A0A3Q0KM65_SCHMA Loading...

Mediator of RNA polymerase II transcription subunit 23

AlphaFold DB , UniProt , Accession A0A3Q0KM65, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,976 aa.

>A0A3Q0KM65_SCHMA|A0A3Q0KM65
MMHDPVVAIDRFINELTVSVMLEESLGGMISDEGMSLTNMDVIRSQKLWSEILNQKSRFRALDFLMSRLASIKHERIVMRILWSIDFAIEKTMFAPREIAHSLVCSEHLRVESPILFRCIFKLLLKLIFFLDYKSNREVFNKSIEKSSQFTEKMFCDRNLFYTIDPSLELIQLLLCREICLMPAYFAMHELIRNFSSEFGDAPQFIQTEFNKFMDSFKRPARLLYSRVYHAMTPFCGITSLSAPNYRLDSSNLVLTSIKGAMRYPDFLTSSQLPLLCTVLGQLRSFELTTGMLDPASGKVKTRSVGLELALVELIVQVMELLECTNDEPWNRTIFEHLISVMITFMLNSTVRFNEIVVKLNSKLEGRTWTKSSHYVMWFVLNATSGFIGKNMLTDFVPCLRLFDILFPEAEDPDRAIDLPIPCCSRKDSTGQSNDSEISLTQKDGVLPKNILGKELSSTTENTKLSVSQFPISKKMDIDSSDLNRELVTYRDNENEVQEQSSTSAEDSDNECIQNETESLLPPHFRSSTACWKRQGRLLHLATAPVCLWQHVLRKSRLGQDHLPRVMPPALRPIESRISRRMQALVQSVSSTQISNSSVHLVSKLTWNQLFVVLNAFSTDNEVSQLIQRLIDIFWTNETAKDNQKLEHGVLWSRLIKNGKVDFPYDLSAYGRLQPLSHHLMRTMSVHVRMLVLHFFLQKFSVLPNSNMLSTPAIIETFCRILACREVESNNVNRILCLLTKLQPLWSYNTSNTEPKYAVLCGTTEPKVSNYFSCSLVFTLLDTLGFRLADILTPEVRIHTLTSLIGLVKLWSNWSTSVLDNKEPKNLCDGGTSEIPIELQYLLDWNIIKFARSIQAPDCVIYGFCSALTSSTLTQTQPGTNSLHSVNNSACVSQPQSSNIMSQQGSGLVNNTTSGSVSMIRPFIPVNTGVLTSISSSSIIQPPNDPILSSNTGVNSLTGGSGSTGFPNSIPGYPFLMCDNVEVNRFVLYSLLQMYHTFDLEEASGIRPNLVEQIRSMCEQCGPNSLIDLPQLITKRLPDFLILVIRQLTNPNTGELNIGSLPSSDPMNVESMESTLPYTDKSISLSKLCSMVQEEYTSFSNRNFEWSDAVSRSNMFLCLLFRYFMEYQNIPNKPISLLHHISVRFLNRQLRMLCDYIVSSLTFTAQVNFTTDKCLSTLSDFCIRWHVIPLDRFLLFLLMHTRYQHSQLLTVNRIIVYLFTQSDQITSGIMYLNKKYEANPNNSDSNTQRKSPHSDPLSSRDWFSCIRALHEIIPDQWITYPKTCTISCNTSNDSLEETDKPPHLPVSYGHLLLRLLPLLEVVIMQFLMCEVPFVLLIPFCRAIAPLFRYHRRPVNVCYTVLHDHAEFTMKGLLCKSNIGYPAYHLQLSDTKYLDTSPSSESDMDKTPWIVDRLLCQLLVHCIISKHQRLAMKAALNRSSKGFDQQHSSVNGIFTQQGWNNLLLCVKQSEVFYDVICRNLSNVSSDCNIVHDNTDQSVMNILLNPESFETQFRSMFMTWYSCNIFKYNWEYLFGLIDPICKTNQRHGIYGHSAAWRIWNYEESVCIQTAGLYAASIELMSSFMSPSELTSVVSDLLTNCAKHMYFNQLLNITGALAVILPSVYRFPLFKFCVTLFNDPILCDTTPESNPVDPESMFTCISDVKSTNDHNTNTKWRRSSRALRHRKLLDVNLTSVDNVTLASEATSFKDENSALLKPPKVALYFFEKYLPLDQKTDSDLVDILSNGGCSVIEMSHQNTEASKTLKENFNNLEFSSDVMEYLVKANLWHSIWAHANTSHLASLPGIFSDLILPELRTEAQLLMAFYLVAPLMGSLHSERPAKLVDLTAELYRAVWKVDTVLAKSNYEKSHHSEISIDISNSKQLGEHLPSETGVPLVHVDTIADLLYHIKYMYVGNGVLDQVRPLLPQLRPSLRKRLKFILPQDSSVSQQQQNQNGSHPIFENRVYRASIKPPMCNGDF
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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
1M40.6Very low67Low244 Ų24490 Ų90100%1.20245%0.452SS*.  051.90-66.9174.1161.300111
2M42.4Very low68.3Low147 Ų14783 Ų8372%0.72442%0.417SS*.  trans-141.136.6-171-68-171.5174.200113.7
3H55.5Low69.4Low166 Ų16677.3 Ų77.377%0.76939%0.388SS*.  trans-130.82.9-169-71.3-39.5000117Q55H3-Q55 PolarHBondContact O-NE2 3.1Å; H3-Q55 VanDerWaalsContact O-NE2 3.09Å
4D67.5Low70.4Confident86 Ų8678.9 Ų78.946%0.4640%0.399SS..  trans-85.5121.6175.1-165.5-27.9000109.6V6 V7 A8D4-V6 PolarHBondContact O-N 3.48Å; D4-V6 VanDerWaalsContact OD1-CB 3.27Å; D4-V6 WeakPolarHBondContact OD1-CB 3.45Å; D4-V6 WeakPolarHBondContact OD1-CG2 3.23Å; D4-V6 PolarHBondContact OD1-N 3.33Å; D4-V7 HydrophobicContact CB-CB 4.17Å; D4-V7 HydrophobicContact CB-CG2 3.92Å; D4-V7 PolarHBondContact O-N 2.93Å; D4-A8 PolarHBondContact O-N 2.81Å
5P67.3Low71.4Confident27 Ų2777.3 Ų77.318%0.17539%0.389CS..Hα-helixtrans-59.6-26176.626-35.7000112.2A8 I9P5-A8 PolarHBondContact O-N 3.2Å; P5-I9 WeakPolarHBondContact O-CB 3.19Å; P5-I9 WeakPolarHBondContact O-CD1 3.47Å; P5-I9 VanDerWaalsContact O-CG1 3.24Å; P5-I9 WeakPolarHBondContact O-CG1 3.37Å; P5-I9 PolarHBondContact O-N 2.86Å
6V72Confident72.1Confident46 Ų4672.5 Ų72.528%0.27937%0.365SS..Hα-helixtrans-59.5-50.3171.11720000110.5D4 A8 I9 D10 F64D4-V6 PolarHBondContact O-N 3.48Å; D4-V6 VanDerWaalsContact OD1-CB 3.27Å; D4-V6 WeakPolarHBondContact OD1-CB 3.45Å; D4-V6 WeakPolarHBondContact OD1-CG2 3.23Å; D4-V6 PolarHBondContact OD1-N 3.33Å; V6-A8 VanDerWaalsContact C-N 3.35Å; V6-A8 PolarHBondContact O-N 2.61Å; V6-I9 PolarHBondContact O-N 3.02Å; V6-D10 WeakPolarHBondContact O-CB 3.48Å; V6-D10 PolarHBondContact O-N 2.94Å; V6-F64 HydrophobicContact CB-CE1 3.88Å; V6-F64 HydrophobicContact CB-CZ 3.94Å; V6-F64 HydrophobicContact CG1-CE1 3.71Å; V6-F64 HydrophobicContact CG1-CE2 4.3Å; V6-F64 HydrophobicContact CG1-CZ 3.42Å; V6-F64 VanDerWaalsContact CG1-CZ 3.42Å; V6-F64 HydrophobicContact CG2-CD1 4.07Å; V6-F64 HydrophobicContact CG2-CD2 4.19Å; V6-F64 HydrophobicContact CG2-CE1 3.72Å; V6-F64 HydrophobicContact CG2-CE2 3.86Å; V6-F64 HydrophobicContact CG2-CG 4.3Å; V6-F64 HydrophobicContact CG2-CZ 3.62Å
7V72.6Confident72.7Confident83 Ų8370.7 Ų70.750%0.50336%0.359SS..Hα-helixtrans-68.5-34.5-179.91770000111.3D4 R11D4-V7 HydrophobicContact CB-CB 4.17Å; D4-V7 HydrophobicContact CB-CG2 3.92Å; D4-V7 PolarHBondContact O-N 2.93Å; V7-R11 WeakPolarHBondContact O-CB 3.41Å; V7-R11 PolarHBondContact O-N 3.47Å
8A75.7Confident73.3Confident18 Ų1871.4 Ų71.415%0.14937%0.367CS..Hα-helixtrans-66.6-44.8174.800000111.9D4 P5 V6 R11 F12 L48D4-A8 PolarHBondContact O-N 2.81Å; P5-A8 PolarHBondContact O-N 3.2Å; V6-A8 VanDerWaalsContact C-N 3.35Å; V6-A8 PolarHBondContact O-N 2.61Å; A8-R11 PolarHBondContact O-N 2.9Å; A8-F12 WeakPolarHBondContact O-CB 3.2Å; A8-F12 PolarHBondContact O-N 2.99Å; A8-L48 HydrophobicContact CB-CD1 3.84Å
9I79.2Confident73.8Confident1 Ų167.8 Ų67.81%0.00535%0.349CS..Hα-helixtrans-64.9-47.1175.8-71.5166.6000110.7P5 V6 R11 F12 I13 L48 I52 F64 L65P5-I9 WeakPolarHBondContact O-CB 3.19Å; P5-I9 WeakPolarHBondContact O-CD1 3.47Å; P5-I9 VanDerWaalsContact O-CG1 3.24Å; P5-I9 WeakPolarHBondContact O-CG1 3.37Å; P5-I9 PolarHBondContact O-N 2.86Å; V6-I9 PolarHBondContact O-N 3.02Å; I9-R11 PolarHBondContact O-N 3.48Å; I9-F12 PolarHBondContact O-N 2.88Å; I9-I13 HydrophobicContact CG2-CD1 3.63Å; I9-I13 HydrophobicContact CG2-CG1 4.39Å; I9-I13 WeakPolarHBondContact O-CD1 3.29Å; I9-I13 VanDerWaalsContact O-CG1 3.24Å; I9-I13 WeakPolarHBondContact O-CG1 3.4Å; I9-I13 PolarHBondContact O-N 3.22Å; I9-L48 HydrophobicContact CG1-CD1 4.19Å; I9-I52 HydrophobicContact CD1-CD1 4.07Å; I9-I52 HydrophobicContact CG1-CD1 3.94Å; I9-F64 HydrophobicContact CD1-CD1 3.99Å; I9-L65 HydrophobicContact CD1-CB 4.35Å; I9-L65 HydrophobicContact CD1-CD1 4.48Å; I9-L65 HydrophobicContact CG1-CD1 4.43Å; I9-L65 HydrophobicContact CG2-CD1 3.7Å
10D80.8Confident74.1Confident38 Ų3864.5 Ų64.520%0.20333%0.332CS..Hα-helixtrans-63.6-39.9177.4-82.6-23.8000112.4V6 I13 N14 R68V6-D10 WeakPolarHBondContact O-CB 3.48Å; V6-D10 PolarHBondContact O-N 2.94Å; D10-I13 PolarHBondContact O-N 2.77Å; D10-N14 WeakPolarHBondContact O-CB 3.27Å; D10-N14 PolarHBondContact O-N 3.01Å; D10-N14 PolarHBondContact O-ND2 3.14Å; D10-N14 VanDerWaalsContact O-ND2 3.13Å; D10-R68 IonicContact OD1-CZ 2.73Å; D10-R68 IonicContact OD1-NE 3.24Å; D10-R68 PolarHBondContact OD1-NE 3.34Å; D10-R68 IonicContact OD1-NH2 3.94Å; D10-R68 PolarHBondContact OD1-NH2 2.91Å; D10-R68 IonicContact OD2-NE 2.68Å; D10-R68 IonicContact OD2-NH2 3.58Å
11R82.9Confident74.3Confident134 Ų13465.8 Ų65.851%0.50634%0.337SS..Hα-helixtrans-61.1-46.6172.6179.8-179.5-176.8151.111111.2V7 A8 I9 N14 E15V7-R11 WeakPolarHBondContact O-CB 3.41Å; V7-R11 PolarHBondContact O-N 3.47Å; A8-R11 PolarHBondContact O-N 2.9Å; I9-R11 PolarHBondContact O-N 3.48Å; R11-N14 PolarHBondContact O-N 2.97Å; R11-E15 HydrophobicContact CG-CG 4.43Å; R11-E15 WeakPolarHBondContact CG-OE1 3.5Å; R11-E15 IonicContact CZ-OE1 2.78Å; R11-E15 IonicContact NE-OE1 3.25Å; R11-E15 PolarHBondContact NE-OE1 2.86Å; R11-E15 IonicContact NH2-OE1 2.83Å; R11-E15 WeakPolarHBondContact O-CB 3.21Å; R11-E15 WeakPolarHBondContact O-CG 3.3Å; R11-E15 PolarHBondContact O-N 3.41Å
12F83.2Confident76.2Confident6 Ų658 Ų583%0.02630%0.3CS..Hα-helixtrans-62.5-44.1177.8178.8-113.7000111.8A8 I9 N14 E15 L16 R44 L48 I81A8-F12 WeakPolarHBondContact O-CB 3.2Å; A8-F12 PolarHBondContact O-N 2.99Å; I9-F12 PolarHBondContact O-N 2.88Å; F12-N14 VanDerWaalsContact C-N 3.34Å; F12-N14 PolarHBondContact O-N 3.43Å; F12-E15 PolarHBondContact O-N 3.38Å; F12-L16 HydrophobicContact CD1-CD1 3.91Å; F12-L16 HydrophobicContact CD1-CG 4.44Å; F12-L16 HydrophobicContact CD2-CG 4.36Å; F12-L16 HydrophobicContact CE1-CD1 3.46Å; F12-L16 VanDerWaalsContact CE1-CD1 3.46Å; F12-L16 HydrophobicContact CE1-CG 4.2Å; F12-L16 HydrophobicContact CE2-CD1 4.18Å; F12-L16 HydrophobicContact CE2-CD2 4.17Å; F12-L16 HydrophobicContact CE2-CG 4.05Å; F12-L16 HydrophobicContact CG-CD1 4.49Å; F12-L16 HydrophobicContact CZ-CD1 3.61Å; F12-L16 HydrophobicContact CZ-CD2 4.16Å; F12-L16 HydrophobicContact CZ-CG 3.99Å; F12-L16 WeakPolarHBondContact O-CB 3.2Å; F12-L16 WeakPolarHBondContact O-CG 3.44Å; F12-L16 PolarHBondContact O-N 3.34Å; F12-R44 HydrophobicContact CD2-CB 3.91Å; F12-R44 HydrophobicContact CE2-CB 3.72Å; F12-L48 HydrophobicContact CB-CD1 4.25Å; F12-L48 HydrophobicContact CB-CD2 4Å; F12-L48 HydrophobicContact CD1-CD2 3.42Å; F12-L48 VanDerWaalsContact CD1-CD2 3.42Å; F12-L48 HydrophobicContact CD2-CB 4.41Å; F12-L48 HydrophobicContact CD2-CD2 4.45Å; F12-L48 HydrophobicContact CE1-CD2 3.89Å; F12-L48 HydrophobicContact CG-CB 4.38Å; F12-L48 HydrophobicContact CG-CD2 3.71Å; F12-L48 HydrophobicContact CG-CG 4.48Å; F12-I81 HydrophobicContact CE1-CG1 4.12Å
13I82.5Confident77.8Confident9 Ų952.9 Ų52.95%0.04628%0.275CS..Hα-helixtrans-58.7-45.1174.2-68.4161.8000110.6I9 D10 L16 T17 R68 I72 I77 I81I9-I13 HydrophobicContact CG2-CD1 3.63Å; I9-I13 HydrophobicContact CG2-CG1 4.39Å; I9-I13 WeakPolarHBondContact O-CD1 3.29Å; I9-I13 VanDerWaalsContact O-CG1 3.24Å; I9-I13 WeakPolarHBondContact O-CG1 3.4Å; I9-I13 PolarHBondContact O-N 3.22Å; D10-I13 PolarHBondContact O-N 2.77Å; I13-L16 PolarHBondContact O-N 2.99Å; I13-T17 WeakPolarHBondContact O-CB 3.29Å; I13-T17 PolarHBondContact O-N 2.97Å; I13-T17 PolarHBondContact O-OG1 3.08Å; I13-R68 HydrophobicContact CD1-CB 3.98Å; I13-I72 HydrophobicContact CD1-CD1 4.07Å; I13-I72 HydrophobicContact CG1-CD1 4.08Å; I13-I72 HydrophobicContact CG2-CD1 3.78Å; I13-I72 HydrophobicContact CG2-CG1 4.36Å; I13-I77 HydrophobicContact CG2-CG2 4.46Å; I13-I81 HydrophobicContact CG1-CD1 3.92Å
14N83.8Confident78.5Confident100 Ų10049 Ų4954%0.53526%0.256SS..Hα-helixtrans-65-43.8177.5-71.6-29.8000112.2D10 R11 F12 L16 T17 V18D10-N14 WeakPolarHBondContact O-CB 3.27Å; D10-N14 PolarHBondContact O-N 3.01Å; D10-N14 PolarHBondContact O-ND2 3.14Å; D10-N14 VanDerWaalsContact O-ND2 3.13Å; R11-N14 PolarHBondContact O-N 2.97Å; F12-N14 VanDerWaalsContact C-N 3.34Å; F12-N14 PolarHBondContact O-N 3.43Å; N14-L16 PolarHBondContact O-N 2.92Å; N14-T17 WeakPolarHBondContact O-CB 3.37Å; N14-T17 PolarHBondContact O-N 2.83Å; N14-V18 WeakPolarHBondContact O-CG2 3.3Å; N14-V18 PolarHBondContact O-N 3.42Å
15E84.3Confident78.9Confident54 Ų5449 Ų4925%0.25226%0.263SS..Hα-helixtrans-63.7-39.2176.4-72.8-179.1-161.400111.9R11 F12 V18 S19 R44R11-E15 HydrophobicContact CG-CG 4.43Å; R11-E15 WeakPolarHBondContact CG-OE1 3.5Å; R11-E15 IonicContact CZ-OE1 2.78Å; R11-E15 IonicContact NE-OE1 3.25Å; R11-E15 PolarHBondContact NE-OE1 2.86Å; R11-E15 IonicContact NH2-OE1 2.83Å; R11-E15 WeakPolarHBondContact O-CB 3.21Å; R11-E15 WeakPolarHBondContact O-CG 3.3Å; R11-E15 PolarHBondContact O-N 3.41Å; F12-E15 PolarHBondContact O-N 3.38Å; E15-V18 PolarHBondContact O-N 2.93Å; E15-S19 PolarHBondContact O-N 3.12Å; E15-R44 PolarHBondContact O-NH1 2.91Å; E15-R44 WeakPolarHBondContact OE2-CD 3.21Å; E15-R44 IonicContact OE2-NE 3.84Å; E15-R44 PolarHBondContact OE2-NE 2.62Å
16L83.5Confident79.1Confident1 Ų151.5 Ų51.51%0.00528%0.275CS..Hα-helixtrans-65.8-38.3170.7-72.7-177.5000112.5F12 I13 N14 V18 S19 V20 D41 I77 R80 I81F12-L16 HydrophobicContact CD1-CD1 3.91Å; F12-L16 HydrophobicContact CD1-CG 4.44Å; F12-L16 HydrophobicContact CD2-CG 4.36Å; F12-L16 HydrophobicContact CE1-CD1 3.46Å; F12-L16 VanDerWaalsContact CE1-CD1 3.46Å; F12-L16 HydrophobicContact CE1-CG 4.2Å; F12-L16 HydrophobicContact CE2-CD1 4.18Å; F12-L16 HydrophobicContact CE2-CD2 4.17Å; F12-L16 HydrophobicContact CE2-CG 4.05Å; F12-L16 HydrophobicContact CG-CD1 4.49Å; F12-L16 HydrophobicContact CZ-CD1 3.61Å; F12-L16 HydrophobicContact CZ-CD2 4.16Å; F12-L16 HydrophobicContact CZ-CG 3.99Å; F12-L16 WeakPolarHBondContact O-CB 3.2Å; F12-L16 WeakPolarHBondContact O-CG 3.44Å; F12-L16 PolarHBondContact O-N 3.34Å; I13-L16 PolarHBondContact O-N 2.99Å; N14-L16 PolarHBondContact O-N 2.92Å; L16-V18 VanDerWaalsContact C-N 3.31Å; L16-V18 PolarHBondContact O-N 3.36Å; L16-S19 WeakPolarHBondContact O-CB 3.39Å; L16-S19 PolarHBondContact O-N 3.36Å; L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 2.81Å; L16-D41 HydrophobicContact CD2-CB 3.77Å; L16-D41 WeakPolarHBondContact CD2-OD2 3.36Å; L16-I77 HydrophobicContact CB-CG2 4.25Å; L16-I77 HydrophobicContact CD1-CG2 4.49Å; L16-R80 HydrophobicContact CD1-CB 4.13Å; L16-R80 HydrophobicContact CD2-CB 4.16Å; L16-I81 HydrophobicContact CD1-CD1 4.33Å; L16-I81 HydrophobicContact CD1-CG1 3.55Å
17T81.9Confident78.6Confident42 Ų4251.3 Ų51.326%0.25828%0.282SS..Hα-helixtrans-59.8-44.9176.1-54.50000110.1I13 N14 V20 M21 I77I13-T17 WeakPolarHBondContact O-CB 3.29Å; I13-T17 PolarHBondContact O-N 2.97Å; I13-T17 PolarHBondContact O-OG1 3.08Å; N14-T17 WeakPolarHBondContact O-CB 3.37Å; N14-T17 PolarHBondContact O-N 2.83Å; T17-V20 PolarHBondContact O-N 3.41Å; T17-M21 HydrophobicContact CG2-CG 4.32Å; T17-M21 WeakPolarHBondContact O-CB 3.21Å; T17-M21 WeakPolarHBondContact O-CG 3.35Å; T17-M21 PolarHBondContact O-N 3.09Å; T17-I77 HydrophobicContact CG2-CD1 3.98Å; T17-I77 WeakPolarHBondContact OG1-CD1 3.48Å
18V84.5Confident77.9Confident83 Ų8351.2 Ų51.250%0.50330%0.298SS..Hα-helixtrans-64.2-43.1175.9174.20000111.5N14 E15 L16 V20 M21 L22N14-V18 WeakPolarHBondContact O-CG2 3.3Å; N14-V18 PolarHBondContact O-N 3.42Å; E15-V18 PolarHBondContact O-N 2.93Å; L16-V18 VanDerWaalsContact C-N 3.31Å; L16-V18 PolarHBondContact O-N 3.36Å; V18-V20 VanDerWaalsContact C-N 3.34Å; V18-V20 PolarHBondContact O-N 3.44Å; V18-M21 PolarHBondContact O-N 3.23Å; V18-L22 HydrophobicContact CG1-CD1 3.96Å; V18-L22 HydrophobicContact CG1-CG 4.42Å; V18-L22 WeakPolarHBondContact O-CB 3.37Å; V18-L22 WeakPolarHBondContact O-CG 3.45Å; V18-L22 PolarHBondContact O-N 3.38Å
19S82Confident77.1Confident4 Ų458 Ų583%0.02833%0.328CS..Hα-helixtrans-55.6-47.3173.1-78.10000112.1E15 L16 L22 E23 L37 D41 R44E15-S19 PolarHBondContact O-N 3.12Å; L16-S19 WeakPolarHBondContact O-CB 3.39Å; L16-S19 PolarHBondContact O-N 3.36Å; S19-L22 PolarHBondContact O-N 3.44Å; S19-E23 WeakPolarHBondContact O-CB 3.28Å; S19-E23 PolarHBondContact O-N 3.34Å; S19-L37 WeakPolarHBondContact O-CD2 3.43Å; S19-D41 WeakPolarHBondContact CB-OD2 3.39Å; S19-D41 PolarHBondContact OG-OD1 3.39Å; S19-D41 PolarHBondContact OG-OD2 3.26Å; S19-R44 PolarHBondContact OG-NH1 3.28Å
20V79.9Confident76.1Confident1 Ų161.2 Ų61.21%0.00635%0.345CS..Hα-helixtrans-67.4-42.5-179.71710000111.8L16 T17 V18 L22 E23 E24 R76 I77L16-V20 WeakPolarHBondContact O-CG2 3.38Å; L16-V20 PolarHBondContact O-N 2.81Å; T17-V20 PolarHBondContact O-N 3.41Å; V18-V20 VanDerWaalsContact C-N 3.34Å; V18-V20 PolarHBondContact O-N 3.44Å; V20-L22 PolarHBondContact O-N 2.88Å; V20-E23 PolarHBondContact O-N 3.47Å; V20-E24 HydrophobicContact CG1-CG 4.34Å; V20-E24 WeakPolarHBondContact O-CB 3.48Å; V20-E24 WeakPolarHBondContact O-CG 3.24Å; V20-E24 PolarHBondContact O-N 2.85Å; V20-R76 HydrophobicContact CG1-CB 3.91Å; V20-R76 HydrophobicContact CG1-CG 4.47Å; V20-R76 HydrophobicContact CG2-CB 3.84Å; V20-I77 HydrophobicContact CB-CG1 4.43Å; V20-I77 HydrophobicContact CG2-CG1 4.09Å
21M78.8Confident74.4Confident91 Ų9163.7 Ų63.745%0.44837%0.366SS..Hα-helixtrans-61.8-40.2176.8-68.3-96.799.500112.2T17 V18 S25T17-M21 HydrophobicContact CG2-CG 4.32Å; T17-M21 WeakPolarHBondContact O-CB 3.21Å; T17-M21 WeakPolarHBondContact O-CG 3.35Å; T17-M21 PolarHBondContact O-N 3.09Å; V18-M21 PolarHBondContact O-N 3.23Å; M21-S25 VanDerWaalsContact O-CB 3.26Å; M21-S25 WeakPolarHBondContact O-CB 3.16Å; M21-S25 PolarHBondContact O-N 3.48Å; M21-S25 PolarHBondContact O-OG 2.93Å
22L79.2Confident72.8Confident81 Ų8165.2 Ų65.242%0.42438%0.384SS..Hα-helixtrans-65-43.4174.4-73.4169.2000111.8V18 S19 V20 S25 L26 L37V18-L22 HydrophobicContact CG1-CD1 3.96Å; V18-L22 HydrophobicContact CG1-CG 4.42Å; V18-L22 WeakPolarHBondContact O-CB 3.37Å; V18-L22 WeakPolarHBondContact O-CG 3.45Å; V18-L22 PolarHBondContact O-N 3.38Å; S19-L22 PolarHBondContact O-N 3.44Å; V20-L22 PolarHBondContact O-N 2.88Å; L22-S25 WeakPolarHBondContact CA-OG 3.25Å; L22-S25 PolarHBondContact O-OG 3.02Å; L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 PolarHBondContact O-N 3.47Å; L22-L37 HydrophobicContact CB-CD2 4.08Å
23E75.7Confident71.2Confident40 Ų4072.6 Ų72.619%0.18742%0.418CS..Hα-helixtrans-65.5-35.1177-172.7178.2-108.300113S19 V20 G27 L37 R76 R80S19-E23 WeakPolarHBondContact O-CB 3.28Å; S19-E23 PolarHBondContact O-N 3.34Å; V20-E23 PolarHBondContact O-N 3.47Å; E23-G27 VanDerWaalsContact O-CA 3.25Å; E23-G27 WeakPolarHBondContact O-CA 3.45Å; E23-G27 PolarHBondContact O-N 3.16Å; E23-G27 VanDerWaalsContact O-N 3.16Å; E23-L37 HydrophobicContact CB-CD2 4.37Å; E23-R76 IonicContact OE2-NH1 3.29Å; E23-R76 PolarHBondContact OE2-NH1 3.34Å; E23-R80 IonicContact OE1-CZ 2.73Å; E23-R80 IonicContact OE1-NH2 3.39Å; E23-R80 PolarHBondContact OE1-NH2 3.1Å; E23-R80 IonicContact OE2-CZ 3.8Å; E23-R80 IonicContact OE2-NH2 3.56Å; E23-R80 PolarHBondContact OE2-NH2 3.37Å
24E71.9Confident69.7Low83 Ų8374.3 Ų74.339%0.38844%0.438SS..Hα-helixtrans-76-40.9176.3-74.1176.417600112.5V20 R76V20-E24 HydrophobicContact CG1-CG 4.34Å; V20-E24 WeakPolarHBondContact O-CB 3.48Å; V20-E24 WeakPolarHBondContact O-CG 3.24Å; V20-E24 PolarHBondContact O-N 2.85Å; E24-R76 IonicContact OE1-CZ 3.81Å; E24-R76 IonicContact OE1-NE 3.58Å
25S75.5Confident68.4Low86 Ų8674.1 Ų74.160%0.60144%0.435SS*.Hα-helixtrans-74.5-31.6-178.357.80000114.1M21 L22M21-S25 VanDerWaalsContact O-CB 3.26Å; M21-S25 WeakPolarHBondContact O-CB 3.16Å; M21-S25 PolarHBondContact O-N 3.48Å; M21-S25 PolarHBondContact O-OG 2.93Å; L22-S25 WeakPolarHBondContact CA-OG 3.25Å; L22-S25 PolarHBondContact O-OG 3.02Å
26L70.8Confident67.6Low81 Ų8175.1 Ų75.142%0.42445%0.448SS..Hα-helixtrans-112.16.3-177-62.7170.9000113.8L22 G28 M29 I30L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 PolarHBondContact O-N 3.47Å; L26-G28 PolarHBondContact O-N 2.84Å; L26-M29 HydrophobicContact CD2-SD 4.33Å; L26-M29 PolarHBondContact O-N 2.78Å; L26-I30 HydrophobicContact CB-CD1 4.03Å; L26-I30 HydrophobicContact CB-CG1 4.41Å; L26-I30 WeakPolarHBondContact O-CG1 3.38Å; L26-I30 PolarHBondContact O-N 2.72Å
27G61.3Low67.1Low42 Ų4276.9 Ų76.943%0.43346%0.457SS..THydrogen-bonded Turntrans-56.5-24.6-171.100000116E23E23-G27 VanDerWaalsContact O-CA 3.25Å; E23-G27 WeakPolarHBondContact O-CA 3.45Å; E23-G27 PolarHBondContact O-N 3.16Å; E23-G27 VanDerWaalsContact O-N 3.16Å
28G58.8Low66.5Low81 Ų8175.5 Ų75.584%0.83545%0.449SS*.THydrogen-bonded Turntrans-78.3-16173.600000115.2L26L26-G28 PolarHBondContact O-N 2.84Å
29M59Low65.9Low159 Ų15975.5 Ų75.578%0.78345%0.446SS*.THydrogen-bonded Turntrans-97.3-13.3174-66.1-179.166.200112.7L26 S31L26-M29 HydrophobicContact CD2-SD 4.33Å; L26-M29 PolarHBondContact O-N 2.78Å; M29-S31 VanDerWaalsContact C-N 3.33Å; M29-S31 PolarHBondContact O-N 3.46Å
30I58.2Low65.7Low69 Ų6980.2 Ų80.235%0.35447%0.469SS..  trans-95.462.6179.8-52.2165000108.6L26L26-I30 HydrophobicContact CB-CD1 4.03Å; L26-I30 HydrophobicContact CB-CG1 4.41Å; L26-I30 WeakPolarHBondContact O-CG1 3.38Å; L26-I30 PolarHBondContact O-N 2.72Å
31S45.2Very low65.7Low91 Ų9180.4 Ų80.464%0.63647%0.47SS*.  trans-85.4141.217452.20000112.1M29 E33M29-S31 VanDerWaalsContact C-N 3.33Å; M29-S31 PolarHBondContact O-N 3.46Å; S31-E33 PolarHBondContact O-N 3.19Å
32D49.6Very low65.4Low165 Ų16577.4 Ų77.488%0.88246%0.457SS*.SBendtrans71.5-26.3167.2-57.2-13.9000120.8
33E49.2Very low65.4Low162 Ų16278.9 Ų78.976%0.75746%0.464SS*.  trans-126.372.2173.3-72.2-161.9-178.800115.1S31 M35S31-E33 PolarHBondContact O-N 3.19Å; E33-M35 PolarHBondContact O-N 3.18Å
34G49.7Very low65.7Low45 Ų4579.6 Ų79.646%0.46447%0.465SS..THydrogen-bonded Turntrans-69.639.4177.300000116.9T38G34-T38 PolarHBondContact O-OG1 3.18Å
35M56.8Low65.9Low95 Ų9575.9 Ų75.947%0.46845%0.448SS..THydrogen-bonded Turntrans-101.5-16.3-174.3-71.5-79.7-79.900114.5E33 T38 N39E33-M35 PolarHBondContact O-N 3.18Å; M35-T38 PolarHBondContact O-OG1 3.23Å; M35-N39 WeakPolarHBondContact O-CB 3.3Å; M35-N39 VanDerWaalsContact O-CG 3.27Å; M35-N39 PolarHBondContact O-N 3.15Å; M35-N39 PolarHBondContact O-ND2 3.23Å
36S68.4Low65.9Low76 Ų7675.9 Ų75.953%0.53144%0.439SS..Hα-helixtrans-76.2-55.6-168.858.90000114.2M40S36-M40 PolarHBondContact O-N 3.45Å
37L72.6Confident66.3Low37 Ų3777.8 Ų77.819%0.19444%0.443CS..Hα-helixtrans-70.1-34.6-179.5-8877.8000112.9S19 L22 E23 M40 D41S19-L37 WeakPolarHBondContact O-CD2 3.43Å; L22-L37 HydrophobicContact CB-CD2 4.08Å; E23-L37 HydrophobicContact CB-CD2 4.37Å; L37-M40 PolarHBondContact O-N 3.34Å; L37-D41 PolarHBondContact O-N 3.42Å; L37-D41 VanDerWaalsContact O-N 3.1Å
38T70.3Confident67.1Low13 Ų1376 Ų768%0.0842%0.424CS..Hα-helixtrans-65.1-42.4179.942.90000111.7G34 M35 M40 D41 V42 P1969G34-T38 PolarHBondContact O-OG1 3.18Å; M35-T38 PolarHBondContact O-OG1 3.23Å; T38-M40 PolarHBondContact O-N 3.46Å; T38-D41 PolarHBondContact O-N 2.97Å; T38-V42 WeakPolarHBondContact O-CG2 3.07Å; T38-V42 PolarHBondContact O-N 3Å; T38-P1969 HydrophobicContact CG2-CG 4.03Å
39N72Confident67.9Low83 Ų8372.4 Ų72.444%0.44439%0.385SS..Hα-helixtrans-63.2-38.3173.8-78.2-25.6000112.9M35 D41 V42 I43M35-N39 WeakPolarHBondContact O-CB 3.3Å; M35-N39 VanDerWaalsContact O-CG 3.27Å; M35-N39 PolarHBondContact O-N 3.15Å; M35-N39 PolarHBondContact O-ND2 3.23Å; N39-D41 VanDerWaalsContact C-N 3.32Å; N39-D41 PolarHBondContact O-N 3.21Å; N39-V42 PolarHBondContact O-N 3.5Å; N39-I43 WeakPolarHBondContact O-CG1 3.2Å; N39-I43 PolarHBondContact O-N 3.29Å; N39-I43 VanDerWaalsContact O-N 3.14Å
40M76.6Confident68.7Low104 Ų10467.5 Ų67.551%0.51237%0.367SS..Hα-helixtrans-61.6-40.6174-71.3-119.3-73.800112S36 L37 T38 I43 R44S36-M40 PolarHBondContact O-N 3.45Å; L37-M40 PolarHBondContact O-N 3.34Å; T38-M40 PolarHBondContact O-N 3.46Å; M40-I43 PolarHBondContact O-N 3.14Å; M40-R44 VanDerWaalsContact O-CG 3.31Å; M40-R44 WeakPolarHBondContact O-CG 3.4Å; M40-R44 PolarHBondContact O-N 2.94Å
41D79.5Confident69.4Low4 Ų468.4 Ų68.42%0.02137%0.37CS..Hα-helixtrans-71-30.6178.4-70.7-9.2000112.9L16 S19 L37 T38 N39 R44 S45 R80L16-D41 HydrophobicContact CD2-CB 3.77Å; L16-D41 WeakPolarHBondContact CD2-OD2 3.36Å; S19-D41 WeakPolarHBondContact CB-OD2 3.39Å; S19-D41 PolarHBondContact OG-OD1 3.39Å; S19-D41 PolarHBondContact OG-OD2 3.26Å; L37-D41 PolarHBondContact O-N 3.42Å; L37-D41 VanDerWaalsContact O-N 3.1Å; T38-D41 PolarHBondContact O-N 2.97Å; N39-D41 VanDerWaalsContact C-N 3.32Å; N39-D41 PolarHBondContact O-N 3.21Å; D41-R44 PolarHBondContact O-N 3.18Å; D41-R44 IonicContact OD1-CZ 3.95Å; D41-R44 IonicContact OD1-NH1 3.88Å; D41-R44 PolarHBondContact OD1-NH1 2.9Å; D41-S45 VanDerWaalsContact O-CB 3.23Å; D41-S45 WeakPolarHBondContact O-CB 3.46Å; D41-S45 PolarHBondContact O-N 3.39Å; D41-R80 WeakPolarHBondContact OD2-CD 3.45Å; D41-R80 IonicContact OD2-CZ 3.84Å; D41-R80 IonicContact OD2-NE 3.61Å; D41-R80 IonicContact OD2-NH1 2.7Å; D41-R80 PolarHBondContact OD2-NH1 3.24Å
42V74.3Confident70.6Confident29 Ų2964.2 Ų64.218%0.17634%0.34CS..Hα-helixtrans-61.8-46168.9174.80000111.1T38 N39 R44 S45 Q46 W83T38-V42 WeakPolarHBondContact O-CG2 3.07Å; T38-V42 PolarHBondContact O-N 3Å; N39-V42 PolarHBondContact O-N 3.5Å; V42-R44 PolarHBondContact O-N 3.03Å; V42-S45 WeakPolarHBondContact O-CB 3.39Å; V42-S45 PolarHBondContact O-N 2.97Å; V42-Q46 HydrophobicContact CG1-CG 4.4Å; V42-Q46 WeakPolarHBondContact O-CG 3.49Å; V42-Q46 PolarHBondContact O-N 2.85Å; V42-W83 HydrophobicContact CG2-CH2 3.15Å; V42-W83 HydrophobicContact CG2-CZ2 3.88Å; V42-W83 HydrophobicContact CG2-CZ3 3.65Å
43I78.5Confident71.3Confident112 Ų11257.7 Ų57.757%0.57431%0.305SS*.Hα-helixtrans-64.4-42.1179.8-65.9165000110.4N39 M40 Q46 K47N39-I43 WeakPolarHBondContact O-CG1 3.2Å; N39-I43 PolarHBondContact O-N 3.29Å; N39-I43 VanDerWaalsContact O-N 3.14Å; M40-I43 PolarHBondContact O-N 3.14Å; I43-Q46 PolarHBondContact O-N 3.48Å; I43-K47 WeakPolarHBondContact O-CB 3.4Å; I43-K47 PolarHBondContact O-N 3.37Å
44R80.9Confident71.9Confident55 Ų5557 Ų5721%0.20831%0.306CS..Hα-helixtrans-62.1-41.9173.6-70167.3175.7160.3-4.6112.3F12 E15 S19 M40 D41 V42 K47 L48F12-R44 HydrophobicContact CD2-CB 3.91Å; F12-R44 HydrophobicContact CE2-CB 3.72Å; E15-R44 PolarHBondContact O-NH1 2.91Å; E15-R44 WeakPolarHBondContact OE2-CD 3.21Å; E15-R44 IonicContact OE2-NE 3.84Å; E15-R44 PolarHBondContact OE2-NE 2.62Å; S19-R44 PolarHBondContact OG-NH1 3.28Å; M40-R44 VanDerWaalsContact O-CG 3.31Å; M40-R44 WeakPolarHBondContact O-CG 3.4Å; M40-R44 PolarHBondContact O-N 2.94Å; D41-R44 PolarHBondContact O-N 3.18Å; D41-R44 IonicContact OD1-CZ 3.95Å; D41-R44 IonicContact OD1-NH1 3.88Å; D41-R44 PolarHBondContact OD1-NH1 2.9Å; V42-R44 PolarHBondContact O-N 3.03Å; R44-K47 PolarHBondContact O-N 2.86Å; R44-L48 PolarHBondContact O-N 3.09Å
45S76.6Confident72.3Confident5 Ų557.9 Ų57.94%0.03530%0.298CS..Hα-helixtrans-59.9-52174.91540000111.5D41 V42 K47 L48 W49 S84D41-S45 VanDerWaalsContact O-CB 3.23Å; D41-S45 WeakPolarHBondContact O-CB 3.46Å; D41-S45 PolarHBondContact O-N 3.39Å; V42-S45 WeakPolarHBondContact O-CB 3.39Å; V42-S45 PolarHBondContact O-N 2.97Å; S45-K47 PolarHBondContact O-N 3.39Å; S45-L48 PolarHBondContact O-N 3.49Å; S45-L48 VanDerWaalsContact O-N 3.16Å; S45-W49 PolarHBondContact O-N 2.62Å; S45-S84 VanDerWaalsContact OG-CB 3.28Å; S45-S84 WeakPolarHBondContact OG-CB 3.32Å
46Q76.5Confident72.6Confident86 Ų8664 Ų6440%0.40232%0.323SS..Hα-helixtrans-59.8-37.6177.7-72.2175.56.300111.8V42 I43 S50 F87V42-Q46 HydrophobicContact CG1-CG 4.4Å; V42-Q46 WeakPolarHBondContact O-CG 3.49Å; V42-Q46 PolarHBondContact O-N 2.85Å; I43-Q46 PolarHBondContact O-N 3.48Å; Q46-S50 WeakPolarHBondContact O-CB 3.45Å; Q46-S50 PolarHBondContact O-N 3.34Å; Q46-S50 PolarHBondContact O-OG 3.13Å; Q46-F87 HydrophobicContact CG-CD1 4.26Å; Q46-F87 HydrophobicContact CG-CE1 3.69Å; Q46-F87 HydrophobicContact CG-CZ 4.44Å; Q46-F87 VanDerWaalsContact NE2-CE1 3.29Å
47K79.3Confident72.5Confident120 Ų12061.8 Ų61.852%0.52231%0.307SS..Hα-helixtrans-66.3-46.7174.2-172.1172.6176.3177.70112.2I43 R44 S45 W49 S50 E51I43-K47 WeakPolarHBondContact O-CB 3.4Å; I43-K47 PolarHBondContact O-N 3.37Å; R44-K47 PolarHBondContact O-N 2.86Å; S45-K47 PolarHBondContact O-N 3.39Å; K47-W49 PolarHBondContact O-N 2.93Å; K47-S50 WeakPolarHBondContact CA-OG 3.5Å; K47-S50 PolarHBondContact O-N 2.93Å; K47-S50 PolarHBondContact O-OG 3.09Å; K47-S50 VanDerWaalsContact O-OG 3.05Å; K47-E51 WeakPolarHBondContact CE-OE1 3.37Å; K47-E51 WeakPolarHBondContact O-CB 3.49Å; K47-E51 WeakPolarHBondContact O-CG 3.2Å; K47-E51 PolarHBondContact O-N 3.19Å
48L78.2Confident72.3Confident6 Ų665.4 Ų65.43%0.03132%0.318CS..Hα-helixtrans-57.3-51.1175.3179.670000111.2A8 I9 F12 R44 S45 S50 E51 I52A8-L48 HydrophobicContact CB-CD1 3.84Å; I9-L48 HydrophobicContact CG1-CD1 4.19Å; F12-L48 HydrophobicContact CB-CD1 4.25Å; F12-L48 HydrophobicContact CB-CD2 4Å; F12-L48 HydrophobicContact CD1-CD2 3.42Å; F12-L48 VanDerWaalsContact CD1-CD2 3.42Å; F12-L48 HydrophobicContact CD2-CB 4.41Å; F12-L48 HydrophobicContact CD2-CD2 4.45Å; F12-L48 HydrophobicContact CE1-CD2 3.89Å; F12-L48 HydrophobicContact CG-CB 4.38Å; F12-L48 HydrophobicContact CG-CD2 3.71Å; F12-L48 HydrophobicContact CG-CG 4.48Å; R44-L48 PolarHBondContact O-N 3.09Å; S45-L48 PolarHBondContact O-N 3.49Å; S45-L48 VanDerWaalsContact O-N 3.16Å; L48-S50 PolarHBondContact O-N 3.5Å; L48-E51 PolarHBondContact O-N 2.92Å; L48-I52 HydrophobicContact CD1-CD1 3.75Å; L48-I52 HydrophobicContact CD1-CG1 4.19Å; L48-I52 HydrophobicContact CD2-CD1 4.17Å; L48-I52 HydrophobicContact CG-CD1 3.7Å; L48-I52 HydrophobicContact CG-CG1 4.35Å; L48-I52 WeakPolarHBondContact O-CB 3.44Å; L48-I52 WeakPolarHBondContact O-CG1 3.36Å; L48-I52 PolarHBondContact O-N 3.22Å
49W75.8Confident72.4Confident4 Ų469.8 Ų69.82%0.01534%0.336CS..Hα-helixtrans-68.4-35-176.9-67.8116.4000112.5S45 K47 I52 L53 L62 L65 S84 I85 A88 M93 F94S45-W49 PolarHBondContact O-N 2.62Å; K47-W49 PolarHBondContact O-N 2.93Å; W49-I52 HydrophobicContact CE3-CB 4.44Å; W49-I52 HydrophobicContact CE3-CD1 4.25Å; W49-I52 HydrophobicContact CE3-CG2 4.38Å; W49-I52 HydrophobicContact CZ3-CD1 4.21Å; W49-I52 HydrophobicContact CZ3-CG2 4.43Å; W49-I52 PolarHBondContact O-N 3.42Å; W49-L53 HydrophobicContact CB-CD1 4.16Å; W49-L53 HydrophobicContact CE3-CD1 4.15Å; W49-L53 VanDerWaalsContact O-CB 3.31Å; W49-L53 WeakPolarHBondContact O-CB 3.48Å; W49-L53 WeakPolarHBondContact O-CD1 3.47Å; W49-L53 PolarHBondContact O-N 3.17Å; W49-L62 HydrophobicContact CH2-CD2 4.17Å; W49-L62 HydrophobicContact CZ3-CD2 4.49Å; W49-L65 HydrophobicContact CH2-CD2 3.76Å; W49-L65 HydrophobicContact CZ2-CD2 4.1Å; W49-S84 VanDerWaalsContact NE1-CB 3.29Å; W49-S84 PolarHBondContact NE1-O 2.9Å; W49-S84 PolarHBondContact NE1-OG 3.49Å; W49-I85 HydrophobicContact CH2-CG1 4.06Å; W49-I85 HydrophobicContact CZ2-CG1 3.64Å; W49-A88 HydrophobicContact CG-CB 4.5Å; W49-M93 HydrophobicContact CB-CE 4.38Å; W49-M93 HydrophobicContact CB-SD 3.95Å; W49-F94 HydrophobicContact CE3-CE2 4.06Å; W49-F94 AromaticContact CZ3-CE2 3.88Å; W49-F94 HydrophobicContact CZ3-CE2 3.88Å; W49-F94 HydrophobicContact CZ3-CZ 4.15Å
50S74.6Confident72.4Confident57 Ų5775.6 Ų75.640%0.39935%0.352SS..Hα-helixtrans-69.1-31.8172.154.20000113.4Q46 K47 L48 N54Q46-S50 WeakPolarHBondContact O-CB 3.45Å; Q46-S50 PolarHBondContact O-N 3.34Å; Q46-S50 PolarHBondContact O-OG 3.13Å; K47-S50 WeakPolarHBondContact CA-OG 3.5Å; K47-S50 PolarHBondContact O-N 2.93Å; K47-S50 PolarHBondContact O-OG 3.09Å; K47-S50 VanDerWaalsContact O-OG 3.05Å; L48-S50 PolarHBondContact O-N 3.5Å; S50-N54 PolarHBondContact O-ND2 2.93Å; S50-N54 VanDerWaalsContact O-ND2 3.12Å
51E73.3Confident72.2Confident88 Ų8870.8 Ų70.841%0.41133%0.329SS..Hα-helixtrans-70.1-41.7170.9-73.7176.4-168.300112.1K47 L48K47-E51 WeakPolarHBondContact CE-OE1 3.37Å; K47-E51 WeakPolarHBondContact O-CB 3.49Å; K47-E51 WeakPolarHBondContact O-CG 3.2Å; K47-E51 PolarHBondContact O-N 3.19Å; L48-E51 PolarHBondContact O-N 2.92Å
52I71Confident72.1Confident2 Ų271 Ų711%0.0133%0.33CS..Hα-helixtrans-71-44.8178.8-69.8176000112.3I9 L48 W49 N54 Q55 A61I9-I52 HydrophobicContact CD1-CD1 4.07Å; I9-I52 HydrophobicContact CG1-CD1 3.94Å; L48-I52 HydrophobicContact CD1-CD1 3.75Å; L48-I52 HydrophobicContact CD1-CG1 4.19Å; L48-I52 HydrophobicContact CD2-CD1 4.17Å; L48-I52 HydrophobicContact CG-CD1 3.7Å; L48-I52 HydrophobicContact CG-CG1 4.35Å; L48-I52 WeakPolarHBondContact O-CB 3.44Å; L48-I52 WeakPolarHBondContact O-CG1 3.36Å; L48-I52 PolarHBondContact O-N 3.22Å; W49-I52 HydrophobicContact CE3-CB 4.44Å; W49-I52 HydrophobicContact CE3-CD1 4.25Å; W49-I52 HydrophobicContact CE3-CG2 4.38Å; W49-I52 HydrophobicContact CZ3-CD1 4.21Å; W49-I52 HydrophobicContact CZ3-CG2 4.43Å; W49-I52 PolarHBondContact O-N 3.42Å; I52-N54 PolarHBondContact O-N 3.29Å; I52-Q55 WeakPolarHBondContact O-CB 3.49Å; I52-Q55 PolarHBondContact O-N 3.4Å; I52-A61 HydrophobicContact CG2-CB 3.64Å
53L63.4Low72.2Confident28 Ų2873.6 Ų73.615%0.14734%0.343CS..Hα-helixtrans-70.3-16.5-173.2-94.196.8000114.8W49 Q55 M93 F94W49-L53 HydrophobicContact CB-CD1 4.16Å; W49-L53 HydrophobicContact CE3-CD1 4.15Å; W49-L53 VanDerWaalsContact O-CB 3.31Å; W49-L53 WeakPolarHBondContact O-CB 3.48Å; W49-L53 WeakPolarHBondContact O-CD1 3.47Å; W49-L53 PolarHBondContact O-N 3.17Å; L53-Q55 PolarHBondContact O-N 3.11Å; L53-M93 HydrophobicContact CD1-CB 3.99Å; L53-M93 HydrophobicContact CD1-CE 3.96Å; L53-M93 HydrophobicContact CD1-CG 4.24Å; L53-M93 HydrophobicContact CD1-SD 3.78Å; L53-M93 HydrophobicContact CD2-CB 3.53Å; L53-M93 HydrophobicContact CD2-CE 4.21Å; L53-M93 HydrophobicContact CD2-CG 3.81Å; L53-M93 HydrophobicContact CD2-SD 4.34Å; L53-M93 HydrophobicContact CG-CB 4.4Å; L53-M93 HydrophobicContact CG-CE 4.43Å; L53-F94 HydrophobicContact CD1-CE2 4.21Å
54N62Low72.1Confident148 Ų14871.3 Ų71.379%0.79133%0.329SS*.THydrogen-bonded Turntrans-72.1-11.9168.9-79.2-31.7000113S50 I52S50-N54 PolarHBondContact O-ND2 2.93Å; S50-N54 VanDerWaalsContact O-ND2 3.12Å; I52-N54 PolarHBondContact O-N 3.29Å
55Q58.8Low72Confident63 Ų6368.8 Ų68.829%0.29432%0.32SS..SBendtrans-100.1142.9176.9-57.2-167.3-2.300112H3 I52 L53 S57H3-Q55 PolarHBondContact O-NE2 3.1Å; H3-Q55 VanDerWaalsContact O-NE2 3.09Å; I52-Q55 WeakPolarHBondContact O-CB 3.49Å; I52-Q55 PolarHBondContact O-N 3.4Å; L53-Q55 PolarHBondContact O-N 3.11Å; Q55-S57 WeakPolarHBondContact CB-OG 3.33Å; Q55-S57 PolarHBondContact O-N 3.17Å; Q55-S57 PolarHBondContact OE1-OG 3.35Å
56K62.9Low72.2Confident225 Ų22568.7 Ų68.798%0.97832%0.319SS*.THydrogen-bonded Turntrans-64.40.4173-79.6-175.6173.4-179.80114.1R58K56-R58 PolarHBondContact O-N 3.32Å
57S64.8Low72.3Confident29 Ų2966.9 Ų66.920%0.20332%0.316CS..THydrogen-bonded Turntrans-89.117.9-174.146.80000114.2Q55 F59 R60 A61Q55-S57 WeakPolarHBondContact CB-OG 3.33Å; Q55-S57 PolarHBondContact O-N 3.17Å; Q55-S57 PolarHBondContact OE1-OG 3.35Å; S57-F59 PolarHBondContact O-N 3.37Å; S57-R60 CarbonylContact O-C 3.41Å; S57-R60 WeakPolarHBondContact O-CA 3.17Å; S57-R60 WeakPolarHBondContact O-CB 3.34Å; S57-R60 PolarHBondContact O-N 3.46Å; S57-A61 WeakPolarHBondContact O-CB 3.5Å; S57-A61 PolarHBondContact O-N 3.33Å
58R68.6Low72.3Confident112 Ų11264.8 Ų64.842%0.42330%0.304SS..Hα-helixtrans-43.7-55-173.2-67.1-171-173.3178.51.9115K56 A61 L62 F94K56-R58 PolarHBondContact O-N 3.32Å; R58-A61 PolarHBondContact O-N 3.26Å; R58-L62 PolarHBondContact O-N 2.73Å; R58-L62 VanDerWaalsContact O-N 3.12Å; R58-F94 HydrophobicContact CB-CE1 4.15Å
59F72.4Confident72.5Confident106 Ų10664.5 Ų64.547%0.46530%0.303SS..Hα-helixtrans-67.6-42.6177.5-67-73000112.4S57 A61 L62 D63 E98S57-F59 PolarHBondContact O-N 3.37Å; F59-A61 VanDerWaalsContact C-N 3.26Å; F59-A61 PolarHBondContact O-N 3.17Å; F59-L62 CarbonylContact O-C 3.55Å; F59-L62 WeakPolarHBondContact O-CA 3.47Å; F59-L62 WeakPolarHBondContact O-CB 3.26Å; F59-L62 PolarHBondContact O-N 3.08Å; F59-L62 VanDerWaalsContact O-N 3.08Å; F59-D63 VanDerWaalsContact O-CG 3.29Å; F59-D63 PolarHBondContact O-N 3.21Å; F59-E98 HydrophobicContact CE1-CB 4.34Å
60R72.8Confident72.7Confident204 Ų20466.1 Ų66.177%0.7732%0.317SS*.Hα-helixtrans-59.2-34.3173.6-95.1-172.2178.3-179.20.2113.5S57 F64S57-R60 CarbonylContact O-C 3.41Å; S57-R60 WeakPolarHBondContact O-CA 3.17Å; S57-R60 WeakPolarHBondContact O-CB 3.34Å; S57-R60 PolarHBondContact O-N 3.46Å; R60-F64 VanDerWaalsContact O-CB 3.25Å; R60-F64 WeakPolarHBondContact O-CB 3.36Å; R60-F64 PolarHBondContact O-N 2.89Å
61A71.5Confident73Confident4 Ų466.6 Ų66.63%0.03332%0.32CS..Hα-helixtrans-71.2-38.2176.600000110.8I52 S57 R58 F59 L65I52-A61 HydrophobicContact CG2-CB 3.64Å; S57-A61 WeakPolarHBondContact O-CB 3.5Å; S57-A61 PolarHBondContact O-N 3.33Å; R58-A61 PolarHBondContact O-N 3.26Å; F59-A61 VanDerWaalsContact C-N 3.26Å; F59-A61 PolarHBondContact O-N 3.17Å; A61-L65 WeakPolarHBondContact O-CB 3.27Å; A61-L65 PolarHBondContact O-N 3.38Å
