.10%014%0.138CC..Hα-helixtrans-64.5-39.6176.5-71164.2000111.9F1234 L1261 L1286 V1289 R1290 L1293 L1410 L1444 A1445 L1451 W1452F1234-L1448 HydrophobicContact CZ-CD2 4.22Å; L1261-L1448 HydrophobicContact CD1-CB 3.77Å; L1261-L1448 HydrophobicContact CD2-CB 4.05Å; L1261-L1448 HydrophobicContact CD2-CD1 4.26Å; L1286-L1448 HydrophobicContact CG-CD2 4.22Å; V1289-L1448 HydrophobicContact CG1-CD1 3.72Å; R1290-L1448 HydrophobicContact CB-CD2 3.83Å; L1293-L1448 HydrophobicContact CD1-CD1 4.16Å; L1293-L1448 HydrophobicContact CD1-CD2 4.46Å; L1410-L1448 HydrophobicContact CD1-CD1 3.78Å; L1444-L1448 HydrophobicContact CG-CD1 4.05Å; L1444-L1448 WeakPolarHBondContact O-CB 3.22Å; L1444-L1448 VanDerWaalsContact O-CG 3.3Å; L1444-L1448 WeakPolarHBondContact O-CG 3.45Å; L1444-L1448 PolarHBondContact O-N 3.49Å; A1445-L1448 PolarHBondContact O-N 3.15Å; L1448-L1451 WeakPolarHBondContact O-CB 3.39Å; L1448-L1451 PolarHBondContact O-N 3.25Å; L1448-W1452 WeakPolarHBondContact O-CB 3.46Å; L1448-W1452 PolarHBondContact O-N 2.85Å
1449L95.5Very high89.8Confident0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-67.9-42.3178.7-174.861.5000111.7Q1258 L1261 I1265 F1277 A1445 W1452 L1453 L1523Q1258-L1449 HydrophobicContact CG-CD1 4.31Å; L1261-L1449 HydrophobicContact CB-CB 4.18Å; L1261-L1449 HydrophobicContact CB-CD1 4.21Å; L1261-L1449 HydrophobicContact CD1-CB 4.15Å; L1261-L1449 HydrophobicContact CD1-CD1 4.44Å; I1265-L1449 HydrophobicContact CD1-CB 4.4Å; I1265-L1449 HydrophobicContact CD1-CD2 3.77Å; F1277-L1449 HydrophobicContact CE1-CB 4.44Å; F1277-L1449 HydrophobicContact CE1-CD2 4.17Å; F1277-L1449 HydrophobicContact CZ-CD2 4.01Å; A1445-L1449 PolarHBondContact O-N 3Å; L1449-W1452 HydrophobicContact CD1-CE3 3.86Å; L1449-W1452 HydrophobicContact CD1-CZ3 4.29Å; L1449-W1452 PolarHBondContact O-N 3.14Å; L1449-L1453 HydrophobicContact CG-CD1 4.45Å; L1449-L1453 WeakPolarHBondContact O-CG 3.36Å; L1449-L1453 PolarHBondContact O-N 2.98Å; L1449-L1523 HydrophobicContact CD2-CD2 4.06Å
1450K94.5Very high90.7Very high28 Ų2823.7 Ų23.712%0.12211%0.113CC..Hα-helixtrans-59.4-45.2169.9-75.2-180-63.1174.80111.9F1277 A1446 G1447 W1452 R1454 I1547F1277-K1450 HydrophobicContact CD1-CD 4.04Å; F1277-K1450 HydrophobicContact CD1-CG 3.85Å; F1277-K1450 HydrophobicContact CE1-CG 4.35Å; F1277-K1450 WeakPolarHBondContact O-CE 3.49Å; F1277-K1450 PolarHBondContact O-NZ 3.41Å; A1446-K1450 WeakPolarHBondContact O-CE 3.35Å; A1446-K1450 WeakPolarHBondContact O-CG 3.25Å; A1446-K1450 PolarHBondContact O-N 3.18Å; A1446-K1450 VanDerWaalsContact O-N 3.14Å; G1447-K1450 PolarHBondContact O-N 2.99Å; K1450-W1452 VanDerWaalsContact C-N 3.35Å; K1450-W1452 PolarHBondContact O-N 3.27Å; K1450-R1454 WeakPolarHBondContact O-CB 3.47Å; K1450-R1454 PolarHBondContact O-N 3.08Å; K1450-I1547 HydrophobicContact CG-CD1 4.41Å
1451L91.2Very high91.2Very high11 Ų1119.3 Ų19.36%0.0589%0.09CC..Hα-helixtrans-60.2-45.3179.2-178.169.9000111.4F1234 L1286 R1290 G1447 L1448 R1454 E1455F1234-L1451 HydrophobicContact CD1-CB 4.46Å; F1234-L1451 HydrophobicContact CD1-CD2 3.96Å; F1234-L1451 HydrophobicContact CD1-CG 3.95Å; F1234-L1451 HydrophobicContact CE1-CB 4.26Å; F1234-L1451 HydrophobicContact CE1-CD2 3.84Å; F1234-L1451 HydrophobicContact CE1-CG 4.09Å; L1286-L1451 HydrophobicContact CD2-CD2 4Å; R1290-L1451 HydrophobicContact CB-CD2 4.27Å; R1290-L1451 HydrophobicContact CG-CD2 3.98Å; G1447-L1451 WeakPolarHBondContact O-CB 3.2Å; G1447-L1451 PolarHBondContact O-N 3.42Å; L1448-L1451 WeakPolarHBondContact O-CB 3.39Å; L1448-L1451 PolarHBondContact O-N 3.25Å; L1451-R1454 VanDerWaalsContact CD1-NH2 3.28Å; L1451-R1454 PolarHBondContact O-N 3.39Å; L1451-E1455 HydrophobicContact CD1-CG 4.29Å; L1451-E1455 WeakPolarHBondContact CD1-OE1 3.33Å; L1451-E1455 WeakPolarHBondContact O-CB 3.03Å; L1451-E1455 PolarHBondContact O-N 3.01Å
1452W93.3Very high91.4Very high0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-59.6-56.5177.7173.672000111.4V1233 F1234 L1238 M1241 P1255 I1257 Q1258 L1448 L1449 K1450 R1454 E1455 L1456V1233-W1452 PolarHBondContact O-NE1 3.38Å; F1234-W1452 HydrophobicContact CD1-CB 3.86Å; F1234-W1452 HydrophobicContact CE1-CB 3.79Å; L1238-W1452 HydrophobicContact CD2-CH2 4.02Å; L1238-W1452 HydrophobicContact CD2-CZ2 3.78Å; M1241-W1452 HydrophobicContact CE-CZ2 3.6Å; P1255-W1452 HydrophobicContact CB-CH2 4.29Å; P1255-W1452 HydrophobicContact CB-CZ2 3.9Å; P1255-W1452 HydrophobicContact CG-CH2 4.13Å; P1255-W1452 HydrophobicContact CG-CZ2 3.98Å; I1257-W1452 HydrophobicContact CD1-CG 4.48Å; I1257-W1452 HydrophobicContact CG2-CD2 4.02Å; I1257-W1452 HydrophobicContact CG2-CG 4.15Å; I1257-W1452 HydrophobicContact CG2-CZ2 4.11Å; Q1258-W1452 HydrophobicContact CB-CH2 3.75Å; Q1258-W1452 HydrophobicContact CB-CZ2 4.47Å; Q1258-W1452 HydrophobicContact CB-CZ3 3.78Å; Q1258-W1452 HydrophobicContact CG-CH2 4.03Å; Q1258-W1452 HydrophobicContact CG-CZ3 3.71Å; L1448-W1452 WeakPolarHBondContact O-CB 3.46Å; L1448-W1452 PolarHBondContact O-N 2.85Å; L1449-W1452 HydrophobicContact CD1-CE3 3.86Å; L1449-W1452 HydrophobicContact CD1-CZ3 4.29Å; L1449-W1452 PolarHBondContact O-N 3.14Å; K1450-W1452 VanDerWaalsContact C-N 3.35Å; K1450-W1452 PolarHBondContact O-N 3.27Å; W1452-R1454 VanDerWaalsContact C-N 3.3Å; W1452-R1454 PolarHBondContact O-N 2.84Å; W1452-E1455 PolarHBondContact O-N 3.29Å; W1452-E1455 VanDerWaalsContact O-N 3.15Å; W1452-L1456 HydrophobicContact CH2-CD1 4.49Å; W1452-L1456 HydrophobicContact CZ2-CD1 4.47Å; W1452-L1456 HydrophobicContact CZ2-CD2 3.89Å; W1452-L1456 WeakPolarHBondContact O-CG 3.48Å; W1452-L1456 PolarHBondContact O-N 3.44Å; W1452-L1456 VanDerWaalsContact O-N 3.08Å
1453L93.4Very high91.2Very high0 Ų020.9 Ų20.90%010%0.102CC..Hα-helixtrans-52-48.4176.9-70.7168.5000111.6L1449 E1455 L1456 L1460 L1520 N1550 I1551L1449-L1453 HydrophobicContact CG-CD1 4.45Å; L1449-L1453 WeakPolarHBondContact O-CG 3.36Å; L1449-L1453 PolarHBondContact O-N 2.98Å; L1453-E1455 PolarHBondContact O-N 3.47Å; L1453-L1456 HydrophobicContact CD2-CD1 4.49Å; L1453-L1460 HydrophobicContact CD2-CD2 4.05Å; L1453-L1520 HydrophobicContact CD1-CD1 4.2Å; L1453-L1520 HydrophobicContact CD1-CD2 3.71Å; L1453-L1520 HydrophobicContact CD2-CD2 4.21Å; L1453-N1550 CarbonylContact C-O 3.48Å; L1453-N1550 HydrophobicContact CB-CB 4.06Å; L1453-I1551 HydrophobicContact CB-CG2 4.25Å; L1453-I1551 HydrophobicContact CD1-CG2 4.08Å; L1453-I1551 HydrophobicContact CD2-CG2 3.96Å; L1453-I1551 HydrophobicContact CG-CG2 4.32Å
1454R89.9Confident90.8Very high127 Ų12726.2 Ų26.248%0.47913%0.127SC..Hα-helixtrans-65.8-35.9-178.4-172.2179.168.8-167.62113.1K1450 L1451 W1452 N1550 R1553K1450-R1454 WeakPolarHBondContact O-CB 3.47Å; K1450-R1454 PolarHBondContact O-N 3.08Å; L1451-R1454 VanDerWaalsContact CD1-NH2 3.28Å; L1451-R1454 PolarHBondContact O-N 3.39Å; W1452-R1454 VanDerWaalsContact C-N 3.3Å; W1452-R1454 PolarHBondContact O-N 2.84Å; R1454-N1550 HydrophobicContact CB-CB 4.03Å; R1454-N1550 PolarHBondContact N-O 3.08Å; R1454-R1553 PolarHBondContact O-NH2 2.61Å
1455E86.3Confident90.7Very high15 Ų1527 Ų277%0.0713%0.131CC..Hα-helixtrans-81.7-25-178.5-81.8-165.7-146.800114.2R1203 V1207 F1234 G1235 R1290 L1451 W1452 L1453R1203-E1455 IonicContact CZ-OE2 2.71Å; R1203-E1455 IonicContact NE-OE2 2.76Å; R1203-E1455 IonicContact NH2-OE2 2.62Å; R1203-E1455 PolarHBondContact NH2-OE2 3.32Å; V1207-E1455 HydrophobicContact CG2-CG 4.43Å; F1234-E1455 HydrophobicContact CB-CB 4.27Å; G1235-E1455 VanDerWaalsContact CA-O 3.25Å; G1235-E1455 WeakPolarHBondContact CA-O 3.5Å; R1290-E1455 IonicContact CZ-OE1 3.31Å; R1290-E1455 IonicContact CZ-OE2 3.17Å; R1290-E1455 IonicContact NH1-OE1 2.62Å; R1290-E1455 PolarHBondContact NH1-OE1 3.19Å; R1290-E1455 IonicContact NH1-OE2 2.75Å; R1290-E1455 PolarHBondContact NH1-OE2 3.01Å; R1290-E1455 IonicContact NH2-OE1 3.41Å; R1290-E1455 IonicContact NH2-OE2 3.63Å; R1290-E1455 PolarHBondContact NH2-OE2 3.34Å; L1451-E1455 HydrophobicContact CD1-CG 4.29Å; L1451-E1455 WeakPolarHBondContact CD1-OE1 3.33Å; L1451-E1455 WeakPolarHBondContact O-CB 3.03Å; L1451-E1455 PolarHBondContact O-N 3.01Å; W1452-E1455 PolarHBondContact O-N 3.29Å; W1452-E1455 VanDerWaalsContact O-N 3.15Å; L1453-E1455 PolarHBondContact O-N 3.47Å
1456L87.2Confident90.7Very high2 Ų227.4 Ų27.41%0.0113%0.133CC..SBendtrans-35.7137.5179.6-75.4175.3000112.7L1238 M1241 W1452 L1453 Q1458 R1553L1238-L1456 HydrophobicContact CD2-CD1 4.09Å; L1238-L1456 HydrophobicContact CD2-CD2 3.8Å; L1238-L1456 HydrophobicContact CG-CD2 4.46Å; M1241-L1456 HydrophobicContact CE-CD2 4.29Å; W1452-L1456 HydrophobicContact CH2-CD1 4.49Å; W1452-L1456 HydrophobicContact CZ2-CD1 4.47Å; W1452-L1456 HydrophobicContact CZ2-CD2 3.89Å; W1452-L1456 WeakPolarHBondContact O-CG 3.48Å; W1452-L1456 PolarHBondContact O-N 3.44Å; W1452-L1456 VanDerWaalsContact O-N 3.08Å; L1453-L1456 HydrophobicContact CD2-CD1 4.49Å; L1456-Q1458 VanDerWaalsContact C-N 3.28Å; L1456-Q1458 CarbonylContact C-O 3.6Å; L1456-Q1458 VanDerWaalsContact CB-O 3.23Å; L1456-Q1458 WeakPolarHBondContact CB-O 3.32Å; L1456-Q1458 PolarHBondContact O-N 3.4Å; L1456-R1553 PolarHBondContact O-NH1 2.89Å; L1456-R1553 PolarHBondContact O-NH2 3.26Å
1457S80.9Confident90.5Very high25 Ų2530.8 Ų30.818%0.17516%0.155CC..SBendtrans-54.9-46.6-171.664.70000111.9N1206 S1236 S1237 R1553N1206-S1457 PolarHBondContact ND2-O 3.37Å; N1206-S1457 VanDerWaalsContact ND2-O 3.12Å; S1236-S1457 PolarHBondContact O-N 3.21Å; S1236-S1457 PolarHBondContact O-OG 3.11Å; S1237-S1457 VanDerWaalsContact CA-OG 3.22Å; S1237-S1457 WeakPolarHBondContact CA-OG 3.5Å; S1237-S1457 WeakPolarHBondContact CB-OG 3.33Å; S1237-S1457 PolarHBondContact N-OG 3.4Å; S1457-R1553 PolarHBondContact O-NH1 2.83Å
1458Q83Confident90.3Very high126 Ų12635.8 Ų35.859%0.58918%0.179SC*.SBendtrans-103.5149.1165.1-62-63.3600111.7L1456L1456-Q1458 VanDerWaalsContact C-N 3.28Å; L1456-Q1458 CarbonylContact C-O 3.6Å; L1456-Q1458 VanDerWaalsContact CB-O 3.23Å; L1456-Q1458 WeakPolarHBondContact CB-O 3.32Å; L1456-Q1458 PolarHBondContact O-N 3.4Å
1459P89.6Confident90.3Very high8 Ų835.9 Ų35.95%0.05218%0.179CC..  trans-66.5149.7172.230.2-33.6000110.9I1461 V1463 R1553P1459-I1461 WeakPolarHBondContact CG-O 3.11Å; P1459-I1461 PolarHBondContact O-N 2.97Å; P1459-V1463 HydrophobicContact CG-CG2 3.88Å; P1459-R1553 HydrophobicContact CB-CB 4.27Å; P1459-R1553 HydrophobicContact CB-CG 3.97Å; P1459-R1553 HydrophobicContact CG-CB 4.32Å; P1459-R1553 HydrophobicContact CG-CG 4.39Å
1460L92.8Very high90.2Very high4 Ų436.7 Ų36.72%0.02118%0.183CC..SBendtrans-62.8-27.5-178.6-172.661.9000112.8L1238 L1453 P1513 S1516 L1517 L1520 I1551L1238-L1460 HydrophobicContact CD1-CD1 3.96Å; L1453-L1460 HydrophobicContact CD2-CD2 4.05Å; L1460-P1513 HydrophobicContact CD1-CB 4.25Å; L1460-S1516 WeakPolarHBondContact CD1-OG 3.45Å; L1460-L1517 HydrophobicContact CD2-CB 4.1Å; L1460-L1517 HydrophobicContact CD2-CD1 4.05Å; L1460-L1517 HydrophobicContact CG-CB 4.3Å; L1460-L1520 HydrophobicContact CD2-CD2 4.28Å; L1460-I1551 HydrophobicContact CB-CB 4.1Å; L1460-I1551 HydrophobicContact CB-CG2 3.95Å; L1460-I1551 HydrophobicContact CD2-CG2 3.88Å; L1460-I1551 PolarHBondContact N-O 2.95Å
1461I93.7Very high90.1Very high2 Ų242 Ų421%0.0121%0.206CC..SBendtrans-105.4108.2163.6-61.7171.7000107.7P1459 Q1466 L1517 I1551 M1552 F1573 I1574P1459-I1461 WeakPolarHBondContact CG-O 3.11Å; P1459-I1461 PolarHBondContact O-N 2.97Å; I1461-Q1466 HydrophobicContact CG2-CG 3.88Å; I1461-Q1466 PolarHBondContact O-NE2 3.31Å; I1461-Q1466 VanDerWaalsContact O-NE2 3.1Å; I1461-L1517 HydrophobicContact CG1-CD2 4.38Å; I1461-I1551 PolarHBondContact N-O 3.19Å; I1461-M1552 HydrophobicContact CB-CG 4.12Å; I1461-M1552 HydrophobicContact CD1-CG 3.77Å; I1461-M1552 HydrophobicContact CD1-SD 4.13Å; I1461-M1552 HydrophobicContact CG1-CG 4.44Å; I1461-M1552 HydrophobicContact CG2-CE 4.49Å; I1461-F1573 HydrophobicContact CD1-CD1 4.21Å; I1461-F1573 HydrophobicContact CD1-CE1 3.87Å; I1461-I1574 HydrophobicContact CD1-CD1 3.95Å
1462P90.2Very high90.2Very high43 Ų4341.5 Ų41.528%0.27920%0.204SC..  trans-52.4145.6-179.2-27.935.8000112.8E1464 L1465 Q1466 L1509P1462-E1464 VanDerWaalsContact CB-OE2 3.24Å; P1462-E1464 WeakPolarHBondContact CB-OE2 3Å; P1462-E1464 PolarHBondContact O-N 2.93Å; P1462-L1465 PolarHBondContact O-N 3.32Å; P1462-L1465 VanDerWaalsContact O-N 3.09Å; P1462-Q1466 WeakPolarHBondContact O-CG 3.45Å; P1462-Q1466 PolarHBondContact O-N 3.5Å; P1462-L1509 HydrophobicContact CG-CD2 4.22Å
1463V86.6Confident90.2Very high21 Ų2141.5 Ų41.513%0.12720%0.204CC..THydrogen-bonded Turntrans-61.9-31.7-172.4-176.20000111.5P1459 L1465 Q1466 P1467 S1555 T1556P1459-V1463 HydrophobicContact CG-CG2 3.88Å; V1463-L1465 VanDerWaalsContact C-N 3.34Å; V1463-Q1466 PolarHBondContact O-N 2.6Å; V1463-P1467 VanDerWaalsContact O-CD 3.3Å; V1463-P1467 WeakPolarHBondContact O-CD 3.16Å; V1463-S1555 VanDerWaalsContact CG1-OG 3.32Å; V1463-S1555 WeakPolarHBondContact CG1-OG 3.41Å; V1463-S1555 WeakPolarHBondContact CG2-OG 3.48Å; V1463-T1556 HydrophobicContact CG1-CG2 3.85Å
1464E87Confident90.2Very high131 Ų13144.4 Ų44.461%0.61222%0.223SC*.THydrogen-bonded Turntrans-65.2-35.8179.3-5767.2-146.100111.6P1462P1462-E1464 VanDerWaalsContact CB-OE2 3.24Å; P1462-E1464 WeakPolarHBondContact CB-OE2 3Å; P1462-E1464 PolarHBondContact O-N 2.93Å
1465L91.5Very high90.4Very high18 Ų1841 Ų419%0.09421%0.213CC..THydrogen-bonded Turntrans-85.4-25.4-179.3-169.965.8000112.5P1462 V1463 M1468 C1469 L1505 C1508 L1509P1462-L1465 PolarHBondContact O-N 3.32Å; P1462-L1465 VanDerWaalsContact O-N 3.09Å; V1463-L1465 VanDerWaalsContact C-N 3.34Å; L1465-M1468 HydrophobicContact CD1-SD 4.23Å; L1465-M1468 WeakPolarHBondContact O-CB 3.46Å; L1465-M1468 PolarHBondContact O-N 3.01Å; L1465-C1469 PolarHBondContact O-N 2.7Å; L1465-L1505 HydrophobicContact CD1-CD2 4.28Å; L1465-C1508 HydrophobicContact CD1-CB 3.61Å; L1465-C1508 HydrophobicContact CD2-CB 3.97Å; L1465-C1508 HydrophobicContact CG-CB 4.48Å; L1465-L1509 HydrophobicContact CD2-CD2 3.62Å; L1465-L1509 HydrophobicContact CD2-CG 4.1Å
1466Q92.6Very high90.7Very high8 Ų840.3 Ų40.34%0.03721%0.21CC..Hα-helixtrans-53.1-45.4-175.2-70.5176.446.800113.8I1461 P1462 V1463 M1468 C1469 L1470 M1552 R1553I1461-Q1466 HydrophobicContact CG2-CG 3.88Å; I1461-Q1466 PolarHBondContact O-NE2 3.31Å; I1461-Q1466 VanDerWaalsContact O-NE2 3.1Å; P1462-Q1466 WeakPolarHBondContact O-CG 3.45Å; P1462-Q1466 PolarHBondContact O-N 3.5Å; V1463-Q1466 PolarHBondContact O-N 2.6Å; Q1466-M1468 PolarHBondContact O-N 2.82Å; Q1466-C1469 WeakPolarHBondContact O-CB 3.43Å; Q1466-C1469 PolarHBondContact O-N 3.49Å; Q1466-C1469 VanDerWaalsContact O-N 3.09Å; Q1466-L1470 VanDerWaalsContact O-CG 3.29Å; Q1466-L1470 WeakPolarHBondContact O-CG 3.17Å; Q1466-L1470 PolarHBondContact O-N 2.88Å; Q1466-M1552 HydrophobicContact CB-CE 4.07Å; Q1466-M1552 HydrophobicContact CG-CB 4.49Å; Q1466-M1552 HydrophobicContact CG-CE 3.73Å; Q1466-M1552 HydrophobicContact CG-CG 4.5Å; Q1466-R1553 PolarHBondContact NE2-O 2.98Å; Q1466-R1553 VanDerWaalsContact OE1-C 3.26Å; Q1466-R1553 VanDerWaalsContact OE1-N 3.15Å; Q1466-R1553 PolarHBondContact OE1-O 2.99Å; Q1466-R1553 VanDerWaalsContact OE1-O 3.08Å
1467P90.9Very high90.9Very high72 Ų7242.6 Ų42.647%0.46822%0.221SC..Hα-helixtrans-55.8-36.1177.9-26.935.5000113.9V1463 K1471V1463-P1467 VanDerWaalsContact O-CD 3.3Å; V1463-P1467 WeakPolarHBondContact O-CD 3.16Å; P1467-K1471 WeakPolarHBondContact O-CB 3.5Å; P1467-K1471 PolarHBondContact O-N 3.4Å
1468M92.5Very high91.3Very high111 Ų11145.6 Ų45.655%0.54724%0.238SC..Hα-helixtrans-70.5-44.1176.7-58.6-178.675.100111.1L1465 Q1466 L1470 K1471 A1472 L1505L1465-M1468 HydrophobicContact CD1-SD 4.23Å; L1465-M1468 WeakPolarHBondContact O-CB 3.46Å; L1465-M1468 PolarHBondContact O-N 3.01Å; Q1466-M1468 PolarHBondContact O-N 2.82Å; M1468-L1470 PolarHBondContact O-N 3.45Å; M1468-K1471 PolarHBondContact O-N 3.04Å; M1468-A1472 WeakPolarHBondContact O-CB 3.47Å; M1468-A1472 PolarHBondContact O-N 3.19Å; M1468-L1505 HydrophobicContact CB-CD1 4.31Å; M1468-L1505 HydrophobicContact CB-CD2 4.11Å; M1468-L1505 HydrophobicContact CE-CD2 4.33Å
1469C94.1Very high91.5Very high1 Ų143.3 Ų43.31%0.00722%0.224CC..Hα-helixtrans-60.9-43175.7-61.60000112.4L1465 Q1466 A1473 M1552 F1573L1465-C1469 PolarHBondContact O-N 2.7Å; Q1466-C1469 WeakPolarHBondContact O-CB 3.43Å; Q1466-C1469 PolarHBondContact O-N 3.49Å; Q1466-C1469 VanDerWaalsContact O-N 3.09Å; C1469-A1473 VanDerWaalsContact O-CB 3.3Å; C1469-A1473 WeakPolarHBondContact O-CB 3.14Å; C1469-A1473 PolarHBondContact O-N 3.34Å; C1469-M1552 HydrophobicContact CB-CE 4.14Å; C1469-F1573 HydrophobicContact CB-CD1 4.02Å; C1469-F1573 HydrophobicContact CB-CD2 3.79Å; C1469-F1573 HydrophobicContact CB-CE1 3.92Å; C1469-F1573 HydrophobicContact CB-CE2 3.67Å; C1469-F1573 HydrophobicContact CB-CG 3.98Å; C1469-F1573 HydrophobicContact CB-CZ 3.75Å; C1469-F1573 WeakPolarHBondContact O-CD2 3.22Å; C1469-F1573 VanDerWaalsContact SG-CZ 3.5Å
1470L93.1Very high91.3Very high17 Ų1746 Ų469%0.08924%0.236CC..Hα-helixtrans-69.1-41.5179.8-60.4-178.5000111.9Q1466 M1468 A1473 C1474 M1552 N1566 P1569 Q1570Q1466-L1470 VanDerWaalsContact O-CG 3.29Å; Q1466-L1470 WeakPolarHBondContact O-CG 3.17Å; Q1466-L1470 PolarHBondContact O-N 2.88Å; M1468-L1470 PolarHBondContact O-N 3.45Å; L1470-A1473 PolarHBondContact O-N 3.48Å; L1470-C1474 PolarHBondContact O-N 2.86Å; L1470-C1474 PolarHBondContact O-SG 2.97Å; L1470-M1552 HydrophobicContact CD2-CE 3.74Å; L1470-M1552 HydrophobicContact CG-CE 4.27Å; L1470-N1566 HydrophobicContact CD1-CB 4.09Å; L1470-P1569 HydrophobicContact CB-CB 4.08Å; L1470-P1569 HydrophobicContact CB-CG 4.3Å; L1470-P1569 HydrophobicContact CD2-CB 3.8Å; L1470-P1569 HydrophobicContact CD2-CG 4.04Å; L1470-P1569 HydrophobicContact CG-CB 4.48Å; L1470-Q1570 HydrophobicContact CD2-CB 4.19Å; L1470-Q1570 HydrophobicContact CD2-CG 3.5Å; L1470-Q1570 VanDerWaalsContact CD2-CG 3.5Å; L1470-Q1570 VanDerWaalsContact CD2-N 3.34Å
1471K92Very high90.8Very high139 Ų13952.4 Ų52.460%0.60427%0.269SS*.Hα-helixtrans-62.2-49174.5-179.7173.3174.1177.30111.5P1467 M1468 A1473 C1474 E1475P1467-K1471 WeakPolarHBondContact O-CB 3.5Å; P1467-K1471 PolarHBondContact O-N 3.4Å; M1468-K1471 PolarHBondContact O-N 3.04Å; K1471-A1473 VanDerWaalsContact C-N 3.29Å; K1471-A1473 PolarHBondContact O-N 3.14Å; K1471-C1474 PolarHBondContact O-N 2.92Å; K1471-E1475 WeakPolarHBondContact CE-OE1 3.48Å; K1471-E1475 WeakPolarHBondContact CG-OE1 3.38Å; K1471-E1475 WeakPolarHBondContact O-CG 3.38Å; K1471-E1475 PolarHBondContact O-N 2.9Å
1472A93.1Very high90Very high2 Ų257.5 Ų57.52%0.01729%0.293CS..Hα-helixtrans-61.4-37.517800000112.1M1468 E1475 A1476 K1501 C1502 L1505M1468-A1472 WeakPolarHBondContact O-CB 3.47Å; M1468-A1472 PolarHBondContact O-N 3.19Å; A1472-E1475 PolarHBondContact O-N 2.88Å; A1472-A1476 WeakPolarHBondContact O-CB 3.4Å; A1472-A1476 PolarHBondContact O-N 3.25Å; A1472-K1501 HydrophobicContact CB-CD 4.36Å; A1472-K1501 HydrophobicContact CB-CG 4.26Å; A1472-C1502 PolarHBondContact O-SG 3.39Å; A1472-C1502 VanDerWaalsContact O-SG 3.33Å; A1472-L1505 HydrophobicContact CB-CD1 3.76Å
1473A94.5Very high88.1Confident0 Ų061.6 Ų61.60%031%0.313CS..Hα-helixtrans-64.5-43.617500000112.2C1469 L1470 K1471 A1476 E1477 P1569 L1572 F1573 L1576C1469-A1473 VanDerWaalsContact O-CB 3.3Å; C1469-A1473 WeakPolarHBondContact O-CB 3.14Å; C1469-A1473 PolarHBondContact O-N 3.34Å; L1470-A1473 PolarHBondContact O-N 3.48Å; K1471-A1473 VanDerWaalsContact C-N 3.29Å; K1471-A1473 PolarHBondContact O-N 3.14Å; A1473-A1476 CarbonylContact O-C 3.59Å; A1473-A1476 PolarHBondContact O-N 3.42Å; A1473-E1477 PolarHBondContact O-N 3.12Å; A1473-P1569 HydrophobicContact CB-CB 4.38Å; A1473-L1572 HydrophobicContact CB-CB 4.39Å; A1473-L1572 HydrophobicContact CB-CD2 4.19Å; A1473-L1572 HydrophobicContact CB-CG 4.27Å; A1473-L1572 WeakPolarHBondContact O-CD2 3.49Å; A1473-F1573 HydrophobicContact CB-CB 3.89Å; A1473-F1573 HydrophobicContact CB-CD2 4.35Å; A1473-L1576 HydrophobicContact CB-CD1 4.33Å
1474C93.6Very high86.6Confident60 Ų6069.4 Ų69.441%0.40535%0.345SS..Hα-helixtrans-61.5-42.6174.4-72.10000112.5L1470 K1471 A1476 E1477 V1478L1470-C1474 PolarHBondContact O-N 2.86Å; L1470-C1474 PolarHBondContact O-SG 2.97Å; K1471-C1474 PolarHBondContact O-N 2.92Å; C1474-A1476 VanDerWaalsContact C-N 3.29Å; C1474-A1476 PolarHBondContact O-N 3.29Å; C1474-E1477 PolarHBondContact O-N 3.16Å; C1474-V1478 PolarHBondContact O-N 3.1Å
1475E92.8Very high84.7Confident57 Ų5770.3 Ų70.327%0.26635%0.354SS..Hα-helixtrans-60.6-39.6174.1-67.6165.817600111.3K1471 A1472 V1478 Y1479 P1498 K1501K1471-E1475 WeakPolarHBondContact CE-OE1 3.48Å; K1471-E1475 WeakPolarHBondContact CG-OE1 3.38Å; K1471-E1475 WeakPolarHBondContact O-CG 3.38Å; K1471-E1475 PolarHBondContact O-N 2.9Å; A1472-E1475 PolarHBondContact O-N 2.88Å; E1475-V1478 PolarHBondContact O-N 2.7Å; E1475-Y1479 PolarHBondContact O-N 2.98Å; E1475-P1498 HydrophobicContact CB-CB 3.99Å; E1475-P1498 HydrophobicContact CB-CG 4.31Å; E1475-K1501 IonicContact OE1-NZ 3.94Å; E1475-K1501 PolarHBondContact OE1-NZ 3.42Å; E1475-K1501 WeakPolarHBondContact OE2-CE 3.24Å; E1475-K1501 IonicContact OE2-NZ 3.89Å; E1475-K1501 PolarHBondContact OE2-NZ 2.87Å
1476A92.2Very high82.7Confident0 Ų073.5 Ų73.50%038%0.378CS..Hα-helixtrans-72.9-25.3176.700000114.4A1472 A1473 C1474 Y1479 E1480 P1498 I1499 L1576A1472-A1476 WeakPolarHBondContact O-CB 3.4Å; A1472-A1476 PolarHBondContact O-N 3.25Å; A1473-A1476 CarbonylContact O-C 3.59Å; A1473-A1476 PolarHBondContact O-N 3.42Å; C1474-A1476 VanDerWaalsContact C-N 3.29Å; C1474-A1476 PolarHBondContact O-N 3.29Å; A1476-Y1479 PolarHBondContact O-N 3.02Å; A1476-E1480 PolarHBondContact O-N 2.89Å; A1476-P1498 HydrophobicContact CB-CB 3.89Å; A1476-I1499 HydrophobicContact CB-CG1 4.12Å; A1476-L1576 HydrophobicContact CB-CD1 3.55Å; A1476-L1576 HydrophobicContact CB-CD2 4.4Å
1477E91.8Very high80.5Confident50 Ų5078.2 Ų78.223%0.23440%0.402CS..Hα-helixtrans-65.8-43.2172.4-145.6-178.8175.600111.4A1473 C1474 Y1479 E1480 L1481 K1568 L1572A1473-E1477 PolarHBondContact O-N 3.12Å; C1474-E1477 PolarHBondContact O-N 3.16Å; E1477-Y1479 VanDerWaalsContact C-N 3.32Å; E1477-E1480 PolarHBondContact O-N 2.88Å; E1477-L1481 WeakPolarHBondContact O-CD1 3.47Å; E1477-L1481 VanDerWaalsContact O-CG 3.28Å; E1477-L1481 WeakPolarHBondContact O-CG 3.22Å; E1477-L1481 PolarHBondContact O-N 3.45Å; E1477-K1568 WeakPolarHBondContact OE1-CE 3.35Å; E1477-K1568 IonicContact OE1-NZ 2.93Å; E1477-K1568 PolarHBondContact OE1-NZ 3.18Å; E1477-K1568 WeakPolarHBondContact OE2-CE 3.46Å; E1477-K1568 IonicContact OE2-NZ 2.74Å; E1477-K1568 PolarHBondContact OE2-NZ 2.75Å; E1477-L1572 HydrophobicContact CB-CD2 3.52Å; E1477-L1572 HydrophobicContact CG-CD1 4.37Å; E1477-L1572 HydrophobicContact CG-CD2 3.62Å
1478V89.5Confident78Confident88 Ų8881.3 Ų81.353%0.53342%0.42SS..Hα-helixtrans-65.6-39.7177.7-179.20000110.3C1474 E1475 L1481 Q1482C1474-V1478 PolarHBondContact O-N 3.1Å; E1475-V1478 PolarHBondContact O-N 2.7Å; V1478-L1481 PolarHBondContact O-N 2.88Å; V1478-Q1482 WeakPolarHBondContact O-CG 3.22Å; V1478-Q1482 PolarHBondContact O-N 3.3Å
1479Y88.5Confident75.3Confident77 Ų7779.4 Ų79.430%0.30243%0.429SS..Hα-helixtrans-66.9-38.8177-170.6-84000113.2E1475 A1476 E1477 L1481 Q1482 N1497 P1498 I1499E1475-Y1479 PolarHBondContact O-N 2.98Å; A1476-Y1479 PolarHBondContact O-N 3.02Å; E1477-Y1479 VanDerWaalsContact C-N 3.32Å; Y1479-L1481 PolarHBondContact O-N 2.98Å; Y1479-Q1482 PolarHBondContact O-N 3.41Å; Y1479-N1497 WeakPolarHBondContact CE1-ND2 3.34Å; Y1479-N1497 PolarHBondContact OH-ND2 2.78Å; Y1479-N1497 VanDerWaalsContact OH-ND2 3.15Å; Y1479-P1498 HydrophobicContact CD2-CG 4.33Å; Y1479-P1498 HydrophobicContact CG-CG 4.41Å; Y1479-I1499 HydrophobicContact CD1-CD1 4.01Å; Y1479-I1499 HydrophobicContact CD1-CG1 4.35Å; Y1479-I1499 HydrophobicContact CE1-CD1 4.42Å
1480E85.3Confident72.4Confident64 Ų6484.8 Ų84.830%0.29947%0.467SS..Hα-helixtrans-66.6-22.6174-89.3-170176.100113.9A1476 E1477 I1499 R1575 L1576 Y1580A1476-E1480 PolarHBondContact O-N 2.89Å; E1477-E1480 PolarHBondContact O-N 2.88Å; E1480-I1499 HydrophobicContact CG-CD1 4.08Å; E1480-R1575 IonicContact OE1-CZ 2.66Å; E1480-R1575 IonicContact OE1-NH1 3.2Å; E1480-R1575 PolarHBondContact OE1-NH1 2.87Å; E1480-R1575 IonicContact OE1-NH2 2.85Å; E1480-R1575 PolarHBondContact OE1-NH2 3.11Å; E1480-R1575 IonicContact OE2-CZ 3.75Å; E1480-R1575 VanDerWaalsContact OE2-CZ 3.31Å; E1480-R1575 IonicContact OE2-NH1 3.85Å; E1480-R1575 IonicContact OE2-NH2 4Å; E1480-R1575 PolarHBondContact OE2-NH2 3.3Å; E1480-L1576 WeakPolarHBondContact OE1-CD2 3.19Å; E1480-Y1580 WeakPolarHBondContact OE1-CE2 3.5Å; E1480-Y1580 PolarHBondContact OE1-OH 3.15Å
1481L80.5Confident69.7Low139 Ų13991 Ų9173%0.72850%0.5SS*.THydrogen-bonded Turntrans-94.3-2.5-178.6-69.4170.7000113.6E1477 V1478 Y1479E1477-L1481 WeakPolarHBondContact O-CD1 3.47Å; E1477-L1481 VanDerWaalsContact O-CG 3.28Å; E1477-L1481 WeakPolarHBondContact O-CG 3.22Å; E1477-L1481 PolarHBondContact O-N 3.45Å; V1478-L1481 PolarHBondContact O-N 2.88Å; Y1479-L1481 PolarHBondContact O-N 2.98Å
1482Q76.9Confident67Low110 Ų11093.3 Ų93.351%0.51452%0.518SS..SBendtrans-88.9120171.6-74169.4-12.200108.7V1478 Y1479 K1484V1478-Q1482 WeakPolarHBondContact O-CG 3.22Å; V1478-Q1482 PolarHBondContact O-N 3.3Å; Y1479-Q1482 PolarHBondContact O-N 3.41Å; Q1482-K1484 PolarHBondContact O-N 3.48Å
1483D51.6Low64.5Low129 Ų12997.4 Ų97.469%0.6955%0.547SS*.  trans-59133.1-175.4-84.5-48.6000111.8D1485 S1486D1483-D1485 PolarHBondContact O-N 3.26Å; D1483-S1486 WeakPolarHBondContact O-CB 3.19Å; D1483-S1486 PolarHBondContact O-N 2.88Å; D1483-S1486 PolarHBondContact O-OG 2.91Å
1484K55.3Low62.7Low184 Ų184103.6 Ų103.680%0.859%0.585SS**G310 helixtrans-59.3-24.3-175.9-69.6-177177179.70113.2Q1482 S1486 I1487Q1482-K1484 PolarHBondContact O-N 3.48Å; K1484-S1486 PolarHBondContact O-N 3.5Å; K1484-S1486 VanDerWaalsContact O-N 3.16Å; K1484-I1487 PolarHBondContact O-N 2.83Å
1485D47.4Very low60.9Low151 Ų151106.9 Ų106.981%0.80760%0.598SS**G310 helixtrans-71.9-2.4-179.5-53.7-26.1000113D1483D1483-D1485 PolarHBondContact O-N 3.26Å
1486S48.9Very low59.7Low85 Ų85106.6 Ų106.659%0.59460%0.598SS**G310 helixtrans-93.6-7.5175.264.80000114.9D1483 K1484 T1488D1483-S1486 WeakPolarHBondContact O-CB 3.19Å; D1483-S1486 PolarHBondContact O-N 2.88Å; D1483-S1486 PolarHBondContact O-OG 2.91Å; K1484-S1486 PolarHBondContact O-N 3.5Å; K1484-S1486 VanDerWaalsContact O-N 3.16Å; S1486-T1488 PolarHBondContact O-N 2.94Å
1487I46.6Very low59.5Low106 Ų106108.8 Ų108.854%0.54461%0.61SS.*  trans-10255.5-174.8-43-176000111.8K1484K1484-I1487 PolarHBondContact O-N 2.83Å
1488T37Very low59.3Low137 Ų137107.7 Ų107.784%0.8461%0.607SS**SBendtrans-126.766.8166.257.50000110.8S1486S1486-T1488 PolarHBondContact O-N 2.94Å
1489G36.5Very low59.4Low72 Ų72104.4 Ų104.474%0.74259%0.587SS**SBendtrans130.481.3168.800000115.7
1490S33.5Very low59.6Low114 Ų114105.8 Ų105.880%0.79760%0.595SS**  trans-167.7129.8139.530.40000112.4
1491N36Very low59.9Low147 Ų147106.9 Ų106.979%0.78660%0.599SS**  trans38.1105.4154.8-59.2-10.8000119.5S1493N1491-S1493 PolarHBondContact O-N 3.35Å
1492L34.9Very low60.5Low188 Ų188100.2 Ų100.298%0.98457%0.565SS**  trans-49.1100.9156.9-179.472.2000110.8
1493S42.1Very low61.4Low88 Ų8895.7 Ų95.762%0.61555%0.545SS*.  trans-117.7149168.951.20000109N1491 D1495N1491-S1493 PolarHBondContact O-N 3.35Å; S1493-D1495 PolarHBondContact O-N 3.25Å
1494T55Low63.3Low130 Ų13093.8 Ų93.880%0.79853%0.528SS*.SBendtrans-77.82.8-165.841.90000115.2
1495D57Low65.2Low128 Ų12885.9 Ų85.968%0.68449%0.494SS*.  trans-78.9132.3-178.7-84.9-44.5000112.6S1493S1493-D1495 PolarHBondContact O-N 3.25Å
1496L68.3Low67.4Low52 Ų5278.8 Ų78.827%0.27246%0.456SS..  trans-72.9136.1-179-84.4141.3000111.8Q1500 R1504L1496-Q1500 HydrophobicContact CD2-CB 4.38Å; L1496-R1504 VanDerWaalsContact CD2-CZ 3.47Å
1497N86.7Confident69.5Low45 Ų4578.3 Ų78.324%0.24144%0.441CS..  trans-43.9127.7170.2177.3-52.5000110.6Y1479 I1499 Q1500 K1501Y1479-N1497 WeakPolarHBondContact CE1-ND2 3.34Å; Y1479-N1497 PolarHBondContact OH-ND2 2.78Å; Y1479-N1497 VanDerWaalsContact OH-ND2 3.15Å; N1497-I1499 PolarHBondContact O-N 3.45Å; N1497-I1499 VanDerWaalsContact OD1-CB 3.28Å; N1497-I1499 WeakPolarHBondContact OD1-CB 3.21Å; N1497-I1499 PolarHBondContact OD1-N 3.15Å; N1497-Q1500 HydrophobicContact CB-CB 4.29Å; N1497-Q1500 HydrophobicContact CB-CG 4.18Å; N1497-Q1500 CarbonylContact O-C 3.52Å; N1497-Q1500 WeakPolarHBondContact O-CA 3.33Å; N1497-Q1500 WeakPolarHBondContact O-CB 3.49Å; N1497-Q1500 PolarHBondContact O-N 3.26Å; N1497-K1501 PolarHBondContact O-N 2.85Å
1498P88.4Confident71.7Confident27 Ų2776.3 Ų76.318%0.17544%0.436CS..Hα-helixtrans-54.6-29.4-176.2-31.437.9000115.6E1475 A1476 Y1479 K1501 C1502E1475-P1498 HydrophobicContact CB-CB 3.99Å; E1475-P1498 HydrophobicContact CB-CG 4.31Å; A1476-P1498 HydrophobicContact CB-CB 3.89Å; Y1479-P1498 HydrophobicContact CD2-CG 4.33Å; Y1479-P1498 HydrophobicContact CG-CG 4.41Å; P1498-K1501 WeakPolarHBondContact O-CB 3.32Å; P1498-K1501 PolarHBondContact O-N 3.39Å; P1498-C1502 PolarHBondContact O-N 2.78Å; P1498-C1502 PolarHBondContact O-SG 2.57Å