62L77.3Confident73.4Confident7 Ų763.5 Ų63.54%0.03731%0.306CS..Hα-helixtrans-63.6-49.6168.9-69.8174.8000111.3W49 R58 F59 F64 L65 M66 F94 I99W49-L62 HydrophobicContact CH2-CD2 4.17Å; W49-L62 HydrophobicContact CZ3-CD2 4.49Å; R58-L62 PolarHBondContact O-N 2.73Å; R58-L62 VanDerWaalsContact O-N 3.12Å; F59-L62 CarbonylContact O-C 3.55Å; F59-L62 WeakPolarHBondContact O-CA 3.47Å; F59-L62 WeakPolarHBondContact O-CB 3.26Å; F59-L62 PolarHBondContact O-N 3.08Å; F59-L62 VanDerWaalsContact O-N 3.08Å; L62-F64 VanDerWaalsContact C-N 3.34Å; L62-F64 PolarHBondContact O-N 3.11Å; L62-L65 CarbonylContact O-C 3.53Å; L62-L65 WeakPolarHBondContact O-CB 3.49Å; L62-L65 PolarHBondContact O-N 3.32Å; L62-L65 VanDerWaalsContact O-N 3.16Å; L62-M66 VanDerWaalsContact O-CG 3.27Å; L62-M66 WeakPolarHBondContact O-CG 2.98Å; L62-M66 PolarHBondContact O-N 3.07Å; L62-F94 HydrophobicContact CD1-CD1 4.14Å; L62-F94 HydrophobicContact CD1-CE1 3.64Å; L62-F94 HydrophobicContact CD1-CZ 4.08Å; L62-F94 HydrophobicContact CD2-CZ 4.25Å; L62-F94 HydrophobicContact CG-CE1 4.17Å; L62-F94 HydrophobicContact CG-CZ 4.14Å; L62-I99 HydrophobicContact CD1-CG1 4.49Å
63D77.4Confident73.8Confident85 Ų8572.3 Ų72.346%0.45534%0.344SS..Hα-helixtrans-58.3-44.5178.7-63.6-34.1000112F59 M66 S67F59-D63 VanDerWaalsContact O-CG 3.29Å; F59-D63 PolarHBondContact O-N 3.21Å; D63-M66 WeakPolarHBondContact O-CB 3.08Å; D63-M66 PolarHBondContact O-N 3.05Å; D63-S67 PolarHBondContact O-N 3.39Å
64F76.2Confident74.6Confident63 Ų6374.8 Ų74.828%0.27636%0.355SS..Hα-helixtrans-67.3-41176.2-172.9-96.7000112V6 I9 R60 L62 M66 S67 R68V6-F64 HydrophobicContact CB-CE1 3.88Å; V6-F64 HydrophobicContact CB-CZ 3.94Å; V6-F64 HydrophobicContact CG1-CE1 3.71Å; V6-F64 HydrophobicContact CG1-CE2 4.3Å; V6-F64 HydrophobicContact CG1-CZ 3.42Å; V6-F64 VanDerWaalsContact CG1-CZ 3.42Å; V6-F64 HydrophobicContact CG2-CD1 4.07Å; V6-F64 HydrophobicContact CG2-CD2 4.19Å; V6-F64 HydrophobicContact CG2-CE1 3.72Å; V6-F64 HydrophobicContact CG2-CE2 3.86Å; V6-F64 HydrophobicContact CG2-CG 4.3Å; V6-F64 HydrophobicContact CG2-CZ 3.62Å; I9-F64 HydrophobicContact CD1-CD1 3.99Å; R60-F64 VanDerWaalsContact O-CB 3.25Å; R60-F64 WeakPolarHBondContact O-CB 3.36Å; R60-F64 PolarHBondContact O-N 2.89Å; L62-F64 VanDerWaalsContact C-N 3.34Å; L62-F64 PolarHBondContact O-N 3.11Å; F64-M66 VanDerWaalsContact C-N 3.29Å; F64-M66 PolarHBondContact O-N 2.75Å; F64-S67 WeakPolarHBondContact O-CB 3.47Å; F64-S67 PolarHBondContact O-N 3.38Å; F64-R68 HydrophobicContact CD1-CG 3.91Å; F64-R68 HydrophobicContact CE1-CG 3.33Å; F64-R68 HydrophobicContact CE2-CG 4.29Å; F64-R68 HydrophobicContact CZ-CG 3.54Å; F64-R68 WeakPolarHBondContact O-CG 3.31Å; F64-R68 PolarHBondContact O-N 2.93Å
65L79.5Confident75.6Confident3 Ų368.8 Ų68.82%0.01632%0.323CS..Hα-helixtrans-58.8-42.6172.5-17467.9000110.5I9 W49 A61 L62 S67 R68 L69 I81 I85I9-L65 HydrophobicContact CD1-CB 4.35Å; I9-L65 HydrophobicContact CD1-CD1 4.48Å; I9-L65 HydrophobicContact CG1-CD1 4.43Å; I9-L65 HydrophobicContact CG2-CD1 3.7Å; W49-L65 HydrophobicContact CH2-CD2 3.76Å; W49-L65 HydrophobicContact CZ2-CD2 4.1Å; A61-L65 WeakPolarHBondContact O-CB 3.27Å; A61-L65 PolarHBondContact O-N 3.38Å; L62-L65 CarbonylContact O-C 3.53Å; L62-L65 WeakPolarHBondContact O-CB 3.49Å; L62-L65 PolarHBondContact O-N 3.32Å; L62-L65 VanDerWaalsContact O-N 3.16Å; L65-S67 PolarHBondContact O-N 3.5Å; L65-R68 PolarHBondContact O-N 3.22Å; L65-L69 HydrophobicContact CG-CD1 4.01Å; L65-L69 HydrophobicContact CG-CG 4.3Å; L65-L69 WeakPolarHBondContact O-CB 3.23Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 2.88Å; L65-I81 HydrophobicContact CD1-CG2 3.9Å; L65-I81 HydrophobicContact CD2-CG2 4.03Å; L65-I81 HydrophobicContact CG-CG2 4.21Å; L65-I85 HydrophobicContact CD2-CD1 4.01Å; L65-I85 HydrophobicContact CD2-CG1 4.43Å
66M79.7Confident76.6Confident3 Ų369.2 Ų69.22%0.01532%0.321CS..Hα-helixtrans-61.9-42.2174.8-64-37.4-58.500112.3L62 D63 F64 L69 A70 L103 L116 I120L62-M66 VanDerWaalsContact O-CG 3.27Å; L62-M66 WeakPolarHBondContact O-CG 2.98Å; L62-M66 PolarHBondContact O-N 3.07Å; D63-M66 WeakPolarHBondContact O-CB 3.08Å; D63-M66 PolarHBondContact O-N 3.05Å; F64-M66 VanDerWaalsContact C-N 3.29Å; F64-M66 PolarHBondContact O-N 2.75Å; M66-L69 HydrophobicContact CE-CD1 4.05Å; M66-L69 PolarHBondContact O-N 3.08Å; M66-L69 HydrophobicContact SD-CD1 3.93Å; M66-A70 PolarHBondContact O-N 3.47Å; M66-A70 VanDerWaalsContact O-N 3.11Å; M66-L103 HydrophobicContact CE-CD2 4.08Å; M66-L103 HydrophobicContact SD-CD2 3.77Å; M66-L116 HydrophobicContact CE-CD1 3.96Å; M66-L116 HydrophobicContact CE-CD2 4.43Å; M66-I120 HydrophobicContact CE-CD1 3.22Å; M66-I120 HydrophobicContact CE-CG1 4.13Å
67S79.1Confident77.6Confident48 Ų4858.7 Ų58.734%0.33628%0.276SS..Hα-helixtrans-62.7-43.2176.5-155.40000112.3D63 F64 L65 H108D63-S67 PolarHBondContact O-N 3.39Å; F64-S67 WeakPolarHBondContact O-CB 3.47Å; F64-S67 PolarHBondContact O-N 3.38Å; L65-S67 PolarHBondContact O-N 3.5Å; S67-H108 VanDerWaalsContact CA-CD2 3.4Å; S67-H108 WeakPolarHBondContact CA-CD2 3.47Å; S67-H108 WeakPolarHBondContact CB-NE2 3.25Å; S67-H108 PolarHBondContact OG-CE1 2.87Å; S67-H108 PolarHBondContact OG-NE2 2.93Å
68R79.5Confident78.6Confident75 Ų7557.3 Ų57.328%0.28327%0.266SS..Hα-helixtrans-71.3-40.8175.9-64.9-62.3-72.5132.4-4112.3D10 I13 F64 L65 A70 S71D10-R68 IonicContact OD1-CZ 2.73Å; D10-R68 IonicContact OD1-NE 3.24Å; D10-R68 PolarHBondContact OD1-NE 3.34Å; D10-R68 IonicContact OD1-NH2 3.94Å; D10-R68 PolarHBondContact OD1-NH2 2.91Å; D10-R68 IonicContact OD2-NE 2.68Å; D10-R68 IonicContact OD2-NH2 3.58Å; I13-R68 HydrophobicContact CD1-CB 3.98Å; F64-R68 HydrophobicContact CD1-CG 3.91Å; F64-R68 HydrophobicContact CE1-CG 3.33Å; F64-R68 HydrophobicContact CE2-CG 4.29Å; F64-R68 HydrophobicContact CZ-CG 3.54Å; F64-R68 WeakPolarHBondContact O-CG 3.31Å; F64-R68 PolarHBondContact O-N 2.93Å; L65-R68 PolarHBondContact O-N 3.22Å; R68-A70 PolarHBondContact O-N 3.37Å; R68-S71 PolarHBondContact NH1-OG 3.07Å; R68-S71 WeakPolarHBondContact O-CB 3.4Å; R68-S71 PolarHBondContact O-N 3.06Å; R68-S71 PolarHBondContact O-OG 2.78Å
69L81.6Confident79.3Confident1 Ų152 Ų521%0.00525%0.246CC..Hα-helixtrans-55.4-37.8175.3-83173.9000112.3L65 M66 S71 I72 V78 I81 L82 L116L65-L69 HydrophobicContact CG-CD1 4.01Å; L65-L69 HydrophobicContact CG-CG 4.3Å; L65-L69 WeakPolarHBondContact O-CB 3.23Å; L65-L69 WeakPolarHBondContact O-CG 3.39Å; L65-L69 PolarHBondContact O-N 2.88Å; M66-L69 HydrophobicContact CE-CD1 4.05Å; M66-L69 PolarHBondContact O-N 3.08Å; M66-L69 HydrophobicContact SD-CD1 3.93Å; L69-S71 PolarHBondContact O-N 2.89Å; L69-I72 HydrophobicContact CD2-CD1 4.31Å; L69-I72 PolarHBondContact O-N 3.44Å; L69-V78 HydrophobicContact CD2-CB 4.36Å; L69-V78 HydrophobicContact CD2-CG1 4.14Å; L69-V78 HydrophobicContact CD2-CG2 4.16Å; L69-I81 HydrophobicContact CD1-CG2 4.17Å; L69-I81 HydrophobicContact CD2-CB 3.96Å; L69-I81 HydrophobicContact CD2-CD1 3.58Å; L69-I81 HydrophobicContact CD2-CG1 4.37Å; L69-I81 HydrophobicContact CD2-CG2 3.8Å; L69-I81 HydrophobicContact CG-CG2 4.28Å; L69-L82 HydrophobicContact CD1-CD2 4.42Å; L69-L116 HydrophobicContact CB-CD1 3.74Å; L69-L116 HydrophobicContact CD1-CD1 4.32Å
70A79.6Confident79.8Confident38 Ų3847.5 Ų47.531%0.31423%0.226SC..THydrogen-bonded Turntrans-64.4-22.1175.900000114M66 R68 H108 L116M66-A70 PolarHBondContact O-N 3.47Å; M66-A70 VanDerWaalsContact O-N 3.11Å; R68-A70 PolarHBondContact O-N 3.37Å; A70-H108 HydrophobicContact CB-CB 4.11Å; A70-L116 HydrophobicContact CB-CD2 3.77Å
71S81.6Confident80.4Confident66 Ų6637.8 Ų37.846%0.46219%0.189SC..THydrogen-bonded Turntrans-88.2-10.8178.273.40000114.5R68 L69R68-S71 PolarHBondContact NH1-OG 3.07Å; R68-S71 WeakPolarHBondContact O-CB 3.4Å; R68-S71 PolarHBondContact O-N 3.06Å; R68-S71 PolarHBondContact O-OG 2.78Å; L69-S71 PolarHBondContact O-N 2.89Å
72I82.2Confident81.1Confident24 Ų2437.6 Ų37.612%0.12319%0.188CC..  trans-85.8120.6-173.7-63.4173.2000110.7I13 L69 I77 V78 I81I13-I72 HydrophobicContact CD1-CD1 4.07Å; I13-I72 HydrophobicContact CG1-CD1 4.08Å; I13-I72 HydrophobicContact CG2-CD1 3.78Å; I13-I72 HydrophobicContact CG2-CG1 4.36Å; L69-I72 HydrophobicContact CD2-CD1 4.31Å; L69-I72 PolarHBondContact O-N 3.44Å; I72-I77 HydrophobicContact CD1-CG2 4.16Å; I72-I77 HydrophobicContact CG2-CB 3.97Å; I72-I77 HydrophobicContact CG2-CD1 4.35Å; I72-I77 HydrophobicContact CG2-CG2 4.12Å; I72-V78 HydrophobicContact CB-CG2 4.03Å; I72-V78 HydrophobicContact CG2-CG2 3.87Å; I72-I81 HydrophobicContact CD1-CD1 3.82Å
73K78.1Confident81.4Confident186 Ų18638 Ų3881%0.80919%0.189SC*.  trans-88.2-7.3-179.9-64.2-173.7179.1-177.70115.4I115K73-I115 WeakPolarHBondContact O-CD1 3.49Å
74H82Confident81.7Confident80 Ų8034.1 Ų34.137%0.3717%0.168SC..  trans-104.1117.1178.2-77.7-97.8000111.4R76 I77 V78H74-R76 PolarHBondContact O-N 2.9Å; H74-I77 HydrophobicContact CB-CD1 3.71Å; H74-I77 HydrophobicContact CB-CG1 3.89Å; H74-I77 PolarHBondContact O-N 3.33Å; H74-V78 PolarHBondContact O-N 3.26Å
75E81.8Confident82.1Confident23 Ų2331.1 Ų31.111%0.10716%0.155CC..Hα-helixtrans-57.4-44.2-179.8176-178.2-16900113.7I77 V78 M79 I115 R118 C1972E75-I77 PolarHBondContact O-N 3.42Å; E75-I77 VanDerWaalsContact O-N 3.11Å; E75-V78 PolarHBondContact O-N 3.15Å; E75-M79 HydrophobicContact CG-CG 4.06Å; E75-M79 PolarHBondContact O-N 2.94Å; E75-I115 HydrophobicContact CB-CG2 3.92Å; E75-I115 HydrophobicContact CG-CG2 4.35Å; E75-R118 VanDerWaalsContact CD-NH1 3.31Å; E75-R118 IonicContact OE1-CZ 3.97Å; E75-R118 IonicContact OE1-NE 3.61Å; E75-R118 IonicContact OE1-NH1 2.74Å; E75-R118 PolarHBondContact OE1-NH1 3.37Å; E75-R118 IonicContact OE1-NH2 2.77Å; E75-R118 PolarHBondContact OE1-NH2 2.89Å; E75-R118 IonicContact OE2-CZ 2.91Å; E75-R118 VanDerWaalsContact OE2-CZ 3.27Å; E75-R118 IonicContact OE2-NH1 3.9Å; E75-R118 PolarHBondContact OE2-NH1 3Å; E75-R118 VanDerWaalsContact OE2-NH1 3.14Å; E75-R118 IonicContact OE2-NH2 3.76Å; E75-R118 PolarHBondContact OE2-NH2 3.48Å; E75-C1972 WeakPolarHBondContact OE1-CA 3.31Å; E75-C1972 VanDerWaalsContact OE1-O 3.04Å; E75-C1972 WeakPolarHBondContact OE2-CB 3.45Å; E75-C1972 PolarHBondContact OE2-SG 2.94Å
76R81Confident82.4Confident71 Ų7131 Ų3127%0.26815%0.154SC..Hα-helixtrans-56.5-32.5-177.7-66.3-176.4-179.6-162.412.6112.2V20 E23 E24 H74 R80V20-R76 HydrophobicContact CG1-CB 3.91Å; V20-R76 HydrophobicContact CG1-CG 4.47Å; V20-R76 HydrophobicContact CG2-CB 3.84Å; E23-R76 IonicContact OE2-NH1 3.29Å; E23-R76 PolarHBondContact OE2-NH1 3.34Å; E24-R76 IonicContact OE1-CZ 3.81Å; E24-R76 IonicContact OE1-NE 3.58Å; H74-R76 PolarHBondContact O-N 2.9Å; R76-R80 WeakPolarHBondContact O-CB 3.47Å; R76-R80 VanDerWaalsContact O-CG 3.29Å; R76-R80 WeakPolarHBondContact O-CG 3.42Å; R76-R80 PolarHBondContact O-N 3.3Å
77I83.9Confident82.6Confident4 Ų432.9 Ų32.92%0.02116%0.162CC..Hα-helixtrans-72.1-48.6177.4-54179.1000110I13 L16 T17 V20 I72 H74 E75 M79 R80 I81I13-I77 HydrophobicContact CG2-CG2 4.46Å; L16-I77 HydrophobicContact CB-CG2 4.25Å; L16-I77 HydrophobicContact CD1-CG2 4.49Å; T17-I77 HydrophobicContact CG2-CD1 3.98Å; T17-I77 WeakPolarHBondContact OG1-CD1 3.48Å; V20-I77 HydrophobicContact CB-CG1 4.43Å; V20-I77 HydrophobicContact CG2-CG1 4.09Å; I72-I77 HydrophobicContact CD1-CG2 4.16Å; I72-I77 HydrophobicContact CG2-CB 3.97Å; I72-I77 HydrophobicContact CG2-CD1 4.35Å; I72-I77 HydrophobicContact CG2-CG2 4.12Å; H74-I77 HydrophobicContact CB-CD1 3.71Å; H74-I77 HydrophobicContact CB-CG1 3.89Å; H74-I77 PolarHBondContact O-N 3.33Å; E75-I77 PolarHBondContact O-N 3.42Å; E75-I77 VanDerWaalsContact O-N 3.11Å; I77-M79 VanDerWaalsContact C-N 3.33Å; I77-M79 PolarHBondContact O-N 3.39Å; I77-R80 PolarHBondContact O-N 3.27Å; I77-I81 HydrophobicContact CG2-CD1 3.9Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.38Å; I77-I81 PolarHBondContact O-N 2.87Å
78V85.6Confident82.7Confident0 Ų030.6 Ų30.60%015%0.146CC..Hα-helixtrans-58.2-44176.9175.90000111.1L69 I72 H74 E75 I81 L82 I115 L116 C119L69-V78 HydrophobicContact CD2-CB 4.36Å; L69-V78 HydrophobicContact CD2-CG1 4.14Å; L69-V78 HydrophobicContact CD2-CG2 4.16Å; I72-V78 HydrophobicContact CB-CG2 4.03Å; I72-V78 HydrophobicContact CG2-CG2 3.87Å; H74-V78 PolarHBondContact O-N 3.26Å; E75-V78 PolarHBondContact O-N 3.15Å; V78-I81 PolarHBondContact O-N 2.81Å; V78-L82 PolarHBondContact O-N 2.97Å; V78-I115 HydrophobicContact CB-CG2 4.07Å; V78-I115 HydrophobicContact CG1-CG2 4.42Å; V78-I115 HydrophobicContact CG2-CG2 3.83Å; V78-L116 HydrophobicContact CG1-CD1 4.46Å; V78-C119 HydrophobicContact CG1-CB 3.49Å; V78-C119 VanDerWaalsContact CG1-CB 3.49Å
79M83.7Confident83Confident1 Ų127 Ų271%0.00513%0.133CC..Hα-helixtrans-66.7-40.1177.1-69.7-60.9-75.100112.9E75 I77 I81 L82 W83 C119 K122 P1970 F1976E75-M79 HydrophobicContact CG-CG 4.06Å; E75-M79 PolarHBondContact O-N 2.94Å; I77-M79 VanDerWaalsContact C-N 3.33Å; I77-M79 PolarHBondContact O-N 3.39Å; M79-I81 VanDerWaalsContact C-N 3.3Å; M79-I81 PolarHBondContact O-N 3.11Å; M79-L82 PolarHBondContact O-N 3.45Å; M79-W83 VanDerWaalsContact O-CB 3.3Å; M79-W83 WeakPolarHBondContact O-CB 3.42Å; M79-W83 PolarHBondContact O-N 3.17Å; M79-C119 HydrophobicContact SD-CB 3.59Å; M79-C119 VanDerWaalsContact SD-CB 3.59Å; M79-C119 PolarHBondContact SD-SG 3.18Å; M79-K122 HydrophobicContact CE-CD 3.97Å; M79-P1970 HydrophobicContact CE-CB 3.55Å; M79-P1970 HydrophobicContact CE-CG 3.61Å; M79-F1976 HydrophobicContact CE-CD2 4.38Å; M79-F1976 HydrophobicContact CE-CE2 3.57Å; M79-F1976 HydrophobicContact CE-CZ 3.73Å; M79-F1976 HydrophobicContact SD-CE2 4.16Å; M79-F1976 HydrophobicContact SD-CZ 4.25Å
80R82.8Confident83.2Confident12 Ų1228.5 Ų28.55%0.04514%0.14CC..Hα-helixtrans-63.2-34.1172.6-75.6-179.6-168.6-114.9-1.6112.1L16 E23 D41 R76 I77 S84 P1969L16-R80 HydrophobicContact CD1-CB 4.13Å; L16-R80 HydrophobicContact CD2-CB 4.16Å; E23-R80 IonicContact OE1-CZ 2.73Å; E23-R80 IonicContact OE1-NH2 3.39Å; E23-R80 PolarHBondContact OE1-NH2 3.1Å; E23-R80 IonicContact OE2-CZ 3.8Å; E23-R80 IonicContact OE2-NH2 3.56Å; E23-R80 PolarHBondContact OE2-NH2 3.37Å; D41-R80 WeakPolarHBondContact OD2-CD 3.45Å; D41-R80 IonicContact OD2-CZ 3.84Å; D41-R80 IonicContact OD2-NE 3.61Å; D41-R80 IonicContact OD2-NH1 2.7Å; D41-R80 PolarHBondContact OD2-NH1 3.24Å; R76-R80 WeakPolarHBondContact O-CB 3.47Å; R76-R80 VanDerWaalsContact O-CG 3.29Å; R76-R80 WeakPolarHBondContact O-CG 3.42Å; R76-R80 PolarHBondContact O-N 3.3Å; I77-R80 PolarHBondContact O-N 3.27Å; R80-S84 PolarHBondContact O-N 3.22Å; R80-P1969 HydrophobicContact CG-CB 3.77Å; R80-P1969 HydrophobicContact CG-CG 4.15Å
81I83.7Confident83.2Confident0 Ų031.7 Ų31.70%015%0.147CC..Hα-helixtrans-71-46174.9-65.4162.7000111.3F12 I13 L16 L65 L69 I72 I77 V78 M79 W83 S84 I85F12-I81 HydrophobicContact CE1-CG1 4.12Å; I13-I81 HydrophobicContact CG1-CD1 3.92Å; L16-I81 HydrophobicContact CD1-CD1 4.33Å; L16-I81 HydrophobicContact CD1-CG1 3.55Å; L65-I81 HydrophobicContact CD1-CG2 3.9Å; L65-I81 HydrophobicContact CD2-CG2 4.03Å; L65-I81 HydrophobicContact CG-CG2 4.21Å; L69-I81 HydrophobicContact CD1-CG2 4.17Å; L69-I81 HydrophobicContact CD2-CB 3.96Å; L69-I81 HydrophobicContact CD2-CD1 3.58Å; L69-I81 HydrophobicContact CD2-CG1 4.37Å; L69-I81 HydrophobicContact CD2-CG2 3.8Å; L69-I81 HydrophobicContact CG-CG2 4.28Å; I72-I81 HydrophobicContact CD1-CD1 3.82Å; I77-I81 HydrophobicContact CG2-CD1 3.9Å; I77-I81 VanDerWaalsContact O-CG1 3.3Å; I77-I81 WeakPolarHBondContact O-CG1 3.38Å; I77-I81 PolarHBondContact O-N 2.87Å; V78-I81 PolarHBondContact O-N 2.81Å; M79-I81 VanDerWaalsContact C-N 3.3Å; M79-I81 PolarHBondContact O-N 3.11Å; I81-W83 VanDerWaalsContact C-N 3.28Å; I81-W83 PolarHBondContact O-N 3.34Å; I81-S84 WeakPolarHBondContact O-CA 3.47Å; I81-S84 VanDerWaalsContact O-CB 3.27Å; I81-S84 WeakPolarHBondContact O-CB 3.42Å; I81-S84 PolarHBondContact O-N 3.12Å; I81-S84 PolarHBondContact O-OG 2.94Å; I81-I85 PolarHBondContact O-N 2.77Å
82L86.2Confident83.1Confident0 Ų033.2 Ų33.20%015%0.153CC..Hα-helixtrans-65.3-33.1176.8-67.7-173.9000112.5L69 V78 M79 S84 I85 D86 C119 I120 L123 F1976L69-L82 HydrophobicContact CD1-CD2 4.42Å; V78-L82 PolarHBondContact O-N 2.97Å; M79-L82 PolarHBondContact O-N 3.45Å; L82-S84 VanDerWaalsContact C-N 3.26Å; L82-S84 PolarHBondContact O-N 2.93Å; L82-I85 HydrophobicContact CD2-CD1 3.9Å; L82-I85 WeakPolarHBondContact O-CB 3.25Å; L82-I85 PolarHBondContact O-N 3.02Å; L82-I85 VanDerWaalsContact O-N 3.08Å; L82-D86 PolarHBondContact O-N 3.36Å; L82-C119 HydrophobicContact CD1-CB 3.54Å; L82-C119 WeakPolarHBondContact CD1-O 3.49Å; L82-I120 HydrophobicContact CD1-CG1 4.37Å; L82-L123 HydrophobicContact CD2-CD2 4.43Å; L82-F1976 HydrophobicContact CB-CE1 4.49Å; L82-F1976 HydrophobicContact CB-CE2 4.32Å; L82-F1976 HydrophobicContact CB-CZ 3.69Å
83W85.3Confident82.9Confident16 Ų1634.3 Ų34.36%0.06116%0.159CC..Hα-helixtrans-61-34.2170-17749.9000112.7V42 M79 I81 I85 D86 F87 S1966 P1969 F1976V42-W83 HydrophobicContact CG2-CH2 3.15Å; V42-W83 HydrophobicContact CG2-CZ2 3.88Å; V42-W83 HydrophobicContact CG2-CZ3 3.65Å; M79-W83 VanDerWaalsContact O-CB 3.3Å; M79-W83 WeakPolarHBondContact O-CB 3.42Å; M79-W83 PolarHBondContact O-N 3.17Å; I81-W83 VanDerWaalsContact C-N 3.28Å; I81-W83 PolarHBondContact O-N 3.34Å; W83-I85 VanDerWaalsContact C-N 3.33Å; W83-I85 PolarHBondContact O-N 3.43Å; W83-D86 PolarHBondContact O-N 2.84Å; W83-F87 PolarHBondContact O-N 3.31Å; W83-F87 VanDerWaalsContact O-N 3.09Å; W83-S1966 PolarHBondContact NE1-O 2.64Å; W83-P1969 HydrophobicContact CB-CB 4.41Å; W83-P1969 HydrophobicContact CD2-CB 3.86Å; W83-P1969 HydrophobicContact CD2-CG 4.47Å; W83-P1969 HydrophobicContact CE3-CB 3.64Å; W83-P1969 HydrophobicContact CE3-CG 3.99Å; W83-P1969 HydrophobicContact CG-CB 4.22Å; W83-P1969 HydrophobicContact CH2-CG 4.39Å; W83-P1969 HydrophobicContact CZ3-CB 4.14Å; W83-P1969 HydrophobicContact CZ3-CG 3.95Å; W83-F1976 HydrophobicContact CB-CE1 3.98Å
84S82.6Confident83Confident2 Ų225.8 Ų25.81%0.01412%0.122CC..Hα-helixtrans-65.1-34.9172.386.60000112.6S45 W49 R80 I81 L82 A88S45-S84 VanDerWaalsContact OG-CB 3.28Å; S45-S84 WeakPolarHBondContact OG-CB 3.32Å; W49-S84 VanDerWaalsContact NE1-CB 3.29Å; W49-S84 PolarHBondContact NE1-O 2.9Å; W49-S84 PolarHBondContact NE1-OG 3.49Å; R80-S84 PolarHBondContact O-N 3.22Å; I81-S84 WeakPolarHBondContact O-CA 3.47Å; I81-S84 VanDerWaalsContact O-CB 3.27Å; I81-S84 WeakPolarHBondContact O-CB 3.42Å; I81-S84 PolarHBondContact O-N 3.12Å; I81-S84 PolarHBondContact O-OG 2.94Å; L82-S84 VanDerWaalsContact C-N 3.26Å; L82-S84 PolarHBondContact O-N 2.93Å; S84-A88 PolarHBondContact O-N 3.14Å; S84-A88 VanDerWaalsContact O-N 3.14Å
85I84.6Confident83.2Confident0 Ų023.4 Ų23.40%012%0.116CC..Hα-helixtrans-70.6-42.6175.5-60.8177.2000110.8W49 L65 I81 L82 W83 F87 A88 I89 I99 L123W49-I85 HydrophobicContact CH2-CG1 4.06Å; W49-I85 HydrophobicContact CZ2-CG1 3.64Å; L65-I85 HydrophobicContact CD2-CD1 4.01Å; L65-I85 HydrophobicContact CD2-CG1 4.43Å; I81-I85 PolarHBondContact O-N 2.77Å; L82-I85 HydrophobicContact CD2-CD1 3.9Å; L82-I85 WeakPolarHBondContact O-CB 3.25Å; L82-I85 PolarHBondContact O-N 3.02Å; L82-I85 VanDerWaalsContact O-N 3.08Å; W83-I85 VanDerWaalsContact C-N 3.33Å; W83-I85 PolarHBondContact O-N 3.43Å; I85-F87 VanDerWaalsContact C-N 3.3Å; I85-F87 PolarHBondContact O-N 3.32Å; I85-A88 WeakPolarHBondContact O-CA 3.42Å; I85-A88 WeakPolarHBondContact O-CB 3.31Å; I85-A88 PolarHBondContact O-N 3.34Å; I85-I89 PolarHBondContact O-N 2.85Å; I85-I89 VanDerWaalsContact O-N 3.11Å; I85-I99 HydrophobicContact CG2-CD1 3.59Å; I85-I99 HydrophobicContact CG2-CG1 4.26Å; I85-I99 HydrophobicContact CG2-CG2 4.04Å; I85-L123 HydrophobicContact CB-CD2 4.44Å; I85-L123 HydrophobicContact CG2-CD2 4.19Å
86D86.3Confident83.4Confident0 Ų022.4 Ų22.40%011%0.111CC..Hα-helixtrans-60.1-40.9177-175.346.9000111.9L82 W83 A88 I89 E90 L123 K126 Y1963 A1965 S1966 F1976L82-D86 PolarHBondContact O-N 3.36Å; W83-D86 PolarHBondContact O-N 2.84Å; D86-A88 VanDerWaalsContact C-N 3.33Å; D86-A88 PolarHBondContact O-N 2.8Å; D86-I89 PolarHBondContact O-N 3.06Å; D86-E90 PolarHBondContact O-N 3.28Å; D86-L123 HydrophobicContact CB-CD1 4.05Å; D86-K126 VanDerWaalsContact OD1-CE 3.29Å; D86-K126 WeakPolarHBondContact OD1-CE 3.35Å; D86-K126 IonicContact OD1-NZ 2.81Å; D86-K126 PolarHBondContact OD1-NZ 3.3Å; D86-K126 IonicContact OD2-NZ 3.7Å; D86-K126 PolarHBondContact OD2-NZ 3.12Å; D86-Y1963 PolarHBondContact OD1-OH 3.44Å; D86-A1965 WeakPolarHBondContact OD2-CA 3.42Å; D86-A1965 WeakPolarHBondContact OD2-CB 3.23Å; D86-S1966 PolarHBondContact OD2-N 2.94Å; D86-S1966 PolarHBondContact OD2-OG 3.25Å; D86-F1976 HydrophobicContact CB-CD1 4.48Å
87F82.7Confident83.7Confident43 Ų4325.9 Ų25.919%0.18912%0.124CC..Hα-helixtrans-63.7-36.2171.8-166.7-94.8000112.8Q46 W83 I85 I89 E90 K91 A1965Q46-F87 HydrophobicContact CG-CD1 4.26Å; Q46-F87 HydrophobicContact CG-CE1 3.69Å; Q46-F87 HydrophobicContact CG-CZ 4.44Å; Q46-F87 VanDerWaalsContact NE2-CE1 3.29Å; W83-F87 PolarHBondContact O-N 3.31Å; W83-F87 VanDerWaalsContact O-N 3.09Å; I85-F87 VanDerWaalsContact C-N 3.3Å; I85-F87 PolarHBondContact O-N 3.32Å; F87-I89 VanDerWaalsContact C-N 3.33Å; F87-I89 PolarHBondContact O-N 2.94Å; F87-E90 PolarHBondContact O-N 3Å; F87-K91 HydrophobicContact CD1-CG 3.94Å; F87-K91 HydrophobicContact CE1-CD 4.25Å; F87-K91 HydrophobicContact CE1-CG 3.59Å; F87-K91 HydrophobicContact CZ-CD 4.37Å; F87-K91 HydrophobicContact CZ-CG 4.14Å; F87-K91 WeakPolarHBondContact O-CG 3.39Å; F87-K91 PolarHBondContact O-N 3.44Å; F87-A1965 HydrophobicContact CB-CB 4.45Å; F87-A1965 HydrophobicContact CD2-CB 4.34Å
88A82.6Confident83.8Confident0 Ų029.5 Ų29.50%014%0.141CC..Hα-helixtrans-65-33.8176.400000112.4W49 S84 I85 D86 K91 T92 M93 F94W49-A88 HydrophobicContact CG-CB 4.5Å; S84-A88 PolarHBondContact O-N 3.14Å; S84-A88 VanDerWaalsContact O-N 3.14Å; I85-A88 WeakPolarHBondContact O-CA 3.42Å; I85-A88 WeakPolarHBondContact O-CB 3.31Å; I85-A88 PolarHBondContact O-N 3.34Å; D86-A88 VanDerWaalsContact C-N 3.33Å; D86-A88 PolarHBondContact O-N 2.8Å; A88-K91 CarbonylContact O-C 3.56Å; A88-K91 PolarHBondContact O-N 2.91Å; A88-T92 PolarHBondContact O-N 2.98Å; A88-M93 HydrophobicContact CB-CB 4.11Å; A88-M93 HydrophobicContact CB-SD 4.22Å; A88-M93 VanDerWaalsContact O-CB 3.28Å; A88-M93 WeakPolarHBondContact O-CB 3.23Å; A88-M93 PolarHBondContact O-N 2.94Å; A88-F94 HydrophobicContact CB-CD2 4.08Å; A88-F94 HydrophobicContact CB-CE2 4.45Å
89I86.1Confident83.8Confident0 Ų029.6 Ų29.60%014%0.142CC..Hα-helixtrans-67.6-45.2174.8-60.1167.1000111.1I85 D86 F87 K91 T92 P96 I99 L127 Y1963I85-I89 PolarHBondContact O-N 2.85Å; I85-I89 VanDerWaalsContact O-N 3.11Å; D86-I89 PolarHBondContact O-N 3.06Å; F87-I89 VanDerWaalsContact C-N 3.33Å; F87-I89 PolarHBondContact O-N 2.94Å; I89-K91 PolarHBondContact O-N 3.46Å; I89-T92 PolarHBondContact O-N 2.81Å; I89-P96 HydrophobicContact CG2-CG 4Å; I89-I99 HydrophobicContact CD1-CD1 3.71Å; I89-I99 HydrophobicContact CD1-CG2 4.35Å; I89-I99 HydrophobicContact CG1-CD1 3.41Å; I89-I99 VanDerWaalsContact CG1-CD1 3.41Å; I89-L127 HydrophobicContact CD1-CD2 3.6Å; I89-Y1963 HydrophobicContact CB-CD1 4.3Å; I89-Y1963 HydrophobicContact CB-CE1 3.64Å; I89-Y1963 WeakPolarHBondContact CD1-OH 3.46Å; I89-Y1963 HydrophobicContact CG2-CD1 3.74Å; I89-Y1963 HydrophobicContact CG2-CD2 4.06Å; I89-Y1963 HydrophobicContact CG2-CE1 3.44Å; I89-Y1963 VanDerWaalsContact CG2-CE1 3.44Å; I89-Y1963 HydrophobicContact CG2-CE2 3.75Å; I89-Y1963 HydrophobicContact CG2-CG 4.06Å; I89-Y1963 VanDerWaalsContact CG2-CZ 3.45Å
90E84.8Confident84.1Confident32 Ų3229.6 Ų29.615%0.1514%0.142CC..Hα-helixtrans-61-36175.9-179.3174.5-175.100111.8D86 F87 T92 H1955 Y1963 A1965D86-E90 PolarHBondContact O-N 3.28Å; F87-E90 PolarHBondContact O-N 3Å; E90-T92 PolarHBondContact O-N 3.19Å; E90-H1955 IonicContact OE1-CE1 2.65Å; E90-H1955 PolarHBondContact OE1-CE1 3.41Å; E90-H1955 IonicContact OE1-ND1 3.99Å; E90-H1955 PolarHBondContact OE1-ND1 3.3Å; E90-Y1963 HydrophobicContact CB-CD1 4.24Å; E90-Y1963 HydrophobicContact CB-CE1 4.5Å; E90-A1965 HydrophobicContact CB-CB 4.03Å; E90-A1965 WeakPolarHBondContact OE2-CB 3.48Å; E90-A1965 PolarHBondContact OE2-N 3.27Å
91K80Confident84.3Confident105 Ų10533.2 Ų33.246%0.45716%0.159SC..THydrogen-bonded Turntrans-79.616.1173.6-62.4-56.7-178.9-168.90114.5F87 A88 I89 M93F87-K91 HydrophobicContact CD1-CG 3.94Å; F87-K91 HydrophobicContact CE1-CD 4.25Å; F87-K91 HydrophobicContact CE1-CG 3.59Å; F87-K91 HydrophobicContact CZ-CD 4.37Å; F87-K91 HydrophobicContact CZ-CG 4.14Å; F87-K91 WeakPolarHBondContact O-CG 3.39Å; F87-K91 PolarHBondContact O-N 3.44Å; A88-K91 CarbonylContact O-C 3.56Å; A88-K91 PolarHBondContact O-N 2.91Å; I89-K91 PolarHBondContact O-N 3.46Å; K91-M93 HydrophobicContact CB-CG 4.08Å; K91-M93 HydrophobicContact CB-SD 4.39Å; K91-M93 PolarHBondContact O-N 3.23Å
92T79Confident84.3Confident98 Ų9833.9 Ų33.960%0.60116%0.164SC*.THydrogen-bonded Turntrans52.424178.2580000115.1A88 I89 E90 F94 P1956A88-T92 PolarHBondContact O-N 2.98Å; I89-T92 PolarHBondContact O-N 2.81Å; E90-T92 PolarHBondContact O-N 3.19Å; T92-F94 VanDerWaalsContact C-N 3.31Å; T92-P1956 HydrophobicContact CG2-CB 3.55Å; T92-P1956 HydrophobicContact CG2-CG 3.65Å
93M78Confident84.4Confident48 Ų4834.1 Ų34.124%0.23617%0.165CC..SBendtrans-74-26.1-179.6-65.4-173.7131.900112.3W49 L53 A88 K91W49-M93 HydrophobicContact CB-CE 4.38Å; W49-M93 HydrophobicContact CB-SD 3.95Å; L53-M93 HydrophobicContact CD1-CB 3.99Å; L53-M93 HydrophobicContact CD1-CE 3.96Å; L53-M93 HydrophobicContact CD1-CG 4.24Å; L53-M93 HydrophobicContact CD1-SD 3.78Å; L53-M93 HydrophobicContact CD2-CB 3.53Å; L53-M93 HydrophobicContact CD2-CE 4.21Å; L53-M93 HydrophobicContact CD2-CG 3.81Å; L53-M93 HydrophobicContact CD2-SD 4.34Å; L53-M93 HydrophobicContact CG-CB 4.4Å; L53-M93 HydrophobicContact CG-CE 4.43Å; A88-M93 HydrophobicContact CB-CB 4.11Å; A88-M93 HydrophobicContact CB-SD 4.22Å; A88-M93 VanDerWaalsContact O-CB 3.28Å; A88-M93 WeakPolarHBondContact O-CB 3.23Å; A88-M93 PolarHBondContact O-N 2.94Å; K91-M93 HydrophobicContact CB-CG 4.08Å; K91-M93 HydrophobicContact CB-SD 4.39Å; K91-M93 PolarHBondContact O-N 3.23Å
94F81.6Confident84.3Confident7 Ų733.6 Ų33.63%0.03116%0.163CC..SBendtrans-145.6148.8177.8-66.1-81.1000109.7W49 L53 R58 L62 A88 T92 I99W49-F94 HydrophobicContact CE3-CE2 4.06Å; W49-F94 AromaticContact CZ3-CE2 3.88Å; W49-F94 HydrophobicContact CZ3-CE2 3.88Å; W49-F94 HydrophobicContact CZ3-CZ 4.15Å; L53-F94 HydrophobicContact CD1-CE2 4.21Å; R58-F94 HydrophobicContact CB-CE1 4.15Å; L62-F94 HydrophobicContact CD1-CD1 4.14Å; L62-F94 HydrophobicContact CD1-CE1 3.64Å; L62-F94 HydrophobicContact CD1-CZ 4.08Å; L62-F94 HydrophobicContact CD2-CZ 4.25Å; L62-F94 HydrophobicContact CG-CE1 4.17Å; L62-F94 HydrophobicContact CG-CZ 4.14Å; A88-F94 HydrophobicContact CB-CD2 4.08Å; A88-F94 HydrophobicContact CB-CE2 4.45Å; T92-F94 VanDerWaalsContact C-N 3.31Å; F94-I99 HydrophobicContact CB-CD1 3.28Å; F94-I99 HydrophobicContact CB-CG1 3.85Å; F94-I99 HydrophobicContact CD1-CG1 4.48Å; F94-I99 HydrophobicContact CD2-CD1 3.94Å; F94-I99 HydrophobicContact CG-CD1 3.71Å; F94-I99 HydrophobicContact CG-CG1 4.13Å
95A84.5Confident84.4Confident30 Ų3035.9 Ų35.925%0.24818%0.179CC..  trans-82.6148.5171.900000111.7R97 E98 I99A95-R97 PolarHBondContact O-N 2.81Å; A95-R97 VanDerWaalsContact O-N 3.15Å; A95-E98 HydrophobicContact CB-CG 4.04Å; A95-E98 PolarHBondContact N-OE2 3.46Å; A95-E98 PolarHBondContact O-N 3.28Å; A95-I99 PolarHBondContact O-N 3.22Å
96P86.6Confident84.4Confident2 Ų236.4 Ų36.41%0.01318%0.183CC..Hα-helixtrans-52.3-38.6177.3-28.434.6000113.6I89 A100 L127 F130 L131 F1958 Y1963I89-P96 HydrophobicContact CG2-CG 4Å; P96-A100 WeakPolarHBondContact O-CB 3.34Å; P96-A100 PolarHBondContact O-N 3.23Å; P96-L127 HydrophobicContact CB-CD2 4.42Å; P96-F130 HydrophobicContact CB-CB 4.13Å; P96-F130 HydrophobicContact CG-CB 4.1Å; P96-L131 HydrophobicContact CB-CD2 4.21Å; P96-F1958 VanDerWaalsContact CD-CZ 3.47Å; P96-F1958 HydrophobicContact CG-CD1 4.44Å; P96-F1958 HydrophobicContact CG-CD2 3.78Å; P96-F1958 HydrophobicContact CG-CE1 4.47Å; P96-F1958 HydrophobicContact CG-CE2 3.81Å; P96-F1958 HydrophobicContact CG-CG 4.11Å; P96-F1958 HydrophobicContact CG-CZ 4.17Å; P96-Y1963 HydrophobicContact CG-CD2 4.43Å
97R87.8Confident84.2Confident143 Ų14344 Ų4454%0.5422%0.218SC..Hα-helixtrans-65.1-41.3177.5-174.5-178177.6-165.6-1.5113.1A95 A100 H101 L131 S135A95-R97 PolarHBondContact O-N 2.81Å; A95-R97 VanDerWaalsContact O-N 3.15Å; R97-A100 PolarHBondContact O-N 3.37Å; R97-H101 WeakPolarHBondContact O-CB 3.33Å; R97-H101 PolarHBondContact O-N 3.41Å; R97-L131 VanDerWaalsContact CA-CD2 3.5Å; R97-L131 HydrophobicContact CB-CD2 3.84Å; R97-L131 HydrophobicContact CG-CD2 4.46Å; R97-S135 VanDerWaalsContact CD-OG 3.25Å; R97-S135 WeakPolarHBondContact CD-OG 3.33Å; R97-S135 PolarHBondContact NE-OG 3.15Å
98E84.9Confident84.2Confident80 Ų8045.6 Ų45.637%0.37423%0.226SC..Hα-helixtrans-66.2-43.6-178.2-65.2171.8150.800110.9F59 A95 S102F59-E98 HydrophobicContact CE1-CB 4.34Å; A95-E98 HydrophobicContact CB-CG 4.04Å; A95-E98 PolarHBondContact N-OE2 3.46Å; A95-E98 PolarHBondContact O-N 3.28Å; E98-S102 WeakPolarHBondContact O-CB 3.49Å; E98-S102 PolarHBondContact O-N 3.23Å; E98-S102 PolarHBondContact O-OG 3.3Å
99I87.3Confident84.3Confident2 Ų245.7 Ų45.71%0.0123%0.226CC..Hα-helixtrans-70.4-44.6176.1-78165.6000111L62 I85 I89 F94 A95 H101 S102 L103 L127L62-I99 HydrophobicContact CD1-CG1 4.49Å; I85-I99 HydrophobicContact CG2-CD1 3.59Å; I85-I99 HydrophobicContact CG2-CG1 4.26Å; I85-I99 HydrophobicContact CG2-CG2 4.04Å; I89-I99 HydrophobicContact CD1-CD1 3.71Å; I89-I99 HydrophobicContact CD1-CG2 4.35Å; I89-I99 HydrophobicContact CG1-CD1 3.41Å; I89-I99 VanDerWaalsContact CG1-CD1 3.41Å; F94-I99 HydrophobicContact CB-CD1 3.28Å; F94-I99 HydrophobicContact CB-CG1 3.85Å; F94-I99 HydrophobicContact CD1-CG1 4.48Å; F94-I99 HydrophobicContact CD2-CD1 3.94Å; F94-I99 HydrophobicContact CG-CD1 3.71Å; F94-I99 HydrophobicContact CG-CG1 4.13Å; A95-I99 PolarHBondContact O-N 3.22Å; I99-H101 VanDerWaalsContact C-N 3.33Å; I99-H101 PolarHBondContact O-N 2.97Å; I99-S102 PolarHBondContact O-N 2.91Å; I99-L103 HydrophobicContact CG2-CD1 3.45Å; I99-L103 VanDerWaalsContact CG2-CD1 3.45Å; I99-L103 HydrophobicContact CG2-CG 3.94Å; I99-L103 WeakPolarHBondContact O-CB 3.27Å; I99-L103 VanDerWaalsContact O-CG 3.24Å; I99-L103 WeakPolarHBondContact O-CG 3.43Å; I99-L103 PolarHBondContact O-N 2.99Å; I99-L127 HydrophobicContact CB-CD1 4.47Å; I99-L127 HydrophobicContact CG2-CD1 3.83Å
100A88.5Confident84.1Confident2 Ų251.2 Ų51.22%0.01725%0.247CC..Hα-helixtrans-56.9-47177.100000111.6P96 R97 V104 L124 L127 L131 V139P96-A100 WeakPolarHBondContact O-CB 3.34Å; P96-A100 PolarHBondContact O-N 3.23Å; R97-A100 PolarHBondContact O-N 3.37Å; A100-V104 VanDerWaalsContact O-CB 3.22Å; A100-V104 WeakPolarHBondContact O-CB 3.24Å; A100-V104 WeakPolarHBondContact O-CG2 3.46Å; A100-V104 PolarHBondContact O-N 3.06Å; A100-L124 HydrophobicContact CB-CD2 4.25Å; A100-L127 HydrophobicContact CB-CD1 4.12Å; A100-L131 HydrophobicContact CB-CD1 4.07Å; A100-L131 HydrophobicContact CB-CD2 4.49Å; A100-V139 HydrophobicContact CB-CG2 4.25Å
101H87.2Confident83.9Confident88 Ų8850.3 Ų50.341%0.40724%0.244SC..Hα-helixtrans-60-50.3174.3176.9-83.8000111.9R97 I99 L103 V104 C105 E138R97-H101 WeakPolarHBondContact O-CB 3.33Å; R97-H101 PolarHBondContact O-N 3.41Å; I99-H101 VanDerWaalsContact C-N 3.33Å; I99-H101 PolarHBondContact O-N 2.97Å; H101-L103 PolarHBondContact O-N 2.9Å; H101-V104 PolarHBondContact O-N 3.1Å; H101-C105 WeakPolarHBondContact O-CB 3.41Å; H101-C105 PolarHBondContact O-N 3.21Å; H101-C105 PolarHBondContact O-SG 3.12Å; H101-E138 IonicContact CD2-OE1 2.72Å; H101-E138 PolarHBondContact CD2-OE1 2.91Å
102S84.5Confident83.9Confident13 Ų1352.5 Ų52.59%0.09126%0.256CS..Hα-helixtrans-63.9-39.1-176.7-53.20000113E98 I99E98-S102 WeakPolarHBondContact O-CB 3.49Å; E98-S102 PolarHBondContact O-N 3.23Å; E98-S102 PolarHBondContact O-OG 3.3Å; I99-S102 PolarHBondContact O-N 2.91Å
103L87Confident84.1Confident5 Ų548.8 Ų48.83%0.02623%0.234CC..Hα-helixtrans-67.8-47.7176.9-71.1174000111.8M66 I99 H101 L109 I120 L123 L124M66-L103 HydrophobicContact CE-CD2 4.08Å; M66-L103 HydrophobicContact SD-CD2 3.77Å; I99-L103 HydrophobicContact CG2-CD1 3.45Å; I99-L103 VanDerWaalsContact CG2-CD1 3.45Å; I99-L103 HydrophobicContact CG2-CG 3.94Å; I99-L103 WeakPolarHBondContact O-CB 3.27Å; I99-L103 VanDerWaalsContact O-CG 3.24Å; I99-L103 WeakPolarHBondContact O-CG 3.43Å; I99-L103 PolarHBondContact O-N 2.99Å; H101-L103 PolarHBondContact O-N 2.9Å; L103-L109 WeakPolarHBondContact O-CD2 3.34Å; L103-I120 HydrophobicContact CB-CG2 3.92Å; L103-I120 HydrophobicContact CD1-CG2 4.34Å; L103-I120 HydrophobicContact CD2-CD1 4.3Å; L103-I120 HydrophobicContact CD2-CG1 4.29Å; L103-I120 HydrophobicContact CD2-CG2 4.28Å; L103-I120 HydrophobicContact CG-CG2 4.41Å; L103-L123 HydrophobicContact CD1-CD2 3.87Å; L103-L123 HydrophobicContact CD1-CG 4.4Å; L103-L124 HydrophobicContact CB-CD2 4.43Å; L103-L124 HydrophobicContact CD1-CD2 4.29Å
104V85Confident84.2Confident5 Ų549 Ų493%0.0324%0.239CC..Hα-helixtrans-75.2-38-172.7171.10000112.1A100 H101 S106 L124 K142A100-V104 VanDerWaalsContact O-CB 3.22Å; A100-V104 WeakPolarHBondContact O-CB 3.24Å; A100-V104 WeakPolarHBondContact O-CG2 3.46Å; A100-V104 PolarHBondContact O-N 3.06Å; H101-V104 PolarHBondContact O-N 3.1Å; V104-S106 VanDerWaalsContact C-N 3.28Å; V104-S106 PolarHBondContact O-N 3.47Å; V104-L124 HydrophobicContact CG2-CD1 3.45Å; V104-L124 VanDerWaalsContact CG2-CD1 3.45Å; V104-L124 HydrophobicContact CG2-CD2 3.65Å; V104-L124 HydrophobicContact CG2-CG 4.22Å; V104-K142 HydrophobicContact CG1-CB 3.16Å; V104-K142 HydrophobicContact CG1-CG 3.94Å
105C84.6Confident84.3Confident50 Ų5050.4 Ų50.434%0.33825%0.246SC..THydrogen-bonded Turntrans-80.2-2.6178.9-660000113.8H101 E107H101-C105 WeakPolarHBondContact O-CB 3.41Å; H101-C105 PolarHBondContact O-N 3.21Å; H101-C105 PolarHBondContact O-SG 3.12Å; C105-E107 PolarHBondContact O-N 2.85Å
106S84.2Confident84.5Confident11 Ų1149.2 Ų49.28%0.07724%0.236CC..  trans-63130.3-179.7-169.60000112.5V104 H108 L109 K146V104-S106 VanDerWaalsContact C-N 3.28Å; V104-S106 PolarHBondContact O-N 3.47Å; S106-H108 PolarHBondContact O-N 3.47Å; S106-H108 PolarHBondContact OG-N 2.85Å; S106-L109 PolarHBondContact O-N 2.78Å; S106-K146 PolarHBondContact O-NZ 3.03Å
107E82Confident84.5Confident161 Ų16149.1 Ų49.175%0.75224%0.235SC*.THydrogen-bonded Turntrans-66.6-25.6174.2-63.5-171.2175.300112.8C105 L109 R110C105-E107 PolarHBondContact O-N 2.85Å; E107-L109 VanDerWaalsContact C-N 3.35Å; E107-R110 PolarHBondContact O-NE 2.74Å
108H81.8Confident84.4Confident76 Ų7643.9 Ų43.935%0.35222%0.215SC..THydrogen-bonded Turntrans-79.4-15.7178.1-62.6-52.6000113.2S67 A70 S106 R110 S113S67-H108 VanDerWaalsContact CA-CD2 3.4Å; S67-H108 WeakPolarHBondContact CA-CD2 3.47Å; S67-H108 WeakPolarHBondContact CB-NE2 3.25Å; S67-H108 PolarHBondContact OG-CE1 2.87Å; S67-H108 PolarHBondContact OG-NE2 2.93Å; A70-H108 HydrophobicContact CB-CB 4.11Å; S106-H108 PolarHBondContact O-N 3.47Å; S106-H108 PolarHBondContact OG-N 2.85Å; H108-R110 VanDerWaalsContact C-N 3.32Å; H108-R110 PolarHBondContact O-N 2.89Å; H108-S113 PolarHBondContact O-OG 3.4Å
109L85.2Confident84.5Confident1 Ų140.1 Ų40.11%0.00520%0.198CC..  trans-7487.2172.9177.649.1000109.6L103 S106 E107 F117 I120 F121 K146L103-L109 WeakPolarHBondContact O-CD2 3.34Å; S106-L109 PolarHBondContact O-N 2.78Å; E107-L109 VanDerWaalsContact C-N 3.35Å; L109-F117 HydrophobicContact CD1-CB 4.14Å; L109-F117 HydrophobicContact CD1-CD2 3.49Å; L109-F117 VanDerWaalsContact CD1-CD2 3.49Å; L109-F117 HydrophobicContact CD1-CE2 4.14Å; L109-F117 HydrophobicContact CD1-CG 4.04Å; L109-F117 HydrophobicContact CG-CD2 4.36Å; L109-I120 HydrophobicContact CD1-CD1 4.04Å; L109-I120 HydrophobicContact CD2-CD1 4.25Å; L109-I120 HydrophobicContact CD2-CG2 4.14Å; L109-I120 HydrophobicContact CG-CD1 4.49Å; L109-F121 HydrophobicContact CD1-CE2 4.31Å; L109-F121 HydrophobicContact CD2-CE2 4.2Å; L109-K146 WeakPolarHBondContact O-CE 3.31Å; L109-K146 PolarHBondContact O-NZ 3.32Å
110R82.4Confident84.7Confident117 Ų11740 Ų4044%0.44220%0.197SC..  trans-127.1151177.6-59-173.9-178.4-165.6-3.3111.1E107 H108 E112 S113E107-R110 PolarHBondContact O-NE 2.74Å; H108-R110 VanDerWaalsContact C-N 3.32Å; H108-R110 PolarHBondContact O-N 2.89Å; R110-E112 HydrophobicContact CB-CB 4.23Å; R110-E112 HydrophobicContact CB-CG 4.45Å; R110-E112 WeakPolarHBondContact CD-OE2 3.48Å; R110-E112 IonicContact CZ-OE2 3.44Å; R110-E112 IonicContact NE-OE2 3.7Å; R110-E112 IonicContact NH1-OE2 3.78Å; R110-E112 PolarHBondContact NH1-OE2 3.17Å; R110-E112 PolarHBondContact O-N 3.42Å; R110-S113 PolarHBondContact O-N 3.04Å; R110-S113 PolarHBondContact O-OG 3.44Å
111V80.2Confident84.7Confident12 Ų1240 Ų407%0.07320%0.197CC..THydrogen-bonded Turntrans-64.9-23.8176.3-173.50000111.8S113 F117 Q149 F150 M154 I164V111-S113 PolarHBondContact O-N 2.69Å; V111-S113 VanDerWaalsContact O-N 3.11Å; V111-F117 HydrophobicContact CG2-CD2 3.87Å; V111-F117 HydrophobicContact CG2-CE2 3.57Å; V111-F117 HydrophobicContact CG2-CG 4.49Å; V111-F117 HydrophobicContact CG2-CZ 3.95Å; V111-Q149 HydrophobicContact CB-CB 4.14Å; V111-Q149 HydrophobicContact CG2-CB 3.52Å; V111-F150 HydrophobicContact CG2-CD1 3.77Å; V111-F150 HydrophobicContact CG2-CE1 3.72Å; V111-M154 HydrophobicContact CB-CE 4.43Å; V111-M154 HydrophobicContact CG1-CE 3.48Å; V111-M154 VanDerWaalsContact CG1-CE 3.48Å; V111-M154 HydrophobicContact CG1-SD 3.69Å; V111-I164 HydrophobicContact CG1-CG2 4.35Å
112E80Confident84.8Confident151 Ų15136.4 Ų36.471%0.70618%0.18SC*.THydrogen-bonded Turntrans-55-22.3168.2-57.4177136.900113.5R110 P114R110-E112 HydrophobicContact CB-CB 4.23Å; R110-E112 HydrophobicContact CB-CG 4.45Å; R110-E112 WeakPolarHBondContact CD-OE2 3.48Å; R110-E112 IonicContact CZ-OE2 3.44Å; R110-E112 IonicContact NE-OE2 3.7Å; R110-E112 IonicContact NH1-OE2 3.78Å; R110-E112 PolarHBondContact NH1-OE2 3.17Å; R110-E112 PolarHBondContact O-N 3.42Å; E112-P114 VanDerWaalsContact C-CD 3.43Å; E112-P114 WeakPolarHBondContact O-CD 3.33Å
113S82.9Confident85Confident20 Ų2035.8 Ų35.814%0.1418%0.176CC..SBendtrans-108.571.617661.40000110.6H108 R110 V111 I115 L116 F117H108-S113 PolarHBondContact O-OG 3.4Å; R110-S113 PolarHBondContact O-N 3.04Å; R110-S113 PolarHBondContact O-OG 3.44Å; V111-S113 PolarHBondContact O-N 2.69Å; V111-S113 VanDerWaalsContact O-N 3.11Å; S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact O-N 3.34Å; S113-L116 PolarHBondContact O-N 3.18Å; S113-L116 VanDerWaalsContact O-N 3.11Å; S113-F117 WeakPolarHBondContact O-CB 3.37Å; S113-F117 PolarHBondContact O-N 3.42Å
114P81.1Confident85.2Confident53 Ų5335.7 Ų35.734%0.34418%0.175SC..Hα-helixtrans-60.2-38-163.321.9-34.9000113.6E112 R118 T163E112-P114 VanDerWaalsContact C-CD 3.43Å; E112-P114 WeakPolarHBondContact O-CD 3.33Å; P114-R118 WeakPolarHBondContact O-CB 3.42Å; P114-R118 PolarHBondContact O-N 3.06Å; P114-R118 VanDerWaalsContact O-N 3.12Å; P114-T163 VanDerWaalsContact CA-CG2 3.46Å; P114-T163 HydrophobicContact CB-CG2 3.53Å; P114-T163 WeakPolarHBondContact CB-OG1 3.44Å; P114-T163 WeakPolarHBondContact O-CG2 3.42Å
115I83.7Confident85.4Confident37 Ų3735.5 Ų35.519%0.1917%0.174CC..Hα-helixtrans-65.7-51.2178-63.4174000110.2K73 E75 V78 S113 F117 R118 C119K73-I115 WeakPolarHBondContact O-CD1 3.49Å; E75-I115 HydrophobicContact CB-CG2 3.92Å; E75-I115 HydrophobicContact CG-CG2 4.35Å; V78-I115 HydrophobicContact CB-CG2 4.07Å; V78-I115 HydrophobicContact CG1-CG2 4.42Å; V78-I115 HydrophobicContact CG2-CG2 3.83Å; S113-I115 VanDerWaalsContact C-N 3.3Å; S113-I115 PolarHBondContact O-N 3.34Å; I115-F117 VanDerWaalsContact C-N 3.34Å; I115-F117 PolarHBondContact O-N 2.92Å; I115-R118 PolarHBondContact O-N 3Å; I115-C119 WeakPolarHBondContact O-CB 3.13Å; I115-C119 PolarHBondContact O-N 3.38Å; I115-C119 VanDerWaalsContact O-N 3.1Å; I115-C119 PolarHBondContact O-SG 2.99Å
116L86.9Confident85.6Confident4 Ų434.5 Ų34.52%0.02116%0.164CC..Hα-helixtrans-58.7-47.1179.6-178.858.9000111.6M66 L69 A70 V78 S113 C119 I120M66-L116 HydrophobicContact CE-CD1 3.96Å; M66-L116 HydrophobicContact CE-CD2 4.43Å; L69-L116 HydrophobicContact CB-CD1 3.74Å; L69-L116 HydrophobicContact CD1-CD1 4.32Å; A70-L116 HydrophobicContact CB-CD2 3.77Å; V78-L116 HydrophobicContact CG1-CD1 4.46Å; S113-L116 PolarHBondContact O-N 3.18Å; S113-L116 VanDerWaalsContact O-N 3.11Å; L116-C119 PolarHBondContact O-N 2.66Å; L116-I120 HydrophobicContact CD1-CD1 3.73Å; L116-I120 HydrophobicContact CD1-CG1 3.96Å; L116-I120 HydrophobicContact CG-CD1 3.92Å; L116-I120 HydrophobicContact CG-CG1 4.46Å; L116-I120 WeakPolarHBondContact O-CG1 3.35Å; L116-I120 PolarHBondContact O-N 3.2Å
117F88Confident85.9Confident1 Ų134 Ų340%0.00416%0.16CC..Hα-helixtrans-55.9-56.8-179.4-167.2-83.2000111.3L109 V111 S113 I115 C119 I120 F121 K146 F150 T163 I164L109-F117 HydrophobicContact CD1-CB 4.14Å; L109-F117 HydrophobicContact CD1-CD2 3.49Å; L109-F117 VanDerWaalsContact CD1-CD2 3.49Å; L109-F117 HydrophobicContact CD1-CE2 4.14Å; L109-F117 HydrophobicContact CD1-CG 4.04Å; L109-F117 HydrophobicContact CG-CD2 4.36Å; V111-F117 HydrophobicContact CG2-CD2 3.87Å; V111-F117 HydrophobicContact CG2-CE2 3.57Å; V111-F117 HydrophobicContact CG2-CG 4.49Å; V111-F117 HydrophobicContact CG2-CZ 3.95Å; S113-F117 WeakPolarHBondContact O-CB 3.37Å; S113-F117 PolarHBondContact O-N 3.42Å; I115-F117 VanDerWaalsContact C-N 3.34Å; I115-F117 PolarHBondContact O-N 2.92Å; F117-C119 VanDerWaalsContact C-N 3.33Å; F117-C119 PolarHBondContact O-N 3.01Å; F117-I120 PolarHBondContact O-N 2.87Å; F117-F121 AromaticContact CD1-CD2 3.96Å; F117-F121 HydrophobicContact CD1-CD2 3.96Å; F117-F121 HydrophobicContact CD1-CE2 4.16Å; F117-F121 HydrophobicContact CD2-CE2 4.2Å; F117-F121 AromaticContact CE1-CD2 3.7Å; F117-F121 HydrophobicContact CE1-CD2 3.7Å; F117-F121 AromaticContact CE1-CE2 3.63Å; F117-F121 HydrophobicContact CE1-CE2 3.63Å; F117-F121 HydrophobicContact CE2-CD2 4.41Å; F117-F121 AromaticContact CE2-CE2 3.67Å; F117-F121 HydrophobicContact CE2-CE2 3.67Å; F117-F121 HydrophobicContact CG-CD2 4.4Å; F117-F121 HydrophobicContact CG-CE2 4.41Å; F117-F121 AromaticContact CZ-CD2 3.93Å; F117-F121 HydrophobicContact CZ-CD2 3.93Å; F117-F121 AromaticContact CZ-CE2 3.34Å; F117-F121 HydrophobicContact CZ-CE2 3.34Å; F117-F121 HydrophobicContact CZ-CZ 4.11Å; F117-F121 WeakPolarHBondContact O-CD2 3.29Å; F117-F121 PolarHBondContact O-N 3.1Å; F117-K146 HydrophobicContact CE2-CB 4.46Å; F117-F150 AromaticContact CE1-CE1 3.76Å; F117-F150 HydrophobicContact CE1-CE1 3.76Å; F117-F150 HydrophobicContact CE1-CZ 4.02Å; F117-F150 HydrophobicContact CE2-CE1 4.36Å; F117-F150 AromaticContact CZ-CE1 3.47Å; F117-F150 HydrophobicContact CZ-CE1 3.47Å; F117-F150 VanDerWaalsContact CZ-CE1 3.47Å; F117-F150 AromaticContact CZ-CZ 3.75Å; F117-F150 HydrophobicContact CZ-CZ 3.75Å; F117-T163 HydrophobicContact CB-CG2 4.49Å; F117-T163 HydrophobicContact CD1-CG2 4.47Å; F117-I164 HydrophobicContact CE1-CG2 4.27Å
118R86Confident86.3Confident33 Ų3326.4 Ų26.413%0.12513%0.125CC..Hα-helixtrans-54.8-46.9179.1-176.3170.849.9144.9-10.5112.5E75 P114 I115 K122 Y162 T163 P166 C1972E75-R118 VanDerWaalsContact CD-NH1 3.31Å; E75-R118 IonicContact OE1-CZ 3.97Å; E75-R118 IonicContact OE1-NE 3.61Å; E75-R118 IonicContact OE1-NH1 2.74Å; E75-R118 PolarHBondContact OE1-NH1 3.37Å; E75-R118 IonicContact OE1-NH2 2.77Å; E75-R118 PolarHBondContact OE1-NH2 2.89Å; E75-R118 IonicContact OE2-CZ 2.91Å; E75-R118 VanDerWaalsContact OE2-CZ 3.27Å; E75-R118 IonicContact OE2-NH1 3.9Å; E75-R118 PolarHBondContact OE2-NH1 3Å; E75-R118 VanDerWaalsContact OE2-NH1 3.14Å; E75-R118 IonicContact OE2-NH2 3.76Å; E75-R118 PolarHBondContact OE2-NH2 3.48Å; P114-R118 WeakPolarHBondContact O-CB 3.42Å; P114-R118 PolarHBondContact O-N 3.06Å; P114-R118 VanDerWaalsContact O-N 3.12Å; I115-R118 PolarHBondContact O-N 3Å; R118-K122 PolarHBondContact O-N 3.27Å; R118-Y162 WeakPolarHBondContact CD-O 3.49Å; R118-T163 WeakPolarHBondContact CA-O 3.46Å; R118-T163 WeakPolarHBondContact CB-O 3.32Å; R118-P166 HydrophobicContact CG-CG 3.99Å; R118-C1972 PolarHBondContact NH1-O 2.7Å
119C87Confident86.6Confident0 Ų024.4 Ų24.40%012%0.115CC..Hα-helixtrans-68.1-41.8-174.2-64.30000112.2V78 M79 L82 I115 L116 F117 K122V78-C119 HydrophobicContact CG1-CB 3.49Å; V78-C119 VanDerWaalsContact CG1-CB 3.49Å; M79-C119 HydrophobicContact SD-CB 3.59Å; M79-C119 VanDerWaalsContact SD-CB 3.59Å; M79-C119 PolarHBondContact SD-SG 3.18Å; L82-C119 HydrophobicContact CD1-CB 3.54Å; L82-C119 WeakPolarHBondContact CD1-O 3.49Å; I115-C119 WeakPolarHBondContact O-CB 3.13Å; I115-C119 PolarHBondContact O-N 3.38Å; I115-C119 VanDerWaalsContact O-N 3.1Å; I115-C119 PolarHBondContact O-SG 2.99Å; L116-C119 PolarHBondContact O-N 2.66Å; F117-C119 VanDerWaalsContact C-N 3.33Å; F117-C119 PolarHBondContact O-N 3.01Å; C119-K122 WeakPolarHBondContact O-CB 3.15Å; C119-K122 PolarHBondContact O-N 3.08Å
120I90Very high86.8Confident0 Ų025.9 Ų25.90%012%0.121CC..Hα-helixtrans-63.3-45.9178.9-69.4178.1000111.6M66 L82 L103 L109 L116 F117 K122 L123 L124M66-I120 HydrophobicContact CE-CD1 3.22Å; M66-I120 HydrophobicContact CE-CG1 4.13Å; L82-I120 HydrophobicContact CD1-CG1 4.37Å; L103-I120 HydrophobicContact CB-CG2 3.92Å; L103-I120 HydrophobicContact CD1-CG2 4.34Å; L103-I120 HydrophobicContact CD2-CD1 4.3Å; L103-I120 HydrophobicContact CD2-CG1 4.29Å; L103-I120 HydrophobicContact CD2-CG2 4.28Å; L103-I120 HydrophobicContact CG-CG2 4.41Å; L109-I120 HydrophobicContact CD1-CD1 4.04Å; L109-I120 HydrophobicContact CD2-CD1 4.25Å; L109-I120 HydrophobicContact CD2-CG2 4.14Å; L109-I120 HydrophobicContact CG-CD1 4.49Å; L116-I120 HydrophobicContact CD1-CD1 3.73Å; L116-I120 HydrophobicContact CD1-CG1 3.96Å; L116-I120 HydrophobicContact CG-CD1 3.92Å; L116-I120 HydrophobicContact CG-CG1 4.46Å; L116-I120 WeakPolarHBondContact O-CG1 3.35Å; L116-I120 PolarHBondContact O-N 3.2Å; F117-I120 PolarHBondContact O-N 2.87Å; I120-K122 PolarHBondContact O-N 3.14Å; I120-L123 WeakPolarHBondContact O-CB 3.48Å; I120-L123 PolarHBondContact O-N 3.45Å; I120-L124 HydrophobicContact CG2-CD1 3.86Å; I120-L124 HydrophobicContact CG2-CG 4.19Å; I120-L124 PolarHBondContact O-N 3.11Å
121F89.9Confident87.1Confident2 Ų220.8 Ų20.81%0.00910%0.103CC..Hα-helixtrans-64.4-28.4-178.1-82.9-80.4000112.6L109 F117 L123 L124 L125 P166 S167 L170L109-F121 HydrophobicContact CD1-CE2 4.31Å; L109-F121 HydrophobicContact CD2-CE2 4.2Å; F117-F121 AromaticContact CD1-CD2 3.96Å; F117-F121 HydrophobicContact CD1-CD2 3.96Å; F117-F121 HydrophobicContact CD1-CE2 4.16Å; F117-F121 HydrophobicContact CD2-CE2 4.2Å; F117-F121 AromaticContact CE1-CD2 3.7Å; F117-F121 HydrophobicContact CE1-CD2 3.7Å; F117-F121 AromaticContact CE1-CE2 3.63Å; F117-F121 HydrophobicContact CE1-CE2 3.63Å; F117-F121 HydrophobicContact CE2-CD2 4.41Å; F117-F121 AromaticContact CE2-CE2 3.67Å; F117-F121 HydrophobicContact CE2-CE2 3.67Å; F117-F121 HydrophobicContact CG-CD2 4.4Å; F117-F121 HydrophobicContact CG-CE2 4.41Å; F117-F121 AromaticContact CZ-CD2 3.93Å; F117-F121 HydrophobicContact CZ-CD2 3.93Å; F117-F121 AromaticContact CZ-CE2 3.34Å; F117-F121 HydrophobicContact CZ-CE2 3.34Å; F117-F121 HydrophobicContact CZ-CZ 4.11Å; F117-F121 WeakPolarHBondContact O-CD2 3.29Å; F117-F121 PolarHBondContact O-N 3.1Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.34Å; F121-L124 HydrophobicContact CD1-CD1 3.89Å; F121-L124 HydrophobicContact CE1-CD1 4.07Å; F121-L124 HydrophobicContact CG-CD1 4.37Å; F121-L124 PolarHBondContact O-N 3.32Å; F121-L125 WeakPolarHBondContact O-CG 3.4Å; F121-L125 PolarHBondContact O-N 3.28Å; F121-L125 VanDerWaalsContact O-N 3.1Å; F121-P166 HydrophobicContact CB-CB 3.8Å; F121-S167 VanDerWaalsContact CD1-CA 3.47Å; F121-S167 VanDerWaalsContact CD1-CB 3.47Å; F121-S167 VanDerWaalsContact CG-CB 3.47Å; F121-L170 HydrophobicContact CD1-CB 4.36Å; F121-L170 HydrophobicContact CD1-CD2 3.78Å; F121-L170 HydrophobicContact CE1-CD2 3.79Å
122K88.4Confident87.5Confident13 Ų1322.1 Ų22.16%0.05711%0.11CC..Hα-helixtrans-61.1-35.8168.8-73.5-173.7166.7-1720113.7M79 R118 C119 I120 P166 G1974 D1975 F1976M79-K122 HydrophobicContact CE-CD 3.97Å; R118-K122 PolarHBondContact O-N 3.27Å; C119-K122 WeakPolarHBondContact O-CB 3.15Å; C119-K122 PolarHBondContact O-N 3.08Å; I120-K122 PolarHBondContact O-N 3.14Å; K122-P166 HydrophobicContact CD-CG 4.42Å; K122-P166 HydrophobicContact CG-CB 3.76Å; K122-P166 HydrophobicContact CG-CG 3.68Å; K122-G1974 PolarHBondContact NZ-O 3.07Å; K122-D1975 VanDerWaalsContact CE-OD1 3.28Å; K122-D1975 WeakPolarHBondContact CE-OD1 3.44Å; K122-D1975 IonicContact NZ-OD1 3.59Å; K122-F1976 HydrophobicContact CB-CD2 3.85Å; K122-F1976 HydrophobicContact CB-CE2 4.02Å
123L88.9Confident87.8Confident0 Ų017.5 Ų17.50%09%0.086CC..Hα-helixtrans-75.2-41.2175.4-178.757.4000111.2L82 I85 D86 L103 I120 F121 L125 K126 L127 F1976L82-L123 HydrophobicContact CD2-CD2 4.43Å; I85-L123 HydrophobicContact CB-CD2 4.44Å; I85-L123 HydrophobicContact CG2-CD2 4.19Å; D86-L123 HydrophobicContact CB-CD1 4.05Å; L103-L123 HydrophobicContact CD1-CD2 3.87Å; L103-L123 HydrophobicContact CD1-CG 4.4Å; I120-L123 WeakPolarHBondContact O-CB 3.48Å; I120-L123 PolarHBondContact O-N 3.45Å; F121-L123 VanDerWaalsContact C-N 3.32Å; F121-L123 PolarHBondContact O-N 3.34Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.39Å; L123-K126 WeakPolarHBondContact O-CB 3.37Å; L123-K126 PolarHBondContact O-N 2.95Å; L123-L127 PolarHBondContact O-N 3.48Å; L123-F1976 HydrophobicContact CB-CD2 4.24Å; L123-F1976 HydrophobicContact CB-CE2 4.25Å
124L90.9Very high88.1Confident2 Ų222.6 Ų22.61%0.0111%0.106CC..Hα-helixtrans-60-35.2178.3-67.5170.9000113A100 L103 V104 I120 F121 K126 L127 I128 L170A100-L124 HydrophobicContact CB-CD2 4.25Å; L103-L124 HydrophobicContact CB-CD2 4.43Å; L103-L124 HydrophobicContact CD1-CD2 4.29Å; V104-L124 HydrophobicContact CG2-CD1 3.45Å; V104-L124 VanDerWaalsContact CG2-CD1 3.45Å; V104-L124 HydrophobicContact CG2-CD2 3.65Å; V104-L124 HydrophobicContact CG2-CG 4.22Å; I120-L124 HydrophobicContact CG2-CD1 3.86Å; I120-L124 HydrophobicContact CG2-CG 4.19Å; I120-L124 PolarHBondContact O-N 3.11Å; F121-L124 HydrophobicContact CD1-CD1 3.89Å; F121-L124 HydrophobicContact CE1-CD1 4.07Å; F121-L124 HydrophobicContact CG-CD1 4.37Å; F121-L124 PolarHBondContact O-N 3.32Å; L124-K126 PolarHBondContact O-N 3.03Å; L124-L127 HydrophobicContact CD2-CD1 4.42Å; L124-L127 PolarHBondContact O-N 3.2Å; L124-I128 PolarHBondContact O-N 3.32Å; L124-L170 VanDerWaalsContact C-CD1 3.48Å; L124-L170 HydrophobicContact CB-CD1 3.79Å; L124-L170 HydrophobicContact CB-CD2 4.21Å; L124-L170 HydrophobicContact CD1-CD2 4.43Å
125L88.8Confident88.4Confident1 Ų120.2 Ų20.21%0.0059%0.09CC..Hα-helixtrans-55.9-21.3174.3-84.3166.4000114.5F121 L123 P166 E169 L170 L173F121-L125 WeakPolarHBondContact O-CG 3.4Å; F121-L125 PolarHBondContact O-N 3.28Å; F121-L125 VanDerWaalsContact O-N 3.1Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.39Å; L125-P166 HydrophobicContact CD1-CB 4.02Å; L125-P166 WeakPolarHBondContact CD1-O 3.27Å; L125-E169 HydrophobicContact CD1-CB 4.22Å; L125-E169 HydrophobicContact CD2-CB 3.94Å; L125-E169 HydrophobicContact CD2-CG 3.9Å; L125-L170 HydrophobicContact CD2-CB 4.16Å; L125-L170 HydrophobicContact CD2-CD1 4.28Å; L125-L170 HydrophobicContact CG-CB 4.38Å; L125-L170 HydrophobicContact CG-CD1 4.26Å; L125-L173 HydrophobicContact CD2-CD1 3.69Å
126K88.4Confident88.8Confident29 Ų2918.5 Ų18.513%0.1268%0.082CC..Hα-helixtrans-91.1-39.7173.9-176.3175.4-178.9171.20112.3D86 L123 L124 F130 R1964 F1976D86-K126 VanDerWaalsContact OD1-CE 3.29Å; D86-K126 WeakPolarHBondContact OD1-CE 3.35Å; D86-K126 IonicContact OD1-NZ 2.81Å; D86-K126 PolarHBondContact OD1-NZ 3.3Å; D86-K126 IonicContact OD2-NZ 3.7Å; D86-K126 PolarHBondContact OD2-NZ 3.12Å; L123-K126 WeakPolarHBondContact O-CB 3.37Å; L123-K126 PolarHBondContact O-N 2.95Å; L124-K126 PolarHBondContact O-N 3.03Å; K126-F130 WeakPolarHBondContact O-CD2 3.39Å; K126-R1964 WeakPolarHBondContact CE-O 3.32Å; K126-R1964 PolarHBondContact NZ-O 2.92Å; K126-F1976 HydrophobicContact CD-CB 4.19Å
127L90.4Very high88.9Confident1 Ų121.3 Ų21.31%0.0059%0.092CC..Hα-helixtrans-69.8-35.2-171.8-58.4-172.8000113.8I89 P96 I99 A100 L123 L124 F129 F130 Y1963I89-L127 HydrophobicContact CD1-CD2 3.6Å; P96-L127 HydrophobicContact CB-CD2 4.42Å; I99-L127 HydrophobicContact CB-CD1 4.47Å; I99-L127 HydrophobicContact CG2-CD1 3.83Å; A100-L127 HydrophobicContact CB-CD1 4.12Å; L123-L127 PolarHBondContact O-N 3.48Å; L124-L127 HydrophobicContact CD2-CD1 4.42Å; L124-L127 PolarHBondContact O-N 3.2Å; L127-F129 PolarHBondContact O-N 3.36Å; L127-F130 PolarHBondContact O-N 2.57Å; L127-Y1963 HydrophobicContact CD2-CE2 3.93Å; L127-Y1963 WeakPolarHBondContact CD2-OH 3.38Å
128I90.6Very high89Confident1 Ų124.9 Ų24.91%0.00511%0.109CC..G310 helixtrans-53.6-27.1-174.653.1167.2000115.3L124 F130 N136 V139 L170 L173 L174 L181L124-I128 PolarHBondContact O-N 3.32Å; I128-F130 PolarHBondContact O-N 3.21Å; I128-N136 PolarHBondContact O-ND2 2.85Å; I128-N136 PolarHBondContact O-OD1 3.4Å; I128-V139 HydrophobicContact CG2-CG1 4.3Å; I128-L170 HydrophobicContact CD1-CD1 4.24Å; I128-L170 HydrophobicContact CG2-CD1 3.7Å; I128-L173 HydrophobicContact CD1-CB 3.63Å; I128-L173 HydrophobicContact CD1-CD1 3.85Å; I128-L173 HydrophobicContact CD1-CG 4.4Å; I128-L174 HydrophobicContact CG2-CD2 4.21Å; I128-L181 HydrophobicContact CB-CD1 4.27Å; I128-L181 HydrophobicContact CD1-CD1 4.17Å; I128-L181 HydrophobicContact CG1-CD1 4.46Å
129F88.3Confident89.2Confident35 Ų3523.6 Ų23.615%0.15410%0.104CC..G310 helixtrans-75.7-10.1178.9-65.6-73.9000114L127 L173 I179 L181 R1961L127-F129 PolarHBondContact O-N 3.36Å; F129-L173 HydrophobicContact CE2-CD1 4.4Å; F129-L173 HydrophobicContact CZ-CD1 4.28Å; F129-L173 HydrophobicContact CZ-CD2 4.45Å; F129-I179 HydrophobicContact CD1-CG2 4.38Å; F129-I179 HydrophobicContact CE1-CD1 4.2Å; F129-I179 HydrophobicContact CE1-CG2 3.87Å; F129-I179 HydrophobicContact CZ-CD1 4.46Å; F129-L181 HydrophobicContact CD1-CD2 4.24Å; F129-R1961 VanDerWaalsContact O-CD 3.31Å; F129-R1961 WeakPolarHBondContact O-CD 3.25Å; F129-R1961 PolarHBondContact O-NE 2.8Å
130F89.4Confident89.4Confident31 Ų3123.6 Ų23.614%0.13610%0.104CC..G310 helixtrans-116.819.1-176.9-57.5-82.1000112.3P96 K126 L127 I128 F1958 R1961 V1962 Y1963P96-F130 HydrophobicContact CB-CB 4.13Å; P96-F130 HydrophobicContact CG-CB 4.1Å; K126-F130 WeakPolarHBondContact O-CD2 3.39Å; L127-F130 PolarHBondContact O-N 2.57Å; I128-F130 PolarHBondContact O-N 3.21Å; F130-F1958 HydrophobicContact CB-CB 4Å; F130-F1958 HydrophobicContact CD1-CB 4.15Å; F130-R1961 HydrophobicContact CD1-CB 3.97Å; F130-R1961 HydrophobicContact CE1-CB 3.63Å; F130-V1962 WeakPolarHBondContact CE1-O 3.32Å; F130-Y1963 HydrophobicContact CD1-CD2 4.15Å; F130-Y1963 AromaticContact CD2-CD2 3.68Å; F130-Y1963 HydrophobicContact CD2-CD2 3.68Å; F130-Y1963 AromaticContact CD2-CE2 3.95Å; F130-Y1963 HydrophobicContact CD2-CE2 3.95Å; F130-Y1963 HydrophobicContact CE1-CD2 4.09Å; F130-Y1963 AromaticContact CE2-CD2 3.63Å; F130-Y1963 HydrophobicContact CE2-CD2 3.63Å; F130-Y1963 AromaticContact CE2-CE2 3.99Å; F130-Y1963 HydrophobicContact CE2-CE2 3.99Å; F130-Y1963 AromaticContact CG-CD2 3.94Å; F130-Y1963 HydrophobicContact CG-CD2 3.94Å; F130-Y1963 AromaticContact CZ-CD2 3.83Å; F130-Y1963 HydrophobicContact CZ-CD2 3.83Å; F130-Y1963 HydrophobicContact CZ-CG 4.45Å
131L89.5Confident89.3Confident10 Ų1025.3 Ų25.35%0.05211%0.114CC..SBendtrans-116.8142.5-179.1-60.1-176.9000111P96 R97 A100 N136 V139P96-L131 HydrophobicContact CB-CD2 4.21Å; R97-L131 VanDerWaalsContact CA-CD2 3.5Å; R97-L131 HydrophobicContact CB-CD2 3.84Å; R97-L131 HydrophobicContact CG-CD2 4.46Å; A100-L131 HydrophobicContact CB-CD1 4.07Å; A100-L131 HydrophobicContact CB-CD2 4.49Å; L131-N136 PolarHBondContact O-ND2 3.39Å; L131-V139 HydrophobicContact CD1-CG2 3.86Å
132D87.8Confident89.1Confident41 Ų4128 Ų2822%0.21913%0.126CC..  trans-66.7164.1173.785.2-45.5000111.5K134 S135 N136 E1959D132-K134 PolarHBondContact O-N 2.68Å; D132-K134 VanDerWaalsContact O-N 3.11Å; D132-K134 WeakPolarHBondContact OD2-CB 3.38Å; D132-K134 PolarHBondContact OD2-N 2.99Å; D132-S135 PolarHBondContact O-N 3.43Å; D132-S135 WeakPolarHBondContact OD1-CB 3.29Å; D132-S135 PolarHBondContact OD1-N 3.3Å; D132-S135 PolarHBondContact OD1-OG 3.31Å; D132-N136 WeakPolarHBondContact O-CB 3.46Å; D132-N136 PolarHBondContact O-N 3.09Å; D132-E1959 WeakPolarHBondContact CA-OE1 3.41Å; D132-E1959 WeakPolarHBondContact CB-OE1 3.48Å
133Y87.3Confident89Confident54 Ų5427.5 Ų27.521%0.21212%0.124CC..Hα-helixtrans-62.1-24.3-176.280-93.5000113.3R137 L181 F186 F1936Y133-R137 WeakPolarHBondContact O-CB 3.32Å; Y133-R137 PolarHBondContact O-N 3.17Å; Y133-R137 VanDerWaalsContact O-N 3.16Å; Y133-L181 WeakPolarHBondContact CA-O 3.39Å; Y133-L181 VanDerWaalsContact CB-O 3.32Å; Y133-L181 WeakPolarHBondContact CB-O 3.28Å; Y133-F186 HydrophobicContact CD2-CD2 4.38Å; Y133-F186 HydrophobicContact CD2-CE2 4.35Å; Y133-F186 HydrophobicContact CE2-CD2 4.32Å; Y133-F186 AromaticContact CE2-CE2 3.87Å; Y133-F186 HydrophobicContact CE2-CE2 3.87Å; Y133-F1936 AromaticContact CD1-CD1 3.96Å; Y133-F1936 HydrophobicContact CD1-CD1 3.96Å; Y133-F1936 AromaticContact CD1-CE1 3.85Å; Y133-F1936 HydrophobicContact CD1-CE1 3.85Å; Y133-F1936 HydrophobicContact CE1-CD1 4.37Å; Y133-F1936 HydrophobicContact CG-CD1 4.35Å; Y133-F1936 HydrophobicContact CG-CE1 4.06Å
134K87.9Confident88.8Confident126 Ų12627.7 Ų27.755%0.54813%0.125SC..Hα-helixtrans-76.5-44.3176.6-59.3176.9-179.4173.10111.4D132 R137 E138D132-K134 PolarHBondContact O-N 2.68Å; D132-K134 VanDerWaalsContact O-N 3.11Å; D132-K134 WeakPolarHBondContact OD2-CB 3.38Å; D132-K134 PolarHBondContact OD2-N 2.99Å; K134-R137 WeakPolarHBondContact O-CB 3.3Å; K134-R137 PolarHBondContact O-N 3.46Å; K134-E138 PolarHBondContact O-N 2.88Å; K134-E138 VanDerWaalsContact O-N 3.08Å
135S88.7Confident88.3Confident3 Ų332 Ų322%0.02115%0.145CC..Hα-helixtrans-67.7-36.3174.9-54.90000111.7R97 D132 R137 E138 V139R97-S135 VanDerWaalsContact CD-OG 3.25Å; R97-S135 WeakPolarHBondContact CD-OG 3.33Å; R97-S135 PolarHBondContact NE-OG 3.15Å; D132-S135 PolarHBondContact O-N 3.43Å; D132-S135 WeakPolarHBondContact OD1-CB 3.29Å; D132-S135 PolarHBondContact OD1-N 3.3Å; D132-S135 PolarHBondContact OD1-OG 3.31Å; S135-R137 VanDerWaalsContact C-N 3.32Å; S135-R137 PolarHBondContact O-N 3.26Å; S135-E138 WeakPolarHBondContact O-CB 3.41Å; S135-E138 PolarHBondContact O-N 2.92Å; S135-V139 WeakPolarHBondContact O-CG2 3.41Å; S135-V139 PolarHBondContact O-N 3.24Å
136N91.3Very high88Confident1 Ų133 Ų331%0.00515%0.149CC..Hα-helixtrans-63.7-36.3172.3-89.2-44.4000112.2I128 L131 D132 F140 L174 M182I128-N136 PolarHBondContact O-ND2 2.85Å; I128-N136 PolarHBondContact O-OD1 3.4Å; L131-N136 PolarHBondContact O-ND2 3.39Å; D132-N136 WeakPolarHBondContact O-CB 3.46Å; D132-N136 PolarHBondContact O-N 3.09Å; N136-F140 VanDerWaalsContact O-CB 3.26Å; N136-F140 WeakPolarHBondContact O-CB 3.38Å; N136-F140 PolarHBondContact O-N 3.4Å; N136-L174 HydrophobicContact CB-CD2 4.03Å; N136-M182 HydrophobicContact CB-CE 4.11Å; N136-M182 WeakPolarHBondContact O-CE 3.45Å
137R90.1Very high87.6Confident64 Ų6431.6 Ų31.624%0.24214%0.143CC..Hα-helixtrans-64.3-37.4171.6-178.1-178.3173.5174.8-1.3112.3Y133 K134 S135 N141 M182 E190Y133-R137 WeakPolarHBondContact O-CB 3.32Å; Y133-R137 PolarHBondContact O-N 3.17Å; Y133-R137 VanDerWaalsContact O-N 3.16Å; K134-R137 WeakPolarHBondContact O-CB 3.3Å; K134-R137 PolarHBondContact O-N 3.46Å; S135-R137 VanDerWaalsContact C-N 3.32Å; S135-R137 PolarHBondContact O-N 3.26Å; R137-N141 WeakPolarHBondContact O-CB 3.42Å; R137-N141 PolarHBondContact O-N 3.34Å; R137-M182 HydrophobicContact CB-CE 4.48Å; R137-M182 HydrophobicContact CB-SD 4.18Å; R137-E190 HydrophobicContact CG-CG 3.97Å; R137-E190 IonicContact CZ-OE1 3Å; R137-E190 IonicContact NE-OE1 3.88Å; R137-E190 PolarHBondContact NE-OE1 3.42Å; R137-E190 IonicContact NH2-OE1 3.92Å; R137-E190 PolarHBondContact NH2-OE1 3.26Å
138E89.1Confident86.9Confident75 Ų7535.2 Ų35.235%0.3517%0.168SC..Hα-helixtrans-66.5-48.8175.6-178.6173.5-156.700112.2H101 K134 S135 F140 N141 K142H101-E138 IonicContact CD2-OE1 2.72Å; H101-E138 PolarHBondContact CD2-OE1 2.91Å; K134-E138 PolarHBondContact O-N 2.88Å; K134-E138 VanDerWaalsContact O-N 3.08Å; S135-E138 WeakPolarHBondContact O-CB 3.41Å; S135-E138 PolarHBondContact O-N 2.92Å; E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 3.03Å; E138-N141 PolarHBondContact O-N 3.27Å; E138-K142 PolarHBondContact O-N 2.99Å; E138-K142 VanDerWaalsContact O-N 3.09Å
139V90.9Very high86.3Confident6 Ų638.4 Ų38.44%0.03618%0.183CC..Hα-helixtrans-59.5-41.1174.7172.10000111.2A100 I128 L131 S135 S143 L170 L174A100-V139 HydrophobicContact CB-CG2 4.25Å; I128-V139 HydrophobicContact CG2-CG1 4.3Å; L131-V139 HydrophobicContact CD1-CG2 3.86Å; S135-V139 WeakPolarHBondContact O-CG2 3.41Å; S135-V139 PolarHBondContact O-N 3.24Å; V139-S143 VanDerWaalsContact O-CB 3.29Å; V139-S143 WeakPolarHBondContact O-CB 3.38Å; V139-S143 PolarHBondContact O-N 3.3Å; V139-S143 PolarHBondContact O-OG 3.48Å; V139-L170 HydrophobicContact CG1-CD2 4.14Å; V139-L174 HydrophobicContact CG1-CD1 4.3Å
140F90.4Very high85.9Confident0 Ų037.4 Ų37.40%018%0.179CC..Hα-helixtrans-61.3-52.4176.3-177.7-115.4000112.3N136 E138 K142 S143 I144 L174 L175 M182 A187 E190 L191N136-F140 VanDerWaalsContact O-CB 3.26Å; N136-F140 WeakPolarHBondContact O-CB 3.38Å; N136-F140 PolarHBondContact O-N 3.4Å; E138-F140 VanDerWaalsContact C-N 3.3Å; E138-F140 PolarHBondContact O-N 3.03Å; F140-K142 PolarHBondContact O-N 2.82Å; F140-S143 PolarHBondContact O-N 3.07Å; F140-I144 HydrophobicContact CD1-CD1 3.78Å; F140-I144 HydrophobicContact CD2-CD1 4.18Å; F140-I144 HydrophobicContact CE1-CD1 3.38Å; F140-I144 HydrophobicContact CE2-CD1 3.82Å; F140-I144 HydrophobicContact CE2-CG1 4.45Å; F140-I144 HydrophobicContact CG-CD1 4.16Å; F140-I144 HydrophobicContact CZ-CD1 3.42Å; F140-I144 VanDerWaalsContact CZ-CD1 3.42Å; F140-I144 HydrophobicContact CZ-CG1 4.45Å; F140-I144 PolarHBondContact O-N 2.92Å; F140-L174 HydrophobicContact CB-CD1 3.99Å; F140-L174 HydrophobicContact CD2-CB 3.69Å; F140-L174 HydrophobicContact CD2-CD1 4.03Å; F140-L174 HydrophobicContact CD2-CG 4.47Å; F140-L174 HydrophobicContact CE2-CB 4.31Å; F140-L174 HydrophobicContact CG-CB 4.44Å; F140-L175 HydrophobicContact CE2-CD2 3.74Å; F140-L175 HydrophobicContact CE2-CG 4.01Å; F140-L175 HydrophobicContact CZ-CD2 3.56Å; F140-L175 HydrophobicContact CZ-CG 4.32Å; F140-M182 HydrophobicContact CB-CE 3.96Å; F140-M182 HydrophobicContact CG-CE 4.31Å; F140-A187 HydrophobicContact CD1-CB 4.5Å; F140-A187 HydrophobicContact CE1-CB 3.89Å; F140-A187 HydrophobicContact CZ-CB 4.13Å; F140-E190 HydrophobicContact CD1-CB 4.08Å; F140-E190 HydrophobicContact CE1-CB 4Å; F140-L191 HydrophobicContact CE1-CG 4.22Å; F140-L191 HydrophobicContact CZ-CD1 4.28Å; F140-L191 HydrophobicContact CZ-CD2 4.17Å; F140-L191 HydrophobicContact CZ-CG 3.99Å
141N87.5Confident85.2Confident36 Ų3639.2 Ų39.219%0.19319%0.193CC..Hα-helixtrans-55.9-48.3179.6-178.119.1000111.7R137 E138 I144 E145 R193 N194R137-N141 WeakPolarHBondContact O-CB 3.42Å; R137-N141 PolarHBondContact O-N 3.34Å; E138-N141 PolarHBondContact O-N 3.27Å; N141-I144 WeakPolarHBondContact O-CB 3.48Å; N141-I144 PolarHBondContact O-N 3.24Å; N141-E145 PolarHBondContact O-N 2.63Å; N141-R193 PolarHBondContact ND2-NH2 3.25Å; N141-N194 PolarHBondContact OD1-ND2 2.68Å
142K86.8Confident84.2Confident60 Ų6045.4 Ų45.426%0.26122%0.221SC..Hα-helixtrans-70.3-31.5178.5-75.2-75.5170.3-159.70113.8V104 E138 F140 I144 E145 K146V104-K142 HydrophobicContact CG1-CB 3.16Å; V104-K142 HydrophobicContact CG1-CG 3.94Å; E138-K142 PolarHBondContact O-N 2.99Å; E138-K142 VanDerWaalsContact O-N 3.09Å; F140-K142 PolarHBondContact O-N 2.82Å; K142-I144 VanDerWaalsContact C-N 3.34Å; K142-E145 WeakPolarHBondContact CD-OE2 3.48Å; K142-E145 WeakPolarHBondContact CE-OE2 3.36Å; K142-E145 VanDerWaalsContact NZ-CD 3.25Å; K142-E145 IonicContact NZ-OE1 3.7Å; K142-E145 PolarHBondContact NZ-OE1 2.87Å; K142-E145 IonicContact NZ-OE2 3.15Å; K142-E145 PolarHBondContact NZ-OE2 3.25Å; K142-E145 PolarHBondContact O-N 3.29Å; K142-K146 WeakPolarHBondContact O-CG 3.48Å; K142-K146 PolarHBondContact O-N 3.11Å
143S86.9Confident83.4Confident2 Ų251.4 Ų51.41%0.01425%0.245CC..Hα-helixtrans-67.4-36.9174.3-58.70000111.6V139 F140 S147 L170V139-S143 VanDerWaalsContact O-CB 3.29Å; V139-S143 WeakPolarHBondContact O-CB 3.38Å; V139-S143 PolarHBondContact O-N 3.3Å; V139-S143 PolarHBondContact O-OG 3.48Å; F140-S143 PolarHBondContact O-N 3.07Å; S143-S147 PolarHBondContact O-N 3Å; S143-L170 WeakPolarHBondContact OG-CD2 3.42Å
144I84Confident82.7Confident4 Ų450.3 Ų50.32%0.02124%0.242CC..Hα-helixtrans-63.9-46.4169.5-74.1163.4000111.2F140 N141 K142 K146 S147 L191 N194 F195 F210F140-I144 HydrophobicContact CD1-CD1 3.78Å; F140-I144 HydrophobicContact CD2-CD1 4.18Å; F140-I144 HydrophobicContact CE1-CD1 3.38Å; F140-I144 HydrophobicContact CE2-CD1 3.82Å; F140-I144 HydrophobicContact CE2-CG1 4.45Å; F140-I144 HydrophobicContact CG-CD1 4.16Å; F140-I144 HydrophobicContact CZ-CD1 3.42Å; F140-I144 VanDerWaalsContact CZ-CD1 3.42Å; F140-I144 HydrophobicContact CZ-CG1 4.45Å; F140-I144 PolarHBondContact O-N 2.92Å; N141-I144 WeakPolarHBondContact O-CB 3.48Å; N141-I144 PolarHBondContact O-N 3.24Å; K142-I144 VanDerWaalsContact C-N 3.34Å; I144-K146 VanDerWaalsContact C-N 3.27Å; I144-K146 PolarHBondContact O-N 3.09Å; I144-S147 PolarHBondContact O-N 3.08Å; I144-S147 PolarHBondContact O-OG 2.95Å; I144-L191 HydrophobicContact CD1-CD2 3.67Å; I144-L191 HydrophobicContact CD1-CG 4.33Å; I144-L191 HydrophobicContact CG1-CD2 4.41Å; I144-N194 HydrophobicContact CG2-CB 3.99Å; I144-F195 HydrophobicContact CG2-CD2 4.37Å; I144-F195 HydrophobicContact CG2-CE2 3.39Å; I144-F195 HydrophobicContact CG2-CZ 3.58Å; I144-F210 HydrophobicContact CG1-CZ 4.17Å
145E81.2Confident81.7Confident93 Ų9345.5 Ų45.544%0.43522%0.222SC..Hα-helixtrans-56.5-42.5178.4-172.8-176.2134.800111.6N141 K142 S147 S148N141-E145 PolarHBondContact O-N 2.63Å; K142-E145 WeakPolarHBondContact CD-OE2 3.48Å; K142-E145 WeakPolarHBondContact CE-OE2 3.36Å; K142-E145 VanDerWaalsContact NZ-CD 3.25Å; K142-E145 IonicContact NZ-OE1 3.7Å; K142-E145 PolarHBondContact NZ-OE1 2.87Å; K142-E145 IonicContact NZ-OE2 3.15Å; K142-E145 PolarHBondContact NZ-OE2 3.25Å; K142-E145 PolarHBondContact O-N 3.29Å; E145-S147 VanDerWaalsContact C-N 3.32Å; E145-S147 PolarHBondContact O-N 3.19Å; E145-S148 PolarHBondContact O-N 3.26Å; E145-S148 PolarHBondContact O-OG 3.38Å
146K82.4Confident80.7Confident20 Ų2050.8 Ų50.89%0.08726%0.257CS..Hα-helixtrans-69-24.5175.7-62.4-69.5-175.3172.10113.3S106 L109 F117 K142 I144 S148 Q149S106-K146 PolarHBondContact O-NZ 3.03Å; L109-K146 WeakPolarHBondContact O-CE 3.31Å; L109-K146 PolarHBondContact O-NZ 3.32Å; F117-K146 HydrophobicContact CE2-CB 4.46Å; K142-K146 WeakPolarHBondContact O-CG 3.48Å; K142-K146 PolarHBondContact O-N 3.11Å; I144-K146 VanDerWaalsContact C-N 3.27Å; I144-K146 PolarHBondContact O-N 3.09Å; K146-S148 PolarHBondContact O-N 3.03Å; K146-Q149 WeakPolarHBondContact O-CB 3.4Å; K146-Q149 PolarHBondContact O-N 3.02Å
147S79.8Confident79.8Confident0 Ų054.1 Ų54.10%028%0.275CS..Hα-helixtrans-69.4-17.4179.7730000114S143 I144 E145 Q149 F150S143-S147 PolarHBondContact O-N 3Å; I144-S147 PolarHBondContact O-N 3.08Å; I144-S147 PolarHBondContact O-OG 2.95Å; E145-S147 VanDerWaalsContact C-N 3.32Å; E145-S147 PolarHBondContact O-N 3.19Å; S147-Q149 PolarHBondContact O-N 3.44Å; S147-F150 VanDerWaalsContact CB-CE2 3.41Å; S147-F150 WeakPolarHBondContact O-CB 2.82Å; S147-F150 VanDerWaalsContact O-CD2 3.27Å; S147-F150 WeakPolarHBondContact O-CD2 3.11Å; S147-F150 VanDerWaalsContact O-CG 3.3Å; S147-F150 WeakPolarHBondContact O-CG 3.26Å; S147-F150 PolarHBondContact O-N 3.41Å; S147-F150 VanDerWaalsContact O-N 3.17Å
148S74.8Confident78.9Confident77 Ų7760 Ų6054%0.53830%0.297SS..THydrogen-bonded Turntrans-62.2-17.7170.965.40000114.2E145 K146 F150E145-S148 PolarHBondContact O-N 3.26Å; E145-S148 PolarHBondContact O-OG 3.38Å; K146-S148 PolarHBondContact O-N 3.03Å; S148-F150 VanDerWaalsContact C-N 3.29Å
149Q77.3Confident78Confident69 Ų6962.2 Ų62.232%0.32231%0.311SS..THydrogen-bonded Turntrans-84.1-2.2177.3-60.5-177.87.600113.1V111 K146 S147V111-Q149 HydrophobicContact CB-CB 4.14Å; V111-Q149 HydrophobicContact CG2-CB 3.52Å; K146-Q149 WeakPolarHBondContact O-CB 3.4Å; K146-Q149 PolarHBondContact O-N 3.02Å; S147-Q149 PolarHBondContact O-N 3.44Å
150F81Confident77.2Confident13 Ų1364.9 Ų64.96%0.05733%0.325CS..  trans-83.3126.9-179.8-58.1-24.6000110.9V111 F117 S147 S148 F155 I164 S167 L168 P203 I206V111-F150 HydrophobicContact CG2-CD1 3.77Å; V111-F150 HydrophobicContact CG2-CE1 3.72Å; F117-F150 AromaticContact CE1-CE1 3.76Å; F117-F150 HydrophobicContact CE1-CE1 3.76Å; F117-F150 HydrophobicContact CE1-CZ 4.02Å; F117-F150 HydrophobicContact CE2-CE1 4.36Å; F117-F150 AromaticContact CZ-CE1 3.47Å; F117-F150 HydrophobicContact CZ-CE1 3.47Å; F117-F150 VanDerWaalsContact CZ-CE1 3.47Å; F117-F150 AromaticContact CZ-CZ 3.75Å; F117-F150 HydrophobicContact CZ-CZ 3.75Å; S147-F150 VanDerWaalsContact CB-CE2 3.41Å; S147-F150 WeakPolarHBondContact O-CB 2.82Å; S147-F150 VanDerWaalsContact O-CD2 3.27Å; S147-F150 WeakPolarHBondContact O-CD2 3.11Å; S147-F150 VanDerWaalsContact O-CG 3.3Å; S147-F150 WeakPolarHBondContact O-CG 3.26Å; S147-F150 PolarHBondContact O-N 3.41Å; S147-F150 VanDerWaalsContact O-N 3.17Å; S148-F150 VanDerWaalsContact C-N 3.29Å; F150-F155 HydrophobicContact CB-CE2 3.95Å; F150-F155 HydrophobicContact CB-CZ 4.1Å; F150-F155 HydrophobicContact CD2-CZ 4.28Å; F150-F155 HydrophobicContact CG-CZ 4.44Å; F150-I164 HydrophobicContact CD1-CB 4.43Å; F150-I164 HydrophobicContact CD1-CG2 3.66Å; F150-I164 HydrophobicContact CE1-CB 4.08Å; F150-I164 HydrophobicContact CE1-CG2 3.49Å; F150-I164 VanDerWaalsContact CE1-CG2 3.49Å; F150-I164 HydrophobicContact CZ-CB 4.28Å; F150-I164 HydrophobicContact CZ-CG2 4.19Å; F150-S167 VanDerWaalsContact CZ-OG 3.29Å; F150-S167 WeakPolarHBondContact CZ-OG 3.42Å; F150-L168 HydrophobicContact CE2-CD2 3.94Å; F150-P203 HydrophobicContact CB-CG 3.56Å; F150-P203 HydrophobicContact CD2-CG 4.41Å; F150-I206 HydrophobicContact CD2-CD1 3.55Å; F150-I206 HydrophobicContact CE2-CD1 3.73Å
151T73.9Confident76.6Confident70 Ų7067.5 Ų67.543%0.42934%0.337SS..  trans-103.3150.8176.263.60000110.4K153 M154 F155T151-K153 PolarHBondContact O-N 3.44Å; T151-K153 VanDerWaalsContact O-N 3.15Å; T151-M154 HydrophobicContact CG2-CE 4.35Å; T151-M154 PolarHBondContact N-SD 2.87Å; T151-M154 VanDerWaalsContact O-CB 3.29Å; T151-M154 WeakPolarHBondContact O-CB 3.38Å; T151-M154 PolarHBondContact O-N 3.14Å; T151-M154 WeakPolarHBondContact OG1-CG 3.39Å; T151-M154 PolarHBondContact OG1-SD 3.47Å; T151-F155 WeakPolarHBondContact O-CD2 3.45Å
152E68.3Low76.3Confident140 Ų14071.2 Ų71.265%0.65435%0.349SS*.THydrogen-bonded Turntrans-54.1-36.7178.1-65.1-171.7141.300112.9M154 F155 C156E152-M154 PolarHBondContact O-N 3.39Å; E152-M154 VanDerWaalsContact O-N 3.11Å; E152-F155 PolarHBondContact O-N 3.36Å; E152-C156 PolarHBondContact O-N 3.08Å
153K71.2Confident76Confident167 Ų16769 Ų6973%0.72634%0.34SS*.Hα-helixtrans-54.1-31.3174.3-67.8-174.6179.1179.80113T151 F155 C156 D157T151-K153 PolarHBondContact O-N 3.44Å; T151-K153 VanDerWaalsContact O-N 3.15Å; K153-F155 VanDerWaalsContact C-N 3.25Å; K153-F155 PolarHBondContact O-N 2.97Å; K153-C156 PolarHBondContact O-N 3.38Å; K153-D157 PolarHBondContact O-N 3.25Å