1499I91.6Very high74.4Confident20 Ų2070 Ų7010%0.10340%0.398CS..Hα-helixtrans-69.1-44.2174.4-57.2174.8000110.5A1476 Y1479 E1480 N1497 K1501 C1502 C1503 L1576 Y1580A1476-I1499 HydrophobicContact CB-CG1 4.12Å; Y1479-I1499 HydrophobicContact CD1-CD1 4.01Å; Y1479-I1499 HydrophobicContact CD1-CG1 4.35Å; Y1479-I1499 HydrophobicContact CE1-CD1 4.42Å; E1480-I1499 HydrophobicContact CG-CD1 4.08Å; N1497-I1499 PolarHBondContact O-N 3.45Å; N1497-I1499 VanDerWaalsContact OD1-CB 3.28Å; N1497-I1499 WeakPolarHBondContact OD1-CB 3.21Å; N1497-I1499 PolarHBondContact OD1-N 3.15Å; I1499-K1501 VanDerWaalsContact C-N 3.32Å; I1499-K1501 PolarHBondContact O-N 3.46Å; I1499-C1502 WeakPolarHBondContact O-CB 3.49Å; I1499-C1502 PolarHBondContact O-N 2.93Å; I1499-C1503 PolarHBondContact O-N 3.38Å; I1499-C1503 VanDerWaalsContact O-N 3.1Å; I1499-C1503 PolarHBondContact O-SG 3.4Å; I1499-L1576 HydrophobicContact CG1-CD2 4.36Å; I1499-L1576 HydrophobicContact CG2-CD2 4.41Å; I1499-Y1580 HydrophobicContact CD1-CE2 4.14Å; I1499-Y1580 HydrophobicContact CG2-CD1 4.29Å; I1499-Y1580 HydrophobicContact CG2-CD2 3.3Å; I1499-Y1580 HydrophobicContact CG2-CE2 3.88Å; I1499-Y1580 HydrophobicContact CG2-CG 3.54Å
1500Q91.8Very high77Confident105 Ų10572 Ų7249%0.49139%0.391SS..Hα-helixtrans-67.5-33.2174.6-66.7-179.7-16.900111.8L1496 N1497 C1503 R1504L1496-Q1500 HydrophobicContact CD2-CB 4.38Å; N1497-Q1500 HydrophobicContact CB-CB 4.29Å; N1497-Q1500 HydrophobicContact CB-CG 4.18Å; N1497-Q1500 CarbonylContact O-C 3.52Å; N1497-Q1500 WeakPolarHBondContact O-CA 3.33Å; N1497-Q1500 WeakPolarHBondContact O-CB 3.49Å; N1497-Q1500 PolarHBondContact O-N 3.26Å; Q1500-C1503 PolarHBondContact O-N 2.82Å; Q1500-R1504 WeakPolarHBondContact O-CB 3.34Å; Q1500-R1504 WeakPolarHBondContact O-CG 3.43Å; Q1500-R1504 PolarHBondContact O-N 3.01Å
1501K91.8Very high79.8Confident87 Ų8767.9 Ų67.938%0.37836%0.361SS..Hα-helixtrans-60.5-44.3171.3-171.1-179.4-176.3178.40111.2A1472 E1475 N1497 P1498 I1499 C1503 R1504 L1505A1472-K1501 HydrophobicContact CB-CD 4.36Å; A1472-K1501 HydrophobicContact CB-CG 4.26Å; E1475-K1501 IonicContact OE1-NZ 3.94Å; E1475-K1501 PolarHBondContact OE1-NZ 3.42Å; E1475-K1501 WeakPolarHBondContact OE2-CE 3.24Å; E1475-K1501 IonicContact OE2-NZ 3.89Å; E1475-K1501 PolarHBondContact OE2-NZ 2.87Å; N1497-K1501 PolarHBondContact O-N 2.85Å; P1498-K1501 WeakPolarHBondContact O-CB 3.32Å; P1498-K1501 PolarHBondContact O-N 3.39Å; I1499-K1501 VanDerWaalsContact C-N 3.32Å; I1499-K1501 PolarHBondContact O-N 3.46Å; K1501-C1503 PolarHBondContact O-N 2.89Å; K1501-R1504 PolarHBondContact O-N 2.87Å; K1501-L1505 WeakPolarHBondContact O-CG 3.36Å; K1501-L1505 PolarHBondContact O-N 3.02Å
1502C94.3Very high82.4Confident0 Ų062.1 Ų62.10%033%0.331CS..Hα-helixtrans-59.2-44.8172.4-67.30000112.3A1472 P1498 I1499 L1505 F1573 L1576A1472-C1502 PolarHBondContact O-SG 3.39Å; A1472-C1502 VanDerWaalsContact O-SG 3.33Å; P1498-C1502 PolarHBondContact O-N 2.78Å; P1498-C1502 PolarHBondContact O-SG 2.57Å; I1499-C1502 WeakPolarHBondContact O-CB 3.49Å; I1499-C1502 PolarHBondContact O-N 2.93Å; C1502-L1505 PolarHBondContact O-N 2.99Å; C1502-F1573 HydrophobicContact CB-CD2 4.11Å; C1502-F1573 HydrophobicContact CB-CE2 3.9Å; C1502-F1573 WeakPolarHBondContact O-CE2 3.24Å; C1502-L1576 HydrophobicContact CB-CD1 4.32Å
1503C94.4Very high85.3Confident14 Ų1454.2 Ų54.210%0.09529%0.291CS..Hα-helixtrans-64.8-43.9178.8-61.70000111.8I1499 Q1500 K1501 L1505 V1506 L1581I1499-C1503 PolarHBondContact O-N 3.38Å; I1499-C1503 VanDerWaalsContact O-N 3.1Å; I1499-C1503 PolarHBondContact O-SG 3.4Å; Q1500-C1503 PolarHBondContact O-N 2.82Å; K1501-C1503 PolarHBondContact O-N 2.89Å; C1503-L1505 VanDerWaalsContact C-N 3.27Å; C1503-L1505 PolarHBondContact O-N 3.41Å; C1503-V1506 VanDerWaalsContact O-CB 3.27Å; C1503-V1506 WeakPolarHBondContact O-CB 3.3Å; C1503-V1506 WeakPolarHBondContact O-CG2 3.48Å; C1503-V1506 PolarHBondContact O-N 3.42Å; C1503-V1506 VanDerWaalsContact O-N 3.08Å; C1503-L1581 HydrophobicContact CB-CD1 3.69Å
1504R92.4Very high87.8Confident90 Ų9050.1 Ų50.134%0.3426%0.261SS..Hα-helixtrans-66.5-23.8179.7-73.6-178-177.5-155.31.1113.6L1496 Q1500 K1501 V1506 R1507L1496-R1504 VanDerWaalsContact CD2-CZ 3.47Å; Q1500-R1504 WeakPolarHBondContact O-CB 3.34Å; Q1500-R1504 WeakPolarHBondContact O-CG 3.43Å; Q1500-R1504 PolarHBondContact O-N 3.01Å; K1501-R1504 PolarHBondContact O-N 2.87Å; R1504-V1506 PolarHBondContact O-N 3.39Å; R1504-R1507 VanDerWaalsContact O-CB 3.26Å; R1504-R1507 WeakPolarHBondContact O-CB 3.47Å; R1504-R1507 WeakPolarHBondContact O-CG 3.22Å; R1504-R1507 PolarHBondContact O-N 3.39Å
1505L94.6Very high89.6Confident18 Ų1844.4 Ų44.49%0.09423%0.225CC..G310 helixtrans-64.1-18.5172.3-73.1170.6000113.3L1465 M1468 A1472 K1501 C1502 C1503 R1507 C1508 F1573L1465-L1505 HydrophobicContact CD1-CD2 4.28Å; M1468-L1505 HydrophobicContact CB-CD1 4.31Å; M1468-L1505 HydrophobicContact CB-CD2 4.11Å; M1468-L1505 HydrophobicContact CE-CD2 4.33Å; A1472-L1505 HydrophobicContact CB-CD1 3.76Å; K1501-L1505 WeakPolarHBondContact O-CG 3.36Å; K1501-L1505 PolarHBondContact O-N 3.02Å; C1502-L1505 PolarHBondContact O-N 2.99Å; C1503-L1505 VanDerWaalsContact C-N 3.27Å; C1503-L1505 PolarHBondContact O-N 3.41Å; L1505-R1507 PolarHBondContact O-N 2.57Å; L1505-C1508 WeakPolarHBondContact O-CB 3.34Å; L1505-C1508 PolarHBondContact O-N 3.13Å; L1505-C1508 VanDerWaalsContact O-N 3.15Å; L1505-F1573 HydrophobicContact CB-CZ 4.45Å; L1505-F1573 HydrophobicContact CD1-CE2 4.43Å
1506V93.7Very high91.4Very high1 Ų138.3 Ų38.31%0.00619%0.193CC..G310 helixtrans-62.3-25.7169.8178.10000111.6C1503 R1504 C1508 L1509 R1514 L1517 L1518 L1577 L1581C1503-V1506 VanDerWaalsContact O-CB 3.27Å; C1503-V1506 WeakPolarHBondContact O-CB 3.3Å; C1503-V1506 WeakPolarHBondContact O-CG2 3.48Å; C1503-V1506 PolarHBondContact O-N 3.42Å; C1503-V1506 VanDerWaalsContact O-N 3.08Å; R1504-V1506 PolarHBondContact O-N 3.39Å; V1506-C1508 VanDerWaalsContact C-N 3.29Å; V1506-C1508 PolarHBondContact O-N 3.35Å; V1506-L1509 HydrophobicContact CG1-CD1 4.42Å; V1506-L1509 WeakPolarHBondContact O-CB 3.28Å; V1506-L1509 PolarHBondContact O-N 3.15Å; V1506-R1514 HydrophobicContact CG1-CG 4.05Å; V1506-R1514 VanDerWaalsContact O-CD 3.27Å; V1506-R1514 WeakPolarHBondContact O-CD 3.48Å; V1506-R1514 WeakPolarHBondContact O-CG 3.5Å; V1506-L1517 HydrophobicContact CG1-CD2 4.42Å; V1506-L1517 HydrophobicContact CG2-CD2 4.41Å; V1506-L1518 HydrophobicContact CG1-CD2 4.38Å; V1506-L1577 HydrophobicContact CG2-CD1 3.88Å; V1506-L1577 HydrophobicContact CG2-CD2 3.65Å; V1506-L1577 HydrophobicContact CG2-CG 4.44Å; V1506-L1581 HydrophobicContact CG2-CD1 4.22Å; V1506-L1581 HydrophobicContact CG2-CD2 4.23Å
1507R93.2Very high92.7Very high75 Ų7535.9 Ų35.928%0.28318%0.18SC..G310 helixtrans-74.6-17176.7-51.3-171.8-173.6-172.61.6113.6R1504 L1505 L1509 E1586 Y1589R1504-R1507 VanDerWaalsContact O-CB 3.26Å; R1504-R1507 WeakPolarHBondContact O-CB 3.47Å; R1504-R1507 WeakPolarHBondContact O-CG 3.22Å; R1504-R1507 PolarHBondContact O-N 3.39Å; L1505-R1507 PolarHBondContact O-N 2.57Å; R1507-L1509 PolarHBondContact O-N 2.89Å; R1507-E1586 VanDerWaalsContact CG-OE2 3.28Å; R1507-E1586 WeakPolarHBondContact CG-OE2 3.18Å; R1507-E1586 IonicContact CZ-OE1 3.1Å; R1507-E1586 IonicContact CZ-OE2 2.64Å; R1507-E1586 IonicContact NE-OE1 3.97Å; R1507-E1586 PolarHBondContact NE-OE1 2.77Å; R1507-E1586 IonicContact NE-OE2 3.31Å; R1507-E1586 PolarHBondContact NE-OE2 2.86Å; R1507-E1586 IonicContact NH2-OE1 3.89Å; R1507-E1586 PolarHBondContact NH2-OE1 3.35Å; R1507-Y1589 VanDerWaalsContact CZ-CD2 3.45Å; R1507-Y1589 VanDerWaalsContact NH2-CD2 3.29Å
1508C93.1Very high93.1Very high64 Ų6433.7 Ų33.743%0.43217%0.169SC..G310 helixtrans-80.22.7174.3-54.60000112.9L1465 L1505 V1506L1465-C1508 HydrophobicContact CD1-CB 3.61Å; L1465-C1508 HydrophobicContact CD2-CB 3.97Å; L1465-C1508 HydrophobicContact CG-CB 4.48Å; L1505-C1508 WeakPolarHBondContact O-CB 3.34Å; L1505-C1508 PolarHBondContact O-N 3.13Å; L1505-C1508 VanDerWaalsContact O-N 3.15Å; V1506-C1508 VanDerWaalsContact C-N 3.29Å; V1506-C1508 PolarHBondContact O-N 3.35Å
1509L93Very high93.4Very high6 Ų632.9 Ų32.93%0.03116%0.162CC..SBendtrans-93.7136.2175.8-62.7173.3000110.5P1462 L1465 V1506 R1507 R1514 L1517P1462-L1509 HydrophobicContact CG-CD2 4.22Å; L1465-L1509 HydrophobicContact CD2-CD2 3.62Å; L1465-L1509 HydrophobicContact CD2-CG 4.1Å; V1506-L1509 HydrophobicContact CG1-CD1 4.42Å; V1506-L1509 WeakPolarHBondContact O-CB 3.28Å; V1506-L1509 PolarHBondContact O-N 3.15Å; R1507-L1509 PolarHBondContact O-N 2.89Å; L1509-R1514 HydrophobicContact CB-CB 3.89Å; L1509-R1514 HydrophobicContact CB-CG 4.45Å; L1509-L1517 HydrophobicContact CD1-CB 4.45Å; L1509-L1517 HydrophobicContact CD1-CD2 3.47Å; L1509-L1517 VanDerWaalsContact CD1-CD2 3.47Å
1510N91.1Very high93.5Very high113 Ų11332 Ų3260%0.60416%0.157SC*.  trans-51.7148.5171.6-66.26.4000111.3L1512 P1513 R1514N1510-L1512 VanDerWaalsContact C-N 3.33Å; N1510-L1512 PolarHBondContact O-N 3.45Å; N1510-L1512 VanDerWaalsContact O-N 3.1Å; N1510-P1513 HydrophobicContact CB-CG 4.18Å; N1510-P1513 VanDerWaalsContact O-CD 3.24Å; N1510-P1513 WeakPolarHBondContact O-CD 3.48Å; N1510-R1514 WeakPolarHBondContact O-CB 3.25Å; N1510-R1514 PolarHBondContact O-N 3.44Å
1511P91.6Very high93.7Very high27 Ų2727 Ų2718%0.17513%0.134CC..Hα-helixtrans-49.4-43.4-171.2-32.735.1000116R1514 R1515 L1590 R1597P1511-R1514 PolarHBondContact O-N 3.39Å; P1511-R1515 VanDerWaalsContact O-CB 3.27Å; P1511-R1515 WeakPolarHBondContact O-CB 3.41Å; P1511-R1515 PolarHBondContact O-N 3.34Å; P1511-L1590 HydrophobicContact CB-CD1 3.9Å; P1511-R1597 VanDerWaalsContact CG-NH2 3.26Å
1512L91.9Very high93.8Very high27 Ų2723.8 Ų23.814%0.14112%0.121CC..Hα-helixtrans-70.5-53.1-179172.662.8000112.8L1238 M1242 N1510 R1514 R1515 S1516L1238-L1512 HydrophobicContact CB-CD2 3.66Å; L1238-L1512 HydrophobicContact CB-CG 3.92Å; L1238-L1512 HydrophobicContact CD1-CG 4.35Å; M1242-L1512 HydrophobicContact CB-CD2 4.47Å; M1242-L1512 HydrophobicContact CG-CD1 3.71Å; M1242-L1512 HydrophobicContact CG-CD2 3.53Å; M1242-L1512 HydrophobicContact CG-CG 4.28Å; M1242-L1512 HydrophobicContact SD-CD1 3.97Å; N1510-L1512 VanDerWaalsContact C-N 3.33Å; N1510-L1512 PolarHBondContact O-N 3.45Å; N1510-L1512 VanDerWaalsContact O-N 3.1Å; L1512-R1514 VanDerWaalsContact C-N 3.3Å; L1512-R1514 PolarHBondContact O-N 3.19Å; L1512-R1515 PolarHBondContact O-N 2.82Å; L1512-S1516 WeakPolarHBondContact O-CB 3.38Å; L1512-S1516 PolarHBondContact O-N 3.09Å
1513P94.5Very high93.8Very high22 Ų2224.1 Ų24.114%0.14312%0.123CC..Hα-helixtrans-52-42.6166.1-29.333.1000114.2L1238 L1460 N1510 S1516 L1517L1238-P1513 HydrophobicContact CD1-CB 4.37Å; L1238-P1513 HydrophobicContact CD1-CG 4.09Å; L1460-P1513 HydrophobicContact CD1-CB 4.25Å; N1510-P1513 HydrophobicContact CB-CG 4.18Å; N1510-P1513 VanDerWaalsContact O-CD 3.24Å; N1510-P1513 WeakPolarHBondContact O-CD 3.48Å; P1513-S1516 PolarHBondContact O-N 2.9Å; P1513-L1517 WeakPolarHBondContact O-CB 3.35Å; P1513-L1517 PolarHBondContact O-N 2.89Å
1514R95Very high93.9Very high1 Ų123.4 Ų23.40%0.00412%0.118CC..Hα-helixtrans-62.3-49.3179.4-171.4168.9167.9-151.3-3.2111.7V1506 L1509 N1510 P1511 L1512 S1516 L1517 L1518 E1586 E1593V1506-R1514 HydrophobicContact CG1-CG 4.05Å; V1506-R1514 VanDerWaalsContact O-CD 3.27Å; V1506-R1514 WeakPolarHBondContact O-CD 3.48Å; V1506-R1514 WeakPolarHBondContact O-CG 3.5Å; L1509-R1514 HydrophobicContact CB-CB 3.89Å; L1509-R1514 HydrophobicContact CB-CG 4.45Å; N1510-R1514 WeakPolarHBondContact O-CB 3.25Å; N1510-R1514 PolarHBondContact O-N 3.44Å; P1511-R1514 PolarHBondContact O-N 3.39Å; L1512-R1514 VanDerWaalsContact C-N 3.3Å; L1512-R1514 PolarHBondContact O-N 3.19Å; R1514-S1516 PolarHBondContact O-N 3.21Å; R1514-L1517 PolarHBondContact O-N 2.93Å; R1514-L1518 HydrophobicContact CG-CD1 4.33Å; R1514-L1518 WeakPolarHBondContact O-CG 3.37Å; R1514-L1518 PolarHBondContact O-N 3.46Å; R1514-E1586 IonicContact CZ-OE2 3Å; R1514-E1586 IonicContact NE-OE2 2.68Å; R1514-E1586 PolarHBondContact NH2-O 2.92Å; R1514-E1586 IonicContact NH2-OE2 3.61Å; R1514-E1586 PolarHBondContact NH2-OE2 2.65Å; R1514-E1593 IonicContact CZ-OE2 3.61Å; R1514-E1593 IonicContact NH1-OE2 2.64Å; R1514-E1593 PolarHBondContact NH1-OE2 3.43Å
1515R93.4Very high94Very high10 Ų1021.1 Ų21.14%0.03811%0.111CC..Hα-helixtrans-58.4-45.3174.3-172.9177.5-97.5120.27.2112R1253 L1254 L1377 P1511 L1512 L1517 L1518 Y1519 L1590 E1594R1253-R1515 WeakPolarHBondContact O-CD 3.48Å; L1254-R1515 HydrophobicContact CD1-CG 4.39Å; L1254-R1515 HydrophobicContact CD2-CB 4.35Å; L1254-R1515 HydrophobicContact CD2-CG 3.8Å; L1254-R1515 HydrophobicContact CG-CG 3.87Å; L1377-R1515 HydrophobicContact CD2-CG 4.2Å; L1377-R1515 WeakPolarHBondContact O-CD 3.41Å; L1377-R1515 WeakPolarHBondContact O-CG 3.27Å; L1377-R1515 PolarHBondContact O-NE 3.46Å; P1511-R1515 VanDerWaalsContact O-CB 3.27Å; P1511-R1515 WeakPolarHBondContact O-CB 3.41Å; P1511-R1515 PolarHBondContact O-N 3.34Å; L1512-R1515 PolarHBondContact O-N 2.82Å; R1515-L1517 PolarHBondContact O-N 3.12Å; R1515-L1518 PolarHBondContact O-N 2.88Å; R1515-Y1519 PolarHBondContact O-N 2.84Å; R1515-L1590 HydrophobicContact CB-CD2 3.98Å; R1515-E1594 IonicContact CZ-OE1 3.69Å; R1515-E1594 IonicContact CZ-OE2 3.82Å; R1515-E1594 IonicContact NH1-OE1 3.01Å; R1515-E1594 PolarHBondContact NH1-OE1 3.23Å; R1515-E1594 IonicContact NH1-OE2 3.45Å; R1515-E1594 VanDerWaalsContact NH2-CD 3.33Å; R1515-E1594 IonicContact NH2-OE1 3.26Å; R1515-E1594 PolarHBondContact NH2-OE1 2.95Å; R1515-E1594 IonicContact NH2-OE2 2.68Å; R1515-E1594 PolarHBondContact NH2-OE2 3.38Å
1516S94.4Very high93.9Very high0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-62.6-38.7176.5171.70000112.3Q1258 L1460 L1512 P1513 R1514 L1520Q1258-S1516 PolarHBondContact NE2-O 3.14Å; Q1258-S1516 PolarHBondContact OE1-OG 3.36Å; L1460-S1516 WeakPolarHBondContact CD1-OG 3.45Å; L1512-S1516 WeakPolarHBondContact O-CB 3.38Å; L1512-S1516 PolarHBondContact O-N 3.09Å; P1513-S1516 PolarHBondContact O-N 2.9Å; R1514-S1516 PolarHBondContact O-N 3.21Å; S1516-L1520 PolarHBondContact O-N 3.47Å
1517L96.2Very high93.9Very high1 Ų122.8 Ų22.81%0.00512%0.118CC..Hα-helixtrans-69.6-46.2174.1-177.461.8000111.7L1460 I1461 V1506 L1509 P1513 R1514 R1515 Y1519 L1520 I1521 I1551 L1577L1460-L1517 HydrophobicContact CD2-CB 4.1Å; L1460-L1517 HydrophobicContact CD2-CD1 4.05Å; L1460-L1517 HydrophobicContact CG-CB 4.3Å; I1461-L1517 HydrophobicContact CG1-CD2 4.38Å; V1506-L1517 HydrophobicContact CG1-CD2 4.42Å; V1506-L1517 HydrophobicContact CG2-CD2 4.41Å; L1509-L1517 HydrophobicContact CD1-CB 4.45Å; L1509-L1517 HydrophobicContact CD1-CD2 3.47Å; L1509-L1517 VanDerWaalsContact CD1-CD2 3.47Å; P1513-L1517 WeakPolarHBondContact O-CB 3.35Å; P1513-L1517 PolarHBondContact O-N 2.89Å; R1514-L1517 PolarHBondContact O-N 2.93Å; R1515-L1517 PolarHBondContact O-N 3.12Å; L1517-Y1519 VanDerWaalsContact C-N 3.34Å; L1517-Y1519 PolarHBondContact O-N 3.4Å; L1517-L1520 WeakPolarHBondContact O-CB 3.41Å; L1517-L1520 PolarHBondContact O-N 2.76Å; L1517-L1520 VanDerWaalsContact O-N 3.08Å; L1517-I1521 HydrophobicContact CD1-CD1 4.25Å; L1517-I1521 HydrophobicContact CD1-CG1 4.06Å; L1517-I1521 HydrophobicContact CG-CG1 4.21Å; L1517-I1521 WeakPolarHBondContact O-CG1 3.26Å; L1517-I1521 PolarHBondContact O-N 2.97Å; L1517-I1551 HydrophobicContact CD1-CD1 4.3Å; L1517-L1577 HydrophobicContact CD2-CD1 4.28Å