154M72.1Confident75.8Confident30 Ų3068.9 Ų68.915%0.14834%0.339CS..Hα-helixtrans-72-17.2178.2-64.1161.217700113.6V111 T151 E152 L160 F161 I164V111-M154 HydrophobicContact CB-CE 4.43Å; V111-M154 HydrophobicContact CG1-CE 3.48Å; V111-M154 VanDerWaalsContact CG1-CE 3.48Å; V111-M154 HydrophobicContact CG1-SD 3.69Å; T151-M154 HydrophobicContact CG2-CE 4.35Å; T151-M154 PolarHBondContact N-SD 2.87Å; T151-M154 VanDerWaalsContact O-CB 3.29Å; T151-M154 WeakPolarHBondContact O-CB 3.38Å; T151-M154 PolarHBondContact O-N 3.14Å; T151-M154 WeakPolarHBondContact OG1-CG 3.39Å; T151-M154 PolarHBondContact OG1-SD 3.47Å; E152-M154 PolarHBondContact O-N 3.39Å; E152-M154 VanDerWaalsContact O-N 3.11Å; M154-L160 HydrophobicContact CB-CB 3.92Å; M154-L160 HydrophobicContact CB-CD1 4.5Å; M154-L160 HydrophobicContact CG-CB 4.03Å; M154-L160 HydrophobicContact CG-CD1 4Å; M154-L160 HydrophobicContact CG-CG 4.45Å; M154-L160 CarbonylContact O-C 3.34Å; M154-F161 WeakPolarHBondContact O-CA 3.47Å; M154-F161 PolarHBondContact O-N 2.88Å; M154-I164 HydrophobicContact CB-CD1 4.3Å
155F68.7Low75.8Confident26 Ų2671.9 Ų71.911%0.11436%0.355CS..Hα-helixtrans-94-28.7174.8-59.7-91.9000111.9F150 T151 E152 K153 F161 I164 L168 P203 F205 I206F150-F155 HydrophobicContact CB-CE2 3.95Å; F150-F155 HydrophobicContact CB-CZ 4.1Å; F150-F155 HydrophobicContact CD2-CZ 4.28Å; F150-F155 HydrophobicContact CG-CZ 4.44Å; T151-F155 WeakPolarHBondContact O-CD2 3.45Å; E152-F155 PolarHBondContact O-N 3.36Å; K153-F155 VanDerWaalsContact C-N 3.25Å; K153-F155 PolarHBondContact O-N 2.97Å; F155-F161 AromaticContact CD1-CD2 3.98Å; F155-F161 HydrophobicContact CD1-CD2 3.98Å; F155-F161 HydrophobicContact CD1-CE2 4.07Å; F155-I164 HydrophobicContact CD1-CD1 3.94Å; F155-I164 HydrophobicContact CD2-CD1 4.42Å; F155-I164 HydrophobicContact CE1-CD1 3.41Å; F155-I164 VanDerWaalsContact CE1-CD1 3.41Å; F155-I164 HydrophobicContact CE2-CD1 3.93Å; F155-I164 HydrophobicContact CG-CD1 4.41Å; F155-I164 HydrophobicContact CZ-CD1 3.4Å; F155-L168 HydrophobicContact CE1-CD1 4.29Å; F155-P203 HydrophobicContact CD2-CB 4.01Å; F155-P203 HydrophobicContact CD2-CG 4.42Å; F155-P203 HydrophobicContact CE1-CB 4.37Å; F155-P203 HydrophobicContact CE2-CB 3.29Å; F155-P203 HydrophobicContact CE2-CG 3.35Å; F155-P203 HydrophobicContact CZ-CB 3.5Å; F155-P203 HydrophobicContact CZ-CG 3.58Å; F155-F205 HydrophobicContact CB-CD2 3.93Å; F155-F205 HydrophobicContact CB-CE2 3.95Å; F155-F205 AromaticContact CD1-CD2 3.73Å; F155-F205 HydrophobicContact CD1-CD2 3.73Å; F155-F205 HydrophobicContact CE1-CD2 4.49Å; F155-F205 AromaticContact CG-CD2 3.9Å; F155-F205 HydrophobicContact CG-CD2 3.9Å; F155-F205 HydrophobicContact CG-CE2 4.4Å; F155-I206 HydrophobicContact CZ-CD1 4.49Å
156C66.8Low76Confident114 Ų11467.8 Ų67.877%0.7734%0.337SS*.Hα-helixtrans-76.7-42175.4-57.20000112.8E152 K153 R158E152-C156 PolarHBondContact O-N 3.08Å; K153-C156 PolarHBondContact O-N 3.38Å; C156-R158 PolarHBondContact O-N 3.5Å
157D72.2Confident76.2Confident70 Ų7066.9 Ų66.937%0.37433%0.333SS..SBendtrans-81.4115.5174.9-177.3-7000110.2K153 N159 L160 F161K153-D157 PolarHBondContact O-N 3.25Å; D157-N159 PolarHBondContact O-N 3.14Å; D157-N159 VanDerWaalsContact O-N 3.16Å; D157-N159 WeakPolarHBondContact OD1-CB 3.15Å; D157-N159 PolarHBondContact OD1-N 2.77Å; D157-L160 HydrophobicContact CB-CB 4.13Å; D157-L160 HydrophobicContact CB-CD1 3.95Å; D157-L160 HydrophobicContact CB-CG 4.03Å; D157-L160 PolarHBondContact O-N 3.25Å; D157-F161 PolarHBondContact O-N 3.25Å
158R72Confident76.4Confident187 Ų18767 Ų6771%0.70633%0.334SS*.Hα-helixtrans-54-34.9178.7-145.1179.6-166-177.85.3112.7C156 F161 Y162C156-R158 PolarHBondContact O-N 3.5Å; R158-F161 PolarHBondContact O-N 2.72Å; R158-Y162 HydrophobicContact CG-CE2 4.24Å; R158-Y162 WeakPolarHBondContact O-CD2 3.3Å; R158-Y162 PolarHBondContact O-N 2.99Å
159N70.7Confident76.9Confident122 Ų12264.5 Ų64.565%0.65231%0.314SS*.Hα-helixtrans-71.4-37.8179.4-64.2-39.2000112D157D157-N159 PolarHBondContact O-N 3.14Å; D157-N159 VanDerWaalsContact O-N 3.16Å; D157-N159 WeakPolarHBondContact OD1-CB 3.15Å; D157-N159 PolarHBondContact OD1-N 2.77Å
160L73.4Confident77.4Confident62 Ų6261.2 Ų61.233%0.32530%0.298SS..Hα-helixtrans-73.6-33.6174.5-65.6177000111.3M154 D157 Y162 T163M154-L160 HydrophobicContact CB-CB 3.92Å; M154-L160 HydrophobicContact CB-CD1 4.5Å; M154-L160 HydrophobicContact CG-CB 4.03Å; M154-L160 HydrophobicContact CG-CD1 4Å; M154-L160 HydrophobicContact CG-CG 4.45Å; M154-L160 CarbonylContact O-C 3.34Å; D157-L160 HydrophobicContact CB-CB 4.13Å; D157-L160 HydrophobicContact CB-CD1 3.95Å; D157-L160 HydrophobicContact CB-CG 4.03Å; D157-L160 PolarHBondContact O-N 3.25Å; L160-Y162 PolarHBondContact O-N 2.89Å; L160-T163 WeakPolarHBondContact O-CB 3.45Å; L160-T163 PolarHBondContact O-N 2.91Å; L160-T163 VanDerWaalsContact O-N 3.11Å
161F78.6Confident77.7Confident56 Ų5660.6 Ų60.625%0.24630%0.296CS..Hα-helixtrans-62.8-42.9178.9-178.3-94.5000112.2M154 F155 D157 R158 T163 I164 D165 L168M154-F161 WeakPolarHBondContact O-CA 3.47Å; M154-F161 PolarHBondContact O-N 2.88Å; F155-F161 AromaticContact CD1-CD2 3.98Å; F155-F161 HydrophobicContact CD1-CD2 3.98Å; F155-F161 HydrophobicContact CD1-CE2 4.07Å; D157-F161 PolarHBondContact O-N 3.25Å; R158-F161 PolarHBondContact O-N 2.72Å; F161-T163 PolarHBondContact O-N 2.86Å; F161-T163 VanDerWaalsContact O-N 3.12Å; F161-I164 HydrophobicContact CD2-CD1 4.41Å; F161-I164 HydrophobicContact CD2-CG1 4.47Å; F161-I164 WeakPolarHBondContact O-CG1 3.45Å; F161-I164 PolarHBondContact O-N 3.18Å; F161-D165 HydrophobicContact CE1-CB 4.05Å; F161-D165 HydrophobicContact CZ-CB 4.49Å; F161-D165 PolarHBondContact O-N 2.89Å; F161-D165 VanDerWaalsContact O-N 3.1Å; F161-L168 HydrophobicContact CE2-CD1 3.75Å; F161-L168 HydrophobicContact CZ-CD1 3.98Å
162Y79.4Confident78.2Confident113 Ų11359 Ų5944%0.44328%0.283SS..Hα-helixtrans-56.5-30.1176.1-79.5-63.6000113.1R118 R158 L160 I164R118-Y162 WeakPolarHBondContact CD-O 3.49Å; R158-Y162 HydrophobicContact CG-CE2 4.24Å; R158-Y162 WeakPolarHBondContact O-CD2 3.3Å; R158-Y162 PolarHBondContact O-N 2.99Å; L160-Y162 PolarHBondContact O-N 2.89Å; Y162-I164 VanDerWaalsContact C-N 3.33Å; Y162-I164 PolarHBondContact O-N 3.25Å
163T81.2Confident79.1Confident13 Ų1352.3 Ų52.38%0.0825%0.252CS..Hα-helixtrans-61.6-40.2177-66.30000112.3P114 F117 R118 L160 F161P114-T163 VanDerWaalsContact CA-CG2 3.46Å; P114-T163 HydrophobicContact CB-CG2 3.53Å; P114-T163 WeakPolarHBondContact CB-OG1 3.44Å; P114-T163 WeakPolarHBondContact O-CG2 3.42Å; F117-T163 HydrophobicContact CB-CG2 4.49Å; F117-T163 HydrophobicContact CD1-CG2 4.47Å; R118-T163 WeakPolarHBondContact CA-O 3.46Å; R118-T163 WeakPolarHBondContact CB-O 3.32Å; L160-T163 WeakPolarHBondContact O-CB 3.45Å; L160-T163 PolarHBondContact O-N 2.91Å; L160-T163 VanDerWaalsContact O-N 3.11Å; F161-T163 PolarHBondContact O-N 2.86Å; F161-T163 VanDerWaalsContact O-N 3.12Å
164I83.2Confident79.9Confident0 Ų044.8 Ų44.80%022%0.22CC..Hα-helixtrans-96.6-23.1-170.957.5173000113.3V111 F117 F150 M154 F155 F161 Y162 P166 S167 L168V111-I164 HydrophobicContact CG1-CG2 4.35Å; F117-I164 HydrophobicContact CE1-CG2 4.27Å; F150-I164 HydrophobicContact CD1-CB 4.43Å; F150-I164 HydrophobicContact CD1-CG2 3.66Å; F150-I164 HydrophobicContact CE1-CB 4.08Å; F150-I164 HydrophobicContact CE1-CG2 3.49Å; F150-I164 VanDerWaalsContact CE1-CG2 3.49Å; F150-I164 HydrophobicContact CZ-CB 4.28Å; F150-I164 HydrophobicContact CZ-CG2 4.19Å; M154-I164 HydrophobicContact CB-CD1 4.3Å; F155-I164 HydrophobicContact CD1-CD1 3.94Å; F155-I164 HydrophobicContact CD2-CD1 4.42Å; F155-I164 HydrophobicContact CE1-CD1 3.41Å; F155-I164 VanDerWaalsContact CE1-CD1 3.41Å; F155-I164 HydrophobicContact CE2-CD1 3.93Å; F155-I164 HydrophobicContact CG-CD1 4.41Å; F155-I164 HydrophobicContact CZ-CD1 3.4Å; F161-I164 HydrophobicContact CD2-CD1 4.41Å; F161-I164 HydrophobicContact CD2-CG1 4.47Å; F161-I164 WeakPolarHBondContact O-CG1 3.45Å; F161-I164 PolarHBondContact O-N 3.18Å; Y162-I164 VanDerWaalsContact C-N 3.33Å; Y162-I164 PolarHBondContact O-N 3.25Å; I164-P166 VanDerWaalsContact C-CD 3.49Å; I164-P166 VanDerWaalsContact O-N 3.14Å; I164-S167 WeakPolarHBondContact O-CB 3.32Å; I164-S167 PolarHBondContact O-N 3.48Å; I164-S167 PolarHBondContact O-OG 2.88Å; I164-L168 HydrophobicContact CD1-CD1 4.38Å; I164-L168 HydrophobicContact CG1-CD1 4.24Å; I164-L168 PolarHBondContact O-N 3.5Å
165D83.9Confident80.6Confident67 Ų6744.3 Ų44.336%0.35822%0.218SC..Hα-helixtrans-43.2-47.3-174.7-170.843.8000115.7F161 S167 L168 E169F161-D165 HydrophobicContact CE1-CB 4.05Å; F161-D165 HydrophobicContact CZ-CB 4.49Å; F161-D165 PolarHBondContact O-N 2.89Å; F161-D165 VanDerWaalsContact O-N 3.1Å; D165-S167 VanDerWaalsContact C-N 3.27Å; D165-S167 PolarHBondContact O-N 2.97Å; D165-L168 WeakPolarHBondContact O-CB 3.3Å; D165-L168 PolarHBondContact O-N 3.33Å; D165-L168 VanDerWaalsContact O-N 3.09Å; D165-E169 PolarHBondContact O-N 3.41Å; D165-E169 VanDerWaalsContact O-N 3.12Å
166P84.7Confident81.5Confident7 Ų744.3 Ų44.35%0.04522%0.221CC..Hα-helixtrans-66-26.4179.6-21.235.4000114.1R118 F121 K122 L125 I164 L170R118-P166 HydrophobicContact CG-CG 3.99Å; F121-P166 HydrophobicContact CB-CB 3.8Å; K122-P166 HydrophobicContact CD-CG 4.42Å; K122-P166 HydrophobicContact CG-CB 3.76Å; K122-P166 HydrophobicContact CG-CG 3.68Å; L125-P166 HydrophobicContact CD1-CB 4.02Å; L125-P166 WeakPolarHBondContact CD1-O 3.27Å; I164-P166 VanDerWaalsContact C-CD 3.49Å; I164-P166 VanDerWaalsContact O-N 3.14Å; P166-L170 PolarHBondContact O-N 2.93Å
167S86.8Confident82.3Confident2 Ų241.2 Ų41.21%0.01419%0.193CC..Hα-helixtrans-73.8-33.2174.973.10000112F121 F150 I164 D165 L170 I171F121-S167 VanDerWaalsContact CD1-CA 3.47Å; F121-S167 VanDerWaalsContact CD1-CB 3.47Å; F121-S167 VanDerWaalsContact CG-CB 3.47Å; F150-S167 VanDerWaalsContact CZ-OG 3.29Å; F150-S167 WeakPolarHBondContact CZ-OG 3.42Å; I164-S167 WeakPolarHBondContact O-CB 3.32Å; I164-S167 PolarHBondContact O-N 3.48Å; I164-S167 PolarHBondContact O-OG 2.88Å; D165-S167 VanDerWaalsContact C-N 3.27Å; D165-S167 PolarHBondContact O-N 2.97Å; S167-L170 PolarHBondContact O-N 3.32Å; S167-I171 WeakPolarHBondContact O-CG1 3.17Å; S167-I171 PolarHBondContact O-N 3.45Å
168L83.9Confident82.5Confident2 Ų240.2 Ų40.21%0.0119%0.186CC..Hα-helixtrans-66.9-43.4175.8-50.2177.2000109.9F150 F155 F161 I164 D165 L170 I171 Q172 I206 W1673F150-L168 HydrophobicContact CE2-CD2 3.94Å; F155-L168 HydrophobicContact CE1-CD1 4.29Å; F161-L168 HydrophobicContact CE2-CD1 3.75Å; F161-L168 HydrophobicContact CZ-CD1 3.98Å; I164-L168 HydrophobicContact CD1-CD1 4.38Å; I164-L168 HydrophobicContact CG1-CD1 4.24Å; I164-L168 PolarHBondContact O-N 3.5Å; D165-L168 WeakPolarHBondContact O-CB 3.3Å; D165-L168 PolarHBondContact O-N 3.33Å; D165-L168 VanDerWaalsContact O-N 3.09Å; L168-L170 PolarHBondContact O-N 2.91Å; L168-I171 PolarHBondContact O-N 2.88Å; L168-Q172 WeakPolarHBondContact O-CG 3.29Å; L168-Q172 PolarHBondContact O-N 2.79Å; L168-Q172 VanDerWaalsContact O-N 3.16Å; L168-I206 HydrophobicContact CD2-CD1 3.59Å; L168-I206 HydrophobicContact CD2-CG1 4.09Å; L168-W1673 HydrophobicContact CB-CH2 4.23Å; L168-W1673 HydrophobicContact CB-CZ2 3.56Å; L168-W1673 HydrophobicContact CD1-CZ2 4.46Å; L168-W1673 HydrophobicContact CD2-CZ2 3.73Å; L168-W1673 HydrophobicContact CG-CZ2 4.07Å
169E85Confident83Confident24 Ų2431.7 Ų31.711%0.11215%0.154CC..Hα-helixtrans-65.2-36.2176.1-164-175.1-168.100112.7L125 D165 I171 Q172 L173 S1676 S1677 R1678L125-E169 HydrophobicContact CD1-CB 4.22Å; L125-E169 HydrophobicContact CD2-CB 3.94Å; L125-E169 HydrophobicContact CD2-CG 3.9Å; D165-E169 PolarHBondContact O-N 3.41Å; D165-E169 VanDerWaalsContact O-N 3.12Å; E169-I171 VanDerWaalsContact C-N 3.33Å; E169-I171 PolarHBondContact O-N 2.89Å; E169-Q172 WeakPolarHBondContact O-CB 3.33Å; E169-Q172 PolarHBondContact O-N 3Å; E169-L173 PolarHBondContact O-N 2.95Å; E169-S1676 WeakPolarHBondContact CG-OG 3.43Å; E169-S1676 WeakPolarHBondContact OE1-CB 3.36Å; E169-S1676 PolarHBondContact OE1-OG 2.75Å; E169-S1677 PolarHBondContact OE1-N 3.49Å; E169-R1678 PolarHBondContact OE1-N 3Å; E169-R1678 IonicContact OE1-NH1 2.67Å; E169-R1678 IonicContact OE2-CZ 3.73Å; E169-R1678 IonicContact OE2-NH1 3.91Å; E169-R1678 PolarHBondContact OE2-NH1 2.88Å
170L89.3Confident83.7Confident0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-60.5-45.9177.2-172.583.5000111F121 L124 L125 I128 V139 S143 P166 S167 L168 Q172 L173 L174F121-L170 HydrophobicContact CD1-CB 4.36Å; F121-L170 HydrophobicContact CD1-CD2 3.78Å; F121-L170 HydrophobicContact CE1-CD2 3.79Å; L124-L170 VanDerWaalsContact C-CD1 3.48Å; L124-L170 HydrophobicContact CB-CD1 3.79Å; L124-L170 HydrophobicContact CB-CD2 4.21Å; L124-L170 HydrophobicContact CD1-CD2 4.43Å; L125-L170 HydrophobicContact CD2-CB 4.16Å; L125-L170 HydrophobicContact CD2-CD1 4.28Å; L125-L170 HydrophobicContact CG-CB 4.38Å; L125-L170 HydrophobicContact CG-CD1 4.26Å; I128-L170 HydrophobicContact CD1-CD1 4.24Å; I128-L170 HydrophobicContact CG2-CD1 3.7Å; V139-L170 HydrophobicContact CG1-CD2 4.14Å; S143-L170 WeakPolarHBondContact OG-CD2 3.42Å; P166-L170 PolarHBondContact O-N 2.93Å; S167-L170 PolarHBondContact O-N 3.32Å; L168-L170 PolarHBondContact O-N 2.91Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 2.89Å; L170-L173 PolarHBondContact O-N 3.19Å; L170-L174 HydrophobicContact CD2-CD1 4.44Å; L170-L174 HydrophobicContact CG-CD1 4.16Å; L170-L174 PolarHBondContact O-N 3.36Å
171I86.8Confident84.3Confident1 Ų124.5 Ų24.51%0.00512%0.117CC..Hα-helixtrans-61-42.1177.8-69.6168.7000110.5S167 L168 E169 L173 L174 L175 F210 W1673S167-I171 WeakPolarHBondContact O-CG1 3.17Å; S167-I171 PolarHBondContact O-N 3.45Å; L168-I171 PolarHBondContact O-N 2.88Å; E169-I171 VanDerWaalsContact C-N 3.33Å; E169-I171 PolarHBondContact O-N 2.89Å; I171-L173 PolarHBondContact O-N 3.17Å; I171-L174 PolarHBondContact O-N 3Å; I171-L175 HydrophobicContact CG2-CD1 4.14Å; I171-L175 WeakPolarHBondContact O-CG 3.39Å; I171-L175 PolarHBondContact O-N 3.42Å; I171-F210 HydrophobicContact CG2-CE1 3.54Å; I171-F210 HydrophobicContact CG2-CZ 4.09Å; I171-W1673 HydrophobicContact CG2-CH2 4.43Å
172Q83.9Confident84.8Confident35 Ų3522.1 Ų22.116%0.16411%0.107CC..Hα-helixtrans-59.4-41.1176.3-69.7176.919.200113.4L168 E169 L170 L175 C176 W1673 R1674 S1676L168-Q172 WeakPolarHBondContact O-CG 3.29Å; L168-Q172 PolarHBondContact O-N 2.79Å; L168-Q172 VanDerWaalsContact O-N 3.16Å; E169-Q172 WeakPolarHBondContact O-CB 3.33Å; E169-Q172 PolarHBondContact O-N 3Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 2.89Å; Q172-L175 PolarHBondContact O-N 3.49Å; Q172-C176 PolarHBondContact O-N 2.94Å; Q172-W1673 HydrophobicContact CG-CE3 3.84Å; Q172-W1673 HydrophobicContact CG-CH2 4.05Å; Q172-W1673 HydrophobicContact CG-CZ3 3.29Å; Q172-R1674 PolarHBondContact NE2-O 3.25Å; Q172-R1674 PolarHBondContact OE1-O 2.84Å; Q172-S1676 VanDerWaalsContact OE1-CB 3.28Å
173L86.7Confident85.3Confident1 Ų116.9 Ų16.91%0.0059%0.086CC..Hα-helixtrans-71.5-36-178.6-70.6171.1000112.5L125 I128 F129 E169 L170 I171 L175 C176 I179 R1678 A1679L125-L173 HydrophobicContact CD2-CD1 3.69Å; I128-L173 HydrophobicContact CD1-CB 3.63Å; I128-L173 HydrophobicContact CD1-CD1 3.85Å; I128-L173 HydrophobicContact CD1-CG 4.4Å; F129-L173 HydrophobicContact CE2-CD1 4.4Å; F129-L173 HydrophobicContact CZ-CD1 4.28Å; F129-L173 HydrophobicContact CZ-CD2 4.45Å; E169-L173 PolarHBondContact O-N 2.95Å; L170-L173 PolarHBondContact O-N 3.19Å; I171-L173 PolarHBondContact O-N 3.17Å; L173-L175 VanDerWaalsContact C-N 3.28Å; L173-L175 PolarHBondContact O-N 2.96Å; L173-C176 VanDerWaalsContact O-CB 3.3Å; L173-C176 WeakPolarHBondContact O-CB 2.93Å; L173-C176 PolarHBondContact O-N 3.28Å; L173-I179 HydrophobicContact CD2-CD1 3.69Å; L173-R1678 HydrophobicContact CD1-CB 4.01Å; L173-R1678 HydrophobicContact CD2-CB 4.1Å; L173-A1679 HydrophobicContact CD2-CB 4Å
174L89Confident85.6Confident8 Ų816.9 Ų16.94%0.0429%0.088CC..Hα-helixtrans-69.3-26.1176.4-70.1163.4000112.6I128 N136 V139 F140 L170 I171 L181 M182I128-L174 HydrophobicContact CG2-CD2 4.21Å; N136-L174 HydrophobicContact CB-CD2 4.03Å; V139-L174 HydrophobicContact CG1-CD1 4.3Å; F140-L174 HydrophobicContact CB-CD1 3.99Å; F140-L174 HydrophobicContact CD2-CB 3.69Å; F140-L174 HydrophobicContact CD2-CD1 4.03Å; F140-L174 HydrophobicContact CD2-CG 4.47Å; F140-L174 HydrophobicContact CE2-CB 4.31Å; F140-L174 HydrophobicContact CG-CB 4.44Å; L170-L174 HydrophobicContact CD2-CD1 4.44Å; L170-L174 HydrophobicContact CG-CD1 4.16Å; L170-L174 PolarHBondContact O-N 3.36Å; I171-L174 PolarHBondContact O-N 3Å; L174-L181 HydrophobicContact CD2-CD1 4.22Å; L174-M182 HydrophobicContact CB-CE 4.48Å; L174-M182 HydrophobicContact CD2-CE 4.03Å
175L87.4Confident85.9Confident20 Ų2017 Ų1711%0.1059%0.089CC..THydrogen-bonded Turntrans-84-4.8172.6-66178.2000114.2F140 I171 Q172 L173 R177 A187 L191 F210 F213F140-L175 HydrophobicContact CE2-CD2 3.74Å; F140-L175 HydrophobicContact CE2-CG 4.01Å; F140-L175 HydrophobicContact CZ-CD2 3.56Å; F140-L175 HydrophobicContact CZ-CG 4.32Å; I171-L175 HydrophobicContact CG2-CD1 4.14Å; I171-L175 WeakPolarHBondContact O-CG 3.39Å; I171-L175 PolarHBondContact O-N 3.42Å; Q172-L175 PolarHBondContact O-N 3.49Å; L173-L175 VanDerWaalsContact C-N 3.28Å; L173-L175 PolarHBondContact O-N 2.96Å; L175-R177 PolarHBondContact O-N 3.16Å; L175-A187 HydrophobicContact CD2-CB 4.1Å; L175-L191 HydrophobicContact CD2-CD1 4.21Å; L175-F210 HydrophobicContact CD1-CD1 3.91Å; L175-F210 HydrophobicContact CD1-CE1 4Å; L175-F213 HydrophobicContact CB-CD2 3.98Å; L175-F213 HydrophobicContact CB-CE2 4.29Å; L175-F213 HydrophobicContact CB-CG 4.44Å; L175-F213 HydrophobicContact CD1-CB 4.36Å; L175-F213 HydrophobicContact CD1-CG 4.44Å; L175-F213 HydrophobicContact CD2-CD1 3.74Å; L175-F213 HydrophobicContact CD2-CD2 3.92Å; L175-F213 HydrophobicContact CD2-CE1 3.8Å; L175-F213 HydrophobicContact CD2-CE2 3.98Å; L175-F213 HydrophobicContact CD2-CG 3.8Å; L175-F213 HydrophobicContact CD2-CZ 3.92Å; L175-F213 HydrophobicContact CG-CD2 4.44Å; L175-F213 HydrophobicContact CG-CG 4.46Å; L175-F213 WeakPolarHBondContact O-CE2 3.21Å
176C85.6Confident86.1Confident26 Ų2615 Ų1518%0.1768%0.077CC..  trans-78.9107.7-171.1-171.80000113.5Q172 L173 E178 I179 C180Q172-C176 PolarHBondContact O-N 2.94Å; L173-C176 VanDerWaalsContact O-CB 3.3Å; L173-C176 WeakPolarHBondContact O-CB 2.93Å; L173-C176 PolarHBondContact O-N 3.28Å; C176-E178 VanDerWaalsContact C-N 3.32Å; C176-E178 PolarHBondContact O-N 3.3Å; C176-I179 HydrophobicContact CB-CB 4.36Å; C176-I179 HydrophobicContact CB-CD1 3.95Å; C176-I179 HydrophobicContact CB-CG1 4.2Å; C176-I179 PolarHBondContact O-N 3.04Å; C176-C180 PolarHBondContact O-N 3.39Å
177R83.9Confident86.3Confident49 Ų4914.8 Ų14.819%0.1858%0.075CC..THydrogen-bonded Turntrans-59.5-33.7177.1-69.5179.9172.5-893.4114.2L175 C180 A184 S216 D1897 D1901L175-R177 PolarHBondContact O-N 3.16Å; R177-C180 WeakPolarHBondContact O-CB 3.21Å; R177-C180 PolarHBondContact O-N 2.89Å; R177-A184 HydrophobicContact CG-CB 4.43Å; R177-S216 PolarHBondContact NE-OG 3Å; R177-S216 PolarHBondContact NH2-OG 3.28Å; R177-D1897 IonicContact NH1-OD1 2.78Å; R177-D1901 IonicContact CZ-OD2 2.74Å; R177-D1901 IonicContact NH1-OD1 3.59Å; R177-D1901 IonicContact NH1-OD2 3.65Å; R177-D1901 PolarHBondContact NH1-OD2 2.79Å; R177-D1901 IonicContact NH2-OD2 3.26Å; R177-D1901 PolarHBondContact NH2-OD2 3.28Å
178E77.6Confident86.3Confident49 Ų4914.7 Ų14.723%0.2297%0.074CC..THydrogen-bonded Turntrans-68.2-36.9-179.3-63.8178.2-173.900112.8C176 R1683 K1932C176-E178 VanDerWaalsContact C-N 3.32Å; C176-E178 PolarHBondContact O-N 3.3Å; E178-R1683 IonicContact OE1-NH1 2.77Å; E178-R1683 PolarHBondContact OE1-NH1 3.44Å; E178-K1932 WeakPolarHBondContact O-CE 3.06Å; E178-K1932 PolarHBondContact O-NZ 3.46Å
179I81.6Confident86.3Confident9 Ų917.3 Ų17.35%0.0469%0.087CC..THydrogen-bonded Turntrans-79.4-38.7177.4-56.9171.8000109.8F129 L173 C176 L181F129-I179 HydrophobicContact CD1-CG2 4.38Å; F129-I179 HydrophobicContact CE1-CD1 4.2Å; F129-I179 HydrophobicContact CE1-CG2 3.87Å; F129-I179 HydrophobicContact CZ-CD1 4.46Å; L173-I179 HydrophobicContact CD2-CD1 3.69Å; C176-I179 HydrophobicContact CB-CB 4.36Å; C176-I179 HydrophobicContact CB-CD1 3.95Å; C176-I179 HydrophobicContact CB-CG1 4.2Å; C176-I179 PolarHBondContact O-N 3.04Å; I179-L181 HydrophobicContact CG2-CD1 4.36Å; I179-L181 HydrophobicContact CG2-CD2 3.69Å; I179-L181 HydrophobicContact CG2-CG 3.68Å
180C85Confident86.3Confident14 Ų1416.4 Ų16.410%0.0958%0.082CC..  trans5454.4174.9-1660000112.7C176 R177 M182 K1935C176-C180 PolarHBondContact O-N 3.39Å; R177-C180 WeakPolarHBondContact O-CB 3.21Å; R177-C180 PolarHBondContact O-N 2.89Å; C180-M182 VanDerWaalsContact C-N 3.28Å; C180-K1935 PolarHBondContact O-NZ 2.88Å; C180-K1935 VanDerWaalsContact SG-CE 3.6Å
181L87.6Confident86Confident18 Ų1816.4 Ų16.49%0.0948%0.082CC..SBendtrans-67.4-28.7175.1-64.5179.4000112.3I128 F129 Y133 L174 I179I128-L181 HydrophobicContact CB-CD1 4.27Å; I128-L181 HydrophobicContact CD1-CD1 4.17Å; I128-L181 HydrophobicContact CG1-CD1 4.46Å; F129-L181 HydrophobicContact CD1-CD2 4.24Å; Y133-L181 WeakPolarHBondContact CA-O 3.39Å; Y133-L181 VanDerWaalsContact CB-O 3.32Å; Y133-L181 WeakPolarHBondContact CB-O 3.28Å; L174-L181 HydrophobicContact CD2-CD1 4.22Å; I179-L181 HydrophobicContact CG2-CD1 4.36Å; I179-L181 HydrophobicContact CG2-CD2 3.69Å; I179-L181 HydrophobicContact CG2-CG 3.68Å
182M88.9Confident85.6Confident7 Ų718.5 Ų18.53%0.0349%0.093CC..SBendtrans-143.4164171.572.3179.788.600110.5N136 R137 F140 L174 C180 A184 A187N136-M182 HydrophobicContact CB-CE 4.11Å; N136-M182 WeakPolarHBondContact O-CE 3.45Å; R137-M182 HydrophobicContact CB-CE 4.48Å; R137-M182 HydrophobicContact CB-SD 4.18Å; F140-M182 HydrophobicContact CB-CE 3.96Å; F140-M182 HydrophobicContact CG-CE 4.31Å; L174-M182 HydrophobicContact CB-CE 4.48Å; L174-M182 HydrophobicContact CD2-CE 4.03Å; C180-M182 VanDerWaalsContact C-N 3.28Å; M182-A184 PolarHBondContact O-N 3.15Å; M182-A187 HydrophobicContact SD-CB 4.09Å
183P88.2Confident85.3Confident2 Ų223.1 Ų23.11%0.01311%0.109CC..  trans-56.2127.7167.1-18.828.1000110.2Y185 F186 F1936P183-Y185 PolarHBondContact O-N 3.47Å; P183-Y185 VanDerWaalsContact O-N 3.17Å; P183-F186 HydrophobicContact CB-CD2 4.18Å; P183-F186 HydrophobicContact CG-CD2 3.77Å; P183-F186 HydrophobicContact CG-CE2 3.96Å; P183-F186 PolarHBondContact O-N 2.98Å; P183-F1936 HydrophobicContact CB-CD2 4.33Å; P183-F1936 HydrophobicContact CG-CB 4.05Å; P183-F1936 HydrophobicContact CG-CD2 3.52Å; P183-F1936 HydrophobicContact CG-CE2 4Å; P183-F1936 HydrophobicContact CG-CG 3.9Å
184A89.4Confident84.6Confident14 Ų1425.7 Ų25.712%0.11612%0.123CC..Hα-helixtrans-57-35.4-179.400000111.6R177 M182 F186 A187 M188 F213 F217R177-A184 HydrophobicContact CG-CB 4.43Å; M182-A184 PolarHBondContact O-N 3.15Å; A184-F186 PolarHBondContact O-N 3.08Å; A184-A187 PolarHBondContact O-N 3.46Å; A184-M188 PolarHBondContact O-N 3.03Å; A184-F213 HydrophobicContact CB-CE2 4.34Å; A184-F213 HydrophobicContact CB-CZ 4.1Å; A184-F217 HydrophobicContact CB-CZ 3.74Å; A184-F217 WeakPolarHBondContact O-CZ 3.45Å
185Y88.3Confident83.7Confident3 Ų326.4 Ų26.41%0.01213%0.125CC..Hα-helixtrans-50.2-36.4171.9-175-93.3000114.3P183 M188 H189 H1905 Y1908 M1909P183-Y185 PolarHBondContact O-N 3.47Å; P183-Y185 VanDerWaalsContact O-N 3.17Å; Y185-M188 HydrophobicContact CD2-CE 3.57Å; Y185-M188 HydrophobicContact CE2-CE 3.67Å; Y185-M188 HydrophobicContact CG-CE 4.25Å; Y185-H189 WeakPolarHBondContact O-CB 3.42Å; Y185-H189 PolarHBondContact O-N 2.88Å; Y185-H189 VanDerWaalsContact O-N 3.09Å; Y185-H1905 HydrophobicContact CD2-CB 4.35Å; Y185-H1905 HydrophobicContact CE2-CB 3.82Å; Y185-H1905 AromaticContact CE2-ND1 3.89Å; Y185-Y1908 AromaticContact CD1-CD2 3.96Å; Y185-Y1908 HydrophobicContact CD1-CD2 3.96Å; Y185-Y1908 HydrophobicContact CE1-CD2 4.08Å; Y185-M1909 WeakPolarHBondContact OH-CE 3.21Å; Y185-M1909 WeakPolarHBondContact OH-CG 3.03Å; Y185-M1909 PolarHBondContact OH-SD 2.99Å
186F89.1Confident82.3Confident25 Ų2530.9 Ų30.911%0.1116%0.158CC..Hα-helixtrans-76.3-37.1176.5-70.9-30.3000112.7Y133 P183 A184 M188 H189 E190 Y1908Y133-F186 HydrophobicContact CD2-CD2 4.38Å; Y133-F186 HydrophobicContact CD2-CE2 4.35Å; Y133-F186 HydrophobicContact CE2-CD2 4.32Å; Y133-F186 AromaticContact CE2-CE2 3.87Å; Y133-F186 HydrophobicContact CE2-CE2 3.87Å; P183-F186 HydrophobicContact CB-CD2 4.18Å; P183-F186 HydrophobicContact CG-CD2 3.77Å; P183-F186 HydrophobicContact CG-CE2 3.96Å; P183-F186 PolarHBondContact O-N 2.98Å; A184-F186 PolarHBondContact O-N 3.08Å; F186-M188 VanDerWaalsContact C-N 3.32Å; F186-M188 PolarHBondContact O-N 3.41Å; F186-H189 PolarHBondContact O-N 3.49Å; F186-E190 WeakPolarHBondContact O-CG 3.27Å; F186-E190 PolarHBondContact O-N 2.67Å; F186-Y1908 HydrophobicContact CE1-CD2 4.16Å; F186-Y1908 HydrophobicContact CE1-CE2 4.08Å; F186-Y1908 HydrophobicContact CZ-CD2 4.28Å; F186-Y1908 HydrophobicContact CZ-CE1 4.05Å; F186-Y1908 AromaticContact CZ-CE2 3.79Å; F186-Y1908 HydrophobicContact CZ-CE2 3.79Å; F186-Y1908 AromaticContact CZ-CZ 3.68Å
187A88.3Confident80.8Confident1 Ų133.4 Ų33.41%0.00818%0.177CC..Hα-helixtrans-63.1-40173.400000111.4F140 L175 M182 A184 E190 L191 F213F140-A187 HydrophobicContact CD1-CB 4.5Å; F140-A187 HydrophobicContact CE1-CB 3.89Å; F140-A187 HydrophobicContact CZ-CB 4.13Å; L175-A187 HydrophobicContact CD2-CB 4.1Å; M182-A187 HydrophobicContact SD-CB 4.09Å; A184-A187 PolarHBondContact O-N 3.46Å; A187-E190 PolarHBondContact O-N 2.76Å; A187-L191 WeakPolarHBondContact O-CG 3.27Å; A187-L191 PolarHBondContact O-N 3.43Å; A187-F213 HydrophobicContact CB-CE1 4.02Å; A187-F213 HydrophobicContact CB-CZ 3.82Å
188M86.8Confident79.5Confident0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-58.9-48.4172.2-179.2-162.358.200112A184 Y185 F186 E190 L191 I192 F213 M214 F217 A261 M262A184-M188 PolarHBondContact O-N 3.03Å; Y185-M188 HydrophobicContact CD2-CE 3.57Å; Y185-M188 HydrophobicContact CE2-CE 3.67Å; Y185-M188 HydrophobicContact CG-CE 4.25Å; F186-M188 VanDerWaalsContact C-N 3.32Å; F186-M188 PolarHBondContact O-N 3.41Å; M188-E190 PolarHBondContact O-N 2.85Å; M188-L191 PolarHBondContact O-N 2.88Å; M188-I192 HydrophobicContact CG-CD1 4.04Å; M188-I192 PolarHBondContact O-N 3.4Å; M188-I192 VanDerWaalsContact O-N 3.08Å; M188-F213 HydrophobicContact CB-CE1 4.28Å; M188-M214 HydrophobicContact CB-CE 4.41Å; M188-M214 HydrophobicContact CB-SD 4.2Å; M188-M214 HydrophobicContact CG-CE 3.45Å; M188-M214 VanDerWaalsContact CG-CE 3.45Å; M188-M214 HydrophobicContact CG-SD 3.78Å; M188-F217 HydrophobicContact CB-CD2 4.14Å; M188-F217 HydrophobicContact CB-CE1 4.21Å; M188-F217 HydrophobicContact CB-CE2 3.75Å; M188-F217 HydrophobicContact CB-CZ 3.78Å; M188-F217 HydrophobicContact CE-CD1 4.25Å; M188-F217 HydrophobicContact CE-CE1 4.35Å; M188-F217 HydrophobicContact CG-CD1 4.4Å; M188-F217 HydrophobicContact CG-CD2 3.99Å; M188-F217 HydrophobicContact CG-CE2 4.14Å; M188-F217 HydrophobicContact CG-CG 4.13Å; M188-F217 HydrophobicContact CG-CZ 4.38Å; M188-F217 HydrophobicContact SD-CB 3.85Å; M188-F217 HydrophobicContact SD-CD1 3.38Å; M188-F217 WeakPolarHBondContact SD-CD1 3.38Å; M188-F217 HydrophobicContact SD-CD2 3.9Å; M188-F217 HydrophobicContact SD-CE1 3.86Å; M188-F217 HydrophobicContact SD-CE2 4.33Å; M188-F217 HydrophobicContact SD-CG 3.4Å; M188-F217 WeakPolarHBondContact SD-CG 3.22Å; M188-F217 HydrophobicContact SD-CZ 4.3Å; M188-A261 WeakPolarHBondContact CE-O 3.34Å; M188-M262 HydrophobicContact CE-SD 4.19Å; M188-M262 HydrophobicContact SD-SD 3.79Å
189H84.6Confident78.6Confident58 Ų5837.4 Ų37.427%0.26920%0.197SC..Hα-helixtrans-62.7-40.6-180-179.789000112.7Y185 F186 R193 A261Y185-H189 WeakPolarHBondContact O-CB 3.42Å; Y185-H189 PolarHBondContact O-N 2.88Å; Y185-H189 VanDerWaalsContact O-N 3.09Å; F186-H189 PolarHBondContact O-N 3.49Å; H189-R193 WeakPolarHBondContact O-CB 3.46Å; H189-R193 PolarHBondContact O-N 3.36Å; H189-A261 HydrophobicContact CB-CB 4.36Å; H189-A261 VanDerWaalsContact ND1-CB 3.31Å; H189-A261 WeakPolarHBondContact ND1-CB 3.3Å
190E84.4Confident77.3Confident4 Ų439.9 Ų39.92%0.01923%0.225CC..Hα-helixtrans-64.7-41.8174.9-70.2-61.6145.400112.3R137 F140 F186 A187 M188 R193 N194R137-E190 HydrophobicContact CG-CG 3.97Å; R137-E190 IonicContact CZ-OE1 3Å; R137-E190 IonicContact NE-OE1 3.88Å; R137-E190 PolarHBondContact NE-OE1 3.42Å; R137-E190 IonicContact NH2-OE1 3.92Å; R137-E190 PolarHBondContact NH2-OE1 3.26Å; F140-E190 HydrophobicContact CD1-CB 4.08Å; F140-E190 HydrophobicContact CE1-CB 4Å; F186-E190 WeakPolarHBondContact O-CG 3.27Å; F186-E190 PolarHBondContact O-N 2.67Å; A187-E190 PolarHBondContact O-N 2.76Å; M188-E190 PolarHBondContact O-N 2.85Å; E190-R193 VanDerWaalsContact CD-NH2 3.32Å; E190-R193 PolarHBondContact O-N 3.01Å; E190-R193 IonicContact OE1-CZ 2.85Å; E190-R193 IonicContact OE1-NH2 3.05Å; E190-R193 PolarHBondContact OE1-NH2 2.88Å; E190-R193 IonicContact OE2-CZ 2.83Å; E190-R193 IonicContact OE2-NE 2.71Å; E190-R193 IonicContact OE2-NH2 3.76Å; E190-R193 PolarHBondContact OE2-NH2 3.29Å; E190-N194 WeakPolarHBondContact O-CB 3.42Å; E190-N194 PolarHBondContact O-N 3.06Å
191L83.2Confident76.1Confident0 Ų045.6 Ų45.60%026%0.255CS..Hα-helixtrans-61.2-44.4176-75.1169.1000112.2F140 I144 L175 A187 M188 F195 F210 F213 M214F140-L191 HydrophobicContact CE1-CG 4.22Å; F140-L191 HydrophobicContact CZ-CD1 4.28Å; F140-L191 HydrophobicContact CZ-CD2 4.17Å; F140-L191 HydrophobicContact CZ-CG 3.99Å; I144-L191 HydrophobicContact CD1-CD2 3.67Å; I144-L191 HydrophobicContact CD1-CG 4.33Å; I144-L191 HydrophobicContact CG1-CD2 4.41Å; L175-L191 HydrophobicContact CD2-CD1 4.21Å; A187-L191 WeakPolarHBondContact O-CG 3.27Å; A187-L191 PolarHBondContact O-N 3.43Å; M188-L191 PolarHBondContact O-N 2.88Å; L191-F195 HydrophobicContact CD2-CD2 4.26Å; L191-F195 HydrophobicContact CD2-CE2 4.12Å; L191-F195 WeakPolarHBondContact O-CB 3.46Å; L191-F195 WeakPolarHBondContact O-CD2 3.36Å; L191-F195 PolarHBondContact O-N 2.91Å; L191-F210 HydrophobicContact CD1-CD1 4.43Å; L191-F210 HydrophobicContact CD2-CD1 3.95Å; L191-F210 HydrophobicContact CD2-CD2 3.85Å; L191-F210 HydrophobicContact CD2-CE1 3.8Å; L191-F210 HydrophobicContact CD2-CE2 3.73Å; L191-F210 HydrophobicContact CD2-CG 3.97Å; L191-F210 HydrophobicContact CD2-CZ 3.7Å; L191-F213 HydrophobicContact CD1-CD1 3.82Å; L191-F213 HydrophobicContact CD1-CE1 4.15Å; L191-M214 HydrophobicContact CB-SD 4.14Å; L191-M214 HydrophobicContact CD1-CG 4.38Å; L191-M214 HydrophobicContact CD1-SD 3.74Å
192I78.4Confident75Confident45 Ų4545.2 Ų45.223%0.23125%0.254CS..Hα-helixtrans-67.3-38.9178.5-69.3161.4000111.6M188 F195 M214 A261 R263M188-I192 HydrophobicContact CG-CD1 4.04Å; M188-I192 PolarHBondContact O-N 3.4Å; M188-I192 VanDerWaalsContact O-N 3.08Å; I192-F195 CarbonylContact O-C 3.57Å; I192-M214 HydrophobicContact CD1-CE 3.59Å; I192-M214 HydrophobicContact CG1-CE 3.51Å; I192-A261 HydrophobicContact CB-CB 4.4Å; I192-A261 HydrophobicContact CD1-CB 3.98Å; I192-A261 WeakPolarHBondContact CD1-O 3.36Å; I192-A261 HydrophobicContact CG2-CB 4.26Å; I192-R263 HydrophobicContact CD1-CG 3.99Å; I192-R263 HydrophobicContact CG1-CG 4.48Å
193R77.2Confident73.9Confident133 Ų13345.3 Ų45.350%0.50226%0.255SS..Hα-helixtrans-66.2-38.4179.3-174.3178.170.2172.31.5112.5N141 H189 E190N141-R193 PolarHBondContact ND2-NH2 3.25Å; H189-R193 WeakPolarHBondContact O-CB 3.46Å; H189-R193 PolarHBondContact O-N 3.36Å; E190-R193 VanDerWaalsContact CD-NH2 3.32Å; E190-R193 PolarHBondContact O-N 3.01Å; E190-R193 IonicContact OE1-CZ 2.85Å; E190-R193 IonicContact OE1-NH2 3.05Å; E190-R193 PolarHBondContact OE1-NH2 2.88Å; E190-R193 IonicContact OE2-CZ 2.83Å; E190-R193 IonicContact OE2-NE 2.71Å; E190-R193 IonicContact OE2-NH2 3.76Å; E190-R193 PolarHBondContact OE2-NH2 3.29Å
194N72.9Confident72.8Confident55 Ų5550.9 Ų50.929%0.29428%0.281SS..Hα-helixtrans-85.6-23.7-176.9-66.7-0.4000112.9N141 I144 E190N141-N194 PolarHBondContact OD1-ND2 2.68Å; I144-N194 HydrophobicContact CG2-CB 3.99Å; E190-N194 WeakPolarHBondContact O-CB 3.42Å; E190-N194 PolarHBondContact O-N 3.06Å
195F68.8Low71.7Confident22 Ų2252.5 Ų52.510%0.09629%0.286CS..  trans-126.583179-57.4-73.8000110.4I144 L191 I192 S197 F199 A202 F210I144-F195 HydrophobicContact CG2-CD2 4.37Å; I144-F195 HydrophobicContact CG2-CE2 3.39Å; I144-F195 HydrophobicContact CG2-CZ 3.58Å; L191-F195 HydrophobicContact CD2-CD2 4.26Å; L191-F195 HydrophobicContact CD2-CE2 4.12Å; L191-F195 WeakPolarHBondContact O-CB 3.46Å; L191-F195 WeakPolarHBondContact O-CD2 3.36Å; L191-F195 PolarHBondContact O-N 2.91Å; I192-F195 CarbonylContact O-C 3.57Å; F195-S197 VanDerWaalsContact C-N 3.32Å; F195-S197 PolarHBondContact O-N 3.42Å; F195-F199 HydrophobicContact CB-CD1 3.56Å; F195-F199 HydrophobicContact CB-CE1 3.97Å; F195-F199 HydrophobicContact CD1-CD1 4.24Å; F195-F199 AromaticContact CD2-CD1 3.65Å; F195-F199 HydrophobicContact CD2-CD1 3.65Å; F195-F199 AromaticContact CD2-CE1 3.72Å; F195-F199 HydrophobicContact CD2-CE1 3.72Å; F195-F199 HydrophobicContact CE2-CD1 4.33Å; F195-F199 HydrophobicContact CE2-CE1 4.45Å; F195-F199 AromaticContact CG-CD1 3.58Å; F195-F199 HydrophobicContact CG-CD1 3.58Å; F195-F199 HydrophobicContact CG-CE1 4.05Å; F195-A202 HydrophobicContact CE1-CB 3.96Å; F195-A202 HydrophobicContact CZ-CB 4.24Å; F195-F210 HydrophobicContact CD2-CE2 4.46Å; F195-F210 HydrophobicContact CE2-CD2 4.16Å; F195-F210 AromaticContact CE2-CE2 3.57Å; F195-F210 HydrophobicContact CE2-CE2 3.57Å; F195-F210 HydrophobicContact CE2-CZ 4.44Å; F195-F210 AromaticContact CZ-CE2 3.98Å; F195-F210 HydrophobicContact CZ-CE2 3.98Å
196S58Low71Confident114 Ų11452.4 Ų52.480%0.79729%0.285SS*.  trans-72.2-18.5-174.450.50000115.2
197S55.5Low70.3Confident80 Ų8053.5 Ų53.556%0.55929%0.29SS*.SBendtrans-142.1112.4-178.448.40000110.9F195 F199 G200F195-S197 VanDerWaalsContact C-N 3.32Å; F195-S197 PolarHBondContact O-N 3.42Å; S197-F199 PolarHBondContact O-N 3.39Å; S197-G200 PolarHBondContact O-N 3.23Å
198E54.9Low69.6Low179 Ų17957.1 Ų57.184%0.83631%0.313SS*.THydrogen-bonded Turntrans42.923.2168.9-63.1-156124.800119.3G200 Q207E198-G200 PolarHBondContact O-N 2.99Å; E198-G200 VanDerWaalsContact O-N 3.07Å; E198-Q207 PolarHBondContact O-NE2 3.4Å
199F59.1Low69.1Low3 Ų359.9 Ų59.91%0.01333%0.325CS..THydrogen-bonded Turntrans53.822.7-176.1-60.4-66000114.1F195 S197 D201 A202 Q207 F210 N211 M214F195-F199 HydrophobicContact CB-CD1 3.56Å; F195-F199 HydrophobicContact CB-CE1 3.97Å; F195-F199 HydrophobicContact CD1-CD1 4.24Å; F195-F199 AromaticContact CD2-CD1 3.65Å; F195-F199 HydrophobicContact CD2-CD1 3.65Å; F195-F199 AromaticContact CD2-CE1 3.72Å; F195-F199 HydrophobicContact CD2-CE1 3.72Å; F195-F199 HydrophobicContact CE2-CD1 4.33Å; F195-F199 HydrophobicContact CE2-CE1 4.45Å; F195-F199 AromaticContact CG-CD1 3.58Å; F195-F199 HydrophobicContact CG-CD1 3.58Å; F195-F199 HydrophobicContact CG-CE1 4.05Å; S197-F199 PolarHBondContact O-N 3.39Å; F199-D201 PolarHBondContact O-N 3.33Å; F199-D201 VanDerWaalsContact O-N 3.07Å; F199-A202 HydrophobicContact CB-CB 4.43Å; F199-A202 WeakPolarHBondContact O-CB 3.36Å; F199-A202 PolarHBondContact O-N 3.23Å; F199-Q207 HydrophobicContact CB-CB 4.42Å; F199-Q207 HydrophobicContact CB-CG 3.82Å; F199-Q207 HydrophobicContact CD2-CG 4.11Å; F199-Q207 HydrophobicContact CG-CG 4.33Å; F199-F210 HydrophobicContact CD1-CD2 4.03Å; F199-F210 HydrophobicContact CE1-CB 3.99Å; F199-F210 AromaticContact CE1-CD2 3.8Å; F199-F210 HydrophobicContact CE1-CD2 3.8Å; F199-F210 HydrophobicContact CE1-CG 4.28Å; F199-F210 HydrophobicContact CE2-CB 4.02Å; F199-F210 HydrophobicContact CZ-CB 3.65Å; F199-F210 HydrophobicContact CZ-CD2 4.35Å; F199-F210 HydrophobicContact CZ-CG 4.41Å; F199-N211 WeakPolarHBondContact CD2-OD1 3.34Å; F199-N211 WeakPolarHBondContact CE2-OD1 3.48Å; F199-M214 HydrophobicContact CZ-CG 4.06Å