1518L94.9Very high94Very high0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-57.3-45.6178.1-71.8170.9000111.6L1377 V1506 R1514 R1515 L1520 I1521 L1522 L1581 I1583 E1586 L1590L1377-L1518 HydrophobicContact CD2-CB 3.86Å; V1506-L1518 HydrophobicContact CG1-CD2 4.38Å; R1514-L1518 HydrophobicContact CG-CD1 4.33Å; R1514-L1518 WeakPolarHBondContact O-CG 3.37Å; R1514-L1518 PolarHBondContact O-N 3.46Å; R1515-L1518 PolarHBondContact O-N 2.88Å; L1518-L1520 VanDerWaalsContact C-N 3.31Å; L1518-L1520 PolarHBondContact O-N 3.03Å; L1518-I1521 PolarHBondContact O-N 3.27Å; L1518-L1522 WeakPolarHBondContact O-CB 3.39Å; L1518-L1522 PolarHBondContact O-N 3.49Å; L1518-L1581 HydrophobicContact CD2-CD2 3.8Å; L1518-I1583 HydrophobicContact CB-CG2 4.48Å; L1518-I1583 HydrophobicContact CD2-CG1 4.42Å; L1518-I1583 HydrophobicContact CD2-CG2 4.42Å; L1518-E1586 HydrophobicContact CD1-CB 4.24Å; L1518-E1586 HydrophobicContact CD2-CB 3.8Å; L1518-E1586 HydrophobicContact CD2-CG 4.46Å; L1518-L1590 HydrophobicContact CD1-CD2 4.18Å
1519Y93.9Very high94Very high10 Ų1020.7 Ų20.74%0.03911%0.107CC..Hα-helixtrans-64.2-33176.2-173.1-107.6000113.2L1254 Q1258 I1259 T1262 W1374 L1377 T1378 R1515 L1517 L1523L1254-Y1519 HydrophobicContact CD1-CD1 3.94Å; L1254-Y1519 HydrophobicContact CD1-CD2 3.85Å; L1254-Y1519 HydrophobicContact CD1-CE2 4.48Å; L1254-Y1519 HydrophobicContact CD1-CG 3.55Å; Q1258-Y1519 HydrophobicContact CG-CD1 4.03Å; Q1258-Y1519 HydrophobicContact CG-CE1 4.31Å; I1259-Y1519 HydrophobicContact CG1-CE1 4.37Å; T1262-Y1519 HydrophobicContact CG2-CE1 3.89Å; W1374-Y1519 HydrophobicContact CE3-CE2 4.29Å; W1374-Y1519 HydrophobicContact CZ3-CE2 4.34Å; L1377-Y1519 HydrophobicContact CB-CD2 4.48Å; L1377-Y1519 HydrophobicContact CD1-CD2 4.36Å; T1378-Y1519 HydrophobicContact CG2-CE2 4.18Å; R1515-Y1519 PolarHBondContact O-N 2.84Å; L1517-Y1519 VanDerWaalsContact C-N 3.34Å; L1517-Y1519 PolarHBondContact O-N 3.4Å; Y1519-L1523 PolarHBondContact O-N 2.82Å
1520L95.3Very high94.1Very high0 Ų024.7 Ų24.70%013%0.133CC..Hα-helixtrans-70.8-44.3172.8179.963000112.2L1453 L1460 S1516 L1517 L1518 L1522 L1523 L1524 I1547 I1551L1453-L1520 HydrophobicContact CD1-CD1 4.2Å; L1453-L1520 HydrophobicContact CD1-CD2 3.71Å; L1453-L1520 HydrophobicContact CD2-CD2 4.21Å; L1460-L1520 HydrophobicContact CD2-CD2 4.28Å; S1516-L1520 PolarHBondContact O-N 3.47Å; L1517-L1520 WeakPolarHBondContact O-CB 3.41Å; L1517-L1520 PolarHBondContact O-N 2.76Å; L1517-L1520 VanDerWaalsContact O-N 3.08Å; L1518-L1520 VanDerWaalsContact C-N 3.31Å; L1518-L1520 PolarHBondContact O-N 3.03Å; L1520-L1522 VanDerWaalsContact C-N 3.28Å; L1520-L1522 PolarHBondContact O-N 2.94Å; L1520-L1523 PolarHBondContact O-N 3.21Å; L1520-L1524 HydrophobicContact CD1-CD1 4.2Å; L1520-L1524 HydrophobicContact CD1-CG 4.45Å; L1520-L1524 HydrophobicContact CG-CD1 3.99Å; L1520-L1524 VanDerWaalsContact O-CG 3.29Å; L1520-L1524 WeakPolarHBondContact O-CG 3.36Å; L1520-L1524 PolarHBondContact O-N 3.11Å; L1520-I1547 HydrophobicContact CD2-CG2 4.34Å; L1520-I1551 HydrophobicContact CD2-CD1 4.43Å; L1520-I1551 HydrophobicContact CD2-CG2 3.93Å
1521I96Very high94.1Very high0 Ų023 Ų230%013%0.127CC..Hα-helixtrans-64.2-35.7177-60.5-62.7000110.4L1517 L1518 L1524 Q1525 L1577 I1578 L1581 I1583L1517-I1521 HydrophobicContact CD1-CD1 4.25Å; L1517-I1521 HydrophobicContact CD1-CG1 4.06Å; L1517-I1521 HydrophobicContact CG-CG1 4.21Å; L1517-I1521 WeakPolarHBondContact O-CG1 3.26Å; L1517-I1521 PolarHBondContact O-N 2.97Å; L1518-I1521 PolarHBondContact O-N 3.27Å; I1521-L1524 CarbonylContact O-C 3.29Å; I1521-L1524 PolarHBondContact O-N 3.09Å; I1521-L1524 VanDerWaalsContact O-N 3.16Å; I1521-Q1525 HydrophobicContact CG2-CG 4.19Å; I1521-Q1525 WeakPolarHBondContact O-CB 3.45Å; I1521-Q1525 WeakPolarHBondContact O-CG 3.23Å; I1521-Q1525 PolarHBondContact O-N 3.33Å; I1521-L1577 HydrophobicContact CD1-CB 3.9Å; I1521-L1577 HydrophobicContact CD1-CD1 4.34Å; I1521-L1577 HydrophobicContact CG1-CB 4.34Å; I1521-I1578 HydrophobicContact CD1-CG1 4.27Å; I1521-L1581 HydrophobicContact CG2-CD2 4.27Å; I1521-I1583 HydrophobicContact CB-CD1 4.25Å; I1521-I1583 HydrophobicContact CG2-CD1 4.11Å
1522L93.5Very high94.2Very high21 Ų2123 Ų2311%0.1113%0.125CC..Hα-helixtrans-61.4-43.7175.3-175.555.6000112.7L1372 W1374 L1377 L1518 L1520 H1526 I1583L1372-L1522 HydrophobicContact CD2-CD1 3.93Å; L1372-L1522 HydrophobicContact CD2-CD2 3.59Å; L1372-L1522 HydrophobicContact CD2-CG 4.44Å; W1374-L1522 HydrophobicContact CE3-CD2 3.81Å; W1374-L1522 HydrophobicContact CH2-CD1 4.22Å; W1374-L1522 HydrophobicContact CH2-CD2 3.57Å; W1374-L1522 HydrophobicContact CH2-CG 3.71Å; W1374-L1522 HydrophobicContact CZ2-CD2 4.31Å; W1374-L1522 HydrophobicContact CZ3-CD2 3.29Å; W1374-L1522 HydrophobicContact CZ3-CG 3.81Å; L1377-L1522 HydrophobicContact CD1-CD2 3.55Å; L1518-L1522 WeakPolarHBondContact O-CB 3.39Å; L1518-L1522 PolarHBondContact O-N 3.49Å; L1520-L1522 VanDerWaalsContact C-N 3.28Å; L1520-L1522 PolarHBondContact O-N 2.94Å; L1522-H1526 PolarHBondContact O-N 3.27Å; L1522-I1583 HydrophobicContact CB-CD1 3.62Å; L1522-I1583 HydrophobicContact CD1-CD1 4.12Å; L1522-I1583 HydrophobicContact CG-CD1 4.42Å
1523L93.6Very high94.2Very high6 Ų622.5 Ų22.53%0.03112%0.123CC..Hα-helixtrans-59.9-47.1170.8170.262.6000111.2T1262 I1265 L1266 F1277 L1449 Y1519 L1520 H1526 L1527T1262-L1523 HydrophobicContact CG2-CB 4.35Å; T1262-L1523 HydrophobicContact CG2-CD1 4.23Å; T1262-L1523 HydrophobicContact CG2-CD2 4.07Å; T1262-L1523 HydrophobicContact CG2-CG 4.44Å; I1265-L1523 HydrophobicContact CD1-CD2 4.33Å; L1266-L1523 HydrophobicContact CD1-CD1 3.87Å; L1266-L1523 HydrophobicContact CD2-CD1 3.94Å; L1266-L1523 HydrophobicContact CG-CD1 3.95Å; F1277-L1523 HydrophobicContact CE2-CD2 4.32Å; F1277-L1523 HydrophobicContact CZ-CD2 4.03Å; L1449-L1523 HydrophobicContact CD2-CD2 4.06Å; Y1519-L1523 PolarHBondContact O-N 2.82Å; L1520-L1523 PolarHBondContact O-N 3.21Å; L1523-H1526 WeakPolarHBondContact O-CB 3.33Å; L1523-H1526 PolarHBondContact O-N 3.46Å; L1523-L1527 HydrophobicContact CD1-CD1 3.84Å; L1523-L1527 HydrophobicContact CD1-CG 4Å; L1523-L1527 HydrophobicContact CG-CD1 3.96Å; L1523-L1527 HydrophobicContact CG-CG 4.47Å; L1523-L1527 VanDerWaalsContact O-CG 3.32Å; L1523-L1527 WeakPolarHBondContact O-CG 3.28Å; L1523-L1527 PolarHBondContact O-N 3.14Å
1524L96.5Very high94.2Very high0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-69.8-35.5-176.1-64.3169.2000112.2F1277 L1520 I1521 L1527 S1528 L1543 I1547 I1578F1277-L1524 HydrophobicContact CD2-CD2 4.25Å; F1277-L1524 HydrophobicContact CE2-CD2 3.95Å; L1520-L1524 HydrophobicContact CD1-CD1 4.2Å; L1520-L1524 HydrophobicContact CD1-CG 4.45Å; L1520-L1524 HydrophobicContact CG-CD1 3.99Å; L1520-L1524 VanDerWaalsContact O-CG 3.29Å; L1520-L1524 WeakPolarHBondContact O-CG 3.36Å; L1520-L1524 PolarHBondContact O-N 3.11Å; I1521-L1524 CarbonylContact O-C 3.29Å; I1521-L1524 PolarHBondContact O-N 3.09Å; I1521-L1524 VanDerWaalsContact O-N 3.16Å; L1524-L1527 PolarHBondContact O-N 3.28Å; L1524-S1528 WeakPolarHBondContact O-CB 3.44Å; L1524-S1528 PolarHBondContact O-N 2.7Å; L1524-S1528 PolarHBondContact O-OG 2.78Å; L1524-L1543 HydrophobicContact CD2-CB 4.38Å; L1524-L1543 HydrophobicContact CD2-CD2 4.05Å; L1524-I1547 HydrophobicContact CD1-CB 4.36Å; L1524-I1547 HydrophobicContact CD1-CG1 3.96Å; L1524-I1547 HydrophobicContact CD1-CG2 3.98Å; L1524-I1547 HydrophobicContact CD2-CD1 4.19Å; L1524-I1547 HydrophobicContact CD2-CG1 3.82Å; L1524-I1578 HydrophobicContact CB-CD1 3.93Å; L1524-I1578 HydrophobicContact CB-CG1 3.93Å; L1524-I1578 HydrophobicContact CD1-CD1 4.2Å
1525Q95Very high94Very high42 Ų4232 Ų3220%0.19617%0.17CC..Hα-helixtrans-59.2-49.9169.9-84.6178.2-9.500110.9I1521 L1527 S1528 K1529 I1578 L1581I1521-Q1525 HydrophobicContact CG2-CG 4.19Å; I1521-Q1525 WeakPolarHBondContact O-CB 3.45Å; I1521-Q1525 WeakPolarHBondContact O-CG 3.23Å; I1521-Q1525 PolarHBondContact O-N 3.33Å; Q1525-L1527 PolarHBondContact O-N 3.39Å; Q1525-S1528 WeakPolarHBondContact CA-OG 3.43Å; Q1525-S1528 PolarHBondContact O-N 3.4Å; Q1525-S1528 PolarHBondContact O-OG 2.91Å; Q1525-K1529 PolarHBondContact O-N 3.05Å; Q1525-I1578 HydrophobicContact CG-CG2 4.21Å; Q1525-I1578 WeakPolarHBondContact CG-O 3.29Å; Q1525-I1578 PolarHBondContact NE2-O 2.83Å; Q1525-L1581 PolarHBondContact NE2-O 2.89Å
1526H91.7Very high94Very high53 Ų5331.6 Ų31.625%0.24517%0.168CC..Hα-helixtrans-55.3-53174.8176.284.5000111.6L1522 L1523 S1528 K1529 H1532L1522-H1526 PolarHBondContact O-N 3.27Å; L1523-H1526 WeakPolarHBondContact O-CB 3.33Å; L1523-H1526 PolarHBondContact O-N 3.46Å; H1526-S1528 VanDerWaalsContact C-N 3.26Å; H1526-S1528 PolarHBondContact O-N 2.75Å; H1526-K1529 WeakPolarHBondContact O-CB 3.25Å; H1526-K1529 WeakPolarHBondContact O-CG 3.36Å; H1526-K1529 PolarHBondContact O-N 2.92Å; H1526-H1532 AromaticContact CE1-CD2 3.88Å; H1526-H1532 AromaticContact CE1-NE2 3.65Å; H1526-H1532 AromaticContact NE2-CD2 3.83Å; H1526-H1532 AromaticContact NE2-NE2 3.93Å; H1526-H1532 PolarHBondContact O-CD2 3.39Å
1527L94.4Very high94.1Very high0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-61.9-32.5179.6-64.7173.2000113.1L1266 A1271 F1277 L1523 L1524 Q1525 K1529 L1543L1266-L1527 HydrophobicContact CD2-CD2 4.18Å; A1271-L1527 VanDerWaalsContact CA-CD2 3.46Å; A1271-L1527 HydrophobicContact CB-CD2 3.84Å; F1277-L1527 HydrophobicContact CD2-CD1 4.05Å; F1277-L1527 HydrophobicContact CE2-CD1 3.54Å; L1523-L1527 HydrophobicContact CD1-CD1 3.84Å; L1523-L1527 HydrophobicContact CD1-CG 4Å; L1523-L1527 HydrophobicContact CG-CD1 3.96Å; L1523-L1527 HydrophobicContact CG-CG 4.47Å; L1523-L1527 VanDerWaalsContact O-CG 3.32Å; L1523-L1527 WeakPolarHBondContact O-CG 3.28Å; L1523-L1527 PolarHBondContact O-N 3.14Å; L1524-L1527 PolarHBondContact O-N 3.28Å; Q1525-L1527 PolarHBondContact O-N 3.39Å; L1527-K1529 VanDerWaalsContact C-N 3.33Å; L1527-K1529 PolarHBondContact O-N 3.23Å; L1527-L1543 HydrophobicContact CB-CD1 3.98Å
1528S95.8Very high94Very high26 Ų2635.9 Ų35.918%0.18219%0.191CC..Hα-helixtrans-77.6-8.8-179.874.90000115.3L1524 Q1525 H1526L1524-S1528 WeakPolarHBondContact O-CB 3.44Å; L1524-S1528 PolarHBondContact O-N 2.7Å; L1524-S1528 PolarHBondContact O-OG 2.78Å; Q1525-S1528 WeakPolarHBondContact CA-OG 3.43Å; Q1525-S1528 PolarHBondContact O-N 3.4Å; Q1525-S1528 PolarHBondContact O-OG 2.91Å; H1526-S1528 VanDerWaalsContact C-N 3.26Å; H1526-S1528 PolarHBondContact O-N 2.75Å
1529K93.1Very high94.1Very high70 Ų7038.7 Ų38.730%0.30421%0.206SC..SBendtrans-58.3140.1179.2-71.9-172177-169.50110.4L1368 Q1525 H1526 L1527 V1531 H1532 S1533L1368-K1529 VanDerWaalsContact CD2-NZ 3.28Å; Q1525-K1529 PolarHBondContact O-N 3.05Å; H1526-K1529 WeakPolarHBondContact O-CB 3.25Å; H1526-K1529 WeakPolarHBondContact O-CG 3.36Å; H1526-K1529 PolarHBondContact O-N 2.92Å; L1527-K1529 VanDerWaalsContact C-N 3.33Å; L1527-K1529 PolarHBondContact O-N 3.23Å; K1529-V1531 VanDerWaalsContact C-N 3.25Å; K1529-V1531 PolarHBondContact O-N 2.96Å; K1529-H1532 CarbonylContact O-C 3.55Å; K1529-H1532 WeakPolarHBondContact O-CA 3.46Å; K1529-H1532 PolarHBondContact O-N 3.06Å; K1529-S1533 PolarHBondContact O-N 3.27Å; K1529-S1533 PolarHBondContact O-OG 3.33Å
1530P93.7Very high94.2Very high89 Ų8939 Ų3958%0.57821%0.21SC*.Hα-helixtrans-49.9-39.5-176.7-31.836.4000115.4H1532 S1533 N1534P1530-H1532 PolarHBondContact O-N 3.23Å; P1530-S1533 WeakPolarHBondContact CA-OG 3.26Å; P1530-N1534 WeakPolarHBondContact O-CB 3.25Å; P1530-N1534 PolarHBondContact O-N 3.46Å; P1530-N1534 VanDerWaalsContact O-N 3.09Å; P1530-N1534 PolarHBondContact O-ND2 3.17Å; P1530-N1534 PolarHBondContact O-OD1 3.41Å
1531V92.2Very high94.2Very high77 Ų7746.2 Ų46.247%0.46724%0.237SC..Hα-helixtrans-60-26.5177.5-174.40000112.7K1529K1529-V1531 VanDerWaalsContact C-N 3.25Å; K1529-V1531 PolarHBondContact O-N 2.96Å
1532H92.4Very high94.2Very high29 Ų2948.8 Ų48.813%0.13425%0.251CS..Hα-helixtrans-106.4-42.4-176-57.4-21.1000111.1A1271 H1526 K1529 P1530 N1534 Q1535 S1536A1271-H1532 HydrophobicContact CB-CB 4.23Å; A1271-H1532 WeakPolarHBondContact O-CB 3.36Å; H1526-H1532 AromaticContact CE1-CD2 3.88Å; H1526-H1532 AromaticContact CE1-NE2 3.65Å; H1526-H1532 AromaticContact NE2-CD2 3.83Å; H1526-H1532 AromaticContact NE2-NE2 3.93Å; H1526-H1532 PolarHBondContact O-CD2 3.39Å; K1529-H1532 CarbonylContact O-C 3.55Å; K1529-H1532 WeakPolarHBondContact O-CA 3.46Å; K1529-H1532 PolarHBondContact O-N 3.06Å; P1530-H1532 PolarHBondContact O-N 3.23Å; H1532-N1534 VanDerWaalsContact C-N 3.28Å; H1532-N1534 PolarHBondContact O-N 3.18Å; H1532-Q1535 PolarHBondContact O-N 3.19Å; H1532-Q1535 VanDerWaalsContact O-N 3.15Å; H1532-S1536 WeakPolarHBondContact O-CB 3.19Å; H1532-S1536 PolarHBondContact O-N 2.97Å; H1532-S1536 PolarHBondContact O-OG 3.24Å
1533S93.8Very high94.4Very high16 Ų1647.8 Ų47.811%0.11225%0.246CC..Hα-helixtrans-62.9-31.5176.266.90000113K1529 P1530 Q1535 S1536 L1537 M1538K1529-S1533 PolarHBondContact O-N 3.27Å; K1529-S1533 PolarHBondContact O-OG 3.33Å; P1530-S1533 WeakPolarHBondContact CA-OG 3.26Å; S1533-Q1535 VanDerWaalsContact C-N 3.27Å; S1533-Q1535 PolarHBondContact O-N 3.46Å; S1533-S1536 WeakPolarHBondContact CA-OG 3.3Å; S1533-L1537 WeakPolarHBondContact O-CA 3.34Å; S1533-L1537 PolarHBondContact O-N 3.18Å; S1533-M1538 WeakPolarHBondContact CB-O 3.39Å; S1533-M1538 PolarHBondContact O-N 3.07Å
1534N92.6Very high94.6Very high125 Ų12547.5 Ų47.567%0.66825%0.245SC*.Hα-helixtrans-71.4-20177.7-69-4.5000113.4P1530 H1532P1530-N1534 WeakPolarHBondContact O-CB 3.25Å; P1530-N1534 PolarHBondContact O-N 3.46Å; P1530-N1534 VanDerWaalsContact O-N 3.09Å; P1530-N1534 PolarHBondContact O-ND2 3.17Å; P1530-N1534 PolarHBondContact O-OD1 3.41Å; H1532-N1534 VanDerWaalsContact C-N 3.28Å; H1532-N1534 PolarHBondContact O-N 3.18Å
1535Q92.1Very high94.5Very high98 Ų9850.8 Ų50.846%0.45826%0.264SS..Hα-helixtrans-100.6-42.1176.6-62.1-175.25.600111.5H1532 S1533 L1537H1532-Q1535 PolarHBondContact O-N 3.19Å; H1532-Q1535 VanDerWaalsContact O-N 3.15Å; S1533-Q1535 VanDerWaalsContact C-N 3.27Å; S1533-Q1535 PolarHBondContact O-N 3.46Å; Q1535-L1537 VanDerWaalsContact C-N 3.33Å
1536S93.3Very high94.6Very high0 Ų050.4 Ų50.40%027%0.265CS..Hα-helixtrans-77.8-13.5177.161.90000114T1273 E1274 G1275 H1532 S1533 M1538T1273-S1536 WeakPolarHBondContact O-CA 3.4Å; T1273-S1536 WeakPolarHBondContact O-CB 3.43Å; E1274-S1536 CarbonylContact C-O 3.58Å; E1274-S1536 WeakPolarHBondContact CA-O 3.45Å; G1275-S1536 PolarHBondContact N-O 3.12Å; H1532-S1536 WeakPolarHBondContact O-CB 3.19Å; H1532-S1536 PolarHBondContact O-N 2.97Å; H1532-S1536 PolarHBondContact O-OG 3.24Å; S1533-S1536 WeakPolarHBondContact CA-OG 3.3Å; S1536-M1538 WeakPolarHBondContact O-CG 3.41Å; S1536-M1538 PolarHBondContact O-N 2.82Å; S1536-M1538 PolarHBondContact OG-N 2.59Å
1537L95.6Very high94.8Very high92 Ų9247.9 Ų47.948%0.48225%0.254SS..  trans58.520.8-171.4-49.9-178000114E1274 S1533 Q1535 N1542E1274-L1537 HydrophobicContact CG-CD1 3.88Å; E1274-L1537 HydrophobicContact CG-CG 4.21Å; S1533-L1537 WeakPolarHBondContact O-CA 3.34Å; S1533-L1537 PolarHBondContact O-N 3.18Å; Q1535-L1537 VanDerWaalsContact C-N 3.33Å; L1537-N1542 PolarHBondContact O-ND2 3.09Å
1538M95.5Very high94.8Very high0 Ų047.9 Ų47.90%025%0.254CS..  trans-119.186.3-174.5-68.8-60-61.100111.1I1276 R1278 S1533 S1536 N1542 L1543 V1546I1276-M1538 HydrophobicContact CG2-CB 4.25Å; I1276-M1538 HydrophobicContact CG2-CG 4.07Å; I1276-M1538 WeakPolarHBondContact O-CE 3.4Å; I1276-M1538 WeakPolarHBondContact O-CG 3.46Å; R1278-M1538 HydrophobicContact CB-CE 3.93Å; R1278-M1538 HydrophobicContact CB-SD 3.64Å; R1278-M1538 HydrophobicContact CG-SD 4.41Å; S1533-M1538 WeakPolarHBondContact CB-O 3.39Å; S1533-M1538 PolarHBondContact O-N 3.07Å; S1536-M1538 WeakPolarHBondContact O-CG 3.41Å; S1536-M1538 PolarHBondContact O-N 2.82Å; S1536-M1538 PolarHBondContact OG-N 2.59Å; M1538-N1542 VanDerWaalsContact CE-C 3.47Å; M1538-N1542 HydrophobicContact CE-CB 3.68Å; M1538-N1542 HydrophobicContact SD-CB 3.8Å; M1538-L1543 HydrophobicContact CB-CD2 4.04Å; M1538-L1543 HydrophobicContact CB-CG 4.06Å; M1538-L1543 HydrophobicContact CE-CD2 3.8Å; M1538-L1543 HydrophobicContact CE-CG 4.07Å; M1538-V1546 HydrophobicContact CE-CG2 3.88Å
1539D95.9Very high94.6Very high58 Ų5849.9 Ų49.931%0.3127%0.266SS..  trans-76.3176.8170.281.6-48.1000111.8R1541 N1542 L1543D1539-R1541 PolarHBondContact O-N 3.17Å; D1539-R1541 WeakPolarHBondContact OD2-CB 3.44Å; D1539-R1541 PolarHBondContact OD2-N 3.07Å; D1539-R1541 VanDerWaalsContact OD2-N 3.09Å; D1539-N1542 PolarHBondContact O-N 2.93Å; D1539-N1542 WeakPolarHBondContact OD1-CB 3.42Å; D1539-N1542 PolarHBondContact OD1-N 3.15Å; D1539-N1542 PolarHBondContact OD1-ND2 3.04Å; D1539-L1543 WeakPolarHBondContact O-CB 3.33Å; D1539-L1543 WeakPolarHBondContact O-CG 3.48Å; D1539-L1543 PolarHBondContact O-N 3.33Å
1540A96Very high94.6Very high16 Ų1647.3 Ų47.313%0.13226%0.255CS..Hα-helixtrans-57.6-31.4178.200000113.7S1544 R1575 I1578A1540-S1544 VanDerWaalsContact O-CB 3.28Å; A1540-S1544 WeakPolarHBondContact O-CB 3.34Å; A1540-S1544 PolarHBondContact O-N 2.66Å; A1540-S1544 PolarHBondContact O-OG 2.8Å; A1540-R1575 HydrophobicContact CB-CG 4.34Å; A1540-I1578 HydrophobicContact CB-CB 4.22Å; A1540-I1578 HydrophobicContact CB-CG2 3.63Å
1541R95.7Very high94.6Very high152 Ų15243.1 Ų43.157%0.57423%0.228SC*.Hα-helixtrans-74.9-44.3177.3-172.1179.4-77.7155-5.3111.8D1539 S1544 T1545D1539-R1541 PolarHBondContact O-N 3.17Å; D1539-R1541 WeakPolarHBondContact OD2-CB 3.44Å; D1539-R1541 PolarHBondContact OD2-N 3.07Å; D1539-R1541 VanDerWaalsContact OD2-N 3.09Å; R1541-S1544 WeakPolarHBondContact CA-OG 3.34Å; R1541-S1544 PolarHBondContact O-OG 3.39Å; R1541-T1545 WeakPolarHBondContact O-CB 3.31Å; R1541-T1545 PolarHBondContact O-N 3.44Å; R1541-T1545 VanDerWaalsContact O-N 3.16Å; R1541-T1545 PolarHBondContact O-OG1 3.44Å
1542N95.9Very high94.5Very high55 Ų5539.6 Ų39.629%0.29421%0.206SC..Hα-helixtrans-64.7-42.8174.5-71.6-16000111.2L1537 M1538 D1539 T1545 V1546L1537-N1542 PolarHBondContact O-ND2 3.09Å; M1538-N1542 VanDerWaalsContact CE-C 3.47Å; M1538-N1542 HydrophobicContact CE-CB 3.68Å; M1538-N1542 HydrophobicContact SD-CB 3.8Å; D1539-N1542 PolarHBondContact O-N 2.93Å; D1539-N1542 WeakPolarHBondContact OD1-CB 3.42Å; D1539-N1542 PolarHBondContact OD1-N 3.15Å; D1539-N1542 PolarHBondContact OD1-ND2 3.04Å; N1542-T1545 PolarHBondContact O-N 3.11Å; N1542-V1546 PolarHBondContact O-N 3.27Å
1543L97.8Very high93.9Very high0 Ų040.3 Ų40.30%021%0.208CC..Hα-helixtrans-63.6-48.9178-73.9168.6000112.1F1277 L1524 L1527 M1538 D1539 T1545 V1546 I1547 I1578F1277-L1543 HydrophobicContact CD2-CD2 3.97Å; L1524-L1543 HydrophobicContact CD2-CB 4.38Å; L1524-L1543 HydrophobicContact CD2-CD2 4.05Å; L1527-L1543 HydrophobicContact CB-CD1 3.98Å; M1538-L1543 HydrophobicContact CB-CD2 4.04Å; M1538-L1543 HydrophobicContact CB-CG 4.06Å; M1538-L1543 HydrophobicContact CE-CD2 3.8Å; M1538-L1543 HydrophobicContact CE-CG 4.07Å; D1539-L1543 WeakPolarHBondContact O-CB 3.33Å; D1539-L1543 WeakPolarHBondContact O-CG 3.48Å; D1539-L1543 PolarHBondContact O-N 3.33Å; L1543-T1545 VanDerWaalsContact C-N 3.3Å; L1543-T1545 PolarHBondContact O-N 3.49Å; L1543-V1546 WeakPolarHBondContact O-CG2 3.33Å; L1543-V1546 PolarHBondContact O-N 3.23Å; L1543-I1547 WeakPolarHBondContact O-CB 3.1Å; L1543-I1547 VanDerWaalsContact O-CG1 3.28Å; L1543-I1547 WeakPolarHBondContact O-CG1 3.44Å; L1543-I1547 PolarHBondContact O-N 3.48Å; L1543-I1578 HydrophobicContact CB-CD1 4.29Å
1544S97.2Very high92.6Very high0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-60.4-38.5177.954.40000112.8A1540 R1541 V1546 I1547 A1548 T1571 R1575A1540-S1544 VanDerWaalsContact O-CB 3.28Å; A1540-S1544 WeakPolarHBondContact O-CB 3.34Å; A1540-S1544 PolarHBondContact O-N 2.66Å; A1540-S1544 PolarHBondContact O-OG 2.8Å; R1541-S1544 WeakPolarHBondContact CA-OG 3.34Å; R1541-S1544 PolarHBondContact O-OG 3.39Å; S1544-V1546 VanDerWaalsContact C-N 3.32Å; S1544-V1546 PolarHBondContact O-N 3.25Å; S1544-I1547 PolarHBondContact O-N 3.29Å; S1544-A1548 VanDerWaalsContact O-CB 3.31Å; S1544-A1548 WeakPolarHBondContact O-CB 3.26Å; S1544-A1548 PolarHBondContact O-N 2.85Å; S1544-T1571 VanDerWaalsContact CB-O 3.25Å; S1544-T1571 WeakPolarHBondContact CB-O 3.5Å; S1544-T1571 PolarHBondContact OG-O 2.8Å; S1544-R1575 VanDerWaalsContact CB-N 3.33Å
1545T95.5Very high90.9Very high68 Ų6838.9 Ų38.942%0.41721%0.208SC..Hα-helixtrans-59.4-39.9177.2-560000112.3R1541 N1542 L1543 T1571R1541-T1545 WeakPolarHBondContact O-CB 3.31Å; R1541-T1545 PolarHBondContact O-N 3.44Å; R1541-T1545 VanDerWaalsContact O-N 3.16Å; R1541-T1545 PolarHBondContact O-OG1 3.44Å; N1542-T1545 PolarHBondContact O-N 3.11Å; L1543-T1545 VanDerWaalsContact C-N 3.3Å; L1543-T1545 PolarHBondContact O-N 3.49Å; T1545-T1571 VanDerWaalsContact OG1-CG2 3.29Å; T1545-T1571 WeakPolarHBondContact OG1-CG2 3.48Å
1546V95.6Very high89.2Confident35 Ų3539 Ų3921%0.21222%0.216CC..Hα-helixtrans-89.4-18.4-177.5-57.70000113.7F1277 R1278 M1538 N1542 L1543 S1544 N1550F1277-V1546 HydrophobicContact CB-CG2 3.64Å; R1278-V1546 HydrophobicContact CB-CG1 4.11Å; R1278-V1546 HydrophobicContact CG-CG1 4.33Å; M1538-V1546 HydrophobicContact CE-CG2 3.88Å; N1542-V1546 PolarHBondContact O-N 3.27Å; L1543-V1546 WeakPolarHBondContact O-CG2 3.33Å; L1543-V1546 PolarHBondContact O-N 3.23Å; S1544-V1546 VanDerWaalsContact C-N 3.32Å; S1544-V1546 PolarHBondContact O-N 3.25Å; V1546-N1550 PolarHBondContact O-ND2 3.25Å
1547I96.5Very high87.7Confident0 Ų040 Ų400%022%0.223CC..Hα-helixtrans-91.9-45.8179.4-67.7-66.2000112.6F1277 K1450 L1520 L1524 L1543 S1544 P1549 N1550 I1551 I1574F1277-I1547 HydrophobicContact CD1-CD1 3.82Å; F1277-I1547 HydrophobicContact CD2-CD1 4.41Å; F1277-I1547 HydrophobicContact CE1-CD1 4Å; F1277-I1547 HydrophobicContact CG-CD1 4.03Å; F1277-I1547 HydrophobicContact CZ-CD1 4.36Å; K1450-I1547 HydrophobicContact CG-CD1 4.41Å; L1520-I1547 HydrophobicContact CD2-CG2 4.34Å; L1524-I1547 HydrophobicContact CD1-CB 4.36Å; L1524-I1547 HydrophobicContact CD1-CG1 3.96Å; L1524-I1547 HydrophobicContact CD1-CG2 3.98Å; L1524-I1547 HydrophobicContact CD2-CD1 4.19Å; L1524-I1547 HydrophobicContact CD2-CG1 3.82Å; L1543-I1547 WeakPolarHBondContact O-CB 3.1Å; L1543-I1547 VanDerWaalsContact O-CG1 3.28Å; L1543-I1547 WeakPolarHBondContact O-CG1 3.44Å; L1543-I1547 PolarHBondContact O-N 3.48Å; S1544-I1547 PolarHBondContact O-N 3.29Å; I1547-P1549 VanDerWaalsContact C-CD 3.44Å; I1547-P1549 VanDerWaalsContact O-N 3.15Å; I1547-N1550 WeakPolarHBondContact O-CB 3.49Å; I1547-N1550 PolarHBondContact O-N 2.96Å; I1547-N1550 PolarHBondContact O-ND2 2.78Å; I1547-I1551 HydrophobicContact CG2-CD1 3.74Å; I1547-I1551 HydrophobicContact CG2-CG1 4.19Å; I1547-I1574 HydrophobicContact CG2-CG2 4.47Å
1548A95.3Very high86.3Confident0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-51.2-41.8-169.600000114.8S1544 N1550 I1551 M1552 Q1570 I1574S1544-A1548 VanDerWaalsContact O-CB 3.31Å; S1544-A1548 WeakPolarHBondContact O-CB 3.26Å; S1544-A1548 PolarHBondContact O-N 2.85Å; A1548-N1550 PolarHBondContact O-N 3.22Å; A1548-I1551 PolarHBondContact O-N 2.89Å; A1548-I1551 VanDerWaalsContact O-N 3.12Å; A1548-M1552 PolarHBondContact O-N 2.99Å; A1548-Q1570 HydrophobicContact CB-CB 4.26Å; A1548-I1574 HydrophobicContact CB-CB 4.27Å; A1548-I1574 HydrophobicContact CB-CG1 3.75Å
1549P90.9Very high85.3Confident68 Ų6847.3 Ų47.344%0.44225%0.254SS..Hα-helixtrans-66.5-5.1177.6-21.434.9000115.9I1547I1547-P1549 VanDerWaalsContact C-CD 3.44Å; I1547-P1549 VanDerWaalsContact O-N 3.15Å
1550N92.9Very high84.4Confident16 Ų1649.2 Ų49.29%0.08627%0.269CS..Hα-helixtrans-103.3-12.7177.1-44.2-89.5000112.3L1453 R1454 V1546 I1547 A1548L1453-N1550 CarbonylContact C-O 3.48Å; L1453-N1550 HydrophobicContact CB-CB 4.06Å; R1454-N1550 HydrophobicContact CB-CB 4.03Å; R1454-N1550 PolarHBondContact N-O 3.08Å; V1546-N1550 PolarHBondContact O-ND2 3.25Å; I1547-N1550 WeakPolarHBondContact O-CB 3.49Å; I1547-N1550 PolarHBondContact O-N 2.96Å; I1547-N1550 PolarHBondContact O-ND2 2.78Å; A1548-N1550 PolarHBondContact O-N 3.22Å
1551I93.4Very high83.7Confident0 Ų057.4 Ų57.40%030%0.297CS..Hα-helixtrans-119.7-17.9-178.852.9174.9000113.8L1453 L1460 I1461 L1517 L1520 I1547 A1548 I1574L1453-I1551 HydrophobicContact CB-CG2 4.25Å; L1453-I1551 HydrophobicContact CD1-CG2 4.08Å; L1453-I1551 HydrophobicContact CD2-CG2 3.96Å; L1453-I1551 HydrophobicContact CG-CG2 4.32Å; L1460-I1551 HydrophobicContact CB-CB 4.1Å; L1460-I1551 HydrophobicContact CB-CG2 3.95Å; L1460-I1551 HydrophobicContact CD2-CG2 3.88Å; L1460-I1551 PolarHBondContact N-O 2.95Å; I1461-I1551 PolarHBondContact N-O 3.19Å; L1517-I1551 HydrophobicContact CD1-CD1 4.3Å; L1520-I1551 HydrophobicContact CD2-CD1 4.43Å; L1520-I1551 HydrophobicContact CD2-CG2 3.93Å; I1547-I1551 HydrophobicContact CG2-CD1 3.74Å; I1547-I1551 HydrophobicContact CG2-CG1 4.19Å; A1548-I1551 PolarHBondContact O-N 2.89Å; A1548-I1551 VanDerWaalsContact O-N 3.12Å; I1551-I1574 HydrophobicContact CD1-CD1 3.46Å; I1551-I1574 VanDerWaalsContact CD1-CD1 3.46Å; I1551-I1574 HydrophobicContact CD1-CG1 3.92Å; I1551-I1574 HydrophobicContact CD1-CG2 4.47Å; I1551-I1574 HydrophobicContact CG1-CD1 4.35Å
1552M91.2Very high82.9Confident3 Ų353.6 Ų53.62%0.01529%0.285CS..  trans-114.7148.4169.5-60.9178.98500109.7I1461 Q1466 C1469 L1470 A1548 Q1570 F1573I1461-M1552 HydrophobicContact CB-CG 4.12Å; I1461-M1552 HydrophobicContact CD1-CG 3.77Å; I1461-M1552 HydrophobicContact CD1-SD 4.13Å; I1461-M1552 HydrophobicContact CG1-CG 4.44Å; I1461-M1552 HydrophobicContact CG2-CE 4.49Å; Q1466-M1552 HydrophobicContact CB-CE 4.07Å; Q1466-M1552 HydrophobicContact CG-CB 4.49Å; Q1466-M1552 HydrophobicContact CG-CE 3.73Å; Q1466-M1552 HydrophobicContact CG-CG 4.5Å; C1469-M1552 HydrophobicContact CB-CE 4.14Å; L1470-M1552 HydrophobicContact CD2-CE 3.74Å; L1470-M1552 HydrophobicContact CG-CE 4.27Å; A1548-M1552 PolarHBondContact O-N 2.99Å; M1552-Q1570 HydrophobicContact CB-CG 4.29Å; M1552-Q1570 HydrophobicContact CE-CG 4.11Å; M1552-Q1570 HydrophobicContact SD-CB 4.05Å; M1552-Q1570 HydrophobicContact SD-CG 3.83Å; M1552-F1573 HydrophobicContact SD-CD1 4.38Å
1553R78.6Confident82Confident44 Ų4453.6 Ų53.617%0.16629%0.285CS..  trans-129.7103.8179.3-79.9-179.5-177.5150.64.8110.7N1206 R1454 L1456 S1457 P1459 Q1466 S1555N1206-R1553 PolarHBondContact ND2-NH1 3.13Å; N1206-R1553 VanDerWaalsContact ND2-NH1 3.16Å; N1206-R1553 PolarHBondContact ND2-NH2 2.82Å; N1206-R1553 PolarHBondContact OD1-NH1 2.98Å; R1454-R1553 PolarHBondContact O-NH2 2.61Å; L1456-R1553 PolarHBondContact O-NH1 2.89Å; L1456-R1553 PolarHBondContact O-NH2 3.26Å; S1457-R1553 PolarHBondContact O-NH1 2.83Å; P1459-R1553 HydrophobicContact CB-CB 4.27Å; P1459-R1553 HydrophobicContact CB-CG 3.97Å; P1459-R1553 HydrophobicContact CG-CB 4.32Å; P1459-R1553 HydrophobicContact CG-CG 4.39Å; Q1466-R1553 PolarHBondContact NE2-O 2.98Å; Q1466-R1553 VanDerWaalsContact OE1-C 3.26Å; Q1466-R1553 VanDerWaalsContact OE1-N 3.15Å; Q1466-R1553 PolarHBondContact OE1-O 2.99Å; Q1466-R1553 VanDerWaalsContact OE1-O 3.08Å; R1553-S1555 VanDerWaalsContact C-N 3.31Å; R1553-S1555 WeakPolarHBondContact O-CB 3.36Å; R1553-S1555 PolarHBondContact O-N 3.36Å; R1553-S1555 PolarHBondContact O-OG 2.89Å
1554S66.8Low81.2Confident45 Ų4560.1 Ų60.132%0.31532%0.319SS..  trans-60.887.7168.1-42.70000110L1563 Q1570S1554-L1563 VanDerWaalsContact CB-CD2 3.4Å; S1554-L1563 WeakPolarHBondContact O-CD2 3.44Å; S1554-Q1570 PolarHBondContact OG-NE2 3.41Å
1555S58.3Low80.6Confident67 Ų6766.8 Ų66.847%0.46935%0.35SS..  trans-140.2-7.4-163.454.10000115.9V1463 R1553V1463-S1555 VanDerWaalsContact CG1-OG 3.32Å; V1463-S1555 WeakPolarHBondContact CG1-OG 3.41Å; V1463-S1555 WeakPolarHBondContact CG2-OG 3.48Å; R1553-S1555 VanDerWaalsContact C-N 3.31Å; R1553-S1555 WeakPolarHBondContact O-CB 3.36Å; R1553-S1555 PolarHBondContact O-N 3.36Å; R1553-S1555 PolarHBondContact O-OG 2.89Å
1556T56.2Low80.3Confident101 Ų10165 Ų6562%0.6234%0.339SS*.SBendtrans-73.4-44.9165.437.10000111.9V1463V1463-T1556 HydrophobicContact CG1-CG2 3.85Å
1557S61.3Low80Confident21 Ų2166.4 Ų66.415%0.14735%0.347CS..  trans-86.2146.2-177.8-165.70000113.7D1559 E1562S1557-D1559 PolarHBondContact OG-N 3.3Å; S1557-E1562 WeakPolarHBondContact CB-OE1 3.42Å; S1557-E1562 WeakPolarHBondContact CB-OE2 3.47Å; S1557-E1562 VanDerWaalsContact OG-CD 3.26Å; S1557-E1562 PolarHBondContact OG-OE2 2.73Å
1558K65.9Low79.8Confident177 Ų17772.2 Ų72.277%0.7737%0.372SS*.  trans-106.5-2.8171.3-65.3174.3-177.5170.90112.1P1560K1558-P1560 WeakPolarHBondContact O-CD 3.44Å
1559D74.6Confident79.7Confident68 Ų6872.8 Ų72.836%0.36438%0.376SS..  trans-84.5117.1177-176.3-3.6000110.7S1557 R1561 E1562 L1563S1557-D1559 PolarHBondContact OG-N 3.3Å; D1559-R1561 PolarHBondContact O-N 3.24Å; D1559-R1561 VanDerWaalsContact O-N 3.08Å; D1559-R1561 WeakPolarHBondContact OD1-CB 3.18Å; D1559-R1561 WeakPolarHBondContact OD1-CG 3.36Å; D1559-R1561 PolarHBondContact OD1-N 3.15Å; D1559-E1562 HydrophobicContact CB-CB 4.32Å; D1559-E1562 PolarHBondContact O-N 2.75Å; D1559-E1562 VanDerWaalsContact O-N 3.17Å; D1559-L1563 WeakPolarHBondContact O-CG 3.33Å; D1559-L1563 PolarHBondContact O-N 2.71Å