200G55.9Low69Low61 Ų6157.1 Ų57.163%0.62931%0.313SS*.THydrogen-bonded Turntrans-60.4-26.1-16700000115.3S197 E198S197-G200 PolarHBondContact O-N 3.23Å; E198-G200 PolarHBondContact O-N 2.99Å; E198-G200 VanDerWaalsContact O-N 3.07Å
201D59Low68.7Low134 Ų13459.7 Ų59.772%0.71733%0.327SS*.THydrogen-bonded Turntrans-86.8-3.3177.5-53.6-48.7000113.6F199F199-D201 PolarHBondContact O-N 3.33Å; F199-D201 VanDerWaalsContact O-N 3.07Å
202A64.7Low68.7Low9 Ų963.9 Ų63.97%0.07435%0.345CS..SBendtrans-100.3138.7179.600000111.1F195 F199 Q204F195-A202 HydrophobicContact CE1-CB 3.96Å; F195-A202 HydrophobicContact CZ-CB 4.24Å; F199-A202 HydrophobicContact CB-CB 4.43Å; F199-A202 WeakPolarHBondContact O-CB 3.36Å; F199-A202 PolarHBondContact O-N 3.23Å; A202-Q204 PolarHBondContact O-N 2.94Å
203P65Low69Low9 Ų962.5 Ų62.56%0.05834%0.337CS..  trans-57.6139176.2-23.231.4000112.6F150 F155 F205 I206 Q207F150-P203 HydrophobicContact CB-CG 3.56Å; F150-P203 HydrophobicContact CD2-CG 4.41Å; F155-P203 HydrophobicContact CD2-CB 4.01Å; F155-P203 HydrophobicContact CD2-CG 4.42Å; F155-P203 HydrophobicContact CE1-CB 4.37Å; F155-P203 HydrophobicContact CE2-CB 3.29Å; F155-P203 HydrophobicContact CE2-CG 3.35Å; F155-P203 HydrophobicContact CZ-CB 3.5Å; F155-P203 HydrophobicContact CZ-CG 3.58Å; P203-F205 PolarHBondContact O-N 3.14Å; P203-I206 HydrophobicContact CB-CG1 4.47Å; P203-I206 HydrophobicContact CG-CD1 4.44Å; P203-I206 PolarHBondContact O-N 3.12Å; P203-Q207 PolarHBondContact O-N 3.46Å
204Q66Low69.3Low120 Ų12056.3 Ų56.356%0.56131%0.314SS*.Hα-helixtrans-48.5-32.1-173.8-160.7179.531.800114.3A202 Q207 T208A202-Q204 PolarHBondContact O-N 2.94Å; Q204-Q207 WeakPolarHBondContact O-CB 3.45Å; Q204-T208 PolarHBondContact O-N 3.22Å; Q204-T208 PolarHBondContact O-OG1 2.9Å
205F64.9Low69.8Low48 Ų4856.9 Ų56.921%0.21132%0.317CS..Hα-helixtrans-71.1-38.1177.1-62.3-55000114.5F155 P203 T208 T1671F155-F205 HydrophobicContact CB-CD2 3.93Å; F155-F205 HydrophobicContact CB-CE2 3.95Å; F155-F205 AromaticContact CD1-CD2 3.73Å; F155-F205 HydrophobicContact CD1-CD2 3.73Å; F155-F205 HydrophobicContact CE1-CD2 4.49Å; F155-F205 AromaticContact CG-CD2 3.9Å; F155-F205 HydrophobicContact CG-CD2 3.9Å; F155-F205 HydrophobicContact CG-CE2 4.4Å; P203-F205 PolarHBondContact O-N 3.14Å; F205-T208 PolarHBondContact O-N 2.73Å; F205-T1671 VanDerWaalsContact CD1-O 3.28Å; F205-T1671 WeakPolarHBondContact CD1-O 3.38Å; F205-T1671 HydrophobicContact CE1-CG2 4.15Å; F205-T1671 WeakPolarHBondContact CE1-O 3.47Å; F205-T1671 HydrophobicContact CZ-CG2 3.83Å
206I74.8Confident70.6Confident0 Ų057.7 Ų57.70%033%0.326CS..Hα-helixtrans-73.5-42.4175-47.4-167.2000109F150 F155 L168 P203 T208 E209 F210 W1673F150-I206 HydrophobicContact CD2-CD1 3.55Å; F150-I206 HydrophobicContact CE2-CD1 3.73Å; F155-I206 HydrophobicContact CZ-CD1 4.49Å; L168-I206 HydrophobicContact CD2-CD1 3.59Å; L168-I206 HydrophobicContact CD2-CG1 4.09Å; P203-I206 HydrophobicContact CB-CG1 4.47Å; P203-I206 HydrophobicContact CG-CD1 4.44Å; P203-I206 PolarHBondContact O-N 3.12Å; I206-T208 PolarHBondContact O-N 2.7Å; I206-E209 PolarHBondContact O-N 3.48Å; I206-F210 HydrophobicContact CG2-CD1 4.18Å; I206-F210 HydrophobicContact CG2-CD2 3.89Å; I206-F210 HydrophobicContact CG2-CE1 3.82Å; I206-F210 HydrophobicContact CG2-CE2 3.48Å; I206-F210 VanDerWaalsContact CG2-CE2 3.48Å; I206-F210 HydrophobicContact CG2-CG 4.23Å; I206-F210 HydrophobicContact CG2-CZ 3.44Å; I206-F210 VanDerWaalsContact CG2-CZ 3.44Å; I206-F210 WeakPolarHBondContact O-CB 3.36Å; I206-F210 WeakPolarHBondContact O-CG 3.15Å; I206-F210 PolarHBondContact O-N 2.86Å; I206-W1673 HydrophobicContact CB-CZ2 4.31Å; I206-W1673 HydrophobicContact CD1-CZ2 4.5Å; I206-W1673 HydrophobicContact CG1-CZ2 3.86Å; I206-W1673 HydrophobicContact CG2-CH2 4.41Å; I206-W1673 HydrophobicContact CG2-CZ2 4.28Å
207Q73Confident72Confident48 Ų4852.3 Ų52.322%0.22429%0.288CS..Hα-helixtrans-51.6-36.6172-175-176.944.700111.9E198 F199 P203 Q204 N211E198-Q207 PolarHBondContact O-NE2 3.4Å; F199-Q207 HydrophobicContact CB-CB 4.42Å; F199-Q207 HydrophobicContact CB-CG 3.82Å; F199-Q207 HydrophobicContact CD2-CG 4.11Å; F199-Q207 HydrophobicContact CG-CG 4.33Å; P203-Q207 PolarHBondContact O-N 3.46Å; Q204-Q207 WeakPolarHBondContact O-CB 3.45Å; Q207-N211 WeakPolarHBondContact O-CB 3.29Å; Q207-N211 PolarHBondContact O-N 3.41Å; Q207-N211 PolarHBondContact O-ND2 3.07Å
208T75.2Confident73.5Confident78 Ų7853.4 Ų53.448%0.47928%0.282SS..Hα-helixtrans-65.7-49.2178.4-57.90000113.5Q204 F205 I206 N211 K212Q204-T208 PolarHBondContact O-N 3.22Å; Q204-T208 PolarHBondContact O-OG1 2.9Å; F205-T208 PolarHBondContact O-N 2.73Å; I206-T208 PolarHBondContact O-N 2.7Å; T208-N211 PolarHBondContact O-N 2.75Å; T208-K212 WeakPolarHBondContact O-CB 3.42Å; T208-K212 PolarHBondContact O-N 3.11Å
209E74.8Confident75.1Confident57 Ų5748.4 Ų48.427%0.26626%0.256SS..Hα-helixtrans-75.7-29.2176.7-78-63140.600112.6I206 K212 F213 W1673I206-E209 PolarHBondContact O-N 3.48Å; E209-K212 PolarHBondContact O-N 3.03Å; E209-K212 IonicContact OE1-NZ 2.72Å; E209-K212 PolarHBondContact OE1-NZ 2.89Å; E209-K212 IonicContact OE2-NZ 3.27Å; E209-K212 PolarHBondContact OE2-NZ 3.34Å; E209-F213 WeakPolarHBondContact O-CB 3.21Å; E209-F213 PolarHBondContact O-N 3.4Å; E209-W1673 HydrophobicContact CB-CE3 3.94Å; E209-W1673 HydrophobicContact CB-CZ3 3.77Å; E209-W1673 HydrophobicContact CG-CD2 4.41Å; E209-W1673 HydrophobicContact CG-CE3 3.47Å; E209-W1673 VanDerWaalsContact CG-CE3 3.47Å; E209-W1673 HydrophobicContact CG-CZ3 3.79Å
210F83.1Confident76.6Confident0 Ų048.2 Ų48.20%026%0.255CS..Hα-helixtrans-61.3-48.8168.3-73.4-8.1000110.7I144 I171 L175 L191 F195 F199 I206 K212 F213 M214I144-F210 HydrophobicContact CG1-CZ 4.17Å; I171-F210 HydrophobicContact CG2-CE1 3.54Å; I171-F210 HydrophobicContact CG2-CZ 4.09Å; L175-F210 HydrophobicContact CD1-CD1 3.91Å; L175-F210 HydrophobicContact CD1-CE1 4Å; L191-F210 HydrophobicContact CD1-CD1 4.43Å; L191-F210 HydrophobicContact CD2-CD1 3.95Å; L191-F210 HydrophobicContact CD2-CD2 3.85Å; L191-F210 HydrophobicContact CD2-CE1 3.8Å; L191-F210 HydrophobicContact CD2-CE2 3.73Å; L191-F210 HydrophobicContact CD2-CG 3.97Å; L191-F210 HydrophobicContact CD2-CZ 3.7Å; F195-F210 HydrophobicContact CD2-CE2 4.46Å; F195-F210 HydrophobicContact CE2-CD2 4.16Å; F195-F210 AromaticContact CE2-CE2 3.57Å; F195-F210 HydrophobicContact CE2-CE2 3.57Å; F195-F210 HydrophobicContact CE2-CZ 4.44Å; F195-F210 AromaticContact CZ-CE2 3.98Å; F195-F210 HydrophobicContact CZ-CE2 3.98Å; F199-F210 HydrophobicContact CD1-CD2 4.03Å; F199-F210 HydrophobicContact CE1-CB 3.99Å; F199-F210 AromaticContact CE1-CD2 3.8Å; F199-F210 HydrophobicContact CE1-CD2 3.8Å; F199-F210 HydrophobicContact CE1-CG 4.28Å; F199-F210 HydrophobicContact CE2-CB 4.02Å; F199-F210 HydrophobicContact CZ-CB 3.65Å; F199-F210 HydrophobicContact CZ-CD2 4.35Å; F199-F210 HydrophobicContact CZ-CG 4.41Å; I206-F210 HydrophobicContact CG2-CD1 4.18Å; I206-F210 HydrophobicContact CG2-CD2 3.89Å; I206-F210 HydrophobicContact CG2-CE1 3.82Å; I206-F210 HydrophobicContact CG2-CE2 3.48Å; I206-F210 VanDerWaalsContact CG2-CE2 3.48Å; I206-F210 HydrophobicContact CG2-CG 4.23Å; I206-F210 HydrophobicContact CG2-CZ 3.44Å; I206-F210 VanDerWaalsContact CG2-CZ 3.44Å; I206-F210 WeakPolarHBondContact O-CB 3.36Å; I206-F210 WeakPolarHBondContact O-CG 3.15Å; I206-F210 PolarHBondContact O-N 2.86Å; F210-K212 VanDerWaalsContact C-N 3.34Å; F210-K212 PolarHBondContact O-N 2.83Å; F210-F213 PolarHBondContact O-N 3.25Å; F210-M214 WeakPolarHBondContact O-CB 3.47Å; F210-M214 WeakPolarHBondContact O-CG 3.38Å; F210-M214 PolarHBondContact O-N 2.85Å
211N79.4Confident78.1Confident59 Ų5945.4 Ų45.432%0.31623%0.226SC..Hα-helixtrans-53.9-50.1173.8-78-21.3000111F199 Q207 T208 F213 M214 D215F199-N211 WeakPolarHBondContact CD2-OD1 3.34Å; F199-N211 WeakPolarHBondContact CE2-OD1 3.48Å; Q207-N211 WeakPolarHBondContact O-CB 3.29Å; Q207-N211 PolarHBondContact O-N 3.41Å; Q207-N211 PolarHBondContact O-ND2 3.07Å; T208-N211 PolarHBondContact O-N 2.75Å; N211-F213 PolarHBondContact O-N 2.93Å; N211-M214 CarbonylContact O-C 3.57Å; N211-M214 PolarHBondContact O-N 2.98Å; N211-M214 VanDerWaalsContact O-N 3.16Å; N211-D215 WeakPolarHBondContact O-CB 3.15Å; N211-D215 PolarHBondContact O-N 3.16Å
212K81.7Confident79.5Confident87 Ų8740.1 Ų40.138%0.37820%0.196SC..Hα-helixtrans-61.9-37.9178.5-179.2172153.6-131.10114.4T208 E209 F210 S216T208-K212 WeakPolarHBondContact O-CB 3.42Å; T208-K212 PolarHBondContact O-N 3.11Å; E209-K212 PolarHBondContact O-N 3.03Å; E209-K212 IonicContact OE1-NZ 2.72Å; E209-K212 PolarHBondContact OE1-NZ 2.89Å; E209-K212 IonicContact OE2-NZ 3.27Å; E209-K212 PolarHBondContact OE2-NZ 3.34Å; F210-K212 VanDerWaalsContact C-N 3.34Å; F210-K212 PolarHBondContact O-N 2.83Å; K212-S216 PolarHBondContact O-N 3.24Å
213F85.9Confident80.8Confident17 Ų1739.7 Ų39.78%0.07519%0.192CC..Hα-helixtrans-67.1-44.8173176.4-97.7000111.2L175 A184 A187 M188 L191 E209 F210 N211 D215 S216 F217L175-F213 HydrophobicContact CB-CD2 3.98Å; L175-F213 HydrophobicContact CB-CE2 4.29Å; L175-F213 HydrophobicContact CB-CG 4.44Å; L175-F213 HydrophobicContact CD1-CB 4.36Å; L175-F213 HydrophobicContact CD1-CG 4.44Å; L175-F213 HydrophobicContact CD2-CD1 3.74Å; L175-F213 HydrophobicContact CD2-CD2 3.92Å; L175-F213 HydrophobicContact CD2-CE1 3.8Å; L175-F213 HydrophobicContact CD2-CE2 3.98Å; L175-F213 HydrophobicContact CD2-CG 3.8Å; L175-F213 HydrophobicContact CD2-CZ 3.92Å; L175-F213 HydrophobicContact CG-CD2 4.44Å; L175-F213 HydrophobicContact CG-CG 4.46Å; L175-F213 WeakPolarHBondContact O-CE2 3.21Å; A184-F213 HydrophobicContact CB-CE2 4.34Å; A184-F213 HydrophobicContact CB-CZ 4.1Å; A187-F213 HydrophobicContact CB-CE1 4.02Å; A187-F213 HydrophobicContact CB-CZ 3.82Å; M188-F213 HydrophobicContact CB-CE1 4.28Å; L191-F213 HydrophobicContact CD1-CD1 3.82Å; L191-F213 HydrophobicContact CD1-CE1 4.15Å; E209-F213 WeakPolarHBondContact O-CB 3.21Å; E209-F213 PolarHBondContact O-N 3.4Å; F210-F213 PolarHBondContact O-N 3.25Å; N211-F213 PolarHBondContact O-N 2.93Å; F213-D215 VanDerWaalsContact C-N 3.3Å; F213-D215 PolarHBondContact O-N 3.05Å; F213-S216 WeakPolarHBondContact O-CB 3.27Å; F213-S216 PolarHBondContact O-N 2.89Å; F213-S216 PolarHBondContact O-OG 2.97Å; F213-F217 HydrophobicContact CD1-CE2 4.19Å; F213-F217 AromaticContact CE1-CE2 3.61Å; F213-F217 HydrophobicContact CE1-CE2 3.61Å; F213-F217 HydrophobicContact CE1-CZ 4.34Å; F213-F217 HydrophobicContact CE2-CE2 4.32Å; F213-F217 AromaticContact CZ-CE2 3.68Å; F213-F217 HydrophobicContact CZ-CE2 3.68Å; F213-F217 HydrophobicContact CZ-CZ 4.12Å; F213-F217 WeakPolarHBondContact O-CD2 3.38Å
214M82.8Confident82Confident2 Ų239.6 Ų39.61%0.0119%0.192CC..Hα-helixtrans-66.7-31.9177.9-62.8-57.3-75.500112.2M188 L191 I192 F199 F210 N211 S216 F217 R263M188-M214 HydrophobicContact CB-CE 4.41Å; M188-M214 HydrophobicContact CB-SD 4.2Å; M188-M214 HydrophobicContact CG-CE 3.45Å; M188-M214 VanDerWaalsContact CG-CE 3.45Å; M188-M214 HydrophobicContact CG-SD 3.78Å; L191-M214 HydrophobicContact CB-SD 4.14Å; L191-M214 HydrophobicContact CD1-CG 4.38Å; L191-M214 HydrophobicContact CD1-SD 3.74Å; I192-M214 HydrophobicContact CD1-CE 3.59Å; I192-M214 HydrophobicContact CG1-CE 3.51Å; F199-M214 HydrophobicContact CZ-CG 4.06Å; F210-M214 WeakPolarHBondContact O-CB 3.47Å; F210-M214 WeakPolarHBondContact O-CG 3.38Å; F210-M214 PolarHBondContact O-N 2.85Å; N211-M214 CarbonylContact O-C 3.57Å; N211-M214 PolarHBondContact O-N 2.98Å; N211-M214 VanDerWaalsContact O-N 3.16Å; M214-S216 PolarHBondContact O-N 2.83Å; M214-F217 WeakPolarHBondContact O-CB 3.45Å; M214-F217 PolarHBondContact O-N 3.43Å; M214-R263 HydrophobicContact CE-CG 3.85Å; M214-R263 VanDerWaalsContact CE-NE 3.32Å
215D82.8Confident83Confident68 Ų6834.4 Ų34.436%0.36417%0.167SC..Hα-helixtrans-63.3-29.1174.6-75.1-24.7000112.2N211 F213 F217 K218N211-D215 WeakPolarHBondContact O-CB 3.15Å; N211-D215 PolarHBondContact O-N 3.16Å; F213-D215 VanDerWaalsContact C-N 3.3Å; F213-D215 PolarHBondContact O-N 3.05Å; D215-F217 PolarHBondContact O-N 3.49Å; D215-F217 VanDerWaalsContact O-N 3.16Å; D215-K218 HydrophobicContact CB-CD 4.26Å; D215-K218 VanDerWaalsContact O-CB 3.29Å; D215-K218 WeakPolarHBondContact O-CB 3.32Å; D215-K218 PolarHBondContact O-N 2.94Å; D215-K218 WeakPolarHBondContact OD1-CE 3.26Å; D215-K218 IonicContact OD1-NZ 2.76Å; D215-K218 PolarHBondContact OD1-NZ 3.47Å; D215-K218 IonicContact OD2-NZ 3.67Å
216S85.6Confident83.9Confident39 Ų3932.1 Ų32.127%0.27316%0.157SC..THydrogen-bonded Turntrans-61.6-22.5172.976.50000113.1R177 K212 F213 M214 P220R177-S216 PolarHBondContact NE-OG 3Å; R177-S216 PolarHBondContact NH2-OG 3.28Å; K212-S216 PolarHBondContact O-N 3.24Å; F213-S216 WeakPolarHBondContact O-CB 3.27Å; F213-S216 PolarHBondContact O-N 2.89Å; F213-S216 PolarHBondContact O-OG 2.97Å; M214-S216 PolarHBondContact O-N 2.83Å; S216-P220 WeakPolarHBondContact O-CD 3.1Å
217F87.9Confident84.3Confident1 Ų138 Ų380%0.00418%0.179CC..THydrogen-bonded Turntrans-84.9-7.6175.3-67.1-87.8000114.1A184 M188 F213 M214 D215 R219 P220 A221 M262 D1901A184-F217 HydrophobicContact CB-CZ 3.74Å; A184-F217 WeakPolarHBondContact O-CZ 3.45Å; M188-F217 HydrophobicContact CB-CD2 4.14Å; M188-F217 HydrophobicContact CB-CE1 4.21Å; M188-F217 HydrophobicContact CB-CE2 3.75Å; M188-F217 HydrophobicContact CB-CZ 3.78Å; M188-F217 HydrophobicContact CE-CD1 4.25Å; M188-F217 HydrophobicContact CE-CE1 4.35Å; M188-F217 HydrophobicContact CG-CD1 4.4Å; M188-F217 HydrophobicContact CG-CD2 3.99Å; M188-F217 HydrophobicContact CG-CE2 4.14Å; M188-F217 HydrophobicContact CG-CG 4.13Å; M188-F217 HydrophobicContact CG-CZ 4.38Å; M188-F217 HydrophobicContact SD-CB 3.85Å; M188-F217 HydrophobicContact SD-CD1 3.38Å; M188-F217 WeakPolarHBondContact SD-CD1 3.38Å; M188-F217 HydrophobicContact SD-CD2 3.9Å; M188-F217 HydrophobicContact SD-CE1 3.86Å; M188-F217 HydrophobicContact SD-CE2 4.33Å; M188-F217 HydrophobicContact SD-CG 3.4Å; M188-F217 WeakPolarHBondContact SD-CG 3.22Å; M188-F217 HydrophobicContact SD-CZ 4.3Å; F213-F217 HydrophobicContact CD1-CE2 4.19Å; F213-F217 AromaticContact CE1-CE2 3.61Å; F213-F217 HydrophobicContact CE1-CE2 3.61Å; F213-F217 HydrophobicContact CE1-CZ 4.34Å; F213-F217 HydrophobicContact CE2-CE2 4.32Å; F213-F217 AromaticContact CZ-CE2 3.68Å; F213-F217 HydrophobicContact CZ-CE2 3.68Å; F213-F217 HydrophobicContact CZ-CZ 4.12Å; F213-F217 WeakPolarHBondContact O-CD2 3.38Å; M214-F217 WeakPolarHBondContact O-CB 3.45Å; M214-F217 PolarHBondContact O-N 3.43Å; D215-F217 PolarHBondContact O-N 3.49Å; D215-F217 VanDerWaalsContact O-N 3.16Å; F217-R219 VanDerWaalsContact C-N 3.26Å; F217-R219 PolarHBondContact O-N 3.34Å; F217-P220 HydrophobicContact CB-CG 4.41Å; F217-P220 HydrophobicContact CD1-CG 4.23Å; F217-P220 VanDerWaalsContact O-CD 3.23Å; F217-P220 WeakPolarHBondContact O-CD 3.43Å; F217-P220 WeakPolarHBondContact O-CG 3.36Å; F217-A221 WeakPolarHBondContact O-CB 3.44Å; F217-A221 PolarHBondContact O-N 2.98Å; F217-M262 HydrophobicContact CB-SD 3.94Å; F217-M262 HydrophobicContact CD1-CE 4.49Å; F217-M262 HydrophobicContact CD1-SD 4.09Å; F217-M262 HydrophobicContact CG-SD 4.44Å; F217-D1901 HydrophobicContact CD1-CB 4.47Å; F217-D1901 HydrophobicContact CE1-CB 4.16Å; F217-D1901 WeakPolarHBondContact CE1-OD2 3.35Å
218K86.9Confident84.8Confident102 Ų10236 Ų3644%0.44317%0.17SC..Hα-helixtrans-59.7-36.7173.6-72172165.41640112D215 R222 L1729D215-K218 HydrophobicContact CB-CD 4.26Å; D215-K218 VanDerWaalsContact O-CB 3.29Å; D215-K218 WeakPolarHBondContact O-CB 3.32Å; D215-K218 PolarHBondContact O-N 2.94Å; D215-K218 WeakPolarHBondContact OD1-CE 3.26Å; D215-K218 IonicContact OD1-NZ 2.76Å; D215-K218 PolarHBondContact OD1-NZ 3.47Å; D215-K218 IonicContact OD2-NZ 3.67Å; K218-R222 VanDerWaalsContact O-CB 3.31Å; K218-R222 WeakPolarHBondContact O-CB 3.45Å; K218-R222 PolarHBondContact O-N 3Å; K218-L1729 HydrophobicContact CB-CD1 3.95Å; K218-L1729 HydrophobicContact CB-CD2 4.42Å
219R89.5Confident85.3Confident74 Ų7432.6 Ų32.628%0.27915%0.149SC..Hα-helixtrans-62.8-56.3177-63.7-179.9-175.6176.81.6112.8F217 A221 R222 L223 F1723 L1729 T1898F217-R219 VanDerWaalsContact C-N 3.26Å; F217-R219 PolarHBondContact O-N 3.34Å; R219-A221 VanDerWaalsContact C-N 3.33Å; R219-A221 PolarHBondContact O-N 2.89Å; R219-R222 PolarHBondContact O-N 3.38Å; R219-L223 PolarHBondContact O-N 2.79Å; R219-F1723 HydrophobicContact CB-CD1 4.39Å; R219-F1723 HydrophobicContact CB-CD2 4.08Å; R219-F1723 HydrophobicContact CB-CE1 4.29Å; R219-F1723 HydrophobicContact CB-CE2 4Å; R219-F1723 HydrophobicContact CB-CG 4.28Å; R219-F1723 HydrophobicContact CB-CZ 4.1Å; R219-F1723 HydrophobicContact CG-CB 4.28Å; R219-F1723 HydrophobicContact CG-CD1 4.4Å; R219-F1723 HydrophobicContact CG-CD2 3.85Å; R219-F1723 HydrophobicContact CG-CE2 4.28Å; R219-F1723 HydrophobicContact CG-CG 3.92Å; R219-F1723 WeakPolarHBondContact O-CE1 3.32Å; R219-L1729 HydrophobicContact CG-CD1 4.09Å; R219-L1729 HydrophobicContact CG-CD2 4.31Å; R219-T1898 HydrophobicContact CB-CG2 3.97Å
220P89.8Confident85.7Confident0 Ų031.4 Ų31.40%014%0.143CC..Hα-helixtrans-68.1-30.4176.125.6-34.2000112.8S216 F217 L223 L224 M262 T1898 D1901 L1902S216-P220 WeakPolarHBondContact O-CD 3.1Å; F217-P220 HydrophobicContact CB-CG 4.41Å; F217-P220 HydrophobicContact CD1-CG 4.23Å; F217-P220 VanDerWaalsContact O-CD 3.23Å; F217-P220 WeakPolarHBondContact O-CD 3.43Å; F217-P220 WeakPolarHBondContact O-CG 3.36Å; P220-L223 PolarHBondContact O-N 3.4Å; P220-L224 WeakPolarHBondContact O-CG 3.34Å; P220-L224 PolarHBondContact O-N 2.82Å; P220-M262 HydrophobicContact CB-CE 3.99Å; P220-M262 HydrophobicContact CG-CE 4.11Å; P220-T1898 HydrophobicContact CB-CG2 4.15Å; P220-D1901 HydrophobicContact CB-CB 4.29Å; P220-D1901 HydrophobicContact CG-CB 4.09Å; P220-L1902 HydrophobicContact CB-CB 4.48Å
221A88.3Confident85.7Confident2 Ų233.7 Ų33.72%0.01716%0.162CC..Hα-helixtrans-60.5-46.7171.300000111.4F217 R219 L223 L224 Y225 M262F217-A221 WeakPolarHBondContact O-CB 3.44Å; F217-A221 PolarHBondContact O-N 2.98Å; R219-A221 VanDerWaalsContact C-N 3.33Å; R219-A221 PolarHBondContact O-N 2.89Å; A221-L223 PolarHBondContact O-N 3.39Å; A221-L223 VanDerWaalsContact O-N 3.14Å; A221-L224 WeakPolarHBondContact O-CA 3.48Å; A221-L224 WeakPolarHBondContact O-CB 3.49Å; A221-L224 PolarHBondContact O-N 2.86Å; A221-Y225 HydrophobicContact CB-CE1 4.4Å; A221-Y225 WeakPolarHBondContact O-CD1 3.33Å; A221-Y225 VanDerWaalsContact O-CE1 3.3Å; A221-Y225 WeakPolarHBondContact O-CE1 3.42Å; A221-Y225 PolarHBondContact O-N 2.74Å; A221-M262 HydrophobicContact CB-CG 3.73Å; A221-M262 HydrophobicContact CB-SD 4.17Å
222R88.3Confident86.1Confident22 Ų2231 Ų318%0.08315%0.148CC..Hα-helixtrans-59.9-25.4-179.5-174.362.5-176.394.8-1.5114.1K218 R219 Y225 F1723 L1727 P1728 L1729 Y1823K218-R222 VanDerWaalsContact O-CB 3.31Å; K218-R222 WeakPolarHBondContact O-CB 3.45Å; K218-R222 PolarHBondContact O-N 3Å; R219-R222 PolarHBondContact O-N 3.38Å; R222-Y225 WeakPolarHBondContact CD-OH 3.3Å; R222-Y225 PolarHBondContact NH1-O 3.15Å; R222-F1723 HydrophobicContact CB-CE1 4.44Å; R222-L1727 HydrophobicContact CG-CD2 4.15Å; R222-L1727 HydrophobicContact CG-CG 4.16Å; R222-P1728 PolarHBondContact NE-O 3.16Å; R222-L1729 HydrophobicContact CB-CD2 3.68Å; R222-L1729 HydrophobicContact CG-CD2 3.99Å; R222-Y1823 PolarHBondContact NH1-OH 3.11Å
223L91.2Very high86.4Confident0 Ų028.3 Ų28.30%014%0.138CC..Hα-helixtrans-77.8-30171.9-61.4179.2000112.7R219 P220 A221 F1722 F1723 L1727 L1819 F1822 P1827 T1898 L1902R219-L223 PolarHBondContact O-N 2.79Å; P220-L223 PolarHBondContact O-N 3.4Å; A221-L223 PolarHBondContact O-N 3.39Å; A221-L223 VanDerWaalsContact O-N 3.14Å; L223-F1722 HydrophobicContact CD2-CE1 4.49Å; L223-F1723 HydrophobicContact CD1-CZ 4.08Å; L223-F1723 HydrophobicContact CD2-CE1 3.92Å; L223-F1723 HydrophobicContact CD2-CZ 3.98Å; L223-F1723 HydrophobicContact CG-CE1 4.05Å; L223-F1723 HydrophobicContact CG-CZ 3.96Å; L223-L1727 HydrophobicContact CD2-CD2 3.94Å; L223-L1819 HydrophobicContact CD1-CD2 4.08Å; L223-L1819 WeakPolarHBondContact CD2-O 3.28Å; L223-F1822 HydrophobicContact CD1-CB 4.27Å; L223-P1827 WeakPolarHBondContact O-CD 3.39Å; L223-T1898 HydrophobicContact CD1-CG2 3.95Å; L223-L1902 HydrophobicContact CB-CD2 4.41Å; L223-L1902 HydrophobicContact CD1-CD2 3.89Å
224L89.2Confident86.6Confident8 Ų827.5 Ų27.54%0.04214%0.135CC..Hα-helixtrans-81.2-16.9-176-75.2163.9000114.7P220 A221 M262 Y264 A1826 P1827 L1902 H1905P220-L224 WeakPolarHBondContact O-CG 3.34Å; P220-L224 PolarHBondContact O-N 2.82Å; A221-L224 WeakPolarHBondContact O-CA 3.48Å; A221-L224 WeakPolarHBondContact O-CB 3.49Å; A221-L224 PolarHBondContact O-N 2.86Å; L224-M262 HydrophobicContact CD1-CE 3.56Å; L224-M262 HydrophobicContact CD1-CG 4.13Å; L224-Y264 HydrophobicContact CB-CE1 4.09Å; L224-A1826 HydrophobicContact CD2-CB 4.26Å; L224-P1827 WeakPolarHBondContact O-CA 3.21Å; L224-L1902 HydrophobicContact CD1-CD1 4.18Å; L224-L1902 HydrophobicContact CD2-CD1 3.61Å; L224-L1902 HydrophobicContact CG-CD1 3.65Å; L224-H1905 HydrophobicContact CD1-CB 4.45Å
225Y87.2Confident86.8Confident10 Ų1027.4 Ų27.44%0.03913%0.134CC..  trans-130.7153.1176.173-87.6000111.8A221 R222 Y264 P265 F267 L268 D1730 Y1823A221-Y225 HydrophobicContact CB-CE1 4.4Å; A221-Y225 WeakPolarHBondContact O-CD1 3.33Å; A221-Y225 VanDerWaalsContact O-CE1 3.3Å; A221-Y225 WeakPolarHBondContact O-CE1 3.42Å; A221-Y225 PolarHBondContact O-N 2.74Å; R222-Y225 WeakPolarHBondContact CD-OH 3.3Å; R222-Y225 PolarHBondContact NH1-O 3.15Å; Y225-Y264 HydrophobicContact CD1-CD1 4.09Å; Y225-P265 HydrophobicContact CD1-CG 4.47Å; Y225-P265 HydrophobicContact CD2-CG 4.43Å; Y225-P265 HydrophobicContact CE1-CG 3.8Å; Y225-P265 HydrophobicContact CE2-CG 3.72Å; Y225-P265 WeakPolarHBondContact OH-CG 3.45Å; Y225-F267 HydrophobicContact CD2-CZ 4.27Å; Y225-F267 HydrophobicContact CE2-CE1 4.44Å; Y225-F267 HydrophobicContact CE2-CZ 4.42Å; Y225-L268 HydrophobicContact CD2-CD1 4.17Å; Y225-L268 HydrophobicContact CG-CD1 3.9Å; Y225-D1730 VanDerWaalsContact OH-CG 3.25Å; Y225-D1730 PolarHBondContact OH-OD2 2.92Å; Y225-Y1823 WeakPolarHBondContact O-CE2 3.4Å
226S84.7Confident86.8Confident0 Ų024.1 Ų24.10%012%0.117CC..  trans-123127.4168.1168.80000109.5V228 Y229 H230 H1786 Y1823S226-V228 PolarHBondContact O-N 3.28Å; S226-V228 PolarHBondContact OG-N 2.69Å; S226-Y229 PolarHBondContact O-N 2.99Å; S226-Y229 PolarHBondContact OG-N 2.68Å; S226-H230 PolarHBondContact O-CD2 2.82Å; S226-H230 VanDerWaalsContact O-CD2 3.23Å; S226-H230 PolarHBondContact O-N 3.38Å; S226-H1786 WeakPolarHBondContact CB-ND1 3.05Å; S226-H1786 PolarHBondContact OG-ND1 3.48Å; S226-Y1823 PolarHBondContact OG-OH 3.33Å
227R82Confident86.3Confident123 Ų12322.3 Ų22.346%0.46410%0.104SC..Hα-helixtrans-58.6-32.1177.3-172.4174.7-177.8167.81.2111.4A231 F267R227-A231 WeakPolarHBondContact O-CB 3.49Å; R227-A231 PolarHBondContact O-N 3.42Å; R227-F267 HydrophobicContact CB-CZ 4.41Å; R227-F267 HydrophobicContact CG-CZ 4.26Å
228V84.5Confident85.9Confident8 Ų823.3 Ų23.35%0.04811%0.109CC..Hα-helixtrans-70.9-54.2174179.90000110.1S226 H230 A231 M232 L1608 N1783S226-V228 PolarHBondContact O-N 3.28Å; S226-V228 PolarHBondContact OG-N 2.69Å; V228-H230 VanDerWaalsContact C-N 3.26Å; V228-H230 PolarHBondContact O-N 3.07Å; V228-H230 VanDerWaalsContact O-N 3.14Å; V228-A231 PolarHBondContact O-N 3.06Å; V228-M232 HydrophobicContact CG1-CE 3.68Å; V228-M232 HydrophobicContact CG1-SD 4.08Å; V228-M232 WeakPolarHBondContact O-CE 3.44Å; V228-M232 WeakPolarHBondContact O-CG 3.29Å; V228-M232 PolarHBondContact O-N 3.34Å; V228-L1608 HydrophobicContact CG1-CD1 4.09Å; V228-L1608 HydrophobicContact CG2-CD1 4.26Å; V228-N1783 HydrophobicContact CG2-CB 3.99Å; V228-N1783 WeakPolarHBondContact CG2-OD1 3.4Å
229Y85.4Confident85.6Confident5 Ų518.6 Ų18.62%0.029%0.089CC..Hα-helixtrans-50.8-43.1-176.8-173.9-106.3000113.6S226 N245 H1786 W1789 A1790 P1827 L1828 S1831S226-Y229 PolarHBondContact O-N 2.99Å; S226-Y229 PolarHBondContact OG-N 2.68Å; Y229-N245 HydrophobicContact CE1-CB 3.93Å; Y229-H1786 WeakPolarHBondContact CD2-O 3.41Å; Y229-W1789 HydrophobicContact CE2-CB 4.41Å; Y229-W1789 WeakPolarHBondContact CE2-O 3.33Å; Y229-A1790 HydrophobicContact CD2-CB 3.8Å; Y229-A1790 HydrophobicContact CE2-CB 4Å; Y229-P1827 HydrophobicContact CD1-CB 4.37Å; Y229-L1828 HydrophobicContact CD2-CD2 3.81Å; Y229-L1828 HydrophobicContact CE2-CD2 3.29Å; Y229-S1831 PolarHBondContact OH-OG 3.05Å
230H83.3Confident84.7Confident32 Ų3216.9 Ų16.915%0.1489%0.089CC..Hα-helixtrans-89.3-9.2-178.2-60-71.7000114.8S226 V228 F267 L268S226-H230 PolarHBondContact O-CD2 2.82Å; S226-H230 VanDerWaalsContact O-CD2 3.23Å; S226-H230 PolarHBondContact O-N 3.38Å; V228-H230 VanDerWaalsContact C-N 3.26Å; V228-H230 PolarHBondContact O-N 3.07Å; V228-H230 VanDerWaalsContact O-N 3.14Å; H230-F267 HydrophobicContact CB-CE2 4.41Å; H230-L268 HydrophobicContact CB-CD2 3.51Å
231A83.1Confident83.7Confident49 Ų4918.9 Ų18.941%0.40510%0.099SC..Hα-helixtrans-99.9-5.2178.300000114R227 V228R227-A231 WeakPolarHBondContact O-CB 3.49Å; R227-A231 PolarHBondContact O-N 3.42Å; V228-A231 PolarHBondContact O-N 3.06Å
232M88.3Confident82.5Confident3 Ų320.5 Ų20.52%0.01511%0.11CC..PPolyproline II helixtrans-61.7141.2172.1-62.2-55.884.400110.2V228 Y246 N1609 S1787 A1790V228-M232 HydrophobicContact CG1-CE 3.68Å; V228-M232 HydrophobicContact CG1-SD 4.08Å; V228-M232 WeakPolarHBondContact O-CE 3.44Å; V228-M232 WeakPolarHBondContact O-CG 3.29Å; V228-M232 PolarHBondContact O-N 3.34Å; M232-Y246 WeakPolarHBondContact O-CE1 3.21Å; M232-N1609 WeakPolarHBondContact CA-OD1 3.42Å; M232-N1609 VanDerWaalsContact CB-OD1 3.28Å; M232-N1609 WeakPolarHBondContact CB-OD1 3.47Å; M232-N1609 HydrophobicContact CE-CB 4.21Å; M232-N1609 WeakPolarHBondContact SD-CA 3.24Å; M232-N1609 HydrophobicContact SD-CB 3.68Å; M232-S1787 PolarHBondContact SD-OG 3.34Å; M232-A1790 HydrophobicContact CB-CB 3.94Å; M232-A1790 HydrophobicContact CG-CB 3.63Å
233T88.7Confident81.8Confident29 Ų2920 Ų2018%0.17811%0.111CC..PPolyproline II helixtrans-103.3132.6176.965.90000110.1N1542 N1609T233-N1542 PolarHBondContact OG1-ND2 2.71Å; T233-N1609 PolarHBondContact N-ND2 3.03Å; T233-N1609 PolarHBondContact N-OD1 2.94Å; T233-N1609 PolarHBondContact O-ND2 3.33Å; T233-N1609 VanDerWaalsContact O-ND2 3.13Å; T233-N1609 PolarHBondContact O-OD1 2.84Å; T233-N1609 PolarHBondContact OG1-ND2 2.93Å
234P88.9Confident80.9Confident0 Ų020.3 Ų20.30%011%0.113CC..PPolyproline II helixtrans-71.9156.8-17932-35.7000111.8T239 Y246 L275 V279 Q282 L288 M292P234-T239 WeakPolarHBondContact CA-OG1 3.19Å; P234-T239 HydrophobicContact CB-CG2 3.83Å; P234-T239 WeakPolarHBondContact CB-OG1 3.4Å; P234-Y246 HydrophobicContact CB-CD1 4.23Å; P234-Y246 HydrophobicContact CB-CD2 4.03Å; P234-Y246 HydrophobicContact CB-CE1 4.16Å; P234-Y246 HydrophobicContact CB-CE2 3.95Å; P234-Y246 HydrophobicContact CB-CG 4.17Å; P234-Y246 HydrophobicContact CG-CD1 4Å; P234-Y246 HydrophobicContact CG-CE1 4.2Å; P234-Y246 HydrophobicContact CG-CG 4.18Å; P234-L275 HydrophobicContact CG-CD1 4.43Å; P234-V279 HydrophobicContact CG-CG2 3.68Å; P234-Q282 PolarHBondContact O-NE2 3.07Å; P234-L288 HydrophobicContact CB-CD2 4.26Å; P234-L288 HydrophobicContact CG-CD2 4.45Å; P234-M292 HydrophobicContact CG-SD 4.36Å
235F88.2Confident80.4Confident0 Ų020.6 Ų20.60%011%0.114CC..  trans-116.7120.9179.1-63.9-74.4000109.8G237 I238 T239 Q1566 L1570 N1609 I1610 A1613 H1791F235-G237 PolarHBondContact O-N 2.85Å; F235-G237 VanDerWaalsContact O-N 3.11Å; F235-I238 HydrophobicContact CB-CB 4.29Å; F235-I238 HydrophobicContact CB-CD1 3.98Å; F235-I238 PolarHBondContact O-N 3.33Å; F235-T239 PolarHBondContact N-OG1 3.23Å; F235-T239 VanDerWaalsContact N-OG1 3.07Å; F235-T239 PolarHBondContact O-N 3.06Å; F235-T239 VanDerWaalsContact O-N 3.1Å; F235-T239 PolarHBondContact O-OG1 2.66Å; F235-Q1566 HydrophobicContact CD1-CB 3.79Å; F235-Q1566 HydrophobicContact CD1-CG 4.4Å; F235-Q1566 HydrophobicContact CE1-CB 4.05Å; F235-Q1566 HydrophobicContact CE1-CG 4.4Å; F235-L1570 HydrophobicContact CD1-CD1 4.21Å; F235-L1570 HydrophobicContact CD2-CD1 3.94Å; F235-L1570 HydrophobicContact CE1-CD1 4.38Å; F235-L1570 HydrophobicContact CE2-CD1 4.12Å; F235-L1570 HydrophobicContact CG-CD1 3.98Å; F235-L1570 HydrophobicContact CZ-CD1 4.33Å; F235-N1609 WeakPolarHBondContact CZ-ND2 3.25Å; F235-I1610 HydrophobicContact CZ-CG1 3.96Å; F235-A1613 HydrophobicContact CD2-CB 4Å; F235-A1613 HydrophobicContact CE2-CB 3.82Å; F235-H1791 AromaticContact CD2-CE1 3.84Å; F235-H1791 AromaticContact CE2-CE1 3.9Å
236C82.6Confident80.3Confident0 Ų020.4 Ų20.40%011%0.114CC..THydrogen-bonded Turntrans-61.2112.3178.2-62.50000110Q282 S285 L288 Y862 V1563 C1564 T1567C236-Q282 HydrophobicContact CB-CB 4.44Å; C236-Q282 PolarHBondContact SG-OE1 3.35Å; C236-S285 VanDerWaalsContact SG-CB 3.58Å; C236-L288 HydrophobicContact CB-CD2 4.5Å; C236-Y862 WeakPolarHBondContact CA-OH 3.47Å; C236-V1563 HydrophobicContact CB-CG1 3.92Å; C236-V1563 WeakPolarHBondContact O-CB 3.32Å; C236-C1564 PolarHBondContact O-SG 3.47Å; C236-T1567 WeakPolarHBondContact O-CG2 3.31Å
237G74.1Confident80.3Confident0 Ų023 Ų230%012%0.124CC..THydrogen-bonded Turntrans101.96.8-177.400000114.8F235 I861 Y862 Y1571F235-G237 PolarHBondContact O-N 2.85Å; F235-G237 VanDerWaalsContact O-N 3.11Å; G237-I861 VanDerWaalsContact C-CD1 3.43Å; G237-I861 WeakPolarHBondContact O-CD1 3.26Å; G237-Y862 PolarHBondContact N-OH 2.94Å; G237-Y1571 PolarHBondContact O-OH 2.98Å
238I80.8Confident80.5Confident22 Ų2217.2 Ų17.211%0.11310%0.102CC..THydrogen-bonded Turntrans-127.8-47.7168.1-65.8157.5000110.3F235 T1567 L1570 I1617F235-I238 HydrophobicContact CB-CB 4.29Å; F235-I238 HydrophobicContact CB-CD1 3.98Å; F235-I238 PolarHBondContact O-N 3.33Å; I238-T1567 HydrophobicContact CD1-CG2 3.71Å; I238-T1567 HydrophobicContact CG1-CG2 3.89Å; I238-L1570 HydrophobicContact CD1-CB 4.07Å; I238-L1570 HydrophobicContact CD1-CD1 3.32Å; I238-L1570 HydrophobicContact CD1-CG 4.3Å; I238-I1617 HydrophobicContact CD1-CD1 3.57Å; I238-I1617 HydrophobicContact CG1-CD1 4.03Å; I238-I1617 HydrophobicContact CG2-CD1 4.1Å; I238-I1617 HydrophobicContact CG2-CG1 4.09Å
239T79.3Confident80.2Confident4 Ų418.8 Ų18.83%0.02511%0.11CC..SBendtrans-69.2131.9-178.8-52.70000111.2P234 F235 A243 Y246 L288 I861P234-T239 WeakPolarHBondContact CA-OG1 3.19Å; P234-T239 HydrophobicContact CB-CG2 3.83Å; P234-T239 WeakPolarHBondContact CB-OG1 3.4Å; F235-T239 PolarHBondContact N-OG1 3.23Å; F235-T239 VanDerWaalsContact N-OG1 3.07Å; F235-T239 PolarHBondContact O-N 3.06Å; F235-T239 VanDerWaalsContact O-N 3.1Å; F235-T239 PolarHBondContact O-OG1 2.66Å; T239-A243 HydrophobicContact CG2-CB 3.77Å; T239-Y246 HydrophobicContact CG2-CD2 3.58Å; T239-Y246 HydrophobicContact CG2-CE2 3.59Å; T239-L288 HydrophobicContact CG2-CD1 4.42Å; T239-I861 WeakPolarHBondContact O-CG2 3.34Å
240S71.2Confident79.9Confident38 Ų3819.4 Ų19.427%0.26612%0.115SC..  trans-58.1139.5175.5179.80000111.9S242 A243S240-S242 PolarHBondContact O-N 3.5Å; S240-S242 PolarHBondContact OG-N 2.9Å; S240-S242 PolarHBondContact OG-OG 3.26Å; S240-A243 WeakPolarHBondContact O-CB 3.49Å; S240-A243 PolarHBondContact O-N 2.92Å; S240-A243 VanDerWaalsContact O-N 3.07Å
241L68.7Low79.6Confident42 Ų4222 Ų2222%0.2214%0.137CC..THydrogen-bonded Turntrans-56.4-29.2170.8-72.6-175.9000113.5E287 L288 G291 Y862L241-E287 VanDerWaalsContact CD2-C 3.41Å; L241-E287 HydrophobicContact CD2-CB 3.92Å; L241-E287 WeakPolarHBondContact CD2-O 3.34Å; L241-L288 HydrophobicContact CD2-CB 4.43Å; L241-G291 WeakPolarHBondContact O-CA 3.47Å; L241-Y862 HydrophobicContact CD1-CD1 4.03Å; L241-Y862 HydrophobicContact CD2-CD1 3.65Å; L241-Y862 HydrophobicContact CD2-CE1 3.76Å; L241-Y862 HydrophobicContact CG-CD1 3.84Å; L241-Y862 HydrophobicContact CG-CE1 4.33Å
242S64Low79.4Confident35 Ų3523.1 Ų23.125%0.24514%0.136CC..THydrogen-bonded Turntrans-82.8-10.4-179.965.80000113.9S240 P244 R247 E1835S240-S242 PolarHBondContact O-N 3.5Å; S240-S242 PolarHBondContact OG-N 2.9Å; S240-S242 PolarHBondContact OG-OG 3.26Å; S242-P244 VanDerWaalsContact O-CD 3.31Å; S242-P244 WeakPolarHBondContact O-CD 3.5Å; S242-R247 VanDerWaalsContact O-CZ 3.29Å; S242-R247 PolarHBondContact O-NE 2.92Å; S242-R247 PolarHBondContact O-NH2 3.28Å; S242-E1835 PolarHBondContact OG-OE1 3.43Å
243A72.9Confident79.2Confident13 Ų1323.1 Ų23.111%0.10714%0.136CC..  trans-53.1105.2-160.500000112.6T239 S240 N245 Y246T239-A243 HydrophobicContact CG2-CB 3.77Å; S240-A243 WeakPolarHBondContact O-CB 3.49Å; S240-A243 PolarHBondContact O-N 2.92Å; S240-A243 VanDerWaalsContact O-N 3.07Å; A243-N245 VanDerWaalsContact C-N 3.29Å; A243-N245 PolarHBondContact O-N 2.9Å; A243-Y246 HydrophobicContact CB-CD2 3.81Å; A243-Y246 HydrophobicContact CB-CE2 4.48Å; A243-Y246 PolarHBondContact O-N 3.27Å; A243-Y246 VanDerWaalsContact O-N 3.11Å
244P72.6Confident79.1Confident6 Ų623.3 Ų23.34%0.03914%0.137CC..G310 helixtrans-70-25.5-165.527.9-38.1000113.5S242 Y246 R247 S257 S1831 S1834 E1835S242-P244 VanDerWaalsContact O-CD 3.31Å; S242-P244 WeakPolarHBondContact O-CD 3.5Å; P244-Y246 PolarHBondContact O-N 3.35Å; P244-R247 PolarHBondContact O-N 3.17Å; P244-S257 WeakPolarHBondContact O-CB 3.2Å; P244-S1831 VanDerWaalsContact CG-CA 3.46Å; P244-S1834 WeakPolarHBondContact CB-OG 3.3Å; P244-S1834 VanDerWaalsContact CG-OG 3.26Å; P244-S1834 WeakPolarHBondContact CG-OG 3.42Å; P244-E1835 WeakPolarHBondContact CD-OE1 3.5Å; P244-E1835 HydrophobicContact CG-CG 4.16Å
245N79.1Confident78.7Confident13 Ų1323.8 Ų23.87%0.0714%0.139CC..G310 helixtrans-66-17.9174.860.9-34.9000113.7Y229 A243 L255 A1790Y229-N245 HydrophobicContact CE1-CB 3.93Å; A243-N245 VanDerWaalsContact C-N 3.29Å; A243-N245 PolarHBondContact O-N 2.9Å; N245-L255 WeakPolarHBondContact O-CD2 3.19Å; N245-A1790 PolarHBondContact ND2-O 3.3Å
246Y84.9Confident78.2Confident6 Ų626.1 Ų26.12%0.02415%0.154CC..G310 helixtrans-1081.1177.4-58.3-62.5000114M232 P234 T239 A243 P244 L248 M292 A1790M232-Y246 WeakPolarHBondContact O-CE1 3.21Å; P234-Y246 HydrophobicContact CB-CD1 4.23Å; P234-Y246 HydrophobicContact CB-CD2 4.03Å; P234-Y246 HydrophobicContact CB-CE1 4.16Å; P234-Y246 HydrophobicContact CB-CE2 3.95Å; P234-Y246 HydrophobicContact CB-CG 4.17Å; P234-Y246 HydrophobicContact CG-CD1 4Å; P234-Y246 HydrophobicContact CG-CE1 4.2Å; P234-Y246 HydrophobicContact CG-CG 4.18Å; T239-Y246 HydrophobicContact CG2-CD2 3.58Å; T239-Y246 HydrophobicContact CG2-CE2 3.59Å; A243-Y246 HydrophobicContact CB-CD2 3.81Å; A243-Y246 HydrophobicContact CB-CE2 4.48Å; A243-Y246 PolarHBondContact O-N 3.27Å; A243-Y246 VanDerWaalsContact O-N 3.11Å; P244-Y246 PolarHBondContact O-N 3.35Å; Y246-L248 PolarHBondContact O-N 2.84Å; Y246-M292 WeakPolarHBondContact O-CE 3.38Å; Y246-A1790 WeakPolarHBondContact CE2-O 3.36Å; Y246-A1790 PolarHBondContact OH-O 3.39Å; Y246-A1790 VanDerWaalsContact OH-O 3.06Å
247R83.5Confident77.7Confident56 Ų5626.8 Ų26.821%0.21116%0.158CC..  trans-74.8123.5-177.9-74.2-173-162.5-170.47.5111.8S242 P244 T256 M292S242-R247 VanDerWaalsContact O-CZ 3.29Å; S242-R247 PolarHBondContact O-NE 2.92Å; S242-R247 PolarHBondContact O-NH2 3.28Å; P244-R247 PolarHBondContact O-N 3.17Å; R247-T256 WeakPolarHBondContact CB-OG1 3.35Å; R247-T256 PolarHBondContact O-N 2.89Å; R247-T256 PolarHBondContact O-OG1 3.22Å; R247-M292 CarbonylContact C-O 3.53Å; R247-M292 VanDerWaalsContact CA-O 3.31Å; R247-M292 WeakPolarHBondContact CA-O 3.32Å
248L85.5Confident77.7Confident0 Ų028.5 Ų28.50%017%0.167CC..EExtended strand (participates in β ladder)trans-107.2139.9179.3-54.5-179.4000110.4Y246 S250 L253 V254 L255 Q272 L276 M292 L293 D294Y246-L248 PolarHBondContact O-N 2.84Å; L248-S250 PolarHBondContact O-N 3.42Å; L248-L253 HydrophobicContact CD1-CB 4.42Å; L248-L253 HydrophobicContact CD1-CD2 4.41Å; L248-V254 WeakPolarHBondContact CA-O 3.24Å; L248-L255 HydrophobicContact CD2-CD2 3.78Å; L248-L255 HydrophobicContact CD2-CG 4.31Å; L248-Q272 HydrophobicContact CD1-CB 4.22Å; L248-Q272 HydrophobicContact CD2-CB 3.74Å; L248-Q272 HydrophobicContact CD2-CG 3.83Å; L248-L276 HydrophobicContact CD1-CB 4.49Å; L248-M292 HydrophobicContact CD1-CE 4.27Å; L248-M292 PolarHBondContact N-O 2.94Å; L248-L293 HydrophobicContact CB-CD2 4.37Å; L248-D294 PolarHBondContact O-N 3.48Å
249D80.2Confident77.1Confident42 Ų4231.2 Ų31.223%0.22518%0.178CC..EExtended strand (participates in β ladder)trans-66.8125166.6165.927.1000109.6S251 N252 L253 V254 T256D249-S251 PolarHBondContact O-N 2.71Å; D249-S251 PolarHBondContact OD1-N 3.32Å; D249-S251 WeakPolarHBondContact OD2-CB 3.3Å; D249-S251 PolarHBondContact OD2-OG 2.95Å; D249-N252 WeakPolarHBondContact CB-OD1 3.43Å; D249-N252 PolarHBondContact O-N 3.27Å; D249-N252 PolarHBondContact OD2-ND2 3.36Å; D249-N252 PolarHBondContact OD2-OD1 3.08Å; D249-L253 VanDerWaalsContact O-CA 3.3Å; D249-L253 WeakPolarHBondContact O-CA 3.36Å; D249-L253 PolarHBondContact O-N 3.2Å; D249-V254 PolarHBondContact N-O 3.06Å; D249-T256 HydrophobicContact CB-CG2 4.16Å
250S78.7Confident76.6Confident18 Ų1832.9 Ų32.913%0.12620%0.196CC..THydrogen-bonded Turntrans-54-19.817867.10000115.2L248 D294 S304L248-S250 PolarHBondContact O-N 3.42Å; S250-D294 WeakPolarHBondContact CB-O 3.42Å; S250-D294 PolarHBondContact OG-O 3.47Å; S250-S304 PolarHBondContact O-OG 2.96Å
251S76.2Confident76.3Confident86 Ų8631.9 Ų31.960%0.60119%0.19SC*.THydrogen-bonded Turntrans-86.6-43.8-177.492.70000114.3D249D249-S251 PolarHBondContact O-N 2.71Å; D249-S251 PolarHBondContact OD1-N 3.32Å; D249-S251 WeakPolarHBondContact OD2-CB 3.3Å; D249-S251 PolarHBondContact OD2-OG 2.95Å
252N79.8Confident76.8Confident73 Ų7330.3 Ų30.339%0.3918%0.182SC..THydrogen-bonded Turntrans-124.4-8-171.46515.3000114.3D249 V254 S271D249-N252 WeakPolarHBondContact CB-OD1 3.43Å; D249-N252 PolarHBondContact O-N 3.27Å; D249-N252 PolarHBondContact OD2-ND2 3.36Å; D249-N252 PolarHBondContact OD2-OD1 3.08Å; N252-V254 VanDerWaalsContact C-N 3.31Å; N252-V254 HydrophobicContact CB-CG2 4.25Å; N252-V254 PolarHBondContact O-N 2.87Å; N252-V254 WeakPolarHBondContact OD1-CB 3.36Å; N252-V254 WeakPolarHBondContact OD1-CG2 3.37Å; N252-V254 PolarHBondContact OD1-N 2.83Å; N252-S271 WeakPolarHBondContact O-CB 3.05Å; N252-S271 PolarHBondContact O-OG 3.45Å
253L84Confident77.3Confident3 Ų332.5 Ų32.52%0.01619%0.185CC..  trans58.931.2-173.7-50.7177.5000114.8L248 D249 S271 Q272 L273 L276 L293L248-L253 HydrophobicContact CD1-CB 4.42Å; L248-L253 HydrophobicContact CD1-CD2 4.41Å; D249-L253 VanDerWaalsContact O-CA 3.3Å; D249-L253 WeakPolarHBondContact O-CA 3.36Å; D249-L253 PolarHBondContact O-N 3.2Å; L253-S271 WeakPolarHBondContact CB-OG 3.46Å; L253-Q272 WeakPolarHBondContact O-CB 3.47Å; L253-Q272 WeakPolarHBondContact O-CG 3.44Å; L253-Q272 PolarHBondContact O-N 3.28Å; L253-L273 HydrophobicContact CD1-CD1 4.01Å; L253-L276 HydrophobicContact CD1-CD2 3.84Å; L253-L276 HydrophobicContact CD2-CD2 3.89Å; L253-L293 HydrophobicContact CD2-CD2 3.69Å
254V85.4Confident77.7Confident33 Ų3333 Ų3320%0.218%0.184CC..  trans-90.5149.5174-179.70000110.3L248 D249 N252 T256 T269L248-V254 WeakPolarHBondContact CA-O 3.24Å; D249-V254 PolarHBondContact N-O 3.06Å; N252-V254 VanDerWaalsContact C-N 3.31Å; N252-V254 HydrophobicContact CB-CG2 4.25Å; N252-V254 PolarHBondContact O-N 2.87Å; N252-V254 WeakPolarHBondContact OD1-CB 3.36Å; N252-V254 WeakPolarHBondContact OD1-CG2 3.37Å; N252-V254 PolarHBondContact OD1-N 2.83Å; V254-T256 PolarHBondContact O-N 2.7Å; V254-T269 WeakPolarHBondContact CG2-O 3.24Å
255L82.1Confident78Confident10 Ų1033.9 Ų33.95%0.05219%0.19CC..BIsolated β-bridgetrans-65.1120.8-178.9-70.8167.8000112.3N245 L248 I258 L268 Q272N245-L255 WeakPolarHBondContact O-CD2 3.19Å; L248-L255 HydrophobicContact CD2-CD2 3.78Å; L248-L255 HydrophobicContact CD2-CG 4.31Å; L255-I258 HydrophobicContact CB-CD1 3.89Å; L255-I258 HydrophobicContact CB-CG1 3.99Å; L255-I258 HydrophobicContact CD1-CD1 3.99Å; L255-L268 HydrophobicContact CD1-CD2 4.13Å; L255-Q272 HydrophobicContact CG-CG 4.05Å
256T77.6Confident78Confident49 Ų4939.6 Ų39.630%0.30122%0.22SC..THydrogen-bonded Turntrans-79.2-15.7-178.861.40000114.3R247 D249 V254 I258R247-T256 WeakPolarHBondContact CB-OG1 3.35Å; R247-T256 PolarHBondContact O-N 2.89Å; R247-T256 PolarHBondContact O-OG1 3.22Å; D249-T256 HydrophobicContact CB-CG2 4.16Å; V254-T256 PolarHBondContact O-N 2.7Å; T256-I258 PolarHBondContact O-N 3.03Å
257S70.5Confident77.8Confident14 Ų1442.8 Ų42.810%0.09823%0.234CC..THydrogen-bonded Turntrans-66.1-21.1174.851.30000113.2P244 K259P244-S257 WeakPolarHBondContact O-CB 3.2Å; S257-K259 PolarHBondContact O-N 2.75Å
258I74.4Confident77.6Confident35 Ų3540.2 Ų40.218%0.17923%0.225CC..  trans-88.694.6-172.7-54.3-171.2000109.1L255 T256 Y264 L268L255-I258 HydrophobicContact CB-CD1 3.89Å; L255-I258 HydrophobicContact CB-CG1 3.99Å; L255-I258 HydrophobicContact CD1-CD1 3.99Å; T256-I258 PolarHBondContact O-N 3.03Å; I258-Y264 HydrophobicContact CG2-CD1 4.25Å; I258-Y264 HydrophobicContact CG2-CD2 3.35Å; I258-Y264 HydrophobicContact CG2-CE1 4.23Å; I258-Y264 HydrophobicContact CG2-CE2 3.32Å; I258-Y264 HydrophobicContact CG2-CG 3.83Å; I258-L268 HydrophobicContact CD1-CB 3.58Å; I258-L268 HydrophobicContact CD1-CD1 4.02Å; I258-L268 HydrophobicContact CD1-CD2 3.96Å; I258-L268 HydrophobicContact CD1-CG 4.05Å
259K68.1Low77.3Confident79 Ų7943.8 Ų43.834%0.34325%0.247SC..  trans-96131.5-176.6-66.2-165.4178.3-166.70112.6S257 H1833 H1905 Y1910S257-K259 PolarHBondContact O-N 2.75Å; K259-H1833 PolarHBondContact NZ-CD2 2.3Å; K259-H1833 PolarHBondContact NZ-NE2 2.8Å; K259-H1905 PolarHBondContact O-CE1 3.38Å; K259-Y1910 HydrophobicContact CB-CE1 4.33Å; K259-Y1910 HydrophobicContact CD-CE1 4.37Å
260G69.2Low77.5Confident39 Ų3944.5 Ų44.540%0.40226%0.255SS..SBendtrans97167.9166.400000115.5M262 M1909G260-M262 PolarHBondContact O-N 2.82Å; G260-M262 VanDerWaalsContact O-N 3.09Å; G260-M1909 WeakPolarHBondContact CA-SD 3.18Å
261A65.3Low77.8Confident18 Ų1846.4 Ų46.415%0.14927%0.269CS..SBendtrans-85.444.2-178.200000112.6M188 H189 I192M188-A261 WeakPolarHBondContact CE-O 3.34Å; H189-A261 HydrophobicContact CB-CB 4.36Å; H189-A261 VanDerWaalsContact ND1-CB 3.31Å; H189-A261 WeakPolarHBondContact ND1-CB 3.3Å; I192-A261 HydrophobicContact CB-CB 4.4Å; I192-A261 HydrophobicContact CD1-CB 3.98Å; I192-A261 WeakPolarHBondContact CD1-O 3.36Å; I192-A261 HydrophobicContact CG2-CB 4.26Å
262M79Confident78.3Confident9 Ų943.8 Ų43.84%0.04425%0.247CC..  trans-77.8144.1163.6-172.365.490.500107.8M188 F217 P220 A221 L224 G260 Y264 H1905M188-M262 HydrophobicContact CE-SD 4.19Å; M188-M262 HydrophobicContact SD-SD 3.79Å; F217-M262 HydrophobicContact CB-SD 3.94Å; F217-M262 HydrophobicContact CD1-CE 4.49Å; F217-M262 HydrophobicContact CD1-SD 4.09Å; F217-M262 HydrophobicContact CG-SD 4.44Å; P220-M262 HydrophobicContact CB-CE 3.99Å; P220-M262 HydrophobicContact CG-CE 4.11Å; A221-M262 HydrophobicContact CB-CG 3.73Å; A221-M262 HydrophobicContact CB-SD 4.17Å; L224-M262 HydrophobicContact CD1-CE 3.56Å; L224-M262 HydrophobicContact CD1-CG 4.13Å; G260-M262 PolarHBondContact O-N 2.82Å; G260-M262 VanDerWaalsContact O-N 3.09Å; M262-Y264 VanDerWaalsContact C-N 3.31Å; M262-Y264 HydrophobicContact CB-CD2 4.15Å; M262-Y264 HydrophobicContact CB-CE2 3.65Å; M262-Y264 HydrophobicContact CG-CE2 4.48Å; M262-Y264 VanDerWaalsContact O-CD2 3.25Å; M262-Y264 WeakPolarHBondContact O-CD2 3.38Å; M262-Y264 PolarHBondContact O-N 3.12Å; M262-H1905 HydrophobicContact CE-CB 4.45Å
263R75.1Confident78.7Confident80 Ų8042.7 Ų42.730%0.30224%0.241SC..  trans-74.788.7170.3-78.6-162.6173.4173.6-1.9109.9I192 M214I192-R263 HydrophobicContact CD1-CG 3.99Å; I192-R263 HydrophobicContact CG1-CG 4.48Å; M214-R263 HydrophobicContact CE-CG 3.85Å; M214-R263 VanDerWaalsContact CE-NE 3.32Å
264Y79.7Confident78.8Confident24 Ų2447 Ų479%0.09427%0.269CS..  trans-73.1157.4164.9-64.8-77.5000110.5L224 Y225 I258 M262 L268 H1905L224-Y264 HydrophobicContact CB-CE1 4.09Å; Y225-Y264 HydrophobicContact CD1-CD1 4.09Å; I258-Y264 HydrophobicContact CG2-CD1 4.25Å; I258-Y264 HydrophobicContact CG2-CD2 3.35Å; I258-Y264 HydrophobicContact CG2-CE1 4.23Å; I258-Y264 HydrophobicContact CG2-CE2 3.32Å; I258-Y264 HydrophobicContact CG2-CG 3.83Å; M262-Y264 VanDerWaalsContact C-N 3.31Å; M262-Y264 HydrophobicContact CB-CD2 4.15Å; M262-Y264 HydrophobicContact CB-CE2 3.65Å; M262-Y264 HydrophobicContact CG-CE2 4.48Å; M262-Y264 VanDerWaalsContact O-CD2 3.25Å; M262-Y264 WeakPolarHBondContact O-CD2 3.38Å; M262-Y264 PolarHBondContact O-N 3.12Å; Y264-L268 HydrophobicContact CD1-CD1 4.1Å; Y264-H1905 PolarHBondContact OH-CE1 3.45Å
265P78.6Confident79Confident24 Ų2446.6 Ų46.616%0.15627%0.265CS..  trans-65.8155.2173.7-20.333.3000112.9Y225 F267 L268 D1730Y225-P265 HydrophobicContact CD1-CG 4.47Å; Y225-P265 HydrophobicContact CD2-CG 4.43Å; Y225-P265 HydrophobicContact CE1-CG 3.8Å; Y225-P265 HydrophobicContact CE2-CG 3.72Å; Y225-P265 WeakPolarHBondContact OH-CG 3.45Å; P265-F267 HydrophobicContact CB-CD1 3.62Å; P265-F267 HydrophobicContact CB-CE1 3.62Å; P265-F267 HydrophobicContact CG-CD1 4.39Å; P265-F267 HydrophobicContact CG-CE1 3.88Å; P265-F267 PolarHBondContact O-N 3.09Å; P265-F267 VanDerWaalsContact O-N 3.11Å; P265-L268 WeakPolarHBondContact O-CB 3.29Å; P265-L268 PolarHBondContact O-N 3.05Å; P265-D1730 WeakPolarHBondContact CG-OD2 3.48Å
266D80Confident79.3Confident134 Ų13446.1 Ų46.172%0.71726%0.263SS*.Hα-helixtrans-59.8-30.2-172-53.7-48.4000113.9L268 T269 S270D266-L268 PolarHBondContact O-N 3.26Å; D266-T269 PolarHBondContact O-N 3.33Å; D266-T269 PolarHBondContact O-OG1 2.95Å; D266-S270 VanDerWaalsContact O-CB 3.3Å; D266-S270 WeakPolarHBondContact O-CB 3.14Å; D266-S270 PolarHBondContact O-N 2.98Å; D266-S270 PolarHBondContact O-OG 3.48Å
267F80.4Confident79.9Confident72 Ų7243.9 Ų43.932%0.31625%0.25SC..Hα-helixtrans-64.7-19.7178.180.5-94.5000113.8Y225 R227 H230 P265 Q272Y225-F267 HydrophobicContact CD2-CZ 4.27Å; Y225-F267 HydrophobicContact CE2-CE1 4.44Å; Y225-F267 HydrophobicContact CE2-CZ 4.42Å; R227-F267 HydrophobicContact CB-CZ 4.41Å; R227-F267 HydrophobicContact CG-CZ 4.26Å; H230-F267 HydrophobicContact CB-CE2 4.41Å; P265-F267 HydrophobicContact CB-CD1 3.62Å; P265-F267 HydrophobicContact CB-CE1 3.62Å; P265-F267 HydrophobicContact CG-CD1 4.39Å; P265-F267 HydrophobicContact CG-CE1 3.88Å; P265-F267 PolarHBondContact O-N 3.09Å; P265-F267 VanDerWaalsContact O-N 3.11Å; F267-Q272 PolarHBondContact O-NE2 3.19Å
268L80.1Confident80.7Confident2 Ų245.2 Ų45.21%0.0126%0.257CS..Hα-helixtrans-91.4-24.8176.7-70.7-173.6000113Y225 H230 L255 I258 Y264 P265 D266Y225-L268 HydrophobicContact CD2-CD1 4.17Å; Y225-L268 HydrophobicContact CG-CD1 3.9Å; H230-L268 HydrophobicContact CB-CD2 3.51Å; L255-L268 HydrophobicContact CD1-CD2 4.13Å; I258-L268 HydrophobicContact CD1-CB 3.58Å; I258-L268 HydrophobicContact CD1-CD1 4.02Å; I258-L268 HydrophobicContact CD1-CD2 3.96Å; I258-L268 HydrophobicContact CD1-CG 4.05Å; Y264-L268 HydrophobicContact CD1-CD1 4.1Å; P265-L268 WeakPolarHBondContact O-CB 3.29Å; P265-L268 PolarHBondContact O-N 3.05Å; D266-L268 PolarHBondContact O-N 3.26Å
269T79.5Confident81.4Confident75 Ų7543.6 Ų43.646%0.4625%0.249SC..Hα-helixtrans-100.7-8.5-179.153.40000113.3V254 D266V254-T269 WeakPolarHBondContact CG2-O 3.24Å; D266-T269 PolarHBondContact O-N 3.33Å; D266-T269 PolarHBondContact O-OG1 2.95Å
270S83.7Confident82.4Confident57 Ų5739.9 Ų39.940%0.39923%0.232SC..SBendtrans-81.3162.9174.967.70000112.8D266 Q272D266-S270 VanDerWaalsContact O-CB 3.3Å; D266-S270 WeakPolarHBondContact O-CB 3.14Å; D266-S270 PolarHBondContact O-N 2.98Å; D266-S270 PolarHBondContact O-OG 3.48Å; S270-Q272 PolarHBondContact O-N 3.28Å; S270-Q272 PolarHBondContact O-NE2 3.37Å
271S83.9Confident83.2Confident59 Ų5938.2 Ų38.241%0.41322%0.215SC..  trans-66.6118.9178.4-171.80000111.6N252 L253 L273N252-S271 WeakPolarHBondContact O-CB 3.05Å; N252-S271 PolarHBondContact O-OG 3.45Å; L253-S271 WeakPolarHBondContact CB-OG 3.46Å; S271-L273 PolarHBondContact O-N 3.23Å
272Q87.2Confident84.3Confident30 Ų3037.5 Ų37.514%0.1421%0.209CC..  trans-7943.6-178.6-54.7-59.1-53.500112.8L248 L253 L255 F267 S270 L275 L276L248-Q272 HydrophobicContact CD1-CB 4.22Å; L248-Q272 HydrophobicContact CD2-CB 3.74Å; L248-Q272 HydrophobicContact CD2-CG 3.83Å; L253-Q272 WeakPolarHBondContact O-CB 3.47Å; L253-Q272 WeakPolarHBondContact O-CG 3.44Å; L253-Q272 PolarHBondContact O-N 3.28Å; L255-Q272 HydrophobicContact CG-CG 4.05Å; F267-Q272 PolarHBondContact O-NE2 3.19Å; S270-Q272 PolarHBondContact O-N 3.28Å; S270-Q272 PolarHBondContact O-NE2 3.37Å; Q272-L275 HydrophobicContact CB-CB 4.14Å; Q272-L275 HydrophobicContact CB-CD2 4.34Å; Q272-L275 WeakPolarHBondContact O-CB 3.22Å; Q272-L275 PolarHBondContact O-N 2.95Å; Q272-L276 PolarHBondContact O-N 3.41Å
273L88Confident84.5Confident50 Ų5038.2 Ų38.226%0.26221%0.213SC..Hα-helixtrans-57.4-42.5177.5-174.567.3000112.9L253 S271 L275 L276 C277 A310L253-L273 HydrophobicContact CD1-CD1 4.01Å; S271-L273 PolarHBondContact O-N 3.23Å; L273-L275 VanDerWaalsContact C-N 3.33Å; L273-L275 PolarHBondContact O-N 2.84Å; L273-L276 PolarHBondContact O-N 2.8Å; L273-C277 PolarHBondContact O-N 3.27Å; L273-C277 PolarHBondContact O-SG 3.13Å; L273-C277 VanDerWaalsContact O-SG 3.39Å; L273-A310 HydrophobicContact CD1-CB 3.71Å
274P87.4Confident84.5Confident94 Ų9435.9 Ų35.961%0.6120%0.204SC*.Hα-helixtrans-62.8-37.2178.1-23.235.2000113.1C277 T278P274-C277 PolarHBondContact O-N 3.14Å; P274-T278 WeakPolarHBondContact O-CB 3.3Å; P274-T278 PolarHBondContact O-N 2.8Å; P274-T278 PolarHBondContact O-OG1 3.1Å
275L88.8Confident84.6Confident24 Ų2434.7 Ų34.713%0.12620%0.199CC..Hα-helixtrans-61.7-47.3175.3-179.665.5000110.7P234 Q272 L273 T278 V279 M292P234-L275 HydrophobicContact CG-CD1 4.43Å; Q272-L275 HydrophobicContact CB-CB 4.14Å; Q272-L275 HydrophobicContact CB-CD2 4.34Å; Q272-L275 WeakPolarHBondContact O-CB 3.22Å; Q272-L275 PolarHBondContact O-N 2.95Å; L273-L275 VanDerWaalsContact C-N 3.33Å; L273-L275 PolarHBondContact O-N 2.84Å; L275-T278 PolarHBondContact O-N 3.41Å; L275-V279 WeakPolarHBondContact O-CG2 3.5Å; L275-V279 PolarHBondContact O-N 3.36Å; L275-M292 HydrophobicContact CD2-CE 4.07Å; L275-M292 HydrophobicContact CG-CE 4.14Å
276L88.6Confident84.6Confident0 Ų035 Ų350%020%0.199CC..Hα-helixtrans-64.7-39.8178.6-176.758.3000112.2L248 L253 Q272 L273 V279 L280 T289 A310L248-L276 HydrophobicContact CD1-CB 4.49Å; L253-L276 HydrophobicContact CD1-CD2 3.84Å; L253-L276 HydrophobicContact CD2-CD2 3.89Å; Q272-L276 PolarHBondContact O-N 3.41Å; L273-L276 PolarHBondContact O-N 2.8Å; L276-V279 PolarHBondContact O-N 2.9Å; L276-L280 HydrophobicContact CD1-CD1 4.2Å; L276-L280 HydrophobicContact CD1-CG 4.25Å; L276-L280 HydrophobicContact CG-CD1 4Å; L276-L280 HydrophobicContact CG-CG 4.5Å; L276-L280 WeakPolarHBondContact O-CB 3.42Å; L276-L280 VanDerWaalsContact O-CG 3.32Å; L276-L280 WeakPolarHBondContact O-CG 3.38Å; L276-L280 PolarHBondContact O-N 3.35Å; L276-T289 HydrophobicContact CD1-CG2 3.81Å; L276-A310 HydrophobicContact CB-CB 4.5Å; L276-A310 HydrophobicContact CD2-CB 3.71Å; L276-A310 HydrophobicContact CG-CB 3.85Å
277C90.3Very high84.3Confident3 Ų329.5 Ų29.52%0.0217%0.168CC..Hα-helixtrans-63.6-42.7174.1-69.60000112.3L273 P274 V279 L280 G281L273-C277 PolarHBondContact O-N 3.27Å; L273-C277 PolarHBondContact O-SG 3.13Å; L273-C277 VanDerWaalsContact O-SG 3.39Å; P274-C277 PolarHBondContact O-N 3.14Å; C277-V279 VanDerWaalsContact C-N 3.34Å; C277-V279 PolarHBondContact O-N 3.4Å; C277-L280 PolarHBondContact O-N 3.4Å; C277-G281 PolarHBondContact O-N 2.89Å
278T87.2Confident84.3Confident42 Ų4226.1 Ų26.126%0.25815%0.154SC..Hα-helixtrans-61.6-40.8175.7-61.30000111.7P274 L275 Q282P274-T278 WeakPolarHBondContact O-CB 3.3Å; P274-T278 PolarHBondContact O-N 2.8Å; P274-T278 PolarHBondContact O-OG1 3.1Å; L275-T278 PolarHBondContact O-N 3.41Å; T278-Q282 PolarHBondContact O-N 3.19Å
279V88.4Confident84.5Confident0 Ų026 Ų260%015%0.153CC..Hα-helixtrans-68.6-48176172.90000111.3P234 L275 L276 C277 G281 Q282 S285 L288 M292P234-V279 HydrophobicContact CG-CG2 3.68Å; L275-V279 WeakPolarHBondContact O-CG2 3.5Å; L275-V279 PolarHBondContact O-N 3.36Å; L276-V279 PolarHBondContact O-N 2.9Å; C277-V279 VanDerWaalsContact C-N 3.34Å; C277-V279 PolarHBondContact O-N 3.4Å; V279-G281 PolarHBondContact O-N 2.88Å; V279-Q282 WeakPolarHBondContact O-CB 3.42Å; V279-Q282 PolarHBondContact O-N 2.82Å; V279-S285 WeakPolarHBondContact O-CB 3.24Å; V279-S285 PolarHBondContact O-OG 3.46Å; V279-L288 HydrophobicContact CG1-CD2 4.11Å; V279-L288 HydrophobicContact CG1-CG 4.4Å; V279-M292 HydrophobicContact CG1-SD 4.16Å; V279-M292 HydrophobicContact CG2-CE 4.24Å; V279-M292 HydrophobicContact CG2-SD 4Å
280L89.5Confident84.5Confident1 Ų125 Ų251%0.00515%0.146CC..Hα-helixtrans-61.1-32.4178.3-74.6169.2000112.8L276 C277 Q282 S285 T289 L307 A310 L311 L314 H337 V341 F345L276-L280 HydrophobicContact CD1-CD1 4.2Å; L276-L280 HydrophobicContact CD1-CG 4.25Å; L276-L280 HydrophobicContact CG-CD1 4Å; L276-L280 HydrophobicContact CG-CG 4.5Å; L276-L280 WeakPolarHBondContact O-CB 3.42Å; L276-L280 VanDerWaalsContact O-CG 3.32Å; L276-L280 WeakPolarHBondContact O-CG 3.38Å; L276-L280 PolarHBondContact O-N 3.35Å; C277-L280 PolarHBondContact O-N 3.4Å; L280-Q282 VanDerWaalsContact C-N 3.31Å; L280-S285 PolarHBondContact O-OG 2.99Å; L280-T289 HydrophobicContact CD2-CG2 4.12Å; L280-L307 HydrophobicContact CD1-CD1 3.89Å; L280-L307 HydrophobicContact CD2-CD1 4.18Å; L280-A310 HydrophobicContact CD1-CB 3.69Å; L280-L311 HydrophobicContact CD1-CD2 4.27Å; L280-L311 HydrophobicContact CD1-CG 4.4Å; L280-L311 HydrophobicContact CD2-CD2 4.47Å; L280-L314 HydrophobicContact CB-CD2 3.65Å; L280-H337 PolarHBondContact O-NE2 3.2Å; L280-V341 HydrophobicContact CD2-CG1 4.21Å; L280-F345 HydrophobicContact CD2-CE2 4.18Å
281G86.9Confident84.1Confident4 Ų423.3 Ų23.34%0.04114%0.139CC..Hα-helixtrans-70.2-20.4173.900000114.7C277 V279C277-G281 PolarHBondContact O-N 2.89Å; V279-G281 PolarHBondContact O-N 2.88Å
282Q87.8Confident84.1Confident3 Ų320.7 Ų20.71%0.01412%0.12CC..SBendtrans-72.8139.4169.5-66.5178.130.700110.3P234 C236 T278 V279 L280 S285 H337 C1564P234-Q282 PolarHBondContact O-NE2 3.07Å; C236-Q282 HydrophobicContact CB-CB 4.44Å; C236-Q282 PolarHBondContact SG-OE1 3.35Å; T278-Q282 PolarHBondContact O-N 3.19Å; V279-Q282 WeakPolarHBondContact O-CB 3.42Å; V279-Q282 PolarHBondContact O-N 2.82Å; L280-Q282 VanDerWaalsContact C-N 3.31Å; Q282-S285 VanDerWaalsContact O-CB 3.28Å; Q282-S285 WeakPolarHBondContact O-CB 3.46Å; Q282-S285 PolarHBondContact O-OG 3.45Å; Q282-H337 PolarHBondContact O-CE1 3.39Å; Q282-H337 PolarHBondContact O-NE2 2.9Å; Q282-C1564 HydrophobicContact CB-CB 4.33Å
283L82.6Confident83.8Confident24 Ų2420.1 Ų20.113%0.12612%0.118CC..THydrogen-bonded Turntrans-60.4143.9176.8-64.1174000111.1S285 T333 H337 W1557 C1564 I1565L283-S285 PolarHBondContact O-N 3.46Å; L283-S285 VanDerWaalsContact O-N 3.14Å; L283-T333 HydrophobicContact CD2-CG2 4.35Å; L283-H337 HydrophobicContact CD2-CB 3.86Å; L283-W1557 HydrophobicContact CD1-CB 4Å; L283-C1564 HydrophobicContact CB-CB 4.27Å; L283-I1565 HydrophobicContact CD1-CG1 4.35Å
284R74.8Confident82.7Confident31 Ų3120.3 Ų20.312%0.11712%0.119CC..THydrogen-bonded Turntrans58.516178.5-53.9-172.5-172.6170.811116.3F286 H337 W1557 E1560 V1563R284-F286 PolarHBondContact O-N 3.02Å; R284-H337 PolarHBondContact N-CE1 2.97Å; R284-W1557 PolarHBondContact NH2-O 2.86Å; R284-E1560 PolarHBondContact NH2-O 3.31Å; R284-E1560 VanDerWaalsContact NH2-O 3.09Å; R284-V1563 HydrophobicContact CB-CG1 3.78Å
285S82.5Confident81.1Confident0 Ų017.6 Ų17.60%010%0.101CC..THydrogen-bonded Turntrans-58.2-3-177.350.50000118.9C236 V279 L280 Q282 L283 E287 L288 T289C236-S285 VanDerWaalsContact SG-CB 3.58Å; V279-S285 WeakPolarHBondContact O-CB 3.24Å; V279-S285 PolarHBondContact O-OG 3.46Å; L280-S285 PolarHBondContact O-OG 2.99Å; Q282-S285 VanDerWaalsContact O-CB 3.28Å; Q282-S285 WeakPolarHBondContact O-CB 3.46Å; Q282-S285 PolarHBondContact O-OG 3.45Å; L283-S285 PolarHBondContact O-N 3.46Å; L283-S285 VanDerWaalsContact O-N 3.14Å; S285-E287 PolarHBondContact O-N 3.38Å; S285-L288 PolarHBondContact O-N 3.42Å; S285-T289 PolarHBondContact O-N 3.36Å; S285-T289 PolarHBondContact O-OG1 3.15Å; S285-T289 VanDerWaalsContact O-OG1 3.09Å
286F79.1Confident79.2Confident31 Ų3118.9 Ų18.914%0.13612%0.116CC..Hα-helixtrans-52.5-56.6-174.1170.5-101.8000113.7R284 L288 T289 T290 T344 F345 N348R284-F286 PolarHBondContact O-N 3.02Å; F286-L288 PolarHBondContact O-N 3.27Å; F286-T289 PolarHBondContact O-N 3.48Å; F286-T290 HydrophobicContact CD2-CG2 4.26Å; F286-T290 HydrophobicContact CE1-CG2 4.42Å; F286-T290 HydrophobicContact CE2-CG2 3.67Å; F286-T290 HydrophobicContact CZ-CG2 3.74Å; F286-T290 PolarHBondContact O-N 2.9Å; F286-T290 PolarHBondContact O-OG1 2.88Å; F286-T344 HydrophobicContact CD1-CG2 4.23Å; F286-T344 HydrophobicContact CD2-CG2 3.71Å; F286-T344 HydrophobicContact CE1-CG2 4.11Å; F286-T344 HydrophobicContact CE2-CG2 3.57Å; F286-T344 HydrophobicContact CG-CG2 4.07Å; F286-T344 HydrophobicContact CZ-CG2 3.8Å; F286-F345 HydrophobicContact CD2-CD1 4.12Å; F286-F345 AromaticContact CD2-CE1 3.65Å; F286-F345 HydrophobicContact CD2-CE1 3.65Å; F286-F345 HydrophobicContact CD2-CE2 4.24Å; F286-F345 AromaticContact CD2-CZ 3.71Å; F286-F345 HydrophobicContact CD2-CZ 3.71Å; F286-F345 AromaticContact CE2-CD1 3.76Å; F286-F345 HydrophobicContact CE2-CD1 3.76Å; F286-F345 AromaticContact CE2-CE1 3.49Å; F286-F345 HydrophobicContact CE2-CE1 3.49Å; F286-F345 VanDerWaalsContact CE2-CE1 3.49Å; F286-F345 HydrophobicContact CE2-CZ 4.07Å; F286-N348 VanDerWaalsContact CZ-ND2 3.28Å; F286-N348 WeakPolarHBondContact CZ-ND2 3.43Å
287E73.4Confident77.1Confident17 Ų1723.3 Ų23.38%0.07915%0.147CC..Hα-helixtrans-61.2-45.4-176.8-63.896.2-11400111.4L241 S285 T289 T290 G291 R725 Y862L241-E287 VanDerWaalsContact CD2-C 3.41Å; L241-E287 HydrophobicContact CD2-CB 3.92Å; L241-E287 WeakPolarHBondContact CD2-O 3.34Å; S285-E287 PolarHBondContact O-N 3.38Å; E287-T289 PolarHBondContact O-N 3.37Å; E287-T290 WeakPolarHBondContact CA-OG1 3.49Å; E287-T290 PolarHBondContact O-N 2.9Å; E287-T290 VanDerWaalsContact O-N 3.1Å; E287-T290 PolarHBondContact O-OG1 3.41Å; E287-G291 PolarHBondContact O-N 2.94Å; E287-R725 IonicContact OE1-CZ 3.21Å; E287-R725 IonicContact OE1-NH2 2.87Å; E287-R725 PolarHBondContact OE1-NH2 2.46Å; E287-Y862 HydrophobicContact CB-CD1 3.67Å; E287-Y862 HydrophobicContact CB-CE1 3.93Å; E287-Y862 HydrophobicContact CB-CG 4.27Å; E287-Y862 HydrophobicContact CG-CD1 4.28Å; E287-Y862 HydrophobicContact CG-CG 4.4Å; E287-Y862 WeakPolarHBondContact OE2-CD2 3.31Å
288L80.2Confident75.1Confident2 Ų226.9 Ų26.91%0.0118%0.183CC..Hα-helixtrans-61.5-43178.1-177.463.9000111.6P234 C236 T239 L241 V279 S285 F286 T290 G291 M292P234-L288 HydrophobicContact CB-CD2 4.26Å; P234-L288 HydrophobicContact CG-CD2 4.45Å; C236-L288 HydrophobicContact CB-CD2 4.5Å; T239-L288 HydrophobicContact CG2-CD1 4.42Å; L241-L288 HydrophobicContact CD2-CB 4.43Å; V279-L288 HydrophobicContact CG1-CD2 4.11Å; V279-L288 HydrophobicContact CG1-CG 4.4Å; S285-L288 PolarHBondContact O-N 3.42Å; F286-L288 PolarHBondContact O-N 3.27Å; L288-T290 VanDerWaalsContact C-N 3.31Å; L288-T290 PolarHBondContact O-N 3.4Å; L288-G291 PolarHBondContact O-N 3.24Å; L288-M292 HydrophobicContact CD1-CG 4.33Å; L288-M292 HydrophobicContact CD1-SD 4.45Å; L288-M292 HydrophobicContact CD2-SD 4.49Å; L288-M292 HydrophobicContact CG-CG 4.38Å; L288-M292 HydrophobicContact CG-SD 4.02Å; L288-M292 WeakPolarHBondContact O-CB 3.27Å; L288-M292 VanDerWaalsContact O-CG 3.31Å; L288-M292 WeakPolarHBondContact O-CG 3.5Å; L288-M292 PolarHBondContact O-N 3.2Å
289T84.7Confident73Confident0 Ų033.1 Ų33.10%021%0.207CC..Hα-helixtrans-60.5-39.3174-60.40000111.9L276 L280 S285 F286 E287 L293 L307 F345L276-T289 HydrophobicContact CD1-CG2 3.81Å; L280-T289 HydrophobicContact CD2-CG2 4.12Å; S285-T289 PolarHBondContact O-N 3.36Å; S285-T289 PolarHBondContact O-OG1 3.15Å; S285-T289 VanDerWaalsContact O-OG1 3.09Å; F286-T289 PolarHBondContact O-N 3.48Å; E287-T289 PolarHBondContact O-N 3.37Å; T289-L293 HydrophobicContact CG2-CD1 3.86Å; T289-L293 HydrophobicContact CG2-CG 4.46Å; T289-L293 WeakPolarHBondContact O-CB 3.47Å; T289-L293 WeakPolarHBondContact O-CG 3.3Å; T289-L293 PolarHBondContact O-N 3.43Å; T289-L307 HydrophobicContact CG2-CD1 4.18Å; T289-F345 HydrophobicContact CG2-CZ 3.83Å
290T79.5Confident71.1Confident52 Ų5239.3 Ų39.332%0.31924%0.244SC..Hα-helixtrans-71.6-27.1175.7550000114.3F286 E287 L288 F345F286-T290 HydrophobicContact CD2-CG2 4.26Å; F286-T290 HydrophobicContact CE1-CG2 4.42Å; F286-T290 HydrophobicContact CE2-CG2 3.67Å; F286-T290 HydrophobicContact CZ-CG2 3.74Å; F286-T290 PolarHBondContact O-N 2.9Å; F286-T290 PolarHBondContact O-OG1 2.88Å; E287-T290 WeakPolarHBondContact CA-OG1 3.49Å; E287-T290 PolarHBondContact O-N 2.9Å; E287-T290 VanDerWaalsContact O-N 3.1Å; E287-T290 PolarHBondContact O-OG1 3.41Å; L288-T290 VanDerWaalsContact C-N 3.31Å; L288-T290 PolarHBondContact O-N 3.4Å; T290-F345 HydrophobicContact CG2-CE1 3.85Å
291G75.6Confident69.5Low23 Ų2345 Ų4524%0.23727%0.269CS..Hα-helixtrans-78.2-33.517300000113.3L241 E287 L288L241-G291 WeakPolarHBondContact O-CA 3.47Å; E287-G291 PolarHBondContact O-N 2.94Å; L288-G291 PolarHBondContact O-N 3.24Å
292M83.4Confident68.3Low4 Ų447.9 Ų47.92%0.0229%0.286CS..Hα-helixtrans-69.9-38.9174.1-73.3174.36500112.5P234 Y246 R247 L248 L275 V279 L288 D294P234-M292 HydrophobicContact CG-SD 4.36Å; Y246-M292 WeakPolarHBondContact O-CE 3.38Å; R247-M292 CarbonylContact C-O 3.53Å; R247-M292 VanDerWaalsContact CA-O 3.31Å; R247-M292 WeakPolarHBondContact CA-O 3.32Å; L248-M292 HydrophobicContact CD1-CE 4.27Å; L248-M292 PolarHBondContact N-O 2.94Å; L275-M292 HydrophobicContact CD2-CE 4.07Å; L275-M292 HydrophobicContact CG-CE 4.14Å; V279-M292 HydrophobicContact CG1-SD 4.16Å; V279-M292 HydrophobicContact CG2-CE 4.24Å; V279-M292 HydrophobicContact CG2-SD 4Å; L288-M292 HydrophobicContact CD1-CG 4.33Å; L288-M292 HydrophobicContact CD1-SD 4.45Å; L288-M292 HydrophobicContact CD2-SD 4.49Å; L288-M292 HydrophobicContact CG-CG 4.38Å; L288-M292 HydrophobicContact CG-SD 4.02Å; L288-M292 WeakPolarHBondContact O-CB 3.27Å; L288-M292 VanDerWaalsContact O-CG 3.31Å; L288-M292 WeakPolarHBondContact O-CG 3.5Å; L288-M292 PolarHBondContact O-N 3.2Å; M292-D294 PolarHBondContact O-N 3.23Å
293L80.9Confident67.8Low17 Ų1751.2 Ų51.29%0.08930%0.299CS..EExtended strand (participates in β ladder)trans-85.5100.1180-66172.8000110.5L248 L253 T289 P295 L307L248-L293 HydrophobicContact CB-CD2 4.37Å; L253-L293 HydrophobicContact CD2-CD2 3.69Å; T289-L293 HydrophobicContact CG2-CD1 3.86Å; T289-L293 HydrophobicContact CG2-CG 4.46Å; T289-L293 WeakPolarHBondContact O-CB 3.47Å; T289-L293 WeakPolarHBondContact O-CG 3.3Å; T289-L293 PolarHBondContact O-N 3.43Å; L293-P295 VanDerWaalsContact O-CD 3.24Å; L293-P295 WeakPolarHBondContact O-CD 3.43Å; L293-L307 HydrophobicContact CD1-CB 4.35Å; L293-L307 HydrophobicContact CD1-CD1 4.48Å; L293-L307 HydrophobicContact CD1-CD2 4.22Å
294D64.7Low67.7Low55 Ų5550.6 Ų50.629%0.29430%0.296SS..EExtended strand (participates in β ladder)trans-63.7115.6177.6-170.311.1000110.2L248 S250 M292 A296L248-D294 PolarHBondContact O-N 3.48Å; S250-D294 WeakPolarHBondContact CB-O 3.42Å; S250-D294 PolarHBondContact OG-O 3.47Å; M292-D294 PolarHBondContact O-N 3.23Å; D294-A296 PolarHBondContact O-N 2.85Å
295P55.3Low68.1Low36 Ų3652.4 Ų52.423%0.23431%0.311CS..  trans-74.598.8176.129-29.5000108.6L293 S297 I940L293-P295 VanDerWaalsContact O-CD 3.24Å; L293-P295 WeakPolarHBondContact O-CD 3.43Å; P295-S297 CarbonylContact O-C 3.5Å; P295-S297 PolarHBondContact O-N 3.41Å; P295-I940 HydrophobicContact CG-CD1 3.39Å; P295-I940 HydrophobicContact CG-CG1 3.66Å
296A48.3Very low68.2Low52 Ų5252.8 Ų52.843%0.4331%0.314SS..SBendtrans-45.4100.9-17700000112.6D294D294-A296 PolarHBondContact O-N 2.85Å
297S43.5Very low68.6Low93 Ų9351.4 Ų51.465%0.6531%0.308SS*.SBendtrans62.9131.6-168.181.20000114.5P295 K299P295-S297 CarbonylContact O-C 3.5Å; P295-S297 PolarHBondContact O-N 3.41Å; S297-K299 PolarHBondContact O-N 3.42Å
298G48.4Very low69.4Low77 Ų7750.6 Ų50.679%0.79431%0.305SS*.SBendtrans-71.741-175.300000116
299K44.5Very low69.8Low174 Ų17454 Ų5476%0.75732%0.322SS*.SBendtrans-144.7120.3178.3-62.4-176-177.81790109.6S297S297-K299 PolarHBondContact O-N 3.42Å
300V46.6Very low70Confident129 Ų12954 Ų5478%0.78232%0.322SS*.SBendtrans83.8133.4179-169.80000115.3T302V300-T302 PolarHBondContact O-N 3.16Å; V300-T302 VanDerWaalsContact O-N 3.12Å
301K56.4Low70.6Confident122 Ų12251.6 Ų51.653%0.5331%0.308SS..  trans-66.5100.8172.8-60.9175.7177.5-174.20109.6
302T61.6Low71.4Confident63 Ų6350.5 Ų50.539%0.38730%0.296SS..  trans-87.2144.5-179.844.80000112V300V300-T302 PolarHBondContact O-N 3.16Å; V300-T302 VanDerWaalsContact O-N 3.12Å
303R77.9Confident71.9Confident74 Ų7452.9 Ų52.928%0.27931%0.307SS..  trans-78.8123.8174.7175.8-171.5176.8-161.2-5.8109.1E308 T350 E355R303-E308 IonicContact CZ-OE1 3.26Å; R303-E308 IonicContact CZ-OE2 2.75Å; R303-E308 IonicContact NE-OE1 3.69Å; R303-E308 PolarHBondContact NE-OE1 3.18Å; R303-E308 IonicContact NE-OE2 3.92Å; R303-E308 VanDerWaalsContact NH2-CD 3.34Å; R303-E308 IonicContact NH2-OE1 2.88Å; R303-E308 PolarHBondContact NH2-OE1 3.15Å; R303-E308 IonicContact NH2-OE2 3.81Å; R303-E308 PolarHBondContact NH2-OE2 2.93Å; R303-T350 WeakPolarHBondContact CA-O 3.49Å; R303-E355 IonicContact CZ-OE2 3.09Å; R303-E355 IonicContact NH1-OE2 2.81Å; R303-E355 PolarHBondContact NH1-OE2 2.95Å; R303-E355 VanDerWaalsContact NH2-CD 3.26Å; R303-E355 IonicContact NH2-OE2 3.83Å; R303-E355 PolarHBondContact NH2-OE2 3.35Å
304S80.8Confident72.4Confident10 Ų1052 Ų527%0.0730%0.303CS..  trans-93.8109.5172.4-179.60000110.7S250 G306 L307 E308 T350S250-S304 PolarHBondContact O-OG 2.96Å; S304-G306 VanDerWaalsContact C-N 3.32Å; S304-L307 PolarHBondContact O-N 3.04Å; S304-L307 PolarHBondContact OG-N 3.48Å; S304-E308 PolarHBondContact O-N 3.44Å; S304-T350 PolarHBondContact N-O 3.15Å
305V83.8Confident73.7Confident70 Ų7049.6 Ų49.642%0.42429%0.29SS..Hα-helixtrans-69.3-33.5176.3-177.70000111E308 L309V305-E308 PolarHBondContact O-N 3.07Å; V305-L309 HydrophobicContact CG1-CD1 4.44Å; V305-L309 WeakPolarHBondContact O-CG 3.41Å; V305-L309 PolarHBondContact O-N 3.28Å; V305-L309 VanDerWaalsContact O-N 3.11Å
306G84.2Confident75.4Confident8 Ų848.2 Ų48.28%0.08228%0.281CS..Hα-helixtrans-62.3-44.4174.400000112.7S304 E308 L309 A310S304-G306 VanDerWaalsContact C-N 3.32Å; G306-E308 PolarHBondContact O-N 2.91Å; G306-L309 PolarHBondContact O-N 2.98Å; G306-A310 PolarHBondContact O-N 2.71Å
307L86.9Confident77.4Confident2 Ų248.3 Ų48.31%0.0127%0.272CS..Hα-helixtrans-62.5-40.4176.1-178.558.1000112.6L280 T289 L293 S304 L309 A310 L311 F345 V351L280-L307 HydrophobicContact CD1-CD1 3.89Å; L280-L307 HydrophobicContact CD2-CD1 4.18Å; T289-L307 HydrophobicContact CG2-CD1 4.18Å; L293-L307 HydrophobicContact CD1-CB 4.35Å; L293-L307 HydrophobicContact CD1-CD1 4.48Å; L293-L307 HydrophobicContact CD1-CD2 4.22Å; S304-L307 PolarHBondContact O-N 3.04Å; S304-L307 PolarHBondContact OG-N 3.48Å; L307-L309 VanDerWaalsContact C-N 3.33Å; L307-L309 PolarHBondContact O-N 3.25Å; L307-A310 PolarHBondContact O-N 2.73Å; L307-L311 HydrophobicContact CD1-CD1 4.36Å; L307-L311 HydrophobicContact CD1-CG 4.44Å; L307-L311 HydrophobicContact CG-CD1 4.26Å; L307-L311 WeakPolarHBondContact O-CG 3.48Å; L307-L311 PolarHBondContact O-N 3.09Å; L307-F345 HydrophobicContact CD1-CE2 4.08Å; L307-F345 HydrophobicContact CD1-CZ 4.34Å; L307-F345 HydrophobicContact CD2-CD1 3.86Å; L307-F345 HydrophobicContact CD2-CD2 4.07Å; L307-F345 HydrophobicContact CD2-CE1 3.82Å; L307-F345 HydrophobicContact CD2-CE2 4.03Å; L307-F345 HydrophobicContact CD2-CG 3.99Å; L307-F345 HydrophobicContact CD2-CZ 3.92Å; L307-V351 HydrophobicContact CD2-CG2 3.67Å; L307-V351 HydrophobicContact CG-CG2 3.88Å
308E89.3Confident79.5Confident0 Ų043.9 Ų43.90%024%0.241CC..Hα-helixtrans-62.4-38.4173.8-71.6176.4-176.100112.8R303 S304 V305 G306 V312 V351 R352 I356 K359R303-E308 IonicContact CZ-OE1 3.26Å; R303-E308 IonicContact CZ-OE2 2.75Å; R303-E308 IonicContact NE-OE1 3.69Å; R303-E308 PolarHBondContact NE-OE1 3.18Å; R303-E308 IonicContact NE-OE2 3.92Å; R303-E308 VanDerWaalsContact NH2-CD 3.34Å; R303-E308 IonicContact NH2-OE1 2.88Å; R303-E308 PolarHBondContact NH2-OE1 3.15Å; R303-E308 IonicContact NH2-OE2 3.81Å; R303-E308 PolarHBondContact NH2-OE2 2.93Å; S304-E308 PolarHBondContact O-N 3.44Å; V305-E308 PolarHBondContact O-N 3.07Å; G306-E308 PolarHBondContact O-N 2.91Å; E308-V312 VanDerWaalsContact O-CG2 3.29Å; E308-V312 WeakPolarHBondContact O-CG2 3.26Å; E308-V312 PolarHBondContact O-N 3.22Å; E308-V351 HydrophobicContact CG-CG1 4.2Å; E308-V351 HydrophobicContact CG-CG2 4.34Å; E308-R352 PolarHBondContact OE1-N 3.03Å; E308-R352 VanDerWaalsContact OE1-N 3.14Å; E308-I356 HydrophobicContact CB-CG1 4.23Å; E308-I356 HydrophobicContact CG-CD1 4.43Å; E308-I356 HydrophobicContact CG-CG1 4.25Å; E308-K359 IonicContact OE2-NZ 3.88Å; E308-K359 PolarHBondContact OE2-NZ 2.85Å
309L89.9Confident81.5Confident73 Ų7340.2 Ų40.238%0.38220%0.204SC..Hα-helixtrans-69-41.2176.5-72.5168.8000111.4V305 G306 L307 V312 E313 K359V305-L309 HydrophobicContact CG1-CD1 4.44Å; V305-L309 WeakPolarHBondContact O-CG 3.41Å; V305-L309 PolarHBondContact O-N 3.28Å; V305-L309 VanDerWaalsContact O-N 3.11Å; G306-L309 PolarHBondContact O-N 2.98Å; L307-L309 VanDerWaalsContact C-N 3.33Å; L307-L309 PolarHBondContact O-N 3.25Å; L309-V312 PolarHBondContact O-N 3.4Å; L309-E313 WeakPolarHBondContact O-CB 3.45Å; L309-E313 PolarHBondContact O-N 3.38Å; L309-K359 HydrophobicContact CD2-CD 4.05Å
310A89.4Confident83.6Confident0 Ų035.8 Ų35.80%019%0.186CC..Hα-helixtrans-62.8-41177.200000112.5L273 L276 L280 G306 L307 E313 L314L273-A310 HydrophobicContact CD1-CB 3.71Å; L276-A310 HydrophobicContact CB-CB 4.5Å; L276-A310 HydrophobicContact CD2-CB 3.71Å; L276-A310 HydrophobicContact CG-CB 3.85Å; L280-A310 HydrophobicContact CD1-CB 3.69Å; G306-A310 PolarHBondContact O-N 2.71Å; L307-A310 PolarHBondContact O-N 2.73Å; A310-E313 PolarHBondContact O-N 3.02Å; A310-L314 VanDerWaalsContact O-CB 3.27Å; A310-L314 WeakPolarHBondContact O-CB 3.45Å; A310-L314 PolarHBondContact O-N 3.48Å
311L91.2Very high85.5Confident2 Ų231 Ų311%0.0116%0.155CC..Hα-helixtrans-65.2-39.7175.5-71.5166.3000112.2L280 L307 I315 V341 M342 V351L280-L311 HydrophobicContact CD1-CD2 4.27Å; L280-L311 HydrophobicContact CD1-CG 4.4Å; L280-L311 HydrophobicContact CD2-CD2 4.47Å; L307-L311 HydrophobicContact CD1-CD1 4.36Å; L307-L311 HydrophobicContact CD1-CG 4.44Å; L307-L311 HydrophobicContact CG-CD1 4.26Å; L307-L311 WeakPolarHBondContact O-CG 3.48Å; L307-L311 PolarHBondContact O-N 3.09Å; L311-I315 WeakPolarHBondContact O-CD1 3.39Å; L311-I315 VanDerWaalsContact O-CG1 3.22Å; L311-I315 WeakPolarHBondContact O-CG1 3.46Å; L311-I315 PolarHBondContact O-N 2.68Å; L311-V341 HydrophobicContact CD2-CG1 4.23Å; L311-M342 HydrophobicContact CB-CE 4.1Å; L311-M342 HydrophobicContact CD1-CE 3.79Å; L311-M342 HydrophobicContact CD1-SD 4.25Å; L311-M342 HydrophobicContact CG-CE 4.36Å; L311-V351 HydrophobicContact CD1-CG1 4.42Å; L311-V351 HydrophobicContact CD1-CG2 4.24Å