1560P76.9Confident79.9Confident98 Ų9869.8 Ų69.864%0.63636%0.356SS*.Hα-helixtrans-57.6-21175.125.3-35.6000114.3K1558 L1564K1558-P1560 WeakPolarHBondContact O-CD 3.44Å; P1560-L1564 WeakPolarHBondContact O-CB 3.44Å; P1560-L1564 PolarHBondContact O-N 2.86Å; P1560-L1564 VanDerWaalsContact O-N 3.13Å
1561R81Confident80Confident187 Ų18770.1 Ų70.171%0.70636%0.358SS*.Hα-helixtrans-69.3-50174.8-59.2171.4-179.8-168.91.3111.4D1559 L1564 Q1565D1559-R1561 PolarHBondContact O-N 3.24Å; D1559-R1561 VanDerWaalsContact O-N 3.08Å; D1559-R1561 WeakPolarHBondContact OD1-CB 3.18Å; D1559-R1561 WeakPolarHBondContact OD1-CG 3.36Å; D1559-R1561 PolarHBondContact OD1-N 3.15Å; R1561-L1564 PolarHBondContact O-N 2.78Å; R1561-Q1565 WeakPolarHBondContact O-CG 3.46Å; R1561-Q1565 PolarHBondContact O-N 2.84Å
1562E78.4Confident80.1Confident72 Ų7270.8 Ų70.834%0.33636%0.362SS..Hα-helixtrans-66.2-40.8178.7-160.4-158.1129.400110.8S1557 D1559 L1564 Q1565 N1566S1557-E1562 WeakPolarHBondContact CB-OE1 3.42Å; S1557-E1562 WeakPolarHBondContact CB-OE2 3.47Å; S1557-E1562 VanDerWaalsContact OG-CD 3.26Å; S1557-E1562 PolarHBondContact OG-OE2 2.73Å; D1559-E1562 HydrophobicContact CB-CB 4.32Å; D1559-E1562 PolarHBondContact O-N 2.75Å; D1559-E1562 VanDerWaalsContact O-N 3.17Å; E1562-L1564 PolarHBondContact O-N 2.82Å; E1562-Q1565 PolarHBondContact O-N 3.33Å; E1562-N1566 WeakPolarHBondContact O-CB 3.48Å; E1562-N1566 VanDerWaalsContact O-CG 3.3Å; E1562-N1566 PolarHBondContact O-N 2.89Å; E1562-N1566 PolarHBondContact O-ND2 3.15Å; E1562-N1566 PolarHBondContact OE1-ND2 3.15Å
1563L78Confident80.3Confident56 Ų5670.8 Ų70.829%0.29336%0.362SS..Hα-helixtrans-56.2-38.4172.4-64.9178.3000112.2S1554 D1559 V1567S1554-L1563 VanDerWaalsContact CB-CD2 3.4Å; S1554-L1563 WeakPolarHBondContact O-CD2 3.44Å; D1559-L1563 WeakPolarHBondContact O-CG 3.33Å; D1559-L1563 PolarHBondContact O-N 2.71Å; L1563-V1567 WeakPolarHBondContact O-CG2 3.49Å
1564L81.7Confident81.2Confident137 Ų13768.7 Ų68.772%0.71735%0.354SS*.Hα-helixtrans-75.9-40.4177.5-155.882.3000112.4P1560 R1561 E1562 N1566 V1567P1560-L1564 WeakPolarHBondContact O-CB 3.44Å; P1560-L1564 PolarHBondContact O-N 2.86Å; P1560-L1564 VanDerWaalsContact O-N 3.13Å; R1561-L1564 PolarHBondContact O-N 2.78Å; E1562-L1564 PolarHBondContact O-N 2.82Å; L1564-N1566 VanDerWaalsContact C-N 3.31Å; L1564-N1566 PolarHBondContact O-N 3.35Å; L1564-V1567 PolarHBondContact O-N 2.82Å
1565Q84.5Confident82.7Confident139 Ų13967.6 Ų67.665%0.6534%0.343SS*.Hα-helixtrans-60.9-40.7176.8-75.5169.6-1500111.5R1561 E1562 V1567 P1569R1561-Q1565 WeakPolarHBondContact O-CG 3.46Å; R1561-Q1565 PolarHBondContact O-N 2.84Å; E1562-Q1565 PolarHBondContact O-N 3.33Å; Q1565-V1567 VanDerWaalsContact C-N 3.26Å; Q1565-V1567 PolarHBondContact O-N 2.8Å; Q1565-P1569 WeakPolarHBondContact O-CD 3.08Å
1566N87.6Confident84.5Confident32 Ų3264.4 Ų64.417%0.17132%0.321CS..THydrogen-bonded Turntrans-67.5-18.1-178.3-75-31.9000114.5L1470 E1562 L1564 K1568 P1569 Q1570L1470-N1566 HydrophobicContact CD1-CB 4.09Å; E1562-N1566 WeakPolarHBondContact O-CB 3.48Å; E1562-N1566 VanDerWaalsContact O-CG 3.3Å; E1562-N1566 PolarHBondContact O-N 2.89Å; E1562-N1566 PolarHBondContact O-ND2 3.15Å; E1562-N1566 PolarHBondContact OE1-ND2 3.15Å; L1564-N1566 VanDerWaalsContact C-N 3.31Å; L1564-N1566 PolarHBondContact O-N 3.35Å; N1566-K1568 VanDerWaalsContact C-N 3.28Å; N1566-K1568 PolarHBondContact O-N 3.08Å; N1566-P1569 VanDerWaalsContact O-CD 3.3Å; N1566-P1569 WeakPolarHBondContact O-CD 3.44Å; N1566-P1569 WeakPolarHBondContact O-CG 3.39Å; N1566-Q1570 WeakPolarHBondContact O-CB 3.44Å; N1566-Q1570 WeakPolarHBondContact O-CG 3.11Å; N1566-Q1570 PolarHBondContact O-N 3.2Å
1567V90.6Very high86.5Confident64 Ų6459.6 Ų59.639%0.38829%0.291SS..Hα-helixtrans-61.3-36.5179.4-178.20000112.1L1563 L1564 Q1565 T1571L1563-V1567 WeakPolarHBondContact O-CG2 3.49Å; L1564-V1567 PolarHBondContact O-N 2.82Å; Q1565-V1567 VanDerWaalsContact C-N 3.26Å; Q1565-V1567 PolarHBondContact O-N 2.8Å; V1567-T1571 WeakPolarHBondContact O-CB 3.43Å; V1567-T1571 PolarHBondContact O-N 3.16Å; V1567-T1571 PolarHBondContact O-OG1 3.27Å
1568K92.1Very high88.2Confident121 Ų12158.8 Ų58.853%0.52629%0.285SS..Hα-helixtrans-66.8-56.5179.2-169.2-162.6-176.7-152.60112E1477 N1566 Q1570 T1571 L1572E1477-K1568 WeakPolarHBondContact OE1-CE 3.35Å; E1477-K1568 IonicContact OE1-NZ 2.93Å; E1477-K1568 PolarHBondContact OE1-NZ 3.18Å; E1477-K1568 WeakPolarHBondContact OE2-CE 3.46Å; E1477-K1568 IonicContact OE2-NZ 2.74Å; E1477-K1568 PolarHBondContact OE2-NZ 2.75Å; N1566-K1568 VanDerWaalsContact C-N 3.28Å; N1566-K1568 PolarHBondContact O-N 3.08Å; K1568-Q1570 VanDerWaalsContact C-N 3.3Å; K1568-Q1570 PolarHBondContact O-N 2.97Å; K1568-T1571 WeakPolarHBondContact O-CB 3.36Å; K1568-T1571 PolarHBondContact O-N 2.91Å; K1568-L1572 WeakPolarHBondContact O-CB 3.35Å; K1568-L1572 PolarHBondContact O-N 3.5Å
1569P93.5Very high89.7Confident12 Ų1253.4 Ų53.48%0.07827%0.267CS..Hα-helixtrans-65.2-27.6176.923.4-31.9000113.8L1470 A1473 Q1565 N1566 L1572 F1573L1470-P1569 HydrophobicContact CB-CB 4.08Å; L1470-P1569 HydrophobicContact CB-CG 4.3Å; L1470-P1569 HydrophobicContact CD2-CB 3.8Å; L1470-P1569 HydrophobicContact CD2-CG 4.04Å; L1470-P1569 HydrophobicContact CG-CB 4.48Å; A1473-P1569 HydrophobicContact CB-CB 4.38Å; Q1565-P1569 WeakPolarHBondContact O-CD 3.08Å; N1566-P1569 VanDerWaalsContact O-CD 3.3Å; N1566-P1569 WeakPolarHBondContact O-CD 3.44Å; N1566-P1569 WeakPolarHBondContact O-CG 3.39Å; P1569-L1572 PolarHBondContact O-N 3.18Å; P1569-F1573 WeakPolarHBondContact O-CB 3.13Å; P1569-F1573 PolarHBondContact O-N 2.79Å
1570Q93.8Very high90.7Very high6 Ų655.2 Ų55.23%0.02827%0.27CS..Hα-helixtrans-62.2-51171-76.5173.8-10.800111.3L1470 A1548 M1552 S1554 N1566 K1568 L1572 F1573 I1574L1470-Q1570 HydrophobicContact CD2-CB 4.19Å; L1470-Q1570 HydrophobicContact CD2-CG 3.5Å; L1470-Q1570 VanDerWaalsContact CD2-CG 3.5Å; L1470-Q1570 VanDerWaalsContact CD2-N 3.34Å; A1548-Q1570 HydrophobicContact CB-CB 4.26Å; M1552-Q1570 HydrophobicContact CB-CG 4.29Å; M1552-Q1570 HydrophobicContact CE-CG 4.11Å; M1552-Q1570 HydrophobicContact SD-CB 4.05Å; M1552-Q1570 HydrophobicContact SD-CG 3.83Å; S1554-Q1570 PolarHBondContact OG-NE2 3.41Å; N1566-Q1570 WeakPolarHBondContact O-CB 3.44Å; N1566-Q1570 WeakPolarHBondContact O-CG 3.11Å; N1566-Q1570 PolarHBondContact O-N 3.2Å; K1568-Q1570 VanDerWaalsContact C-N 3.3Å; K1568-Q1570 PolarHBondContact O-N 2.97Å; Q1570-L1572 VanDerWaalsContact C-N 3.28Å; Q1570-L1572 PolarHBondContact O-N 3.45Å; Q1570-F1573 PolarHBondContact O-N 2.92Å; Q1570-I1574 PolarHBondContact O-N 2.98Å
1571T95.4Very high91.5Very high22 Ų2250.8 Ų50.814%0.13524%0.24CC..Hα-helixtrans-59-42.2175.5-60.50000111S1544 T1545 V1567 K1568 R1575S1544-T1571 VanDerWaalsContact CB-O 3.25Å; S1544-T1571 WeakPolarHBondContact CB-O 3.5Å; S1544-T1571 PolarHBondContact OG-O 2.8Å; T1545-T1571 VanDerWaalsContact OG1-CG2 3.29Å; T1545-T1571 WeakPolarHBondContact OG1-CG2 3.48Å; V1567-T1571 WeakPolarHBondContact O-CB 3.43Å; V1567-T1571 PolarHBondContact O-N 3.16Å; V1567-T1571 PolarHBondContact O-OG1 3.27Å; K1568-T1571 WeakPolarHBondContact O-CB 3.36Å; K1568-T1571 PolarHBondContact O-N 2.91Å; T1571-R1575 PolarHBondContact O-N 3.41Å
1572L95.6Very high92.1Very high14 Ų1446 Ų467%0.07323%0.229CC..Hα-helixtrans-66.9-47.1-179.6-175.763.6000112.7A1473 E1477 K1568 P1569 Q1570 I1574 R1575 L1576A1473-L1572 HydrophobicContact CB-CB 4.39Å; A1473-L1572 HydrophobicContact CB-CD2 4.19Å; A1473-L1572 HydrophobicContact CB-CG 4.27Å; A1473-L1572 WeakPolarHBondContact O-CD2 3.49Å; E1477-L1572 HydrophobicContact CB-CD2 3.52Å; E1477-L1572 HydrophobicContact CG-CD1 4.37Å; E1477-L1572 HydrophobicContact CG-CD2 3.62Å; K1568-L1572 WeakPolarHBondContact O-CB 3.35Å; K1568-L1572 PolarHBondContact O-N 3.5Å; P1569-L1572 PolarHBondContact O-N 3.18Å; Q1570-L1572 VanDerWaalsContact C-N 3.28Å; Q1570-L1572 PolarHBondContact O-N 3.45Å; L1572-I1574 VanDerWaalsContact C-N 3.29Å; L1572-I1574 PolarHBondContact O-N 3.23Å; L1572-R1575 WeakPolarHBondContact O-CB 3.23Å; L1572-R1575 PolarHBondContact O-N 3.28Å; L1572-R1575 VanDerWaalsContact O-N 3.07Å; L1572-L1576 HydrophobicContact CD1-CG 4.5Å; L1572-L1576 HydrophobicContact CG-CD1 4.15Å; L1572-L1576 HydrophobicContact CG-CG 4.47Å; L1572-L1576 WeakPolarHBondContact O-CG 3.32Å; L1572-L1576 PolarHBondContact O-N 3.16Å
1573F96.8Very high92.6Very high3 Ų343 Ų431%0.01322%0.215CC..Hα-helixtrans-54.9-46.7178.5-175.9-106.7000111.1I1461 C1469 A1473 C1502 L1505 M1552 P1569 Q1570 L1576 L1577I1461-F1573 HydrophobicContact CD1-CD1 4.21Å; I1461-F1573 HydrophobicContact CD1-CE1 3.87Å; C1469-F1573 HydrophobicContact CB-CD1 4.02Å; C1469-F1573 HydrophobicContact CB-CD2 3.79Å; C1469-F1573 HydrophobicContact CB-CE1 3.92Å; C1469-F1573 HydrophobicContact CB-CE2 3.67Å; C1469-F1573 HydrophobicContact CB-CG 3.98Å; C1469-F1573 HydrophobicContact CB-CZ 3.75Å; C1469-F1573 WeakPolarHBondContact O-CD2 3.22Å; C1469-F1573 VanDerWaalsContact SG-CZ 3.5Å; A1473-F1573 HydrophobicContact CB-CB 3.89Å; A1473-F1573 HydrophobicContact CB-CD2 4.35Å; C1502-F1573 HydrophobicContact CB-CD2 4.11Å; C1502-F1573 HydrophobicContact CB-CE2 3.9Å; C1502-F1573 WeakPolarHBondContact O-CE2 3.24Å; L1505-F1573 HydrophobicContact CB-CZ 4.45Å; L1505-F1573 HydrophobicContact CD1-CE2 4.43Å; M1552-F1573 HydrophobicContact SD-CD1 4.38Å; P1569-F1573 WeakPolarHBondContact O-CB 3.13Å; P1569-F1573 PolarHBondContact O-N 2.79Å; Q1570-F1573 PolarHBondContact O-N 2.92Å; F1573-L1576 WeakPolarHBondContact O-CB 3.17Å; F1573-L1576 PolarHBondContact O-N 2.98Å; F1573-L1577 HydrophobicContact CD1-CD1 4.29Å; F1573-L1577 HydrophobicContact CE1-CD1 3.72Å; F1573-L1577 HydrophobicContact CE1-CG 4.26Å; F1573-L1577 HydrophobicContact CZ-CD1 4.14Å; F1573-L1577 HydrophobicContact CZ-CD2 4.37Å; F1573-L1577 HydrophobicContact CZ-CG 4.4Å; F1573-L1577 WeakPolarHBondContact O-CG 3.32Å; F1573-L1577 PolarHBondContact O-N 3.44Å
1574I97.4Very high93Very high0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-69.7-33.6178.2-57.9-54.8000112I1461 I1547 A1548 I1551 Q1570 L1572 L1577 I1578I1461-I1574 HydrophobicContact CD1-CD1 3.95Å; I1547-I1574 HydrophobicContact CG2-CG2 4.47Å; A1548-I1574 HydrophobicContact CB-CB 4.27Å; A1548-I1574 HydrophobicContact CB-CG1 3.75Å; I1551-I1574 HydrophobicContact CD1-CD1 3.46Å; I1551-I1574 VanDerWaalsContact CD1-CD1 3.46Å; I1551-I1574 HydrophobicContact CD1-CG1 3.92Å; I1551-I1574 HydrophobicContact CD1-CG2 4.47Å; I1551-I1574 HydrophobicContact CG1-CD1 4.35Å; Q1570-I1574 PolarHBondContact O-N 2.98Å; L1572-I1574 VanDerWaalsContact C-N 3.29Å; L1572-I1574 PolarHBondContact O-N 3.23Å; I1574-L1577 HydrophobicContact CD1-CD1 4.28Å; I1574-L1577 PolarHBondContact O-N 3.41Å; I1574-I1578 HydrophobicContact CG2-CD1 4.06Å; I1574-I1578 VanDerWaalsContact O-CG1 3.28Å; I1574-I1578 WeakPolarHBondContact O-CG1 3.22Å; I1574-I1578 PolarHBondContact O-N 3.05Å
1575R97.5Very high93.4Very high22 Ų2240.6 Ų40.68%0.08320%0.203CC..Hα-helixtrans-61.5-44.4170.3-170.9-166.759.574.18.1111.1E1480 A1540 S1544 T1571 L1572 L1577 I1578 T1579E1480-R1575 IonicContact OE1-CZ 2.66Å; E1480-R1575 IonicContact OE1-NH1 3.2Å; E1480-R1575 PolarHBondContact OE1-NH1 2.87Å; E1480-R1575 IonicContact OE1-NH2 2.85Å; E1480-R1575 PolarHBondContact OE1-NH2 3.11Å; E1480-R1575 IonicContact OE2-CZ 3.75Å; E1480-R1575 VanDerWaalsContact OE2-CZ 3.31Å; E1480-R1575 IonicContact OE2-NH1 3.85Å; E1480-R1575 IonicContact OE2-NH2 4Å; E1480-R1575 PolarHBondContact OE2-NH2 3.3Å; A1540-R1575 HydrophobicContact CB-CG 4.34Å; S1544-R1575 VanDerWaalsContact CB-N 3.33Å; T1571-R1575 PolarHBondContact O-N 3.41Å; L1572-R1575 WeakPolarHBondContact O-CB 3.23Å; L1572-R1575 PolarHBondContact O-N 3.28Å; L1572-R1575 VanDerWaalsContact O-N 3.07Å; R1575-L1577 VanDerWaalsContact C-N 3.34Å; R1575-L1577 PolarHBondContact O-N 3.27Å; R1575-I1578 PolarHBondContact O-N 3.29Å; R1575-T1579 WeakPolarHBondContact O-CB 3.34Å; R1575-T1579 PolarHBondContact O-N 3.38Å; R1575-T1579 PolarHBondContact O-OG1 3.25Å
1576L96.9Very high93.8Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-61.8-42179.4-67.7167.8000111.2A1473 A1476 E1480 I1499 C1502 L1572 F1573 T1579 Y1580A1473-L1576 HydrophobicContact CB-CD1 4.33Å; A1476-L1576 HydrophobicContact CB-CD1 3.55Å; A1476-L1576 HydrophobicContact CB-CD2 4.4Å; E1480-L1576 WeakPolarHBondContact OE1-CD2 3.19Å; I1499-L1576 HydrophobicContact CG1-CD2 4.36Å; I1499-L1576 HydrophobicContact CG2-CD2 4.41Å; C1502-L1576 HydrophobicContact CB-CD1 4.32Å; L1572-L1576 HydrophobicContact CD1-CG 4.5Å; L1572-L1576 HydrophobicContact CG-CD1 4.15Å; L1572-L1576 HydrophobicContact CG-CG 4.47Å; L1572-L1576 WeakPolarHBondContact O-CG 3.32Å; L1572-L1576 PolarHBondContact O-N 3.16Å; F1573-L1576 WeakPolarHBondContact O-CB 3.17Å; F1573-L1576 PolarHBondContact O-N 2.98Å; L1576-T1579 PolarHBondContact O-N 2.63Å; L1576-Y1580 HydrophobicContact CD2-CD2 3.93Å; L1576-Y1580 HydrophobicContact CD2-CE2 3.76Å; L1576-Y1580 WeakPolarHBondContact O-CD2 3.36Å; L1576-Y1580 PolarHBondContact O-N 3.44Å
1577L97.7Very high93.7Very high0 Ų033 Ų330%017%0.167CC..Hα-helixtrans-63.1-46173.6-62.9-172.3000112.2V1506 L1517 I1521 F1573 I1574 R1575 T1579 L1581V1506-L1577 HydrophobicContact CG2-CD1 3.88Å; V1506-L1577 HydrophobicContact CG2-CD2 3.65Å; V1506-L1577 HydrophobicContact CG2-CG 4.44Å; L1517-L1577 HydrophobicContact CD2-CD1 4.28Å; I1521-L1577 HydrophobicContact CD1-CB 3.9Å; I1521-L1577 HydrophobicContact CD1-CD1 4.34Å; I1521-L1577 HydrophobicContact CG1-CB 4.34Å; F1573-L1577 HydrophobicContact CD1-CD1 4.29Å; F1573-L1577 HydrophobicContact CE1-CD1 3.72Å; F1573-L1577 HydrophobicContact CE1-CG 4.26Å; F1573-L1577 HydrophobicContact CZ-CD1 4.14Å; F1573-L1577 HydrophobicContact CZ-CD2 4.37Å; F1573-L1577 HydrophobicContact CZ-CG 4.4Å; F1573-L1577 WeakPolarHBondContact O-CG 3.32Å; F1573-L1577 PolarHBondContact O-N 3.44Å; I1574-L1577 HydrophobicContact CD1-CD1 4.28Å; I1574-L1577 PolarHBondContact O-N 3.41Å; R1575-L1577 VanDerWaalsContact C-N 3.34Å; R1575-L1577 PolarHBondContact O-N 3.27Å; L1577-T1579 VanDerWaalsContact C-N 3.29Å; L1577-T1579 PolarHBondContact O-N 3.06Å; L1577-L1581 HydrophobicContact CB-CB 4.42Å; L1577-L1581 HydrophobicContact CB-CD2 4.48Å; L1577-L1581 HydrophobicContact CD2-CB 4.46Å; L1577-L1581 HydrophobicContact CD2-CD1 4.19Å; L1577-L1581 HydrophobicContact CD2-CD2 4.31Å; L1577-L1581 WeakPolarHBondContact O-CB 3.27Å; L1577-L1581 PolarHBondContact O-N 2.84Å