312V92.9Very high86.8Confident0 Ų025.2 Ų25.20%013%0.13CC..Hα-helixtrans-67.4-42.9175.9171.70000111.3E308 L309 I315 V316 I356 K359 K363E308-V312 VanDerWaalsContact O-CG2 3.29Å; E308-V312 WeakPolarHBondContact O-CG2 3.26Å; E308-V312 PolarHBondContact O-N 3.22Å; L309-V312 PolarHBondContact O-N 3.4Å; V312-I315 PolarHBondContact O-N 3.05Å; V312-V316 WeakPolarHBondContact O-CG2 3.31Å; V312-V316 PolarHBondContact O-N 3.46Å; V312-V316 VanDerWaalsContact O-N 3.14Å; V312-I356 HydrophobicContact CG2-CB 4.28Å; V312-I356 HydrophobicContact CG2-CG1 4.33Å; V312-I356 HydrophobicContact CG2-CG2 3.85Å; V312-K359 HydrophobicContact CG1-CB 4.19Å; V312-K359 HydrophobicContact CG2-CB 3.82Å; V312-K359 HydrophobicContact CG2-CD 4.43Å; V312-K363 HydrophobicContact CG1-CD 3.9Å; V312-K363 HydrophobicContact CG1-CG 4.49Å
313E92.5Very high87.9Confident53 Ų5324.3 Ų24.325%0.24812%0.122CC..Hα-helixtrans-61.2-48.4175.8-176.556.2-146.800111.7L309 A310 I315 V316 Q317 K363L309-E313 WeakPolarHBondContact O-CB 3.45Å; L309-E313 PolarHBondContact O-N 3.38Å; A310-E313 PolarHBondContact O-N 3.02Å; E313-I315 PolarHBondContact O-N 3.48Å; E313-V316 PolarHBondContact O-N 2.91Å; E313-Q317 WeakPolarHBondContact O-CG 3.25Å; E313-Q317 PolarHBondContact O-N 3.37Å; E313-Q317 PolarHBondContact OE1-NE2 3.4Å; E313-K363 IonicContact OE2-NZ 1.78Å; E313-K363 PolarHBondContact OE2-NZ 3.24Å
314L91.5Very high88Confident0 Ų026 Ų260%014%0.144CC..Hα-helixtrans-61.8-39.7177.2-178.759.7000112.6L280 A310 V316 Q317 V318 L338 H1545L280-L314 HydrophobicContact CB-CD2 3.65Å; A310-L314 VanDerWaalsContact O-CB 3.27Å; A310-L314 WeakPolarHBondContact O-CB 3.45Å; A310-L314 PolarHBondContact O-N 3.48Å; L314-V316 PolarHBondContact O-N 3.03Å; L314-Q317 PolarHBondContact O-N 3.45Å; L314-V318 HydrophobicContact CD1-CG2 4.16Å; L314-V318 WeakPolarHBondContact O-CB 3.26Å; L314-V318 VanDerWaalsContact O-CG2 3.26Å; L314-V318 WeakPolarHBondContact O-CG2 3.5Å; L314-V318 PolarHBondContact O-N 3.32Å; L314-L338 HydrophobicContact CD2-CD2 3.7Å; L314-L338 HydrophobicContact CG-CD2 4.12Å; L314-H1545 WeakPolarHBondContact CD1-NE2 3.49Å
315I92.1Very high87.7Confident4 Ų426.2 Ų26.22%0.02115%0.145CC..Hα-helixtrans-61-44.5174.7-72.3164.2000110.7L311 V312 E313 V318 M319 L338 L360 F379L311-I315 WeakPolarHBondContact O-CD1 3.39Å; L311-I315 VanDerWaalsContact O-CG1 3.22Å; L311-I315 WeakPolarHBondContact O-CG1 3.46Å; L311-I315 PolarHBondContact O-N 2.68Å; V312-I315 PolarHBondContact O-N 3.05Å; E313-I315 PolarHBondContact O-N 3.48Å; I315-V318 PolarHBondContact O-N 2.98Å; I315-M319 HydrophobicContact CG2-CG 4.45Å; I315-M319 HydrophobicContact CG2-SD 4.11Å; I315-M319 VanDerWaalsContact O-CG 3.27Å; I315-M319 WeakPolarHBondContact O-CG 3.12Å; I315-M319 PolarHBondContact O-N 2.99Å; I315-L338 HydrophobicContact CG1-CD1 4.26Å; I315-L360 HydrophobicContact CG2-CD1 3.98Å; I315-F379 HydrophobicContact CD1-CE1 4.09Å; I315-F379 HydrophobicContact CD1-CE2 4.48Å; I315-F379 HydrophobicContact CD1-CZ 3.93Å
316V92Very high87Confident6 Ų629 Ų294%0.03616%0.157CC..Hα-helixtrans-65-46178.5173.80000111.3V312 E313 L314 V318 M319 E320 L360 K363 L364V312-V316 WeakPolarHBondContact O-CG2 3.31Å; V312-V316 PolarHBondContact O-N 3.46Å; V312-V316 VanDerWaalsContact O-N 3.14Å; E313-V316 PolarHBondContact O-N 2.91Å; L314-V316 PolarHBondContact O-N 3.03Å; V316-V318 VanDerWaalsContact C-N 3.29Å; V316-V318 PolarHBondContact O-N 3.09Å; V316-M319 WeakPolarHBondContact O-CB 3.46Å; V316-M319 PolarHBondContact O-N 2.83Å; V316-M319 VanDerWaalsContact O-N 3.09Å; V316-E320 HydrophobicContact CG1-CG 4.45Å; V316-E320 WeakPolarHBondContact O-CG 3.39Å; V316-E320 PolarHBondContact O-N 3.08Å; V316-L360 HydrophobicContact CG2-CD1 4.17Å; V316-K363 HydrophobicContact CG2-CB 4.23Å; V316-K363 HydrophobicContact CG2-CD 4.03Å; V316-L364 HydrophobicContact CG2-CD2 4.22Å
317Q89.3Confident86.4Confident55 Ų5530.5 Ų30.526%0.25716%0.163SC..Hα-helixtrans-58.6-40.1175.2-69.2176.310.400112.3E313 L314 E320 L321 H1545E313-Q317 WeakPolarHBondContact O-CG 3.25Å; E313-Q317 PolarHBondContact O-N 3.37Å; E313-Q317 PolarHBondContact OE1-NE2 3.4Å; L314-Q317 PolarHBondContact O-N 3.45Å; Q317-E320 PolarHBondContact O-N 2.93Å; Q317-L321 WeakPolarHBondContact O-CB 3.05Å; Q317-L321 VanDerWaalsContact O-CG 3.27Å; Q317-L321 WeakPolarHBondContact O-CG 3.4Å; Q317-L321 PolarHBondContact O-N 2.89Å; Q317-H1545 PolarHBondContact OE1-NE2 3.26Å; Q317-H1545 VanDerWaalsContact OE1-NE2 3.14Å
318V88.8Confident85.6Confident0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-69.4-36.1175.9169.60000111.7L314 I315 V316 L322 W330 I334 F335L314-V318 HydrophobicContact CD1-CG2 4.16Å; L314-V318 WeakPolarHBondContact O-CB 3.26Å; L314-V318 VanDerWaalsContact O-CG2 3.26Å; L314-V318 WeakPolarHBondContact O-CG2 3.5Å; L314-V318 PolarHBondContact O-N 3.32Å; I315-V318 PolarHBondContact O-N 2.98Å; V316-V318 VanDerWaalsContact C-N 3.29Å; V316-V318 PolarHBondContact O-N 3.09Å; V318-L322 VanDerWaalsContact O-CB 3.22Å; V318-L322 WeakPolarHBondContact O-CB 3.41Å; V318-L322 PolarHBondContact O-N 3.27Å; V318-W330 HydrophobicContact CG1-CH2 4.27Å; V318-I334 HydrophobicContact CG1-CG1 4.17Å; V318-I334 HydrophobicContact CG1-CG2 3.69Å; V318-I334 HydrophobicContact CG2-CG1 3.86Å; V318-F335 HydrophobicContact CG1-CD2 4.23Å; V318-F335 HydrophobicContact CG1-CE2 3.67Å; V318-F335 HydrophobicContact CG1-CZ 4.23Å
319M89.5Confident84.8Confident0 Ų035.1 Ų35.10%019%0.189CC..Hα-helixtrans-64.2-43.8172.9-70.9175.368.300111.9I315 V316 L322 E323 L364 W369 S372 V376I315-M319 HydrophobicContact CG2-CG 4.45Å; I315-M319 HydrophobicContact CG2-SD 4.11Å; I315-M319 VanDerWaalsContact O-CG 3.27Å; I315-M319 WeakPolarHBondContact O-CG 3.12Å; I315-M319 PolarHBondContact O-N 2.99Å; V316-M319 WeakPolarHBondContact O-CB 3.46Å; V316-M319 PolarHBondContact O-N 2.83Å; V316-M319 VanDerWaalsContact O-N 3.09Å; M319-L322 PolarHBondContact O-N 3.48Å; M319-L322 VanDerWaalsContact O-N 3.15Å; M319-E323 PolarHBondContact O-N 2.95Å; M319-L364 HydrophobicContact CE-CD1 3.98Å; M319-L364 HydrophobicContact CE-CD2 3.9Å; M319-L364 HydrophobicContact SD-CD1 4.12Å; M319-L364 HydrophobicContact SD-CD2 3.97Å; M319-W369 HydrophobicContact CB-CE3 4.32Å; M319-W369 HydrophobicContact CB-CH2 4.16Å; M319-W369 HydrophobicContact CB-CZ3 3.94Å; M319-W369 HydrophobicContact CE-CB 4.36Å; M319-W369 HydrophobicContact CE-CD2 3.56Å; M319-W369 HydrophobicContact CE-CE3 3.97Å; M319-W369 HydrophobicContact CE-CG 3.73Å; M319-W369 HydrophobicContact CE-CZ2 4.32Å; M319-S372 WeakPolarHBondContact CE-OG 3.49Å; M319-V376 HydrophobicContact CE-CG2 3.88Å; M319-V376 HydrophobicContact CG-CG2 4.03Å; M319-V376 HydrophobicContact SD-CG2 3.55Å; M319-V376 VanDerWaalsContact SD-CG2 3.55Å
320E89Confident84.3Confident81 Ų8132.9 Ų32.938%0.37918%0.176SC..Hα-helixtrans-60.9-46176.6-70.6170.7172.300110.9V316 Q317 L322 C324 R367 W369V316-E320 HydrophobicContact CG1-CG 4.45Å; V316-E320 WeakPolarHBondContact O-CG 3.39Å; V316-E320 PolarHBondContact O-N 3.08Å; Q317-E320 PolarHBondContact O-N 2.93Å; E320-L322 VanDerWaalsContact C-N 3.33Å; E320-L322 PolarHBondContact O-N 3.48Å; E320-C324 PolarHBondContact O-N 3.43Å; E320-C324 PolarHBondContact O-SG 2.88Å; E320-R367 IonicContact OE1-CZ 3.81Å; E320-R367 IonicContact OE1-NH1 2.75Å; E320-R367 PolarHBondContact OE1-NH1 3.13Å; E320-W369 HydrophobicContact CG-CH2 3.73Å; E320-W369 HydrophobicContact CG-CZ3 4.38Å
321L85.7Confident84Confident28 Ų2833.2 Ų33.215%0.14718%0.177CC..Hα-helixtrans-62.6-35.3172.8-70170.3000113.1Q317 C324 T325 W330 R1544 I1547Q317-L321 WeakPolarHBondContact O-CB 3.05Å; Q317-L321 VanDerWaalsContact O-CG 3.27Å; Q317-L321 WeakPolarHBondContact O-CG 3.4Å; Q317-L321 PolarHBondContact O-N 2.89Å; L321-C324 PolarHBondContact O-N 2.97Å; L321-T325 WeakPolarHBondContact O-CB 3.35Å; L321-T325 WeakPolarHBondContact O-CG2 3.47Å; L321-T325 PolarHBondContact O-N 3.44Å; L321-T325 PolarHBondContact O-OG1 3.32Å; L321-W330 HydrophobicContact CB-CH2 3.96Å; L321-W330 HydrophobicContact CB-CZ3 4.31Å; L321-W330 HydrophobicContact CD1-CH2 4.16Å; L321-R1544 HydrophobicContact CD2-CB 4.44Å; L321-R1544 HydrophobicContact CD2-CG 4.39Å; L321-I1547 HydrophobicContact CB-CD1 4Å; L321-I1547 HydrophobicContact CD1-CD1 3.88Å; L321-I1547 HydrophobicContact CD2-CD1 3.85Å; L321-I1547 HydrophobicContact CG-CD1 4.12Å
322L84.7Confident83.4Confident1 Ų135 Ų351%0.00518%0.184CC..Hα-helixtrans-74.3-33.8-178.2-171.8153.7000112.9V318 M319 E320 C324 N331 F335 K371 Y375V318-L322 VanDerWaalsContact O-CB 3.22Å; V318-L322 WeakPolarHBondContact O-CB 3.41Å; V318-L322 PolarHBondContact O-N 3.27Å; M319-L322 PolarHBondContact O-N 3.48Å; M319-L322 VanDerWaalsContact O-N 3.15Å; E320-L322 VanDerWaalsContact C-N 3.33Å; E320-L322 PolarHBondContact O-N 3.48Å; L322-C324 VanDerWaalsContact C-N 3.31Å; L322-N331 HydrophobicContact CD1-CB 3.78Å; L322-N331 VanDerWaalsContact CD1-CG 3.47Å; L322-N331 WeakPolarHBondContact CD1-OD1 3.46Å; L322-N331 HydrophobicContact CG-CB 4.38Å; L322-N331 WeakPolarHBondContact CG-OD1 3.49Å; L322-F335 HydrophobicContact CD1-CD2 4.38Å; L322-F335 HydrophobicContact CD1-CE2 3.79Å; L322-K371 HydrophobicContact CD2-CB 3.62Å; L322-Y375 HydrophobicContact CD1-CD2 3.87Å; L322-Y375 HydrophobicContact CD1-CE2 4.19Å; L322-Y375 HydrophobicContact CD1-CG 4.15Å; L322-Y375 HydrophobicContact CD2-CD2 4.41Å
323E84.1Confident82.8Confident43 Ų4336.6 Ų36.620%0.20119%0.194CC..Hα-helixtrans-65.5-39171.7-63.6-61.1149.400110.8M319 W369 T370 K371 S372M319-E323 PolarHBondContact O-N 2.95Å; E323-W369 HydrophobicContact CG-CE3 3.51Å; E323-W369 HydrophobicContact CG-CZ3 3.64Å; E323-T370 PolarHBondContact OE1-N 2.81Å; E323-T370 PolarHBondContact OE2-OG1 3.14Å; E323-K371 PolarHBondContact O-NZ 3.03Å; E323-K371 PolarHBondContact OE1-N 2.94Å; E323-K371 PolarHBondContact OE2-N 3.42Å; E323-S372 WeakPolarHBondContact OE1-CB 3.42Å; E323-S372 PolarHBondContact OE1-N 2.92Å; E323-S372 PolarHBondContact OE1-OG 3.23Å
324C79.9Confident82.4Confident111 Ų11134.3 Ų34.375%0.7518%0.183SC*.Hα-helixtrans-73.7-24.7177.7-65.50000115E320 L321 L322E320-C324 PolarHBondContact O-N 3.43Å; E320-C324 PolarHBondContact O-SG 2.88Å; L321-C324 PolarHBondContact O-N 2.97Å; L322-C324 VanDerWaalsContact C-N 3.31Å
325T75Confident82.2Confident14 Ų1434.3 Ų34.39%0.08618%0.183CC..  trans-117.8141.3-172.562.30000113.5L321 F1442 I1547L321-T325 WeakPolarHBondContact O-CB 3.35Å; L321-T325 WeakPolarHBondContact O-CG2 3.47Å; L321-T325 PolarHBondContact O-N 3.44Å; L321-T325 PolarHBondContact O-OG1 3.32Å; T325-F1442 HydrophobicContact CG2-CZ 4.14Å; T325-I1547 HydrophobicContact CG2-CD1 4.33Å
326N68.7Low81.8Confident128 Ų12835 Ų3568%0.68419%0.187SC*.  trans-10118.2179.7-65.5-30.1000113.1E328 K371N326-E328 PolarHBondContact O-N 3.45Å; N326-E328 VanDerWaalsContact O-N 3.15Å; N326-K371 PolarHBondContact OD1-NZ 3.36Å
327D72.2Confident81.5Confident39 Ų3935 Ų3521%0.20919%0.186CC..  trans-87.481.1-179-162.751.5000112.7P329 W330 N331 K1440D327-P329 VanDerWaalsContact C-N 3.33Å; D327-P329 WeakPolarHBondContact OD1-CD 3.43Å; D327-P329 WeakPolarHBondContact OD1-CG 3.35Å; D327-P329 WeakPolarHBondContact OD2-CG 3.46Å; D327-W330 HydrophobicContact CB-CB 4.33Å; D327-W330 PolarHBondContact O-N 2.98Å; D327-W330 VanDerWaalsContact O-N 3.17Å; D327-W330 VanDerWaalsContact OD2-CB 3.25Å; D327-W330 WeakPolarHBondContact OD2-CB 3.41Å; D327-W330 PolarHBondContact OD2-N 3.01Å; D327-N331 PolarHBondContact O-N 3.4Å; D327-N331 PolarHBondContact O-ND2 3.16Å; D327-K1440 IonicContact OD1-NZ 3.9Å; D327-K1440 PolarHBondContact OD1-NZ 2.77Å
328E70.3Confident81.5Confident48 Ų4832.5 Ų32.522%0.22417%0.174CC..Hα-helixtrans-44.4-41.1174.1-65-168.2178.100116.1N326 R332 C423N326-E328 PolarHBondContact O-N 3.45Å; N326-E328 VanDerWaalsContact O-N 3.15Å; E328-R332 WeakPolarHBondContact O-CB 3.25Å; E328-R332 WeakPolarHBondContact O-CG 3.34Å; E328-R332 PolarHBondContact O-N 3.16Å; E328-C423 PolarHBondContact OE1-SG 2.83Å
329P71.9Confident81.5Confident51 Ų5132.7 Ų32.733%0.33118%0.175SC..Hα-helixtrans-70.9-37.8178.826.1-33.7000113.9D327 T333D327-P329 VanDerWaalsContact C-N 3.33Å; D327-P329 WeakPolarHBondContact OD1-CD 3.43Å; D327-P329 WeakPolarHBondContact OD1-CG 3.35Å; D327-P329 WeakPolarHBondContact OD2-CG 3.46Å; P329-T333 VanDerWaalsContact O-CB 3.3Å; P329-T333 WeakPolarHBondContact O-CB 3.34Å; P329-T333 PolarHBondContact O-N 3.47Å; P329-T333 PolarHBondContact O-OG1 3.06Å
330W80.1Confident81.2Confident26 Ų2633 Ų3310%0.09818%0.177CC..Hα-helixtrans-64.2-48.3170.4175.183.4000110.5V318 L321 D327 R332 T333 I334 H1545 I1547V318-W330 HydrophobicContact CG1-CH2 4.27Å; L321-W330 HydrophobicContact CB-CH2 3.96Å; L321-W330 HydrophobicContact CB-CZ3 4.31Å; L321-W330 HydrophobicContact CD1-CH2 4.16Å; D327-W330 HydrophobicContact CB-CB 4.33Å; D327-W330 PolarHBondContact O-N 2.98Å; D327-W330 VanDerWaalsContact O-N 3.17Å; D327-W330 VanDerWaalsContact OD2-CB 3.25Å; D327-W330 WeakPolarHBondContact OD2-CB 3.41Å; D327-W330 PolarHBondContact OD2-N 3.01Å; W330-R332 VanDerWaalsContact C-N 3.33Å; W330-R332 PolarHBondContact O-N 3.16Å; W330-T333 WeakPolarHBondContact O-CB 3.45Å; W330-T333 PolarHBondContact O-N 2.92Å; W330-I334 HydrophobicContact CD2-CG2 4.41Å; W330-I334 HydrophobicContact CE3-CG2 4.47Å; W330-I334 HydrophobicContact CH2-CG2 4.13Å; W330-I334 HydrophobicContact CZ2-CB 4.25Å; W330-I334 HydrophobicContact CZ2-CG1 4.28Å; W330-I334 HydrophobicContact CZ2-CG2 4.07Å; W330-I334 HydrophobicContact CZ3-CG2 4.34Å; W330-I334 WeakPolarHBondContact O-CG2 3.44Å; W330-I334 PolarHBondContact O-N 2.99Å; W330-H1545 PolarHBondContact NE1-O 3.15Å; W330-I1547 HydrophobicContact CD2-CD1 4.43Å; W330-I1547 HydrophobicContact CD2-CG1 3.66Å; W330-I1547 HydrophobicContact CE3-CD1 4.29Å; W330-I1547 HydrophobicContact CE3-CG1 3.99Å; W330-I1547 HydrophobicContact CG-CG1 4.3Å; W330-I1547 HydrophobicContact CH2-CD1 3.72Å; W330-I1547 HydrophobicContact CH2-CG1 3.86Å; W330-I1547 HydrophobicContact CZ2-CD1 3.84Å; W330-I1547 HydrophobicContact CZ2-CG1 3.48Å; W330-I1547 VanDerWaalsContact CZ2-CG1 3.48Å; W330-I1547 HydrophobicContact CZ3-CD1 3.95Å; W330-I1547 HydrophobicContact CZ3-CG1 4.08Å
331N81.7Confident81Confident7 Ų729.4 Ų29.44%0.03716%0.161CC..Hα-helixtrans-52.1-47.6177.1-72.9-29000112.2L322 D327 I334 F335 Y375L322-N331 HydrophobicContact CD1-CB 3.78Å; L322-N331 VanDerWaalsContact CD1-CG 3.47Å; L322-N331 WeakPolarHBondContact CD1-OD1 3.46Å; L322-N331 HydrophobicContact CG-CB 4.38Å; L322-N331 WeakPolarHBondContact CG-OD1 3.49Å; D327-N331 PolarHBondContact O-N 3.4Å; D327-N331 PolarHBondContact O-ND2 3.16Å; N331-I334 WeakPolarHBondContact O-CG2 3.44Å; N331-F335 WeakPolarHBondContact O-CD2 3.2Å; N331-F335 PolarHBondContact O-N 2.79Å; N331-Y375 HydrophobicContact CB-CE1 4.38Å
332R78.7Confident81Confident39 Ų3928.1 Ų28.115%0.14715%0.154CC..Hα-helixtrans-65-43.9174.7-75.7175.9171.5-166.3-7112.6E328 W330 F335 E336 Y375 R537E328-R332 WeakPolarHBondContact O-CB 3.25Å; E328-R332 WeakPolarHBondContact O-CG 3.34Å; E328-R332 PolarHBondContact O-N 3.16Å; W330-R332 VanDerWaalsContact C-N 3.33Å; W330-R332 PolarHBondContact O-N 3.16Å; R332-F335 PolarHBondContact O-N 3.27Å; R332-E336 WeakPolarHBondContact O-CB 3.39Å; R332-E336 WeakPolarHBondContact O-CG 3.13Å; R332-E336 PolarHBondContact O-N 3.02Å; R332-Y375 HydrophobicContact CG-CE1 3.91Å; R332-R537 PolarHBondContact NH2-O 3.02Å
333T80.6Confident81Confident34 Ų3428.5 Ų28.521%0.20916%0.156CC..Hα-helixtrans-62.3-45.2-177.8-63.70000112.3L283 P329 W330 E336 H337 W1557L283-T333 HydrophobicContact CD2-CG2 4.35Å; P329-T333 VanDerWaalsContact O-CB 3.3Å; P329-T333 WeakPolarHBondContact O-CB 3.34Å; P329-T333 PolarHBondContact O-N 3.47Å; P329-T333 PolarHBondContact O-OG1 3.06Å; W330-T333 WeakPolarHBondContact O-CB 3.45Å; W330-T333 PolarHBondContact O-N 2.92Å; T333-E336 PolarHBondContact O-N 2.83Å; T333-H337 PolarHBondContact O-N 3.34Å; T333-W1557 HydrophobicContact CG2-CB 4.31Å; T333-W1557 HydrophobicContact CG2-CG 3.85Å
334I85.3Confident80.7Confident5 Ų527.9 Ų27.93%0.02616%0.156CC..Hα-helixtrans-68.1-39.1-179.6-16863.4000111.4V318 W330 N331 H337 L338V318-I334 HydrophobicContact CG1-CG1 4.17Å; V318-I334 HydrophobicContact CG1-CG2 3.69Å; V318-I334 HydrophobicContact CG2-CG1 3.86Å; W330-I334 HydrophobicContact CD2-CG2 4.41Å; W330-I334 HydrophobicContact CE3-CG2 4.47Å; W330-I334 HydrophobicContact CH2-CG2 4.13Å; W330-I334 HydrophobicContact CZ2-CB 4.25Å; W330-I334 HydrophobicContact CZ2-CG1 4.28Å; W330-I334 HydrophobicContact CZ2-CG2 4.07Å; W330-I334 HydrophobicContact CZ3-CG2 4.34Å; W330-I334 WeakPolarHBondContact O-CG2 3.44Å; W330-I334 PolarHBondContact O-N 2.99Å; N331-I334 WeakPolarHBondContact O-CG2 3.44Å; I334-H337 PolarHBondContact O-N 3.42Å; I334-L338 HydrophobicContact CG1-CD1 4.41Å; I334-L338 WeakPolarHBondContact O-CB 3.48Å; I334-L338 VanDerWaalsContact O-CG 3.27Å; I334-L338 WeakPolarHBondContact O-CG 3.32Å; I334-L338 PolarHBondContact O-N 3.36Å
335F87.7Confident80.9Confident1 Ų122.7 Ų22.70%0.00412%0.12CC..Hα-helixtrans-70.4-34.9173.7-84.3-88.3000113V318 L322 N331 R332 L338 I339 Y375 V376 W378 F379V318-F335 HydrophobicContact CG1-CD2 4.23Å; V318-F335 HydrophobicContact CG1-CE2 3.67Å; V318-F335 HydrophobicContact CG1-CZ 4.23Å; L322-F335 HydrophobicContact CD1-CD2 4.38Å; L322-F335 HydrophobicContact CD1-CE2 3.79Å; N331-F335 WeakPolarHBondContact O-CD2 3.2Å; N331-F335 PolarHBondContact O-N 2.79Å; R332-F335 PolarHBondContact O-N 3.27Å; F335-L338 PolarHBondContact O-N 3.32Å; F335-I339 WeakPolarHBondContact O-CB 3.38Å; F335-I339 VanDerWaalsContact O-CG1 3.22Å; F335-I339 WeakPolarHBondContact O-CG1 3.46Å; F335-I339 PolarHBondContact O-N 3.08Å; F335-Y375 HydrophobicContact CD2-CD1 4.12Å; F335-Y375 HydrophobicContact CD2-CG 4.31Å; F335-Y375 HydrophobicContact CE2-CG 4.37Å; F335-Y375 HydrophobicContact CG-CD1 4.36Å; F335-V376 HydrophobicContact CE1-CG2 4.38Å; F335-V376 HydrophobicContact CZ-CG2 4.42Å; F335-W378 HydrophobicContact CB-CE3 4.4Å; F335-W378 HydrophobicContact CB-CZ3 3.94Å; F335-F379 HydrophobicContact CD1-CB 4.15Å; F335-F379 HydrophobicContact CE1-CB 4.46Å
336E83.2Confident81.2Confident19 Ų1923.1 Ų23.19%0.08912%0.121CC..Hα-helixtrans-59.5-46169.8-76.5-179.6163.100111.3R332 T333 I339 S340 W378 R682 W1557R332-E336 WeakPolarHBondContact O-CB 3.39Å; R332-E336 WeakPolarHBondContact O-CG 3.13Å; R332-E336 PolarHBondContact O-N 3.02Å; T333-E336 PolarHBondContact O-N 2.83Å; E336-I339 PolarHBondContact O-N 3.37Å; E336-S340 PolarHBondContact O-N 3.03Å; E336-W378 HydrophobicContact CG-CH2 3.88Å; E336-R682 WeakPolarHBondContact OE1-CD 3.31Å; E336-R682 WeakPolarHBondContact OE1-CG 3.24Å; E336-R682 IonicContact OE1-CZ 3.78Å; E336-R682 IonicContact OE1-NE 2.76Å; E336-R682 PolarHBondContact OE1-NE 3.48Å; E336-R682 IonicContact OE1-NH2 3.11Å; E336-R682 IonicContact OE2-CZ 3.78Å; E336-R682 IonicContact OE2-NE 3.62Å; E336-R682 IonicContact OE2-NH2 2.73Å; E336-R682 PolarHBondContact OE2-NH2 3.33Å; E336-W1557 HydrophobicContact CB-CZ2 3.79Å; E336-W1557 PolarHBondContact OE2-NE1 2.97Å
337H85.7Confident81.6Confident5 Ų521.4 Ų21.42%0.02311%0.112CC..Hα-helixtrans-61.8-47.6175.3167.975.2000112L280 Q282 L283 R284 T333 I334 I339 S340 V341L280-H337 PolarHBondContact O-NE2 3.2Å; Q282-H337 PolarHBondContact O-CE1 3.39Å; Q282-H337 PolarHBondContact O-NE2 2.9Å; L283-H337 HydrophobicContact CD2-CB 3.86Å; R284-H337 PolarHBondContact N-CE1 2.97Å; T333-H337 PolarHBondContact O-N 3.34Å; I334-H337 PolarHBondContact O-N 3.42Å; H337-I339 VanDerWaalsContact C-N 3.33Å; H337-I339 PolarHBondContact O-N 3.08Å; H337-S340 PolarHBondContact O-N 3.38Å; H337-S340 VanDerWaalsContact O-N 3.14Å; H337-V341 VanDerWaalsContact CE1-CG2 3.46Å; H337-V341 WeakPolarHBondContact CE1-CG2 3.32Å; H337-V341 WeakPolarHBondContact O-CG2 3.2Å; H337-V341 PolarHBondContact O-N 2.84Å
338L88.9Confident81.7Confident2 Ų221.4 Ų21.41%0.0111%0.112CC..Hα-helixtrans-60.3-39.4177-72.2171000112.4L314 I315 I334 F335 M342 F379L314-L338 HydrophobicContact CD2-CD2 3.7Å; L314-L338 HydrophobicContact CG-CD2 4.12Å; I315-L338 HydrophobicContact CG1-CD1 4.26Å; I334-L338 HydrophobicContact CG1-CD1 4.41Å; I334-L338 WeakPolarHBondContact O-CB 3.48Å; I334-L338 VanDerWaalsContact O-CG 3.27Å; I334-L338 WeakPolarHBondContact O-CG 3.32Å; I334-L338 PolarHBondContact O-N 3.36Å; F335-L338 PolarHBondContact O-N 3.32Å; L338-M342 WeakPolarHBondContact O-CB 3.14Å; L338-M342 PolarHBondContact O-N 3.36Å; L338-F379 HydrophobicContact CB-CD2 4.37Å; L338-F379 HydrophobicContact CB-CE2 4.09Å
339I88.2Confident82Confident5 Ų522.4 Ų22.43%0.02612%0.124CC..Hα-helixtrans-61.6-48173.4-70.9166.1000110.3F335 E336 H337 M342 I343 W378 F379 N382 V686F335-I339 WeakPolarHBondContact O-CB 3.38Å; F335-I339 VanDerWaalsContact O-CG1 3.22Å; F335-I339 WeakPolarHBondContact O-CG1 3.46Å; F335-I339 PolarHBondContact O-N 3.08Å; E336-I339 PolarHBondContact O-N 3.37Å; H337-I339 VanDerWaalsContact C-N 3.33Å; H337-I339 PolarHBondContact O-N 3.08Å; I339-M342 PolarHBondContact O-N 2.91Å; I339-I343 HydrophobicContact CG2-CD1 3.64Å; I339-I343 HydrophobicContact CG2-CG1 4.42Å; I339-I343 WeakPolarHBondContact O-CB 3.25Å; I339-I343 VanDerWaalsContact O-CG1 3.3Å; I339-I343 WeakPolarHBondContact O-CG1 3.07Å; I339-I343 PolarHBondContact O-N 3.04Å; I339-W378 HydrophobicContact CD1-CD2 4.21Å; I339-W378 HydrophobicContact CD1-CE3 3.79Å; I339-W378 HydrophobicContact CD1-CH2 3.76Å; I339-W378 HydrophobicContact CD1-CZ2 4.16Å; I339-W378 HydrophobicContact CD1-CZ3 3.56Å; I339-F379 HydrophobicContact CG1-CB 4.41Å; I339-F379 HydrophobicContact CG1-CD2 3.63Å; I339-F379 HydrophobicContact CG1-CE2 4.32Å; I339-F379 HydrophobicContact CG1-CG 4.37Å; I339-N382 HydrophobicContact CD1-CB 4.14Å; I339-N382 HydrophobicContact CG1-CB 4.42Å; I339-N382 HydrophobicContact CG2-CB 3.95Å; I339-V686 HydrophobicContact CG2-CG2 4.22Å
340S82.8Confident82.2Confident6 Ų621.5 Ų21.54%0.04212%0.118CC..Hα-helixtrans-62.4-46.9-179.4-175.90000112E336 H337 I343 T344E336-S340 PolarHBondContact O-N 3.03Å; H337-S340 PolarHBondContact O-N 3.38Å; H337-S340 VanDerWaalsContact O-N 3.14Å; S340-I343 PolarHBondContact O-N 2.87Å; S340-T344 WeakPolarHBondContact O-CB 3.35Å; S340-T344 PolarHBondContact O-N 3.28Å; S340-T344 PolarHBondContact O-OG1 2.79Å
341V85.2Confident82.4Confident5 Ų520.6 Ų20.63%0.0312%0.115CC..Hα-helixtrans-61.7-47.3176.9171.50000111.1L280 L311 H337 T344 F345L280-V341 HydrophobicContact CD2-CG1 4.21Å; L311-V341 HydrophobicContact CD2-CG1 4.23Å; H337-V341 VanDerWaalsContact CE1-CG2 3.46Å; H337-V341 WeakPolarHBondContact CE1-CG2 3.32Å; H337-V341 WeakPolarHBondContact O-CG2 3.2Å; H337-V341 PolarHBondContact O-N 2.84Å; V341-T344 PolarHBondContact O-N 3.49Å; V341-F345 HydrophobicContact CG1-CD2 3.64Å; V341-F345 HydrophobicContact CG1-CE2 3.54Å; V341-F345 WeakPolarHBondContact O-CD2 3.45Å; V341-F345 PolarHBondContact O-N 3.44Å
342M87.2Confident82.6Confident1 Ų126.6 Ų26.61%0.00514%0.137CC..Hα-helixtrans-59.9-49.4178.3-175.661.572.500111.9L311 L338 I339 T344 F345 M346 V351 I356 F379L311-M342 HydrophobicContact CB-CE 4.1Å; L311-M342 HydrophobicContact CD1-CE 3.79Å; L311-M342 HydrophobicContact CD1-SD 4.25Å; L311-M342 HydrophobicContact CG-CE 4.36Å; L338-M342 WeakPolarHBondContact O-CB 3.14Å; L338-M342 PolarHBondContact O-N 3.36Å; I339-M342 PolarHBondContact O-N 2.91Å; M342-T344 VanDerWaalsContact C-N 3.3Å; M342-T344 PolarHBondContact O-N 3.22Å; M342-F345 PolarHBondContact O-N 3.45Å; M342-M346 HydrophobicContact CG-CG 4.45Å; M342-M346 HydrophobicContact CG-SD 3.9Å; M342-M346 WeakPolarHBondContact O-CB 3.24Å; M342-M346 VanDerWaalsContact O-CG 3.28Å; M342-M346 WeakPolarHBondContact O-CG 3.14Å; M342-M346 PolarHBondContact O-N 3.32Å; M342-M346 HydrophobicContact SD-CG 4.39Å; M342-M346 HydrophobicContact SD-SD 4.36Å; M342-V351 HydrophobicContact SD-CG1 3.89Å; M342-I356 HydrophobicContact CE-CD1 3.45Å; M342-I356 VanDerWaalsContact CE-CD1 3.45Å; M342-I356 HydrophobicContact CE-CG1 4.43Å; M342-I356 HydrophobicContact CE-CG2 4.18Å; M342-I356 HydrophobicContact SD-CD1 3.55Å; M342-I356 VanDerWaalsContact SD-CD1 3.55Å; M342-F379 HydrophobicContact CB-CE2 4.16Å; M342-F379 HydrophobicContact CB-CZ 4.07Å; M342-F379 HydrophobicContact CE-CZ 3.75Å; M342-F379 HydrophobicContact CG-CE2 4.47Å; M342-F379 HydrophobicContact CG-CZ 3.91Å
343I84.2Confident83Confident9 Ų925.4 Ų25.45%0.04613%0.133CC..Hα-helixtrans-62.1-39.3179.3-70.7173.9000110.7I339 S340 M346 L347 V686 E726I339-I343 HydrophobicContact CG2-CD1 3.64Å; I339-I343 HydrophobicContact CG2-CG1 4.42Å; I339-I343 WeakPolarHBondContact O-CB 3.25Å; I339-I343 VanDerWaalsContact O-CG1 3.3Å; I339-I343 WeakPolarHBondContact O-CG1 3.07Å; I339-I343 PolarHBondContact O-N 3.04Å; S340-I343 PolarHBondContact O-N 2.87Å; I343-M346 PolarHBondContact O-N 3.3Å; I343-L347 HydrophobicContact CG2-CD1 3.95Å; I343-L347 HydrophobicContact CG2-CG 4.33Å; I343-L347 WeakPolarHBondContact O-CB 3.36Å; I343-L347 VanDerWaalsContact O-CG 3.26Å; I343-L347 WeakPolarHBondContact O-CG 3.28Å; I343-L347 PolarHBondContact O-N 3.1Å; I343-V686 HydrophobicContact CD1-CB 4.21Å; I343-V686 HydrophobicContact CD1-CG1 4.11Å; I343-V686 HydrophobicContact CD1-CG2 3.88Å; I343-E726 HydrophobicContact CD1-CG 4.42Å; I343-E726 HydrophobicContact CG2-CB 4.47Å
344T78.3Confident83.3Confident31 Ų3125.9 Ų25.919%0.1913%0.134CC..Hα-helixtrans-65.4-44.5179.6-53.50000111.5F286 S340 V341 M342 L347 N348F286-T344 HydrophobicContact CD1-CG2 4.23Å; F286-T344 HydrophobicContact CD2-CG2 3.71Å; F286-T344 HydrophobicContact CE1-CG2 4.11Å; F286-T344 HydrophobicContact CE2-CG2 3.57Å; F286-T344 HydrophobicContact CG-CG2 4.07Å; F286-T344 HydrophobicContact CZ-CG2 3.8Å; S340-T344 WeakPolarHBondContact O-CB 3.35Å; S340-T344 PolarHBondContact O-N 3.28Å; S340-T344 PolarHBondContact O-OG1 2.79Å; V341-T344 PolarHBondContact O-N 3.49Å; M342-T344 VanDerWaalsContact C-N 3.3Å; M342-T344 PolarHBondContact O-N 3.22Å; T344-L347 PolarHBondContact O-N 2.9Å; T344-N348 PolarHBondContact O-N 2.66Å; T344-N348 PolarHBondContact O-ND2 2.81Å
345F83.4Confident83.5Confident2 Ų228.8 Ų28.81%0.00915%0.148CC..Hα-helixtrans-69.1-34.7175.2-75.5-52.4000113.3L280 F286 T289 T290 L307 V341 M342 N348 S349 T350 V351L280-F345 HydrophobicContact CD2-CE2 4.18Å; F286-F345 HydrophobicContact CD2-CD1 4.12Å; F286-F345 AromaticContact CD2-CE1 3.65Å; F286-F345 HydrophobicContact CD2-CE1 3.65Å; F286-F345 HydrophobicContact CD2-CE2 4.24Å; F286-F345 AromaticContact CD2-CZ 3.71Å; F286-F345 HydrophobicContact CD2-CZ 3.71Å; F286-F345 AromaticContact CE2-CD1 3.76Å; F286-F345 HydrophobicContact CE2-CD1 3.76Å; F286-F345 AromaticContact CE2-CE1 3.49Å; F286-F345 HydrophobicContact CE2-CE1 3.49Å; F286-F345 VanDerWaalsContact CE2-CE1 3.49Å; F286-F345 HydrophobicContact CE2-CZ 4.07Å; T289-F345 HydrophobicContact CG2-CZ 3.83Å; T290-F345 HydrophobicContact CG2-CE1 3.85Å; L307-F345 HydrophobicContact CD1-CE2 4.08Å; L307-F345 HydrophobicContact CD1-CZ 4.34Å; L307-F345 HydrophobicContact CD2-CD1 3.86Å; L307-F345 HydrophobicContact CD2-CD2 4.07Å; L307-F345 HydrophobicContact CD2-CE1 3.82Å; L307-F345 HydrophobicContact CD2-CE2 4.03Å; L307-F345 HydrophobicContact CD2-CG 3.99Å; L307-F345 HydrophobicContact CD2-CZ 3.92Å; V341-F345 HydrophobicContact CG1-CD2 3.64Å; V341-F345 HydrophobicContact CG1-CE2 3.54Å; V341-F345 WeakPolarHBondContact O-CD2 3.45Å; V341-F345 PolarHBondContact O-N 3.44Å; M342-F345 PolarHBondContact O-N 3.45Å; F345-N348 CarbonylContact O-C 3.53Å; F345-N348 PolarHBondContact O-N 3.46Å; F345-S349 PolarHBondContact O-N 3.03Å; F345-S349 VanDerWaalsContact O-N 3.07Å; F345-T350 WeakPolarHBondContact CB-OG1 3.44Å; F345-T350 VanDerWaalsContact CD1-OG1 3.29Å; F345-T350 WeakPolarHBondContact CD1-OG1 3.24Å; F345-T350 PolarHBondContact O-N 3.24Å; F345-T350 VanDerWaalsContact O-N 3.16Å; F345-T350 PolarHBondContact O-OG1 2.82Å; F345-V351 HydrophobicContact CB-CB 4.1Å; F345-V351 HydrophobicContact CB-CG2 3.91Å; F345-V351 HydrophobicContact CG-CG2 4.45Å
346M81.7Confident83.7Confident22 Ų2228.9 Ų28.911%0.10815%0.148CC..Hα-helixtrans-63.1-44.6172.1-75.2175.46300111.9M342 I343 N348 S349 F353 F387M342-M346 HydrophobicContact CG-CG 4.45Å; M342-M346 HydrophobicContact CG-SD 3.9Å; M342-M346 WeakPolarHBondContact O-CB 3.24Å; M342-M346 VanDerWaalsContact O-CG 3.28Å; M342-M346 WeakPolarHBondContact O-CG 3.14Å; M342-M346 PolarHBondContact O-N 3.32Å; M342-M346 HydrophobicContact SD-CG 4.39Å; M342-M346 HydrophobicContact SD-SD 4.36Å; I343-M346 PolarHBondContact O-N 3.3Å; M346-N348 VanDerWaalsContact C-N 3.31Å; M346-N348 PolarHBondContact O-N 3.02Å; M346-S349 PolarHBondContact O-N 3.21Å; M346-F353 HydrophobicContact CE-CB 3.82Å; M346-F353 HydrophobicContact CE-CG 4.32Å; M346-F353 HydrophobicContact SD-CB 3.94Å; M346-F353 HydrophobicContact SD-CD2 4.21Å; M346-F353 HydrophobicContact SD-CG 4.34Å; M346-F387 HydrophobicContact CB-CZ 4.2Å; M346-F387 HydrophobicContact CE-CD1 4.2Å; M346-F387 HydrophobicContact CE-CD2 3.69Å; M346-F387 HydrophobicContact CE-CE1 4.33Å; M346-F387 HydrophobicContact CE-CE2 3.83Å; M346-F387 HydrophobicContact CE-CG 3.88Å; M346-F387 HydrophobicContact CE-CZ 4.15Å
347L76.9Confident84.1Confident92 Ų9228 Ų2848%0.48215%0.145SC..Hα-helixtrans-61.8-39.3175.5-71.9171000111.8I343 T344 S349 F387I343-L347 HydrophobicContact CG2-CD1 3.95Å; I343-L347 HydrophobicContact CG2-CG 4.33Å; I343-L347 WeakPolarHBondContact O-CB 3.36Å; I343-L347 VanDerWaalsContact O-CG 3.26Å; I343-L347 WeakPolarHBondContact O-CG 3.28Å; I343-L347 PolarHBondContact O-N 3.1Å; T344-L347 PolarHBondContact O-N 2.9Å; L347-S349 PolarHBondContact O-N 3.12Å; L347-F387 HydrophobicContact CD2-CE1 4.13Å; L347-F387 HydrophobicContact CD2-CZ 3.95Å; L347-F387 HydrophobicContact CG-CZ 4.19Å
348N73.2Confident84.4Confident40 Ų4031.4 Ų31.421%0.21417%0.165CC..THydrogen-bonded Turntrans-75.2-4.1175-71.2-31.8000114.2F286 T344 F345 M346 T350F286-N348 VanDerWaalsContact CZ-ND2 3.28Å; F286-N348 WeakPolarHBondContact CZ-ND2 3.43Å; T344-N348 PolarHBondContact O-N 2.66Å; T344-N348 PolarHBondContact O-ND2 2.81Å; F345-N348 CarbonylContact O-C 3.53Å; F345-N348 PolarHBondContact O-N 3.46Å; M346-N348 VanDerWaalsContact C-N 3.31Å; M346-N348 PolarHBondContact O-N 3.02Å; N348-T350 HydrophobicContact CB-CG2 4.23Å; N348-T350 PolarHBondContact O-N 2.97Å
349S76.7Confident84.5Confident68 Ų6833.1 Ų33.148%0.47617%0.173SC..THydrogen-bonded Turntrans6320.9179.3-43.50000115.1F345 M346 L347F345-S349 PolarHBondContact O-N 3.03Å; F345-S349 VanDerWaalsContact O-N 3.07Å; M346-S349 PolarHBondContact O-N 3.21Å; L347-S349 PolarHBondContact O-N 3.12Å
350T76.4Confident84.7Confident32 Ų3233 Ų3320%0.19617%0.172CC..SBendtrans-82.7-19.4179.758.90000113.2R303 S304 F345 N348R303-T350 WeakPolarHBondContact CA-O 3.49Å; S304-T350 PolarHBondContact N-O 3.15Å; F345-T350 WeakPolarHBondContact CB-OG1 3.44Å; F345-T350 VanDerWaalsContact CD1-OG1 3.29Å; F345-T350 WeakPolarHBondContact CD1-OG1 3.24Å; F345-T350 PolarHBondContact O-N 3.24Å; F345-T350 VanDerWaalsContact O-N 3.16Å; F345-T350 PolarHBondContact O-OG1 2.82Å; N348-T350 HydrophobicContact CB-CG2 4.23Å; N348-T350 PolarHBondContact O-N 2.97Å
351V84.8Confident85.2Confident8 Ų832.9 Ų32.95%0.04817%0.171CC..  trans-134.9139.3-168.4163.10000110.1L307 E308 L311 M342 F345 I356L307-V351 HydrophobicContact CD2-CG2 3.67Å; L307-V351 HydrophobicContact CG-CG2 3.88Å; E308-V351 HydrophobicContact CG-CG1 4.2Å; E308-V351 HydrophobicContact CG-CG2 4.34Å; L311-V351 HydrophobicContact CD1-CG1 4.42Å; L311-V351 HydrophobicContact CD1-CG2 4.24Å; M342-V351 HydrophobicContact SD-CG1 3.89Å; F345-V351 HydrophobicContact CB-CB 4.1Å; F345-V351 HydrophobicContact CB-CG2 3.91Å; F345-V351 HydrophobicContact CG-CG2 4.45Å; V351-I356 HydrophobicContact CG1-CD1 3.19Å; V351-I356 HydrophobicContact CG1-CG1 4.44Å
352R85.2Confident85.5Confident133 Ų13336.5 Ų36.550%0.50220%0.197SC..  trans-107.9119.7174.6-66.6-170.9-179147.81.4112.4E308 N354 E355 I356E308-R352 PolarHBondContact OE1-N 3.03Å; E308-R352 VanDerWaalsContact OE1-N 3.14Å; R352-N354 WeakPolarHBondContact CB-OD1 3.48Å; R352-N354 PolarHBondContact O-N 2.84Å; R352-E355 HydrophobicContact CB-CB 4.27Å; R352-E355 HydrophobicContact CB-CG 3.9Å; R352-E355 PolarHBondContact O-N 3.31Å; R352-I356 PolarHBondContact O-N 2.91Å
353F87Confident85.6Confident14 Ų1439.7 Ų39.76%0.06121%0.21CC..Hα-helixtrans-62.7-41.6-176.4-179.6-106.4000113.9M346 E355 I356 V357 F379 V380 A383 T384M346-F353 HydrophobicContact CE-CB 3.82Å; M346-F353 HydrophobicContact CE-CG 4.32Å; M346-F353 HydrophobicContact SD-CB 3.94Å; M346-F353 HydrophobicContact SD-CD2 4.21Å; M346-F353 HydrophobicContact SD-CG 4.34Å; F353-E355 VanDerWaalsContact C-N 3.28Å; F353-E355 PolarHBondContact O-N 3.46Å; F353-I356 PolarHBondContact O-N 2.82Å; F353-V357 HydrophobicContact CD1-CG2 4.19Å; F353-V357 HydrophobicContact CD2-CG2 4.4Å; F353-V357 HydrophobicContact CE1-CG2 3.67Å; F353-V357 HydrophobicContact CE2-CG2 3.9Å; F353-V357 HydrophobicContact CZ-CG2 3.51Å; F353-V357 WeakPolarHBondContact O-CG2 3.47Å; F353-V357 PolarHBondContact O-N 3.27Å; F353-F379 HydrophobicContact CE2-CE1 4.33Å; F353-V380 HydrophobicContact CZ-CG1 4.22Å; F353-V380 HydrophobicContact CZ-CG2 4.41Å; F353-A383 HydrophobicContact CD2-CB 3.76Å; F353-A383 HydrophobicContact CE1-CB 4.47Å; F353-A383 HydrophobicContact CE2-CB 3.31Å; F353-A383 HydrophobicContact CZ-CB 3.71Å; F353-T384 HydrophobicContact CE1-CG2 3.62Å; F353-T384 HydrophobicContact CZ-CG2 4.07Å
354N87.7Confident85.9Confident44 Ų4439.2 Ų39.224%0.23521%0.208CC..Hα-helixtrans-58.2-41.3178.967.7-46.2000111.8R352 V357 V358 D395R352-N354 WeakPolarHBondContact CB-OD1 3.48Å; R352-N354 PolarHBondContact O-N 2.84Å; N354-V357 PolarHBondContact O-N 3.2Å; N354-V358 WeakPolarHBondContact O-CG2 3.46Å; N354-V358 PolarHBondContact O-N 3.43Å; N354-D395 HydrophobicContact CB-CB 4.42Å
355E89.2Confident86.3Confident66 Ų6642.8 Ų42.831%0.30822%0.223SC..Hα-helixtrans-68.8-37.2-179.4-61.2-88.8139.400111.7R303 R352 F353 V358 K359R303-E355 IonicContact CZ-OE2 3.09Å; R303-E355 IonicContact NH1-OE2 2.81Å; R303-E355 PolarHBondContact NH1-OE2 2.95Å; R303-E355 VanDerWaalsContact NH2-CD 3.26Å; R303-E355 IonicContact NH2-OE2 3.83Å; R303-E355 PolarHBondContact NH2-OE2 3.35Å; R352-E355 HydrophobicContact CB-CB 4.27Å; R352-E355 HydrophobicContact CB-CG 3.9Å; R352-E355 PolarHBondContact O-N 3.31Å; F353-E355 VanDerWaalsContact C-N 3.28Å; F353-E355 PolarHBondContact O-N 3.46Å; E355-V358 PolarHBondContact O-N 3.04Å; E355-K359 WeakPolarHBondContact O-CB 3.38Å; E355-K359 WeakPolarHBondContact O-CD 3.15Å; E355-K359 VanDerWaalsContact O-CG 3.24Å; E355-K359 WeakPolarHBondContact O-CG 3.25Å; E355-K359 PolarHBondContact O-N 3.44Å
356I91.1Very high86.2Confident2 Ų246.9 Ų46.91%0.0127%0.265CS..Hα-helixtrans-62.9-45.9171.8-73.3154.1000111E308 V312 M342 V351 R352 F353 V358 K359 L360E308-I356 HydrophobicContact CB-CG1 4.23Å; E308-I356 HydrophobicContact CG-CD1 4.43Å; E308-I356 HydrophobicContact CG-CG1 4.25Å; V312-I356 HydrophobicContact CG2-CB 4.28Å; V312-I356 HydrophobicContact CG2-CG1 4.33Å; V312-I356 HydrophobicContact CG2-CG2 3.85Å; M342-I356 HydrophobicContact CE-CD1 3.45Å; M342-I356 VanDerWaalsContact CE-CD1 3.45Å; M342-I356 HydrophobicContact CE-CG1 4.43Å; M342-I356 HydrophobicContact CE-CG2 4.18Å; M342-I356 HydrophobicContact SD-CD1 3.55Å; M342-I356 VanDerWaalsContact SD-CD1 3.55Å; V351-I356 HydrophobicContact CG1-CD1 3.19Å; V351-I356 HydrophobicContact CG1-CG1 4.44Å; R352-I356 PolarHBondContact O-N 2.91Å; F353-I356 PolarHBondContact O-N 2.82Å; I356-V358 VanDerWaalsContact C-N 3.33Å; I356-V358 PolarHBondContact O-N 2.94Å; I356-K359 PolarHBondContact O-N 3.18Å; I356-L360 VanDerWaalsContact O-CB 3.27Å; I356-L360 WeakPolarHBondContact O-CB 3.29Å; I356-L360 PolarHBondContact O-N 3.16Å