1578I97.3Very high93.6Very high5 Ų536.3 Ų36.33%0.02618%0.176CC..Hα-helixtrans-60.7-40.3176.2-63.5164000110.8I1521 L1524 Q1525 A1540 L1543 I1574 R1575I1521-I1578 HydrophobicContact CD1-CG1 4.27Å; L1524-I1578 HydrophobicContact CB-CD1 3.93Å; L1524-I1578 HydrophobicContact CB-CG1 3.93Å; L1524-I1578 HydrophobicContact CD1-CD1 4.2Å; Q1525-I1578 HydrophobicContact CG-CG2 4.21Å; Q1525-I1578 WeakPolarHBondContact CG-O 3.29Å; Q1525-I1578 PolarHBondContact NE2-O 2.83Å; A1540-I1578 HydrophobicContact CB-CB 4.22Å; A1540-I1578 HydrophobicContact CB-CG2 3.63Å; L1543-I1578 HydrophobicContact CB-CD1 4.29Å; I1574-I1578 HydrophobicContact CG2-CD1 4.06Å; I1574-I1578 VanDerWaalsContact O-CG1 3.28Å; I1574-I1578 WeakPolarHBondContact O-CG1 3.22Å; I1574-I1578 PolarHBondContact O-N 3.05Å; R1575-I1578 PolarHBondContact O-N 3.29Å
1579T95.8Very high93.4Very high63 Ų6335.4 Ų35.439%0.38717%0.17SC..Hα-helixtrans-79.9-33.4-173-46.40000113.6R1575 L1576 L1577R1575-T1579 WeakPolarHBondContact O-CB 3.34Å; R1575-T1579 PolarHBondContact O-N 3.38Å; R1575-T1579 PolarHBondContact O-OG1 3.25Å; L1576-T1579 PolarHBondContact O-N 2.63Å; L1577-T1579 VanDerWaalsContact C-N 3.29Å; L1577-T1579 PolarHBondContact O-N 3.06Å
1580Y95.5Very high93.2Very high107 Ų10734.9 Ų34.942%0.4217%0.166SC..Hα-helixtrans-132.8-5.1-165.8-55.1-70.5000116.2E1480 I1499 L1576 D1582E1480-Y1580 WeakPolarHBondContact OE1-CE2 3.5Å; E1480-Y1580 PolarHBondContact OE1-OH 3.15Å; I1499-Y1580 HydrophobicContact CD1-CE2 4.14Å; I1499-Y1580 HydrophobicContact CG2-CD1 4.29Å; I1499-Y1580 HydrophobicContact CG2-CD2 3.3Å; I1499-Y1580 HydrophobicContact CG2-CE2 3.88Å; I1499-Y1580 HydrophobicContact CG2-CG 3.54Å; L1576-Y1580 HydrophobicContact CD2-CD2 3.93Å; L1576-Y1580 HydrophobicContact CD2-CE2 3.76Å; L1576-Y1580 WeakPolarHBondContact O-CD2 3.36Å; L1576-Y1580 PolarHBondContact O-N 3.44Å; Y1580-D1582 PolarHBondContact O-N 2.77Å
1581L95.1Very high92.8Very high4 Ų438 Ų382%0.02118%0.18CC..  trans-77112.4179.2-167.568.9000110.7C1503 V1506 L1518 I1521 Q1525 L1577 I1583 E1586C1503-L1581 HydrophobicContact CB-CD1 3.69Å; V1506-L1581 HydrophobicContact CG2-CD1 4.22Å; V1506-L1581 HydrophobicContact CG2-CD2 4.23Å; L1518-L1581 HydrophobicContact CD2-CD2 3.8Å; I1521-L1581 HydrophobicContact CG2-CD2 4.27Å; Q1525-L1581 PolarHBondContact NE2-O 2.89Å; L1577-L1581 HydrophobicContact CB-CB 4.42Å; L1577-L1581 HydrophobicContact CB-CD2 4.48Å; L1577-L1581 HydrophobicContact CD2-CB 4.46Å; L1577-L1581 HydrophobicContact CD2-CD1 4.19Å; L1577-L1581 HydrophobicContact CD2-CD2 4.31Å; L1577-L1581 WeakPolarHBondContact O-CB 3.27Å; L1577-L1581 PolarHBondContact O-N 2.84Å; L1581-I1583 PolarHBondContact O-N 3Å; L1581-E1586 HydrophobicContact CD1-CG 3.84Å; L1581-E1586 HydrophobicContact CG-CG 4.38Å
1582D93.2Very high92.4Very high88 Ų8840.9 Ų40.947%0.47119%0.192SC..  trans-75.4111.3168.3-172.4-34.9000109.7Y1580 E1584 V1585 E1586Y1580-D1582 PolarHBondContact O-N 2.77Å; D1582-E1584 PolarHBondContact OD1-N 2.92Å; D1582-V1585 HydrophobicContact CB-CB 4Å; D1582-V1585 HydrophobicContact CB-CG2 4.17Å; D1582-V1585 VanDerWaalsContact CG-CG2 3.41Å; D1582-V1585 PolarHBondContact OD1-N 2.85Å; D1582-V1585 WeakPolarHBondContact OD2-CG2 3.46Å; D1582-E1586 WeakPolarHBondContact O-CG 3.48Å; D1582-E1586 PolarHBondContact O-N 3.08Å; D1582-E1586 VanDerWaalsContact O-N 3.11Å
1583I89.7Confident91.9Very high7 Ų743.5 Ų43.54%0.03620%0.204CC..Hα-helixtrans-81.2-28.8-175.7-60.2-174.5000111.6L1372 L1377 L1518 I1521 L1522 L1581 L1587L1372-I1583 HydrophobicContact CD2-CG2 4.44Å; L1377-I1583 HydrophobicContact CD1-CG2 4.33Å; L1518-I1583 HydrophobicContact CB-CG2 4.48Å; L1518-I1583 HydrophobicContact CD2-CG1 4.42Å; L1518-I1583 HydrophobicContact CD2-CG2 4.42Å; I1521-I1583 HydrophobicContact CB-CD1 4.25Å; I1521-I1583 HydrophobicContact CG2-CD1 4.11Å; L1522-I1583 HydrophobicContact CB-CD1 3.62Å; L1522-I1583 HydrophobicContact CD1-CD1 4.12Å; L1522-I1583 HydrophobicContact CG-CD1 4.42Å; L1581-I1583 PolarHBondContact O-N 3Å; I1583-L1587 WeakPolarHBondContact O-CB 3.49Å; I1583-L1587 PolarHBondContact O-N 2.62Å
1584E86.5Confident91.3Very high81 Ų8144.6 Ų44.638%0.37921%0.209SC..Hα-helixtrans-67.2-44.2174.8-72.6-175.1-164.800109.9T1371 L1372 D1582 K1588T1371-E1584 VanDerWaalsContact CB-OE2 3.3Å; T1371-E1584 WeakPolarHBondContact CB-OE2 3.25Å; T1371-E1584 PolarHBondContact N-OE1 2.88Å; T1371-E1584 VanDerWaalsContact OG1-CD 3.25Å; T1371-E1584 PolarHBondContact OG1-OE1 3.12Å; T1371-E1584 VanDerWaalsContact OG1-OE1 3.13Å; T1371-E1584 PolarHBondContact OG1-OE2 2.77Å; L1372-E1584 HydrophobicContact CB-CG 3.85Å; L1372-E1584 WeakPolarHBondContact CB-OE1 3.49Å; L1372-E1584 HydrophobicContact CD1-CG 3.76Å; L1372-E1584 HydrophobicContact CG-CG 4.33Å; L1372-E1584 PolarHBondContact N-OE1 2.86Å; D1582-E1584 PolarHBondContact OD1-N 2.92Å; E1584-K1588 PolarHBondContact O-N 3.16Å
1585V90.1Very high90.5Very high62 Ų6249.9 Ų49.938%0.37623%0.233SC..Hα-helixtrans-64.8-48.8176.4171.30000111.9D1582 L1587 K1588 Y1589D1582-V1585 HydrophobicContact CB-CB 4Å; D1582-V1585 HydrophobicContact CB-CG2 4.17Å; D1582-V1585 VanDerWaalsContact CG-CG2 3.41Å; D1582-V1585 PolarHBondContact OD1-N 2.85Å; D1582-V1585 WeakPolarHBondContact OD2-CG2 3.46Å; V1585-L1587 VanDerWaalsContact C-N 3.33Å; V1585-L1587 PolarHBondContact O-N 2.9Å; V1585-K1588 PolarHBondContact O-N 3.47Å; V1585-Y1589 HydrophobicContact CG1-CD2 4.02Å; V1585-Y1589 HydrophobicContact CG1-CE2 3.58Å; V1585-Y1589 WeakPolarHBondContact O-CD2 3.38Å; V1585-Y1589 PolarHBondContact O-N 3.41Å
1586E91.4Very high89.7Confident6 Ų651.7 Ų51.73%0.02825%0.253CS..Hα-helixtrans-66.6-33.1178.8-76.9-56.7143.600113.6R1507 R1514 L1518 L1581 D1582 Y1589 L1590R1507-E1586 VanDerWaalsContact CG-OE2 3.28Å; R1507-E1586 WeakPolarHBondContact CG-OE2 3.18Å; R1507-E1586 IonicContact CZ-OE1 3.1Å; R1507-E1586 IonicContact CZ-OE2 2.64Å; R1507-E1586 IonicContact NE-OE1 3.97Å; R1507-E1586 PolarHBondContact NE-OE1 2.77Å; R1507-E1586 IonicContact NE-OE2 3.31Å; R1507-E1586 PolarHBondContact NE-OE2 2.86Å; R1507-E1586 IonicContact NH2-OE1 3.89Å; R1507-E1586 PolarHBondContact NH2-OE1 3.35Å; R1514-E1586 IonicContact CZ-OE2 3Å; R1514-E1586 IonicContact NE-OE2 2.68Å; R1514-E1586 PolarHBondContact NH2-O 2.92Å; R1514-E1586 IonicContact NH2-OE2 3.61Å; R1514-E1586 PolarHBondContact NH2-OE2 2.65Å; L1518-E1586 HydrophobicContact CD1-CB 4.24Å; L1518-E1586 HydrophobicContact CD2-CB 3.8Å; L1518-E1586 HydrophobicContact CD2-CG 4.46Å; L1581-E1586 HydrophobicContact CD1-CG 3.84Å; L1581-E1586 HydrophobicContact CG-CG 4.38Å; D1582-E1586 WeakPolarHBondContact O-CG 3.48Å; D1582-E1586 PolarHBondContact O-N 3.08Å; D1582-E1586 VanDerWaalsContact O-N 3.11Å; E1586-Y1589 PolarHBondContact O-N 3.01Å; E1586-L1590 WeakPolarHBondContact O-CB 3.22Å; E1586-L1590 PolarHBondContact O-N 2.93Å
1587L85.9Confident88.4Confident7 Ų756.8 Ų56.84%0.03727%0.272CS..Hα-helixtrans-70.3-34.4176.4-174.858.8000112.3L1372 C1376 L1377 I1583 V1585 L1590 K1591L1372-L1587 HydrophobicContact CD1-CD2 3.67Å; C1376-L1587 HydrophobicContact CB-CD2 3.53Å; C1376-L1587 HydrophobicContact CB-CG 4.19Å; L1377-L1587 HydrophobicContact CD1-CD2 4.47Å; L1377-L1587 HydrophobicContact CD2-CD1 3.75Å; L1377-L1587 HydrophobicContact CD2-CD2 4.34Å; L1377-L1587 HydrophobicContact CG-CD1 4.03Å; L1377-L1587 HydrophobicContact CG-CD2 3.79Å; I1583-L1587 WeakPolarHBondContact O-CB 3.49Å; I1583-L1587 PolarHBondContact O-N 2.62Å; V1585-L1587 VanDerWaalsContact C-N 3.33Å; V1585-L1587 PolarHBondContact O-N 2.9Å; L1587-L1590 HydrophobicContact CD1-CD2 4.25Å; L1587-L1590 PolarHBondContact O-N 2.74Å; L1587-K1591 PolarHBondContact O-N 2.89Å
1588K87.8Confident86.6Confident133 Ų13361.3 Ų61.358%0.57830%0.296SS*.Hα-helixtrans-60.5-51.6171.6177.3171.8170.4173.30111.2E1584 V1585 L1590 K1591 E1592E1584-K1588 PolarHBondContact O-N 3.16Å; V1585-K1588 PolarHBondContact O-N 3.47Å; K1588-L1590 PolarHBondContact O-N 3.38Å; K1588-K1591 WeakPolarHBondContact O-CB 3.22Å; K1588-K1591 PolarHBondContact O-N 3.36Å; K1588-K1591 VanDerWaalsContact O-N 3.09Å; K1588-E1592 WeakPolarHBondContact CE-OE1 3.4Å; K1588-E1592 IonicContact NZ-OE1 3.69Å; K1588-E1592 WeakPolarHBondContact O-CG 3.49Å; K1588-E1592 PolarHBondContact O-N 3.05Å
1589Y89.2Confident84.7Confident102 Ų10264.6 Ų64.640%0.432%0.316SS..Hα-helixtrans-58.9-36.2176-72.8-67.4000112.6R1507 V1585 E1586 E1593R1507-Y1589 VanDerWaalsContact CZ-CD2 3.45Å; R1507-Y1589 VanDerWaalsContact NH2-CD2 3.29Å; V1585-Y1589 HydrophobicContact CG1-CD2 4.02Å; V1585-Y1589 HydrophobicContact CG1-CE2 3.58Å; V1585-Y1589 WeakPolarHBondContact O-CD2 3.38Å; V1585-Y1589 PolarHBondContact O-N 3.41Å; E1586-Y1589 PolarHBondContact O-N 3.01Å; Y1589-E1593 VanDerWaalsContact O-CB 3.3Å; Y1589-E1593 WeakPolarHBondContact O-CB 3.31Å; Y1589-E1593 PolarHBondContact O-N 2.79Å; Y1589-E1593 VanDerWaalsContact O-N 3.08Å
1590L88.9Confident82.5Confident0 Ų066.1 Ų66.10%033%0.33CS..Hα-helixtrans-67.4-34.5176.6178.561.7000112.8P1511 R1515 L1518 E1586 L1587 K1588 E1594P1511-L1590 HydrophobicContact CB-CD1 3.9Å; R1515-L1590 HydrophobicContact CB-CD2 3.98Å; L1518-L1590 HydrophobicContact CD1-CD2 4.18Å; E1586-L1590 WeakPolarHBondContact O-CB 3.22Å; E1586-L1590 PolarHBondContact O-N 2.93Å; L1587-L1590 HydrophobicContact CD1-CD2 4.25Å; L1587-L1590 PolarHBondContact O-N 2.74Å; K1588-L1590 PolarHBondContact O-N 3.38Å; L1590-E1594 WeakPolarHBondContact O-CG 3.4Å; L1590-E1594 PolarHBondContact O-N 3.42Å
1591K85.5Confident80.1Confident73 Ų7369 Ų6932%0.31735%0.347SS..Hα-helixtrans-67.3-50.4172.5-77-169.6176.5-168.30111.8C1376 L1587 K1588 E1593 E1594 E1595C1376-K1591 WeakPolarHBondContact SG-CE 3.42Å; C1376-K1591 PolarHBondContact SG-NZ 3.28Å; L1587-K1591 PolarHBondContact O-N 2.89Å; K1588-K1591 WeakPolarHBondContact O-CB 3.22Å; K1588-K1591 PolarHBondContact O-N 3.36Å; K1588-K1591 VanDerWaalsContact O-N 3.09Å; K1591-E1593 PolarHBondContact O-N 2.91Å; K1591-E1594 WeakPolarHBondContact O-CA 3.16Å; K1591-E1594 PolarHBondContact O-N 3.31Å; K1591-E1595 WeakPolarHBondContact O-CG 3.41Å; K1591-E1595 PolarHBondContact O-N 3.48Å
1592E87.1Confident77.5Confident82 Ų8276.1 Ų76.138%0.38338%0.38SS..Hα-helixtrans-55.8-38.5179.2-67.5167.4165.300111.1K1588 A1596K1588-E1592 WeakPolarHBondContact CE-OE1 3.4Å; K1588-E1592 IonicContact NZ-OE1 3.69Å; K1588-E1592 WeakPolarHBondContact O-CG 3.49Å; K1588-E1592 PolarHBondContact O-N 3.05Å; E1592-A1596 VanDerWaalsContact O-CB 3.28Å; E1592-A1596 WeakPolarHBondContact O-CB 3.43Å; E1592-A1596 PolarHBondContact O-N 3Å
1593E85.7Confident75Confident69 Ų6978.7 Ų78.732%0.32239%0.394SS..Hα-helixtrans-72.5-24.9175.5-168-166129.100114.1R1514 Y1589 K1591 R1597R1514-E1593 IonicContact CZ-OE2 3.61Å; R1514-E1593 IonicContact NH1-OE2 2.64Å; R1514-E1593 PolarHBondContact NH1-OE2 3.43Å; Y1589-E1593 VanDerWaalsContact O-CB 3.3Å; Y1589-E1593 WeakPolarHBondContact O-CB 3.31Å; Y1589-E1593 PolarHBondContact O-N 2.79Å; Y1589-E1593 VanDerWaalsContact O-N 3.08Å; K1591-E1593 PolarHBondContact O-N 2.91Å; E1593-R1597 PolarHBondContact O-NE 3.45Å; E1593-R1597 PolarHBondContact O-NH2 3.48Å; E1593-R1597 IonicContact OE1-NH2 2.7Å
1594E83.2Confident72.5Confident26 Ų2681.4 Ų81.412%0.12142%0.424CS..Hα-helixtrans-80.4-46.6171.6-77.4-177.4165.800111.4R1253 R1515 L1590 K1591 A1596 R1597 N1598R1253-E1594 IonicContact NH1-OE2 3.79Å; R1253-E1594 PolarHBondContact NH1-OE2 3.33Å; R1515-E1594 IonicContact CZ-OE1 3.69Å; R1515-E1594 IonicContact CZ-OE2 3.82Å; R1515-E1594 IonicContact NH1-OE1 3.01Å; R1515-E1594 PolarHBondContact NH1-OE1 3.23Å; R1515-E1594 IonicContact NH1-OE2 3.45Å; R1515-E1594 VanDerWaalsContact NH2-CD 3.33Å; R1515-E1594 IonicContact NH2-OE1 3.26Å; R1515-E1594 PolarHBondContact NH2-OE1 2.95Å; R1515-E1594 IonicContact NH2-OE2 2.68Å; R1515-E1594 PolarHBondContact NH2-OE2 3.38Å; L1590-E1594 WeakPolarHBondContact O-CG 3.4Å; L1590-E1594 PolarHBondContact O-N 3.42Å; K1591-E1594 WeakPolarHBondContact O-CA 3.16Å; K1591-E1594 PolarHBondContact O-N 3.31Å; E1594-A1596 PolarHBondContact O-N 2.99Å; E1594-R1597 VanDerWaalsContact CG-NH2 3.32Å; E1594-R1597 PolarHBondContact O-N 3.11Å; E1594-R1597 VanDerWaalsContact O-N 3.13Å; E1594-N1598 PolarHBondContact O-N 2.83Å; E1594-N1598 VanDerWaalsContact O-N 3.13Å; E1594-N1598 PolarHBondContact O-OD1 3.23Å
1595E81Confident69.9Low110 Ų11086 Ų8651%0.51445%0.445SS..Hα-helixtrans-60.8-45.1-179.9-71160.5-161.200111.1K1591 R1597 N1598 V1599K1591-E1595 WeakPolarHBondContact O-CG 3.41Å; K1591-E1595 PolarHBondContact O-N 3.48Å; E1595-R1597 VanDerWaalsContact C-N 3.25Å; E1595-R1597 PolarHBondContact O-N 2.57Å; E1595-N1598 PolarHBondContact O-N 2.85Å; E1595-V1599 WeakPolarHBondContact O-CG2 3.32Å; E1595-V1599 PolarHBondContact O-N 2.79Å; E1595-V1599 VanDerWaalsContact O-N 3.16Å
1596A80.1Confident67Low60 Ų6091.4 Ų91.450%0.49647%0.472SS..Hα-helixtrans-62.9-26.7176.100000114.2E1592 E1594 S1600E1592-A1596 VanDerWaalsContact O-CB 3.28Å; E1592-A1596 WeakPolarHBondContact O-CB 3.43Å; E1592-A1596 PolarHBondContact O-N 3Å; E1594-A1596 PolarHBondContact O-N 2.99Å; A1596-S1600 PolarHBondContact O-N 2.83Å; A1596-S1600 PolarHBondContact O-OG 3.08Å
1597R69.9Low64.1Low107 Ų10795.1 Ų95.140%0.40451%0.512SS..Hα-helixtrans-79.5-35.1175.4-86.3178.8-71.7119.31.5112.5P1511 E1593 E1594 E1595 S1600P1511-R1597 VanDerWaalsContact CG-NH2 3.26Å; E1593-R1597 PolarHBondContact O-NE 3.45Å; E1593-R1597 PolarHBondContact O-NH2 3.48Å; E1593-R1597 IonicContact OE1-NH2 2.7Å; E1594-R1597 VanDerWaalsContact CG-NH2 3.32Å; E1594-R1597 PolarHBondContact O-N 3.11Å; E1594-R1597 VanDerWaalsContact O-N 3.13Å; E1595-R1597 VanDerWaalsContact C-N 3.25Å; E1595-R1597 PolarHBondContact O-N 2.57Å; R1597-S1600 WeakPolarHBondContact O-CB 3.28Å; R1597-S1600 PolarHBondContact O-N 2.86Å
1598N60.1Low61.3Low95 Ų95103.8 Ų103.851%0.50855%0.552SS.*Hα-helixtrans-67.1-45.3176.7-62.4-8.7000111.4E1594 E1595 S1600 E1601 E1602E1594-N1598 PolarHBondContact O-N 2.83Å; E1594-N1598 VanDerWaalsContact O-N 3.13Å; E1594-N1598 PolarHBondContact O-OD1 3.23Å; E1595-N1598 PolarHBondContact O-N 2.85Å; N1598-S1600 PolarHBondContact O-N 2.91Å; N1598-E1601 PolarHBondContact O-N 3.44Å; N1598-E1602 PolarHBondContact O-N 2.58Å
1599V56.6Low58.7Low74 Ų74105 Ų10545%0.44856%0.564SS.*Hα-helixtrans-58.5-35.8175.8176.60000111.4E1595 E1601 E1602 D1603E1595-V1599 WeakPolarHBondContact O-CG2 3.32Å; E1595-V1599 PolarHBondContact O-N 2.79Å; E1595-V1599 VanDerWaalsContact O-N 3.16Å; V1599-E1601 PolarHBondContact O-N 2.67Å; V1599-E1601 VanDerWaalsContact O-N 3.15Å; V1599-E1602 PolarHBondContact O-N 3.02Å; V1599-D1603 PolarHBondContact O-N 2.83Å
1600S49.7Very low56Low95 Ų95109.3 Ų109.366%0.66459%0.585SS**Hα-helixtrans-66.1-11.2176-59.30000114.8A1596 R1597 N1598A1596-S1600 PolarHBondContact O-N 2.83Å; A1596-S1600 PolarHBondContact O-OG 3.08Å; R1597-S1600 WeakPolarHBondContact O-CB 3.28Å; R1597-S1600 PolarHBondContact O-N 2.86Å; N1598-S1600 PolarHBondContact O-N 2.91Å
1601E45.3Very low53Low167 Ų167119 Ų11978%0.7863%0.628SS**Hα-helixtrans-104-24.1173.7-65.7-172.4168.600112.7N1598 V1599N1598-E1601 PolarHBondContact O-N 3.44Å; V1599-E1601 PolarHBondContact O-N 2.67Å; V1599-E1601 VanDerWaalsContact O-N 3.15Å
1602E41.3Very low50.4Low154 Ų154122.4 Ų122.472%0.7265%0.654SS**Hα-helixtrans-83.9-33.4179.7-68.7-175.4157.200113.4N1598 V1599 G1604N1598-E1602 PolarHBondContact O-N 2.58Å; V1599-E1602 PolarHBondContact O-N 3.02Å; E1602-G1604 PolarHBondContact O-N 2.93Å
1603D39.5Very low47.5Very low142 Ų142124.5 Ų124.576%0.75967%0.672SS**THydrogen-bonded Turntrans-66.710.1176.2-74.8-29.5000114.3V1599V1599-D1603 PolarHBondContact O-N 2.83Å
1604G37.5Very low44.7Very low65 Ų65126.6 Ų126.667%0.6770%0.695SS**THydrogen-bonded Turntrans-96.5-19.6-176.900000115.9E1602E1602-G1604 PolarHBondContact O-N 2.93Å
1605E33.4Very low42Very low176 Ų176132.3 Ų132.382%0.82273%0.726SS**SBendtrans-133.4148.1178.7-62.5-171.114800109.6
1606D29Very low39.6Very low176 Ų176133.9 Ų133.994%0.94174%0.743SS**SBendtrans62.376.9-178.4-65.2-18.5000118.4
1607G30.5Very low37Very low84 Ų84138.4 Ų138.487%0.86676%0.759SS**  trans-147-11.5178.400000120.5
1608E25.8Very low35.3Very low189 Ų189139.8 Ų139.888%0.88378%0.779SS**  trans-115.687.7-170.6-168.1176.6-14000114.6
1609L32.8Very low33.7Very low159 Ų159142.5 Ų142.583%0.83279%0.794SS**  trans-179.491.8141-104.7161.5000114.6
1610K33Very low32.4Very low193 Ų193142.9 Ų142.984%0.83981%0.813SS**  172.9113.5122-95.7164.5-176.8174.60112.7
1611K27.1Very low31.4Very low204 Ų204144.4 Ų144.489%0.88782%0.818SS**  trans-85.5126.7156.5-76.8180175.8174.80109.7
1612T29Very low30.7Very low143 Ų143143.4 Ų143.488%0.87782%0.818SS**  trans-139.7132.1151.840.30000108.2
1613V26.3Very low30.1Very low126 Ų126142.3 Ų142.376%0.76482%0.822SS**  trans-102.7137.5-171.6174.10000110.3
1614S28.7Very low29.5Very low113 Ų113139.2 Ų139.279%0.7982%0.824SS**  trans-164.7106.1155.1570000111.2
1615D25.1Very low29.2Very low147 Ų147143.1 Ų143.179%0.78684%0.835SS**  trans-75.4145.2167-57.1-79.5000111.2
1616T31.6Very low28.8Very low142 Ų142143.9 Ų143.987%0.87184%0.835SS**  trans-166.1139.7145.82.70000110.9
1617N25.4Very low28.6Very low155 Ų155144.1 Ų144.183%0.82984%0.835SS**  trans-82.9160174.6-60.8-51.4000111.3
1618V32.7Very low28.2Very low136 Ų136147.4 Ų147.482%0.82483%0.83SS**  176.3149.81151530000110.7
1619D26.8Very low28.2Very low152 Ų152144.8 Ų144.881%0.81382%0.818SS**  trans-51.6156.3-166.7-52.7-76000119.7
1620G30.8Very low27.8Very low82 Ų82147.8 Ų147.885%0.84582%0.824SS**  trans-168.9102.516500000111.1
1621T27.7Very low27.4Very low128 Ų128143.7 Ų143.779%0.78581%0.811SS**  trans-93.7142.9-170.351.70000113.7
1622D29.8Very low27.3Very low146 Ų146139.8 Ų139.878%0.78180%0.799SS**  -158.4157.3113.9-128.2-21.7000116.7
1623T30.7Very low27.3Very low131 Ų131140.8 Ų140.880%0.80480%0.799SS**  trans-4.8130.1176.157.50000121.8
1624G26.7Very low27.2Very low77 Ų77140.6 Ų140.679%0.79479%0.794SS**  trans-159.40.217000000119.5
1625V30Very low27.3Very low147 Ų147141.8 Ų141.889%0.89179%0.792SS**  trans58.4112.1174.6-173.20000117.8
1626K25.2Very low27.5Very low192 Ų192141 Ų14184%0.83579%0.787SS**  trans-85.5161.1162.1-62.2174.1178.6174.40110.8
1627L24.9Very low27.2Very low180 Ų180140.7 Ų140.794%0.94278%0.781SS**  -141.9139124.1-154.571.5000111
1628M23.2Very low27.4Very low153 Ų153141.6 Ų141.675%0.75479%0.785SS**  trans-158.2162.5-178.4-149.2-79.8-163.700107.1
1629Q25Very low27Very low135 Ų135142.2 Ų142.263%0.63178%0.782SS**  trans73.6117.2176.7-50177-34.300116.8I1631Q1629-I1631 HydrophobicContact CB-CD1 4.23Å; Q1629-I1631 HydrophobicContact CB-CG1 4.29Å; Q1629-I1631 HydrophobicContact CG-CD1 3.72Å; Q1629-I1631 HydrophobicContact CG-CG1 4.23Å; Q1629-I1631 VanDerWaalsContact NE2-CD1 3.34Å
1630F24Very low27Very low221 Ų221141.8 Ų141.897%0.96979%0.785SS**  -117.6159103.2-99.7-89.3000108.2
1631I25.5Very low26.8Very low107 Ų107143.2 Ų143.255%0.54978%0.782SS.*  trans-140.6145-157.9-95.6179.6000112.4Q1629Q1629-I1631 HydrophobicContact CB-CD1 4.23Å; Q1629-I1631 HydrophobicContact CB-CG1 4.29Å; Q1629-I1631 HydrophobicContact CG-CD1 3.72Å; Q1629-I1631 HydrophobicContact CG-CG1 4.23Å; Q1629-I1631 VanDerWaalsContact NE2-CD1 3.34Å
1632N24.5Very low26.6Very low122 Ų122141.3 Ų141.365%0.65277%0.773SS**  trans47138.9160-656.8000121.9
1633N28.8Very low26.4Very low164 Ų164142.4 Ų142.488%0.87778%0.779SS**  -146.6161108.4-99.8-30.4000110.6
1634N24.8Very low26.2Very low122 Ų122143.9 Ų143.965%0.65278%0.776SS**  trans-84.4178.7-172.3-57.8-20.8000110.9
1635D30Very low26.2Very low138 Ų138146.9 Ų146.974%0.73877%0.774SS**  cis-161.5168.148.5-90.2-48.8000115.6
1636N29.9Very low26.2Very low131 Ų131149.7 Ų149.770%0.70177%0.774SS**  trans78.386.9156.1-66.9-44000121.3
1637N26Very low26.2Very low136 Ų136147.4 Ų147.473%0.72777%0.765SS**  44.4107.3120.3-63.3-24.6000120.4
1638N29.3Very low26.4Very low173 Ų173144.6 Ų144.693%0.92576%0.76SS**  -155.6146110.9-118.4-32.2000112
1639I22.9Very low26.6Very low149 Ų149144.6 Ų144.676%0.76476%0.762SS**  trans-112.5126.7-169.7-61.8169.5000110.9
1640V27.1Very low27Very low143 Ų143141.2 Ų141.287%0.86775%0.754SS**  trans-136137.8152.9-179.20000108.3
1641S27.1Very low27.3Very low113 Ų113136.6 Ų136.679%0.7975%0.748SS**  trans-63.1142.1-170.5-167.10000113.9
1642C23.6Very low27.6Very low87 Ų87134.9 Ų134.959%0.58874%0.74SS**  trans-69.3157.5161.6-49.40000110.7
1643N26.2Very low27.8Very low169 Ų169132.8 Ų132.890%0.90475%0.748SS**  trans-115.3125.3137.8-100-7.2000105.7
1644H25.6Very low27.7Very low163 Ų163131.8 Ų131.876%0.75573%0.733SS**  trans-78.6130.3173.9-79.6-104.6000109.7
1645D26.1Very low28Very low139 Ų139130.2 Ų130.274%0.74373%0.727SS**  -179.4156.4117.6-87.8-20.6000111.1
1646K30Very low28.1Very low207 Ų207132.2 Ų132.290%0.973%0.726SS**SBendtrans62.846.8175.8-55.3-169.2178.8-171.10117.4
1647F26.7Very low28.2Very low144 Ų144130.1 Ų130.163%0.63271%0.714SS**  trans-127.3102.2159.2-72.3-68.1000112.4L1649 V1655 L1657F1647-L1649 PolarHBondContact O-N 2.84Å; F1647-V1655 HydrophobicContact CD1-CG1 3.73Å; F1647-V1655 HydrophobicContact CE1-CG1 3.78Å; F1647-L1657 HydrophobicContact CE1-CD2 4.29Å
1648S29Very low28.6Very low121 Ų121129.7 Ų129.785%0.84672%0.722SS**  trans-84.4103.2167.9560000110.2S1650S1648-S1650 PolarHBondContact O-N 2.88Å
1649L26.8Very low28.7Very low153 Ų153125.2 Ų125.280%0.80170%0.704SS**  trans-68.2129.3170-87.980.1000110.1F1647F1647-L1649 PolarHBondContact O-N 2.84Å
1650S32.5Very low29.4Very low64 Ų64123.2 Ų123.245%0.44870%0.701SS.*  trans-97.1155157.469.90000109.6S1648 N1652S1648-S1650 PolarHBondContact O-N 2.88Å; S1650-N1652 PolarHBondContact O-N 2.84Å
1651S30.5Very low29.9Very low123 Ų123119.4 Ų119.486%0.8668%0.678SS**THydrogen-bonded Turntrans-63.98.5-16854.20000117
1652N31.7Very low30.4Very low71 Ų71122.9 Ų122.938%0.3867%0.674SS.*THydrogen-bonded Turntrans-124.417.5-168.8-72.875.6000113.7S1650 Y1654S1650-N1652 PolarHBondContact O-N 2.84Å; N1652-Y1654 VanDerWaalsContact C-N 3.27Å; N1652-Y1654 VanDerWaalsContact O-CD2 3.24Å; N1652-Y1654 WeakPolarHBondContact O-CD2 3.3Å; N1652-Y1654 PolarHBondContact O-N 2.83Å; N1652-Y1654 VanDerWaalsContact O-N 3.15Å
1653G29.2Very low31.2Very low78 Ų78121.5 Ų121.580%0.80466%0.662SS**SBendtrans75.30166.800000117.1
1654Y27Very low31.9Very low143 Ų143120.3 Ų120.356%0.56165%0.645SS**PPolyproline II helixtrans-102.6128.3175.9-69.7-82.2000111.6N1652N1652-Y1654 VanDerWaalsContact C-N 3.27Å; N1652-Y1654 VanDerWaalsContact O-CD2 3.24Å; N1652-Y1654 WeakPolarHBondContact O-CD2 3.3Å; N1652-Y1654 PolarHBondContact O-N 2.83Å; N1652-Y1654 VanDerWaalsContact O-N 3.15Å
1655V30.7Very low32.6Very low89 Ų89117.3 Ų117.354%0.53963%0.634SS.*PPolyproline II helixtrans-92.9124.8171.4177.50000108.9F1647 L1657F1647-V1655 HydrophobicContact CD1-CG1 3.73Å; F1647-V1655 HydrophobicContact CE1-CG1 3.78Å; V1655-L1657 HydrophobicContact CG1-CD2 4.41Å
1656Y32Very low33.7Very low180 Ų180112.4 Ų112.471%0.70662%0.617SS**PPolyproline II helixtrans-98.4132.5172.6-72.2-95.1000109.6
1657L33.1Very low34.2Very low88 Ų88106.3 Ų106.346%0.46160%0.598SS.*PPolyproline II helixtrans-101.6125.5177.7-63171.3000109.4F1647 V1655 S1659 V1661F1647-L1657 HydrophobicContact CE1-CD2 4.29Å; V1655-L1657 HydrophobicContact CG1-CD2 4.41Å; L1657-S1659 PolarHBondContact O-N 2.88Å; L1657-V1661 HydrophobicContact CD1-CB 3.99Å; L1657-V1661 HydrophobicContact CD1-CG2 3.82Å; L1657-V1661 HydrophobicContact CD2-CG2 4.12Å; L1657-V1661 HydrophobicContact CG-CG2 4.42Å
1658S33.2Very low34.6Very low127 Ų127103.9 Ų103.989%0.88859%0.592SS**SBendtrans-82.84.617952.90000113.9
1659S30.8Very low35Very low79 Ų79103 Ų10355%0.55258%0.578SS**SBendtrans-159.3151.3175.3-77.50000109.5L1657 V1661L1657-S1659 PolarHBondContact O-N 2.88Å; S1659-V1661 PolarHBondContact O-N 2.8Å
1660P38.4Very low35.5Very low106 Ų10698.5 Ų98.569%0.68857%0.568SS**  trans-67.7129-176.526.9-34.4000111.5I1674P1660-I1674 CarbonylContact C-O 3.28Å; P1660-I1674 WeakPolarHBondContact CA-O 3.43Å; P1660-I1674 WeakPolarHBondContact CB-O 3.35Å
1661V37.7Very low36.3Very low64 Ų64101 Ų10139%0.38857%0.571SS.*  trans-109.3124.5-176.7177.10000109.9L1657 S1659 V1663 I1674L1657-V1661 HydrophobicContact CD1-CB 3.99Å; L1657-V1661 HydrophobicContact CD1-CG2 3.82Å; L1657-V1661 HydrophobicContact CD2-CG2 4.12Å; L1657-V1661 HydrophobicContact CG-CG2 4.42Å; S1659-V1661 PolarHBondContact O-N 2.8Å; V1661-V1663 HydrophobicContact CG1-CG2 4.24Å; V1661-V1663 PolarHBondContact O-N 2.85Å; V1661-V1663 VanDerWaalsContact O-N 3.15Å; V1661-I1674 PolarHBondContact N-O 3.03Å; V1661-I1674 PolarHBondContact O-N 3.44Å
1662R38.6Very low36.7Very low186 Ų18699.3 Ų99.370%0.70255%0.551SS**EExtended strand (participates in β ladder)trans-77.897.4173.6-77.6-174.5176.4-177-0.6110.5F1671R1662-F1671 HydrophobicContact CB-CB 4.11Å; R1662-F1671 HydrophobicContact CB-CD1 3.84Å; R1662-F1671 HydrophobicContact CB-CG 4.26Å; R1662-F1671 HydrophobicContact CG-CB 4.39Å
1663V38.7Very low37Very low58 Ų58100.4 Ų100.435%0.35256%0.563SS.*EExtended strand (participates in β ladder)trans-82.9133.2174.5-177.50000109.8V1661 L1665 F1671 I1672 I1674V1661-V1663 HydrophobicContact CG1-CG2 4.24Å; V1661-V1663 PolarHBondContact O-N 2.85Å; V1661-V1663 VanDerWaalsContact O-N 3.15Å; V1663-L1665 HydrophobicContact CG1-CD2 4.3Å; V1663-F1671 WeakPolarHBondContact O-CA 3.39Å; V1663-I1672 PolarHBondContact N-O 3.22Å; V1663-I1672 VanDerWaalsContact N-O 3.15Å; V1663-I1672 PolarHBondContact O-N 3.16Å; V1663-I1674 HydrophobicContact CB-CD1 4.17Å; V1663-I1674 HydrophobicContact CG2-CD1 3.84Å; V1663-I1674 HydrophobicContact CG2-CG1 4.5Å
1664R41.3Very low37.5Very low143 Ų143103.4 Ų103.454%0.5456%0.559SS.*EExtended strand (participates in β ladder)trans-102.7114.1178.1-166.7-170.5178.8154.50.4109.2G1666 P1667 F1671R1664-G1666 WeakPolarHBondContact CG-O 3.45Å; R1664-G1666 PolarHBondContact O-N 3.3Å; R1664-P1667 PolarHBondContact NE-O 2.71Å; R1664-P1667 PolarHBondContact NH2-O 3.09Å; R1664-F1671 HydrophobicContact CB-CD1 3.81Å; R1664-F1671 HydrophobicContact CB-CE1 3.76Å; R1664-F1671 HydrophobicContact CG-CD1 4.29Å; R1664-F1671 HydrophobicContact CG-CE1 4.16Å; R1664-F1671 HydrophobicContact CG-CZ 4.46Å
1665L40.2Very low38Very low100 Ų100101.5 Ų101.552%0.52456%0.559SS.*  trans-81.161.7-173.9-66.4-178.8000112.8V1663 N1669 I1672V1663-L1665 HydrophobicContact CG1-CD2 4.3Å; L1665-N1669 HydrophobicContact CB-CB 4.17Å; L1665-N1669 WeakPolarHBondContact O-CB 3.36Å; L1665-N1669 PolarHBondContact O-ND2 3.16Å; L1665-I1672 HydrophobicContact CD1-CD1 3.63Å; L1665-I1672 HydrophobicContact CD1-CG1 4.44Å
1666G48.7Very low38.4Very low37 Ų37102.1 Ų102.138%0.38156%0.56SS.*SBendtrans91.1177.6-174.500000113.3R1664 D1668R1664-G1666 WeakPolarHBondContact CG-O 3.45Å; R1664-G1666 PolarHBondContact O-N 3.3Å; G1666-D1668 VanDerWaalsContact C-N 3.34Å; G1666-D1668 PolarHBondContact O-N 3.12Å
1667P41.6Very low38.7Very low78 Ų7897.8 Ų97.851%0.50655%0.551SS.*SBendtrans-65.1-31.4-168.923.6-33.6000114.2R1664R1664-P1667 PolarHBondContact NE-O 2.71Å; R1664-P1667 PolarHBondContact NH2-O 3.09Å
1668D34Very low39.1Very low93 Ų9398.4 Ų98.450%0.49756%0.557SS.*SBendtrans-109.8-9.5-169.2-56.7-22.9000114.4K545 G1666K545-D1668 VanDerWaalsContact CE-OD2 3.31Å; K545-D1668 WeakPolarHBondContact CE-OD2 3.19Å; K545-D1668 WeakPolarHBondContact CG-OD2 3.4Å; K545-D1668 IonicContact NZ-OD1 3.57Å; K545-D1668 PolarHBondContact NZ-OD1 3.22Å; K545-D1668 IonicContact NZ-OD2 2.73Å; K545-D1668 PolarHBondContact NZ-OD2 3.37Å; G1666-D1668 VanDerWaalsContact C-N 3.34Å; G1666-D1668 PolarHBondContact O-N 3.12Å
1669N38.3Very low39.4Very low103 Ų10396.6 Ų96.655%0.55154%0.536SS*.SBendtrans-89.8140.6176.1-62.7-45.7000110.5L1665L1665-N1669 HydrophobicContact CB-CB 4.17Å; L1665-N1669 WeakPolarHBondContact O-CB 3.36Å; L1665-N1669 PolarHBondContact O-ND2 3.16Å
1670G37Very low40Very low58 Ų5897.7 Ų97.760%0.59854%0.535SS*.PPolyproline II helixtrans-62.5163179.900000113.8I1672G1670-I1672 PolarHBondContact O-N 2.99Å
1671F48.8Very low40.1Very low118 Ų11897.1 Ų97.152%0.51852%0.524SS..EExtended strand (participates in β ladder)trans-68.1126.7173.9-65.4-84.4000111R1662 V1663 R1664R1662-F1671 HydrophobicContact CB-CB 4.11Å; R1662-F1671 HydrophobicContact CB-CD1 3.84Å; R1662-F1671 HydrophobicContact CB-CG 4.26Å; R1662-F1671 HydrophobicContact CG-CB 4.39Å; V1663-F1671 WeakPolarHBondContact O-CA 3.39Å; R1664-F1671 HydrophobicContact CB-CD1 3.81Å; R1664-F1671 HydrophobicContact CB-CE1 3.76Å; R1664-F1671 HydrophobicContact CG-CD1 4.29Å; R1664-F1671 HydrophobicContact CG-CE1 4.16Å; R1664-F1671 HydrophobicContact CG-CZ 4.46Å
1672I40.1Very low40.3Very low86 Ų8699.7 Ų99.744%0.44154%0.535SS..EExtended strand (participates in β ladder)trans-95.6130.8166.7-59.3-173.4000107.8V1663 L1665 G1670V1663-I1672 PolarHBondContact N-O 3.22Å; V1663-I1672 VanDerWaalsContact N-O 3.15Å; V1663-I1672 PolarHBondContact O-N 3.16Å; L1665-I1672 HydrophobicContact CD1-CD1 3.63Å; L1665-I1672 HydrophobicContact CD1-CG1 4.44Å; G1670-I1672 PolarHBondContact O-N 2.99Å
1673P38.3Very low40.4Very low95 Ų9592.5 Ų92.562%0.61752%0.521SS*.EExtended strand (participates in β ladder)trans-73.5131.1168.731-32.2000110
1674I38.1Very low40.6Very low141 Ų14195.6 Ų95.672%0.72354%0.536SS*.  trans-122.10169.3-53.9-176.9000107.1P1660 V1661 V1663P1660-I1674 CarbonylContact C-O 3.28Å; P1660-I1674 WeakPolarHBondContact CA-O 3.43Å; P1660-I1674 WeakPolarHBondContact CB-O 3.35Å; V1661-I1674 PolarHBondContact N-O 3.03Å; V1661-I1674 PolarHBondContact O-N 3.44Å; V1663-I1674 HydrophobicContact CB-CD1 4.17Å; V1663-I1674 HydrophobicContact CG2-CD1 3.84Å; V1663-I1674 HydrophobicContact CG2-CG1 4.5Å

Retrieved 1,674 of 1,674 residues in 458.1 ms (Link to these results)