357V91.9Very high86.1Confident2 Ų251.1 Ų51.11%0.01228%0.28CS..Hα-helixtrans-65.2-37.5178.6178.20000111.1F353 N354 L360 N361 P398 L402F353-V357 HydrophobicContact CD1-CG2 4.19Å; F353-V357 HydrophobicContact CD2-CG2 4.4Å; F353-V357 HydrophobicContact CE1-CG2 3.67Å; F353-V357 HydrophobicContact CE2-CG2 3.9Å; F353-V357 HydrophobicContact CZ-CG2 3.51Å; F353-V357 WeakPolarHBondContact O-CG2 3.47Å; F353-V357 PolarHBondContact O-N 3.27Å; N354-V357 PolarHBondContact O-N 3.2Å; V357-L360 PolarHBondContact O-N 3.41Å; V357-N361 WeakPolarHBondContact O-CB 3.24Å; V357-N361 PolarHBondContact O-N 3.03Å; V357-N361 PolarHBondContact O-ND2 2.94Å; V357-P398 HydrophobicContact CB-CB 4.19Å; V357-P398 HydrophobicContact CG1-CB 3.66Å; V357-P398 WeakPolarHBondContact CG1-O 3.5Å; V357-L402 HydrophobicContact CG1-CB 4.4Å; V357-L402 HydrophobicContact CG1-CD2 4.23Å
358V92.6Very high86.1Confident76 Ų7652.9 Ų52.946%0.46130%0.295SS..Hα-helixtrans-64.1-46.1173.5169.90000111.7N354 E355 I356 N361 S362 P398N354-V358 WeakPolarHBondContact O-CG2 3.46Å; N354-V358 PolarHBondContact O-N 3.43Å; E355-V358 PolarHBondContact O-N 3.04Å; I356-V358 VanDerWaalsContact C-N 3.33Å; I356-V358 PolarHBondContact O-N 2.94Å; V358-N361 WeakPolarHBondContact O-CB 3.44Å; V358-N361 PolarHBondContact O-N 3.16Å; V358-S362 PolarHBondContact O-N 3.5Å; V358-S362 VanDerWaalsContact O-N 3.12Å; V358-P398 HydrophobicContact CG2-CB 4Å; V358-P398 HydrophobicContact CG2-CG 3.91Å
359K92.1Very high86.4Confident37 Ų3752.5 Ų52.516%0.16129%0.29CS..Hα-helixtrans-62.5-41.2175.3-72.9164.8177.41770111.7E308 L309 V312 E355 I356 S362 K363E308-K359 IonicContact OE2-NZ 3.88Å; E308-K359 PolarHBondContact OE2-NZ 2.85Å; L309-K359 HydrophobicContact CD2-CD 4.05Å; V312-K359 HydrophobicContact CG1-CB 4.19Å; V312-K359 HydrophobicContact CG2-CB 3.82Å; V312-K359 HydrophobicContact CG2-CD 4.43Å; E355-K359 WeakPolarHBondContact O-CB 3.38Å; E355-K359 WeakPolarHBondContact O-CD 3.15Å; E355-K359 VanDerWaalsContact O-CG 3.24Å; E355-K359 WeakPolarHBondContact O-CG 3.25Å; E355-K359 PolarHBondContact O-N 3.44Å; I356-K359 PolarHBondContact O-N 3.18Å; K359-S362 PolarHBondContact O-N 3.37Å; K359-S362 PolarHBondContact O-OG 3.41Å; K359-K363 PolarHBondContact O-N 2.82Å; K359-K363 VanDerWaalsContact O-N 3.14Å
360L92.1Very high86.3Confident3 Ų353.9 Ų53.92%0.01630%0.296CS..Hα-helixtrans-64.7-44.8176.6-171.365.8000111.3I315 V316 I356 V357 S362 K363 L364 V376 L402I315-L360 HydrophobicContact CG2-CD1 3.98Å; V316-L360 HydrophobicContact CG2-CD1 4.17Å; I356-L360 VanDerWaalsContact O-CB 3.27Å; I356-L360 WeakPolarHBondContact O-CB 3.29Å; I356-L360 PolarHBondContact O-N 3.16Å; V357-L360 PolarHBondContact O-N 3.41Å; L360-S362 VanDerWaalsContact C-N 3.28Å; L360-S362 PolarHBondContact O-N 2.71Å; L360-K363 PolarHBondContact O-N 3.02Å; L360-K363 VanDerWaalsContact O-N 3.08Å; L360-L364 HydrophobicContact CD1-CD1 3.8Å; L360-L364 HydrophobicContact CD1-CD2 4.38Å; L360-L364 HydrophobicContact CD1-CG 3.95Å; L360-L364 HydrophobicContact CD2-CD1 4.28Å; L360-L364 HydrophobicContact CG-CD1 3.71Å; L360-L364 HydrophobicContact CG-CG 4.13Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 3.35Å; L360-V376 HydrophobicContact CD2-CG1 4.08Å; L360-L402 HydrophobicContact CD2-CD1 4.25Å; L360-L402 HydrophobicContact CD2-CD2 4.01Å; L360-L402 HydrophobicContact CG-CD1 4.4Å
361N91.7Very high86.3Confident4 Ų456.2 Ų56.22%0.02130%0.303CS..Hα-helixtrans-51.9-48172.2-76.4-26.8000111.1V357 V358 K363 L364 E365 P398 L402 I405V357-N361 WeakPolarHBondContact O-CB 3.24Å; V357-N361 PolarHBondContact O-N 3.03Å; V357-N361 PolarHBondContact O-ND2 2.94Å; V358-N361 WeakPolarHBondContact O-CB 3.44Å; V358-N361 PolarHBondContact O-N 3.16Å; N361-K363 VanDerWaalsContact C-N 3.32Å; N361-K363 PolarHBondContact O-N 2.94Å; N361-L364 PolarHBondContact O-N 2.87Å; N361-E365 WeakPolarHBondContact O-CB 3.33Å; N361-E365 PolarHBondContact O-N 2.83Å; N361-P398 PolarHBondContact ND2-O 2.84Å; N361-L402 WeakPolarHBondContact OD1-CA 3.48Å; N361-L402 WeakPolarHBondContact OD1-CB 3.43Å; N361-L402 WeakPolarHBondContact OD1-CD1 3.5Å; N361-L402 PolarHBondContact OD1-N 3.18Å; N361-I405 HydrophobicContact CB-CD1 4.06Å
362S91.7Very high86.3Confident81 Ų8155.9 Ų55.957%0.56630%0.301SS*.Hα-helixtrans-67.2-25179.764.90000115.1V358 K359 L360V358-S362 PolarHBondContact O-N 3.5Å; V358-S362 VanDerWaalsContact O-N 3.12Å; K359-S362 PolarHBondContact O-N 3.37Å; K359-S362 PolarHBondContact O-OG 3.41Å; L360-S362 VanDerWaalsContact C-N 3.28Å; L360-S362 PolarHBondContact O-N 2.71Å
363K90Very high86.4Confident67 Ų6749.6 Ų49.629%0.29128%0.278SS..Hα-helixtrans-87.3-26.2176.1-76-160.6-177175.50114V312 E313 V316 K359 L360 N361V312-K363 HydrophobicContact CG1-CD 3.9Å; V312-K363 HydrophobicContact CG1-CG 4.49Å; E313-K363 IonicContact OE2-NZ 1.78Å; E313-K363 PolarHBondContact OE2-NZ 3.24Å; V316-K363 HydrophobicContact CG2-CB 4.23Å; V316-K363 HydrophobicContact CG2-CD 4.03Å; K359-K363 PolarHBondContact O-N 2.82Å; K359-K363 VanDerWaalsContact O-N 3.14Å; L360-K363 PolarHBondContact O-N 3.02Å; L360-K363 VanDerWaalsContact O-N 3.08Å; N361-K363 VanDerWaalsContact C-N 3.32Å; N361-K363 PolarHBondContact O-N 2.94Å
364L90.3Very high86.4Confident0 Ų049.6 Ų49.60%028%0.278CS..Hα-helixtrans-95.1-16.6-178-59-174.8000113.4V316 M319 L360 N361 G366 R367 W369 L402 I405 L406V316-L364 HydrophobicContact CG2-CD2 4.22Å; M319-L364 HydrophobicContact CE-CD1 3.98Å; M319-L364 HydrophobicContact CE-CD2 3.9Å; M319-L364 HydrophobicContact SD-CD1 4.12Å; M319-L364 HydrophobicContact SD-CD2 3.97Å; L360-L364 HydrophobicContact CD1-CD1 3.8Å; L360-L364 HydrophobicContact CD1-CD2 4.38Å; L360-L364 HydrophobicContact CD1-CG 3.95Å; L360-L364 HydrophobicContact CD2-CD1 4.28Å; L360-L364 HydrophobicContact CG-CD1 3.71Å; L360-L364 HydrophobicContact CG-CG 4.13Å; L360-L364 WeakPolarHBondContact O-CG 3.32Å; L360-L364 PolarHBondContact O-N 3.35Å; N361-L364 PolarHBondContact O-N 2.87Å; L364-G366 PolarHBondContact O-N 3.47Å; L364-R367 PolarHBondContact O-N 3.37Å; L364-W369 HydrophobicContact CD2-CZ2 4.07Å; L364-L402 HydrophobicContact CD1-CD1 3.95Å; L364-I405 HydrophobicContact CB-CG2 4.01Å; L364-I405 WeakPolarHBondContact O-CG2 3.25Å; L364-L406 HydrophobicContact CD1-CD2 4.24Å
365E86.6Confident86.4Confident106 Ų10648.2 Ų48.250%0.49527%0.269SS..THydrogen-bonded Turntrans-54.9126.7176.4-171.1150.2-119.100111.4N361 R401 I405N361-E365 WeakPolarHBondContact O-CB 3.33Å; N361-E365 PolarHBondContact O-N 2.83Å; E365-R401 IonicContact OE1-CZ 2.71Å; E365-R401 IonicContact OE1-NE 2.97Å; E365-R401 IonicContact OE1-NH2 3.75Å; E365-R401 PolarHBondContact OE1-NH2 3.21Å; E365-R401 IonicContact OE2-NH2 3.25Å; E365-R401 PolarHBondContact OE2-NH2 2.96Å; E365-I405 HydrophobicContact CB-CD1 4.47Å
366G81.1Confident86.6Confident87 Ų8745.1 Ų45.190%0.89726%0.255SS*.THydrogen-bonded Turntrans84-2.8-176.600000116.4L364L364-G366 PolarHBondContact O-N 3.47Å
367R80.8Confident86.5Confident112 Ų11245 Ų4542%0.42325%0.254SS..  trans-105.6136.1175.9-60.8-175.2-176.8-161.43.5111.6E320 L364 W369E320-R367 IonicContact OE1-CZ 3.81Å; E320-R367 IonicContact OE1-NH1 2.75Å; E320-R367 PolarHBondContact OE1-NH1 3.13Å; L364-R367 PolarHBondContact O-N 3.37Å; R367-W369 HydrophobicContact CB-CZ2 4.29Å
368T76.4Confident86.4Confident129 Ų12945.4 Ų45.479%0.79126%0.256SS*.  trans-94.9124.4174.753.90000111.4
369W79.4Confident86.4Confident31 Ų3142.1 Ų42.112%0.11724%0.235CC..  trans-120.3128.1-177.7-63.199.3000110.1M319 E320 E323 L364 R367 S372 S373 L406M319-W369 HydrophobicContact CB-CE3 4.32Å; M319-W369 HydrophobicContact CB-CH2 4.16Å; M319-W369 HydrophobicContact CB-CZ3 3.94Å; M319-W369 HydrophobicContact CE-CB 4.36Å; M319-W369 HydrophobicContact CE-CD2 3.56Å; M319-W369 HydrophobicContact CE-CE3 3.97Å; M319-W369 HydrophobicContact CE-CG 3.73Å; M319-W369 HydrophobicContact CE-CZ2 4.32Å; E320-W369 HydrophobicContact CG-CH2 3.73Å; E320-W369 HydrophobicContact CG-CZ3 4.38Å; E323-W369 HydrophobicContact CG-CE3 3.51Å; E323-W369 HydrophobicContact CG-CZ3 3.64Å; L364-W369 HydrophobicContact CD2-CZ2 4.07Å; R367-W369 HydrophobicContact CB-CZ2 4.29Å; W369-S372 WeakPolarHBondContact CB-OG 3.45Å; W369-S373 WeakPolarHBondContact CB-OG 3.34Å; W369-S373 PolarHBondContact O-OG 3.17Å; W369-L406 HydrophobicContact CB-CD2 4.27Å; W369-L406 HydrophobicContact CG-CD2 4.46Å
370T73.3Confident86.4Confident97 Ų9740.4 Ų40.460%0.59523%0.228SC*.SBendtrans-110.1-42.6-171.468.40000113E323E323-T370 PolarHBondContact OE1-N 2.81Å; E323-T370 PolarHBondContact OE2-OG1 3.14Å
371K76.9Confident86.4Confident82 Ų8240.4 Ų40.436%0.35723%0.228SC..SBendtrans-92.9-43179.9-58.7179.1-168.5169.20111.6L322 E323 N326L322-K371 HydrophobicContact CD2-CB 3.62Å; E323-K371 PolarHBondContact O-NZ 3.03Å; E323-K371 PolarHBondContact OE1-N 2.94Å; E323-K371 PolarHBondContact OE2-N 3.42Å; N326-K371 PolarHBondContact OD1-NZ 3.36Å
372S85Confident86.2Confident0 Ų040.3 Ų40.30%023%0.227CC..Hα-helixtrans-72.3-28.7-171.750.90000114.4M319 E323 W369 H374 Y375 V376M319-S372 WeakPolarHBondContact CE-OG 3.49Å; E323-S372 WeakPolarHBondContact OE1-CB 3.42Å; E323-S372 PolarHBondContact OE1-N 2.92Å; E323-S372 PolarHBondContact OE1-OG 3.23Å; W369-S372 WeakPolarHBondContact CB-OG 3.45Å; S372-H374 VanDerWaalsContact C-N 3.28Å; S372-H374 PolarHBondContact O-N 3.44Å; S372-H374 VanDerWaalsContact O-N 3.14Å; S372-Y375 WeakPolarHBondContact O-CB 3.36Å; S372-Y375 PolarHBondContact O-N 2.84Å; S372-V376 PolarHBondContact O-N 3.15Å
373S87.3Confident86Confident2 Ų236.6 Ų36.61%0.01420%0.202CC..Hα-helixtrans-51.4-40.4-175.8-590000114.3W369 M377W369-S373 WeakPolarHBondContact CB-OG 3.34Å; W369-S373 PolarHBondContact O-OG 3.17Å; S373-M377 WeakPolarHBondContact O-CB 3.44Å; S373-M377 PolarHBondContact O-N 3.04Å
374H86.9Confident85.8Confident13 Ų1333.5 Ų33.56%0.0619%0.188CC..Hα-helixtrans-71.2-35.3178.1-69.3-78.2000113.2S372 M377 W378 F407 P420 P422 L541S372-H374 VanDerWaalsContact C-N 3.28Å; S372-H374 PolarHBondContact O-N 3.44Å; S372-H374 VanDerWaalsContact O-N 3.14Å; H374-M377 PolarHBondContact O-N 3.42Å; H374-W378 WeakPolarHBondContact O-CB 3.32Å; H374-W378 PolarHBondContact O-N 3.49Å; H374-F407 AromaticContact CE1-CE1 3.83Å; H374-F407 AromaticContact CE1-CZ 3.9Å; H374-F407 AromaticContact ND1-CZ 4Å; H374-P420 PolarHBondContact CE1-O 3.27Å; H374-P420 PolarHBondContact NE2-O 3.49Å; H374-P422 HydrophobicContact CB-CG 4.22Å; H374-L541 HydrophobicContact CB-CB 4.31Å
375Y88.9Confident85.4Confident16 Ų1633.5 Ų33.56%0.06319%0.188CC..Hα-helixtrans-69.2-41.5175.8-73.7-87.1000111.4L322 N331 R332 F335 S372 W378 F379 L541L322-Y375 HydrophobicContact CD1-CD2 3.87Å; L322-Y375 HydrophobicContact CD1-CE2 4.19Å; L322-Y375 HydrophobicContact CD1-CG 4.15Å; L322-Y375 HydrophobicContact CD2-CD2 4.41Å; N331-Y375 HydrophobicContact CB-CE1 4.38Å; R332-Y375 HydrophobicContact CG-CE1 3.91Å; F335-Y375 HydrophobicContact CD2-CD1 4.12Å; F335-Y375 HydrophobicContact CD2-CG 4.31Å; F335-Y375 HydrophobicContact CE2-CG 4.37Å; F335-Y375 HydrophobicContact CG-CD1 4.36Å; S372-Y375 WeakPolarHBondContact O-CB 3.36Å; S372-Y375 PolarHBondContact O-N 2.84Å; Y375-W378 PolarHBondContact O-N 2.88Å; Y375-F379 WeakPolarHBondContact O-CB 3.39Å; Y375-F379 PolarHBondContact O-N 2.96Å; Y375-L541 HydrophobicContact CD1-CD1 4.24Å; Y375-L541 HydrophobicContact CE1-CD1 3.82Å; Y375-L541 HydrophobicContact CE2-CD1 4.21Å
376V91.9Very high84.8Confident0 Ų030.3 Ų30.30%018%0.183CC..Hα-helixtrans-62.8-43.5173.9178.70000110.9M319 F335 L360 S372 W378 F379 V380 L402 L406M319-V376 HydrophobicContact CE-CG2 3.88Å; M319-V376 HydrophobicContact CG-CG2 4.03Å; M319-V376 HydrophobicContact SD-CG2 3.55Å; M319-V376 VanDerWaalsContact SD-CG2 3.55Å; F335-V376 HydrophobicContact CE1-CG2 4.38Å; F335-V376 HydrophobicContact CZ-CG2 4.42Å; L360-V376 HydrophobicContact CD2-CG1 4.08Å; S372-V376 PolarHBondContact O-N 3.15Å; V376-W378 VanDerWaalsContact C-N 3.32Å; V376-W378 PolarHBondContact O-N 3.12Å; V376-F379 WeakPolarHBondContact O-CB 3.35Å; V376-F379 PolarHBondContact O-N 2.88Å; V376-V380 WeakPolarHBondContact O-CG2 3.42Å; V376-V380 PolarHBondContact O-N 3.29Å; V376-L402 HydrophobicContact CG1-CD2 4.14Å; V376-L406 HydrophobicContact CB-CD1 4.17Å; V376-L406 HydrophobicContact CG1-CD1 3.96Å
377M90.7Very high84.8Confident0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-67.8-32178.5-15559.458.900112.8S373 H374 L381 F403 L406 F407 P545 L548S373-M377 WeakPolarHBondContact O-CB 3.44Å; S373-M377 PolarHBondContact O-N 3.04Å; H374-M377 PolarHBondContact O-N 3.42Å; M377-L381 WeakPolarHBondContact O-CB 3.49Å; M377-L381 PolarHBondContact O-N 3.5Å; M377-F403 HydrophobicContact CE-CB 3.93Å; M377-F403 HydrophobicContact CE-CD2 4.14Å; M377-L406 HydrophobicContact CE-CD1 3.82Å; M377-F407 HydrophobicContact CE-CD2 4.42Å; M377-F407 HydrophobicContact CE-CE2 4.09Å; M377-P545 HydrophobicContact CB-CG 4.42Å; M377-P545 HydrophobicContact CG-CB 4.03Å; M377-P545 HydrophobicContact CG-CG 3.85Å; M377-L548 HydrophobicContact CG-CD2 4.45Å; M377-L548 HydrophobicContact SD-CD2 3.43Å; M377-L548 WeakPolarHBondContact SD-CD2 3.42Å
378W89.6Confident84.7Confident11 Ų1122.9 Ų22.94%0.04213%0.13CC..Hα-helixtrans-70.7-38.8172176.769.8000113F335 E336 I339 H374 Y375 V376 L381 N382 H540 L541 A544F335-W378 HydrophobicContact CB-CE3 4.4Å; F335-W378 HydrophobicContact CB-CZ3 3.94Å; E336-W378 HydrophobicContact CG-CH2 3.88Å; I339-W378 HydrophobicContact CD1-CD2 4.21Å; I339-W378 HydrophobicContact CD1-CE3 3.79Å; I339-W378 HydrophobicContact CD1-CH2 3.76Å; I339-W378 HydrophobicContact CD1-CZ2 4.16Å; I339-W378 HydrophobicContact CD1-CZ3 3.56Å; H374-W378 WeakPolarHBondContact O-CB 3.32Å; H374-W378 PolarHBondContact O-N 3.49Å; Y375-W378 PolarHBondContact O-N 2.88Å; V376-W378 VanDerWaalsContact C-N 3.32Å; V376-W378 PolarHBondContact O-N 3.12Å; W378-L381 PolarHBondContact O-N 3.32Å; W378-N382 PolarHBondContact NE1-ND2 3.35Å; W378-N382 PolarHBondContact O-N 3.18Å; W378-N382 VanDerWaalsContact O-N 3.12Å; W378-N382 PolarHBondContact O-ND2 2.86Å; W378-H540 AromaticContact CD1-CD2 3.96Å; W378-H540 AromaticContact NE1-CD2 3.64Å; W378-L541 HydrophobicContact CB-CD2 3.51Å; W378-L541 HydrophobicContact CD2-CD2 3.65Å; W378-L541 HydrophobicContact CE3-CD2 4.09Å; W378-L541 HydrophobicContact CG-CD2 3.39Å; W378-A544 HydrophobicContact CB-CB 4.2Å
379F91.7Very high84.5Confident6 Ų619.6 Ų19.63%0.02612%0.121CC..Hα-helixtrans-57.5-49.6170.2170.7-87.6000110.9I315 F335 L338 I339 M342 F353 Y375 V376 L381 N382 A383I315-F379 HydrophobicContact CD1-CE1 4.09Å; I315-F379 HydrophobicContact CD1-CE2 4.48Å; I315-F379 HydrophobicContact CD1-CZ 3.93Å; F335-F379 HydrophobicContact CD1-CB 4.15Å; F335-F379 HydrophobicContact CE1-CB 4.46Å; L338-F379 HydrophobicContact CB-CD2 4.37Å; L338-F379 HydrophobicContact CB-CE2 4.09Å; I339-F379 HydrophobicContact CG1-CB 4.41Å; I339-F379 HydrophobicContact CG1-CD2 3.63Å; I339-F379 HydrophobicContact CG1-CE2 4.32Å; I339-F379 HydrophobicContact CG1-CG 4.37Å; M342-F379 HydrophobicContact CB-CE2 4.16Å; M342-F379 HydrophobicContact CB-CZ 4.07Å; M342-F379 HydrophobicContact CE-CZ 3.75Å; M342-F379 HydrophobicContact CG-CE2 4.47Å; M342-F379 HydrophobicContact CG-CZ 3.91Å; F353-F379 HydrophobicContact CE2-CE1 4.33Å; Y375-F379 WeakPolarHBondContact O-CB 3.39Å; Y375-F379 PolarHBondContact O-N 2.96Å; V376-F379 WeakPolarHBondContact O-CB 3.35Å; V376-F379 PolarHBondContact O-N 2.88Å; F379-L381 PolarHBondContact O-N 2.96Å; F379-N382 PolarHBondContact O-N 3.4Å; F379-A383 PolarHBondContact O-N 3.45Å; F379-A383 VanDerWaalsContact O-N 3.09Å
380V92.4Very high84.3Confident2 Ų227.5 Ų27.51%0.01216%0.156CC..Hα-helixtrans-59.4-47.2176.5171.40000111F353 V376 N382 A383 T384 C399 L402 L548F353-V380 HydrophobicContact CZ-CG1 4.22Å; F353-V380 HydrophobicContact CZ-CG2 4.41Å; V376-V380 WeakPolarHBondContact O-CG2 3.42Å; V376-V380 PolarHBondContact O-N 3.29Å; V380-N382 VanDerWaalsContact C-N 3.31Å; V380-N382 PolarHBondContact O-N 2.67Å; V380-A383 PolarHBondContact O-N 2.97Å; V380-T384 HydrophobicContact CG1-CG2 4.06Å; V380-T384 WeakPolarHBondContact O-CG2 3.44Å; V380-T384 PolarHBondContact O-N 3.36Å; V380-T384 PolarHBondContact O-OG1 3.41Å; V380-T384 VanDerWaalsContact O-OG1 3.08Å; V380-C399 HydrophobicContact CG1-CB 4.06Å; V380-L402 HydrophobicContact CG2-CD2 3.81Å; V380-L548 HydrophobicContact CG1-CD1 4.04Å; V380-L548 HydrophobicContact CG1-CD2 3.66Å
381L91Very high84.6Confident3 Ų325.9 Ų25.92%0.01614%0.144CC..Hα-helixtrans-56.2-42.2178.2176.264.3000113.1M377 W378 F379 T384 S385 A544 C547 L548M377-L381 WeakPolarHBondContact O-CB 3.49Å; M377-L381 PolarHBondContact O-N 3.5Å; W378-L381 PolarHBondContact O-N 3.32Å; F379-L381 PolarHBondContact O-N 2.96Å; L381-T384 PolarHBondContact O-OG1 3.25Å; L381-S385 VanDerWaalsContact O-CB 3.24Å; L381-S385 WeakPolarHBondContact O-CB 3.36Å; L381-S385 PolarHBondContact O-N 2.79Å; L381-S385 PolarHBondContact O-OG 3.06Å; L381-A544 HydrophobicContact CD2-CB 3.99Å; L381-C547 HydrophobicContact CD1-CB 3.75Å; L381-C547 HydrophobicContact CD2-CB 3.8Å; L381-C547 HydrophobicContact CG-CB 4.46Å; L381-L548 HydrophobicContact CD1-CB 4.44Å
382N88.6Confident84.9Confident2 Ų228 Ų281%0.01116%0.157CC..Hα-helixtrans-70.2-38.7179-76.4-77.4000112I339 W378 F379 V380 S685 V686I339-N382 HydrophobicContact CD1-CB 4.14Å; I339-N382 HydrophobicContact CG1-CB 4.42Å; I339-N382 HydrophobicContact CG2-CB 3.95Å; W378-N382 PolarHBondContact NE1-ND2 3.35Å; W378-N382 PolarHBondContact O-N 3.18Å; W378-N382 VanDerWaalsContact O-N 3.12Å; W378-N382 PolarHBondContact O-ND2 2.86Å; F379-N382 PolarHBondContact O-N 3.4Å; V380-N382 VanDerWaalsContact C-N 3.31Å; V380-N382 PolarHBondContact O-N 2.67Å; N382-S685 WeakPolarHBondContact OD1-CA 3.32Å; N382-V686 HydrophobicContact CB-CG2 4.38Å; N382-V686 PolarHBondContact OD1-N 3.35Å; N382-V686 VanDerWaalsContact OD1-N 3.08Å
383A86.4Confident84.7Confident3 Ų328.6 Ų28.63%0.02516%0.16CC..Hα-helixtrans-69.5-31.2175.100000113.3F353 F379 V380 F387F353-A383 HydrophobicContact CD2-CB 3.76Å; F353-A383 HydrophobicContact CE1-CB 4.47Å; F353-A383 HydrophobicContact CE2-CB 3.31Å; F353-A383 HydrophobicContact CZ-CB 3.71Å; F379-A383 PolarHBondContact O-N 3.45Å; F379-A383 VanDerWaalsContact O-N 3.09Å; V380-A383 PolarHBondContact O-N 2.97Å; A383-F387 WeakPolarHBondContact O-CD2 3.34Å
384T86.1Confident84.5Confident1 Ų132.9 Ų32.91%0.00619%0.186CC..Hα-helixtrans-85.4-45.6-179.957.60000113.7F353 V380 L381 G386 F387 I388 F396 L548F353-T384 HydrophobicContact CE1-CG2 3.62Å; F353-T384 HydrophobicContact CZ-CG2 4.07Å; V380-T384 HydrophobicContact CG1-CG2 4.06Å; V380-T384 WeakPolarHBondContact O-CG2 3.44Å; V380-T384 PolarHBondContact O-N 3.36Å; V380-T384 PolarHBondContact O-OG1 3.41Å; V380-T384 VanDerWaalsContact O-OG1 3.08Å; L381-T384 PolarHBondContact O-OG1 3.25Å; T384-G386 VanDerWaalsContact C-N 3.3Å; T384-G386 PolarHBondContact O-N 2.88Å; T384-F387 PolarHBondContact O-N 3.28Å; T384-I388 WeakPolarHBondContact O-CB 3.3Å; T384-I388 PolarHBondContact O-N 3.25Å; T384-F396 HydrophobicContact CG2-CD1 3.56Å; T384-F396 HydrophobicContact CG2-CE1 3.84Å; T384-L548 HydrophobicContact CG2-CD1 3.95Å; T384-L548 VanDerWaalsContact OG1-CD1 3.29Å; T384-L548 WeakPolarHBondContact OG1-CD1 3.42Å
385S81.8Confident84.4Confident1 Ų134.5 Ų34.51%0.00720%0.195CC..Hα-helixtrans-58.7-35.6-168.850.80000114L381 H687L381-S385 VanDerWaalsContact O-CB 3.24Å; L381-S385 WeakPolarHBondContact O-CB 3.36Å; L381-S385 PolarHBondContact O-N 2.79Å; L381-S385 PolarHBondContact O-OG 3.06Å; S385-H687 PolarHBondContact O-ND1 2.98Å
386G75.3Confident84.2Confident38 Ų3833.9 Ų33.939%0.39219%0.193SC..THydrogen-bonded Turntrans-81.2-16.8177.700000115.7T384T384-G386 VanDerWaalsContact C-N 3.3Å; T384-G386 PolarHBondContact O-N 2.88Å
387F80.6Confident83.9Confident40 Ų4036.4 Ų36.418%0.17521%0.208CC..THydrogen-bonded Turntrans-116.4-19.9-171.4-68.5-90.6000114M346 L347 A383 T384 G389 K390 N391M346-F387 HydrophobicContact CB-CZ 4.2Å; M346-F387 HydrophobicContact CE-CD1 4.2Å; M346-F387 HydrophobicContact CE-CD2 3.69Å; M346-F387 HydrophobicContact CE-CE1 4.33Å; M346-F387 HydrophobicContact CE-CE2 3.83Å; M346-F387 HydrophobicContact CE-CG 3.88Å; M346-F387 HydrophobicContact CE-CZ 4.15Å; L347-F387 HydrophobicContact CD2-CE1 4.13Å; L347-F387 HydrophobicContact CD2-CZ 3.95Å; L347-F387 HydrophobicContact CG-CZ 4.19Å; A383-F387 WeakPolarHBondContact O-CD2 3.34Å; T384-F387 PolarHBondContact O-N 3.28Å; F387-G389 PolarHBondContact O-N 3.31Å; F387-G389 VanDerWaalsContact O-N 3.11Å; F387-K390 PolarHBondContact O-N 3.11Å; F387-N391 PolarHBondContact O-N 2.83Å
388I79.4Confident83.9Confident4 Ų437.6 Ų37.62%0.02122%0.216CC..THydrogen-bonded Turntrans-59-25.7-178.5-166.7172000114T384 K390 F396 H551 K555 T619T384-I388 WeakPolarHBondContact O-CB 3.3Å; T384-I388 PolarHBondContact O-N 3.25Å; I388-K390 PolarHBondContact O-N 3.03Å; I388-F396 HydrophobicContact CB-CE1 4.43Å; I388-F396 HydrophobicContact CB-CE2 4.01Å; I388-F396 HydrophobicContact CB-CZ 3.93Å; I388-F396 HydrophobicContact CD1-CD2 4.36Å; I388-F396 HydrophobicContact CG1-CD2 3.9Å; I388-F396 HydrophobicContact CG1-CE2 3.73Å; I388-F396 HydrophobicContact CG1-CG 4.48Å; I388-F396 HydrophobicContact CG1-CZ 4.17Å; I388-H551 HydrophobicContact CD1-CB 3.9Å; I388-H551 WeakPolarHBondContact CD1-O 3.45Å; I388-K555 HydrophobicContact CD1-CB 3.93Å; I388-K555 HydrophobicContact CD1-CG 4.35Å; I388-K555 HydrophobicContact CG1-CB 4.19Å; I388-K555 HydrophobicContact CG1-CD 4.27Å; I388-K555 HydrophobicContact CG1-CG 4.12Å; I388-K555 WeakPolarHBondContact O-CE 3.48Å; I388-K555 PolarHBondContact O-NZ 3.17Å; I388-T619 HydrophobicContact CG2-CG2 3.65Å
389G72.1Confident83.9Confident59 Ų5937 Ų3761%0.60821%0.214SC*.THydrogen-bonded Turntrans-60.5-41.9173.900000113.1F387 K555F387-G389 PolarHBondContact O-N 3.31Å; F387-G389 VanDerWaalsContact O-N 3.11Å; G389-K555 PolarHBondContact O-NZ 3.07Å
390K75.1Confident83.7Confident197 Ų19737 Ų3786%0.85721%0.214SC*.THydrogen-bonded Turntrans-95.4-23.5-172.1-65.5-178.7178.9178.50114.6F387 I388F387-K390 PolarHBondContact O-N 3.11Å; I388-K390 PolarHBondContact O-N 3.03Å
391N79.9Confident83.5Confident63 Ų6342.9 Ų42.934%0.33724%0.236SC..SBendtrans-94.3170.2-174.8-67.31.4000112.6F387 F396 K555F387-N391 PolarHBondContact O-N 2.83Å; N391-F396 HydrophobicContact CB-CE2 3.7Å; N391-F396 HydrophobicContact CB-CZ 3.79Å; N391-K555 WeakPolarHBondContact O-CE 3.46Å; N391-K555 PolarHBondContact O-NZ 3.31Å
392M81.5Confident83.5Confident127 Ų12742.8 Ų42.863%0.62624%0.235SC*.  trans-78152.1178.4-66.8-68.6-7600110.7T394 D395 F396M392-T394 VanDerWaalsContact CB-OG1 3.31Å; M392-T394 WeakPolarHBondContact CB-OG1 3.38Å; M392-T394 PolarHBondContact O-N 2.88Å; M392-D395 PolarHBondContact N-OD2 3.26Å; M392-D395 VanDerWaalsContact N-OD2 3.09Å; M392-D395 WeakPolarHBondContact O-CB 3.44Å; M392-D395 PolarHBondContact O-N 3.45Å; M392-F396 VanDerWaalsContact O-CD2 3.23Å; M392-F396 WeakPolarHBondContact O-CD2 3.47Å; M392-F396 WeakPolarHBondContact O-CE2 3.48Å
393L81.6Confident83.5Confident12 Ų1242.7 Ų42.76%0.06324%0.235CC..G310 helixtrans-60.3-35.5176.5-179.366.8000112D395 F396 V397 V552 K555 D561 L563L393-D395 PolarHBondContact O-N 3.03Å; L393-D395 VanDerWaalsContact O-N 3.16Å; L393-F396 PolarHBondContact O-N 3.22Å; L393-F396 VanDerWaalsContact O-N 3.07Å; L393-V397 PolarHBondContact O-N 3.18Å; L393-V552 HydrophobicContact CD1-CG1 4.12Å; L393-K555 HydrophobicContact CB-CG 4.24Å; L393-K555 HydrophobicContact CD1-CB 3.92Å; L393-K555 HydrophobicContact CD1-CG 3.79Å; L393-D561 HydrophobicContact CD2-CB 3.56Å; L393-L563 HydrophobicContact CD2-CD2 4.27Å
394T83.8Confident83.5Confident92 Ų9245 Ų4556%0.56425%0.247SC*.G310 helixtrans-52.6-34177.548.50000113.4M392 F396 V397 P398M392-T394 VanDerWaalsContact CB-OG1 3.31Å; M392-T394 WeakPolarHBondContact CB-OG1 3.38Å; M392-T394 PolarHBondContact O-N 2.88Å; T394-F396 PolarHBondContact O-N 3.49Å; T394-V397 PolarHBondContact O-N 3.45Å; T394-P398 WeakPolarHBondContact O-CD 3.45Å
395D83.3Confident83.6Confident47 Ų4746.3 Ų46.325%0.25125%0.254SS..G310 helixtrans-69.1-18.2-175.9-53-24.8000112.1N354 M392 L393N354-D395 HydrophobicContact CB-CB 4.42Å; M392-D395 PolarHBondContact N-OD2 3.26Å; M392-D395 VanDerWaalsContact N-OD2 3.09Å; M392-D395 WeakPolarHBondContact O-CB 3.44Å; M392-D395 PolarHBondContact O-N 3.45Å; L393-D395 PolarHBondContact O-N 3.03Å; L393-D395 VanDerWaalsContact O-N 3.16Å
396F85.9Confident83.9Confident4 Ų446.7 Ų46.72%0.01826%0.255CS..G310 helixtrans-108.5-9.8-176.7-54.9-73000113.8T384 I388 N391 M392 L393 T394 P398 C399 V552T384-F396 HydrophobicContact CG2-CD1 3.56Å; T384-F396 HydrophobicContact CG2-CE1 3.84Å; I388-F396 HydrophobicContact CB-CE1 4.43Å; I388-F396 HydrophobicContact CB-CE2 4.01Å; I388-F396 HydrophobicContact CB-CZ 3.93Å; I388-F396 HydrophobicContact CD1-CD2 4.36Å; I388-F396 HydrophobicContact CG1-CD2 3.9Å; I388-F396 HydrophobicContact CG1-CE2 3.73Å; I388-F396 HydrophobicContact CG1-CG 4.48Å; I388-F396 HydrophobicContact CG1-CZ 4.17Å; N391-F396 HydrophobicContact CB-CE2 3.7Å; N391-F396 HydrophobicContact CB-CZ 3.79Å; M392-F396 VanDerWaalsContact O-CD2 3.23Å; M392-F396 WeakPolarHBondContact O-CD2 3.47Å; M392-F396 WeakPolarHBondContact O-CE2 3.48Å; L393-F396 PolarHBondContact O-N 3.22Å; L393-F396 VanDerWaalsContact O-N 3.07Å; T394-F396 PolarHBondContact O-N 3.49Å; F396-P398 VanDerWaalsContact C-CD 3.43Å; F396-P398 VanDerWaalsContact C-N 3.32Å; F396-C399 VanDerWaalsContact O-CB 3.25Å; F396-C399 WeakPolarHBondContact O-CB 3.43Å; F396-C399 PolarHBondContact O-N 3.27Å; F396-V552 HydrophobicContact CB-CG2 4.4Å
397V85.7Confident84.4Confident52 Ų5245.6 Ų45.632%0.31524%0.24SC..Hα-helixtrans-56.5-38.5173.7179.20000112.6L393 T394 C399 L400 P564L393-V397 PolarHBondContact O-N 3.18Å; T394-V397 PolarHBondContact O-N 3.45Å; V397-C399 PolarHBondContact O-N 3.02Å; V397-C399 VanDerWaalsContact O-N 3.12Å; V397-L400 WeakPolarHBondContact O-CB 3.4Å; V397-L400 PolarHBondContact O-N 3.44Å; V397-P564 HydrophobicContact CG1-CG 4.2Å
398P89.6Confident84.4Confident25 Ų2548.1 Ų48.116%0.16226%0.26CS..Hα-helixtrans-57.1-25.3174.3-28.237.4000114.8V357 V358 N361 T394 F396 L400 R401 L402V357-P398 HydrophobicContact CB-CB 4.19Å; V357-P398 HydrophobicContact CG1-CB 3.66Å; V357-P398 WeakPolarHBondContact CG1-O 3.5Å; V358-P398 HydrophobicContact CG2-CB 4Å; V358-P398 HydrophobicContact CG2-CG 3.91Å; N361-P398 PolarHBondContact ND2-O 2.84Å; T394-P398 WeakPolarHBondContact O-CD 3.45Å; F396-P398 VanDerWaalsContact C-CD 3.43Å; F396-P398 VanDerWaalsContact C-N 3.32Å; P398-L400 VanDerWaalsContact C-N 3.31Å; P398-R401 PolarHBondContact O-N 3.47Å; P398-L402 PolarHBondContact O-N 3.42Å; P398-L402 VanDerWaalsContact O-N 3.13Å
399C89.8Confident84.2Confident0 Ų051.3 Ų51.30%028%0.275CS..Hα-helixtrans-70.8-26.7177.1-54.30000112.6V380 F396 V397 L402 F403 L548V380-C399 HydrophobicContact CG1-CB 4.06Å; F396-C399 VanDerWaalsContact O-CB 3.25Å; F396-C399 WeakPolarHBondContact O-CB 3.43Å; F396-C399 PolarHBondContact O-N 3.27Å; V397-C399 PolarHBondContact O-N 3.02Å; V397-C399 VanDerWaalsContact O-N 3.12Å; C399-L402 PolarHBondContact O-N 3.1Å; C399-F403 PolarHBondContact O-N 3.46Å; C399-F403 VanDerWaalsContact O-N 3.11Å; C399-L548 HydrophobicContact CB-CD2 4.25Å
400L87.6Confident84.5Confident6 Ų648.6 Ų48.63%0.03125%0.247CC..Hα-helixtrans-70.9-41.3174.5-57.8-178.6000110.9V397 P398 L402 F403 D404 W549 V552 L563V397-L400 WeakPolarHBondContact O-CB 3.4Å; V397-L400 PolarHBondContact O-N 3.44Å; P398-L400 VanDerWaalsContact C-N 3.31Å; L400-L402 VanDerWaalsContact C-N 3.3Å; L400-L402 PolarHBondContact O-N 2.99Å; L400-F403 WeakPolarHBondContact O-CB 3.43Å; L400-F403 PolarHBondContact O-N 3.11Å; L400-D404 PolarHBondContact O-N 3.22Å; L400-W549 HydrophobicContact CD2-CD2 4.06Å; L400-W549 HydrophobicContact CD2-CE3 4.26Å; L400-W549 HydrophobicContact CD2-CH2 4.14Å; L400-W549 HydrophobicContact CD2-CZ2 3.92Å; L400-W549 HydrophobicContact CD2-CZ3 4.29Å; L400-V552 HydrophobicContact CD1-CG1 4.18Å; L400-V552 HydrophobicContact CD2-CG1 4.26Å; L400-V552 HydrophobicContact CG-CG1 4.49Å; L400-L563 HydrophobicContact CD1-CD2 4.22Å
401R88.1Confident84.4Confident125 Ų12544.8 Ų44.847%0.47223%0.232SC..Hα-helixtrans-62.9-37.4172.7-176.7175.9178-171.8-3.3111.7E365 P398 F403 D404 I405E365-R401 IonicContact OE1-CZ 2.71Å; E365-R401 IonicContact OE1-NE 2.97Å; E365-R401 IonicContact OE1-NH2 3.75Å; E365-R401 PolarHBondContact OE1-NH2 3.21Å; E365-R401 IonicContact OE2-NH2 3.25Å; E365-R401 PolarHBondContact OE2-NH2 2.96Å; P398-R401 PolarHBondContact O-N 3.47Å; R401-F403 VanDerWaalsContact C-N 3.31Å; R401-F403 PolarHBondContact O-N 3.17Å; R401-D404 PolarHBondContact O-N 2.99Å; R401-D404 VanDerWaalsContact O-N 3.16Å; R401-I405 HydrophobicContact CG-CD1 4.19Å; R401-I405 WeakPolarHBondContact O-CG1 3.45Å; R401-I405 PolarHBondContact O-N 3.36Å; R401-I405 VanDerWaalsContact O-N 3.09Å
402L90.5Very high84Confident0 Ų044.2 Ų44.20%023%0.229CC..Hα-helixtrans-62.6-39.2175.1-175.758.5000112V357 L360 N361 L364 V376 V380 P398 C399 L400 D404 I405 L406V357-L402 HydrophobicContact CG1-CB 4.4Å; V357-L402 HydrophobicContact CG1-CD2 4.23Å; L360-L402 HydrophobicContact CD2-CD1 4.25Å; L360-L402 HydrophobicContact CD2-CD2 4.01Å; L360-L402 HydrophobicContact CG-CD1 4.4Å; N361-L402 WeakPolarHBondContact OD1-CA 3.48Å; N361-L402 WeakPolarHBondContact OD1-CB 3.43Å; N361-L402 WeakPolarHBondContact OD1-CD1 3.5Å; N361-L402 PolarHBondContact OD1-N 3.18Å; L364-L402 HydrophobicContact CD1-CD1 3.95Å; V376-L402 HydrophobicContact CG1-CD2 4.14Å; V380-L402 HydrophobicContact CG2-CD2 3.81Å; P398-L402 PolarHBondContact O-N 3.42Å; P398-L402 VanDerWaalsContact O-N 3.13Å; C399-L402 PolarHBondContact O-N 3.1Å; L400-L402 VanDerWaalsContact C-N 3.3Å; L400-L402 PolarHBondContact O-N 2.99Å; L402-D404 VanDerWaalsContact C-N 3.31Å; L402-D404 PolarHBondContact O-N 2.79Å; L402-I405 PolarHBondContact O-N 3.11Å; L402-L406 HydrophobicContact CD1-CD1 3.94Å; L402-L406 HydrophobicContact CD1-CG 4.22Å; L402-L406 HydrophobicContact CG-CD1 3.93Å; L402-L406 WeakPolarHBondContact O-CB 3.4Å; L402-L406 VanDerWaalsContact O-CG 3.29Å; L402-L406 WeakPolarHBondContact O-CG 3.2Å; L402-L406 PolarHBondContact O-N 2.72Å; L402-L406 VanDerWaalsContact O-N 3.11Å
403F89Confident83.1Confident1 Ų142.2 Ų42.20%0.00423%0.225CC..Hα-helixtrans-60.1-41.1172.9172.9-86.3000111.8M377 C399 L400 R401 L406 F407 A410 P545 W549 P568 L571M377-F403 HydrophobicContact CE-CB 3.93Å; M377-F403 HydrophobicContact CE-CD2 4.14Å; C399-F403 PolarHBondContact O-N 3.46Å; C399-F403 VanDerWaalsContact O-N 3.11Å; L400-F403 WeakPolarHBondContact O-CB 3.43Å; L400-F403 PolarHBondContact O-N 3.11Å; R401-F403 VanDerWaalsContact C-N 3.31Å; R401-F403 PolarHBondContact O-N 3.17Å; F403-L406 PolarHBondContact O-N 3.32Å; F403-F407 HydrophobicContact CD2-CB 4.47Å; F403-F407 AromaticContact CD2-CD2 3.62Å; F403-F407 HydrophobicContact CD2-CD2 3.62Å; F403-F407 HydrophobicContact CD2-CE2 4.26Å; F403-F407 HydrophobicContact CD2-CG 4.35Å; F403-F407 HydrophobicContact CE1-CB 4.2Å; F403-F407 HydrophobicContact CE2-CB 3.97Å; F403-F407 AromaticContact CE2-CD2 3.59Å; F403-F407 HydrophobicContact CE2-CD2 3.59Å; F403-F407 HydrophobicContact CE2-CE2 4.3Å; F403-F407 AromaticContact CE2-CG 3.91Å; F403-F407 HydrophobicContact CE2-CG 3.91Å; F403-F407 HydrophobicContact CG-CD2 4.38Å; F403-F407 HydrophobicContact CZ-CB 3.81Å; F403-F407 HydrophobicContact CZ-CD2 4.32Å; F403-F407 HydrophobicContact CZ-CG 4.25Å; F403-F407 WeakPolarHBondContact O-CB 3.28Å; F403-F407 PolarHBondContact O-N 3.08Å; F403-A410 HydrophobicContact CE1-CB 3.97Å; F403-A410 HydrophobicContact CZ-CB 3.82Å; F403-P545 HydrophobicContact CD2-CB 3.96Å; F403-P545 HydrophobicContact CE2-CB 3.74Å; F403-W549 AromaticContact CD1-NE1 3.85Å; F403-W549 AromaticContact CG-NE1 3.82Å; F403-P568 HydrophobicContact CE1-CG 3.75Å; F403-P568 HydrophobicContact CZ-CG 4.37Å; F403-L571 HydrophobicContact CE2-CD1 4.03Å; F403-L571 HydrophobicContact CE2-CD2 4.4Å; F403-L571 HydrophobicContact CZ-CD1 3.87Å; F403-L571 HydrophobicContact CZ-CD2 4.31Å; F403-L571 HydrophobicContact CZ-CG 4.27Å
404D87.4Confident82.1Confident51 Ų5148.2 Ų48.227%0.27326%0.258SS..Hα-helixtrans-68.6-35.9-179.2-62.3-30.9000113.3L400 R401 L402 R565L400-D404 PolarHBondContact O-N 3.22Å; R401-D404 PolarHBondContact O-N 2.99Å; R401-D404 VanDerWaalsContact O-N 3.16Å; L402-D404 VanDerWaalsContact C-N 3.31Å; L402-D404 PolarHBondContact O-N 2.79Å; D404-R565 IonicContact OD1-CZ 2.7Å; D404-R565 IonicContact OD1-NH1 3.27Å; D404-R565 PolarHBondContact OD1-NH1 3.27Å; D404-R565 IonicContact OD1-NH2 3.48Å; D404-R565 PolarHBondContact OD1-NH2 3.43Å; D404-R565 IonicContact OD2-CZ 3.56Å; D404-R565 IonicContact OD2-NH1 2.73Å; D404-R565 PolarHBondContact OD2-NH1 2.87Å; D404-R565 IonicContact OD2-NH2 3.4Å
405I88.2Confident80.9Confident29 Ų2950.4 Ų50.415%0.14926%0.255CS..Hα-helixtrans-66.4-38.7173.7-66.1166.8000110.8N361 L364 E365 R401 L402N361-I405 HydrophobicContact CB-CD1 4.06Å; L364-I405 HydrophobicContact CB-CG2 4.01Å; L364-I405 WeakPolarHBondContact O-CG2 3.25Å; E365-I405 HydrophobicContact CB-CD1 4.47Å; R401-I405 HydrophobicContact CG-CD1 4.19Å; R401-I405 WeakPolarHBondContact O-CG1 3.45Å; R401-I405 PolarHBondContact O-N 3.36Å; R401-I405 VanDerWaalsContact O-N 3.09Å; L402-I405 PolarHBondContact O-N 3.11Å
406L87.3Confident79.5Confident9 Ų948.9 Ų48.95%0.04725%0.25CC..Hα-helixtrans-86.2-24.1-176-66.5175.1000114.4L364 W369 V376 M377 L402 F403L364-L406 HydrophobicContact CD1-CD2 4.24Å; W369-L406 HydrophobicContact CB-CD2 4.27Å; W369-L406 HydrophobicContact CG-CD2 4.46Å; V376-L406 HydrophobicContact CB-CD1 4.17Å; V376-L406 HydrophobicContact CG1-CD1 3.96Å; M377-L406 HydrophobicContact CE-CD1 3.82Å; L402-L406 HydrophobicContact CD1-CD1 3.94Å; L402-L406 HydrophobicContact CD1-CG 4.22Å; L402-L406 HydrophobicContact CG-CD1 3.93Å; L402-L406 WeakPolarHBondContact O-CB 3.4Å; L402-L406 VanDerWaalsContact O-CG 3.29Å; L402-L406 WeakPolarHBondContact O-CG 3.2Å; L402-L406 PolarHBondContact O-N 2.72Å; L402-L406 VanDerWaalsContact O-N 3.11Å; F403-L406 PolarHBondContact O-N 3.32Å
407F85.5Confident77.9Confident15 Ų1554.6 Ų54.67%0.06628%0.279CS..  trans-134.259.7-176.5-62.4-82.7000112.5H374 M377 F403 E409 A410 L419 P545H374-F407 AromaticContact CE1-CE1 3.83Å; H374-F407 AromaticContact CE1-CZ 3.9Å; H374-F407 AromaticContact ND1-CZ 4Å; M377-F407 HydrophobicContact CE-CD2 4.42Å; M377-F407 HydrophobicContact CE-CE2 4.09Å; F403-F407 HydrophobicContact CD2-CB 4.47Å; F403-F407 AromaticContact CD2-CD2 3.62Å; F403-F407 HydrophobicContact CD2-CD2 3.62Å; F403-F407 HydrophobicContact CD2-CE2 4.26Å; F403-F407 HydrophobicContact CD2-CG 4.35Å; F403-F407 HydrophobicContact CE1-CB 4.2Å; F403-F407 HydrophobicContact CE2-CB 3.97Å; F403-F407 AromaticContact CE2-CD2 3.59Å; F403-F407 HydrophobicContact CE2-CD2 3.59Å; F403-F407 HydrophobicContact CE2-CE2 4.3Å; F403-F407 AromaticContact CE2-CG 3.91Å; F403-F407 HydrophobicContact CE2-CG 3.91Å; F403-F407 HydrophobicContact CG-CD2 4.38Å; F403-F407 HydrophobicContact CZ-CB 3.81Å; F403-F407 HydrophobicContact CZ-CD2 4.32Å; F403-F407 HydrophobicContact CZ-CG 4.25Å; F403-F407 WeakPolarHBondContact O-CB 3.28Å; F403-F407 PolarHBondContact O-N 3.08Å; F407-E409 PolarHBondContact O-N 2.8Å; F407-A410 HydrophobicContact CB-CB 4.27Å; F407-A410 VanDerWaalsContact O-CB 3.29Å; F407-A410 WeakPolarHBondContact O-CB 3.13Å; F407-A410 PolarHBondContact O-N 3.25Å; F407-A410 VanDerWaalsContact O-N 3.12Å; F407-L419 HydrophobicContact CD1-CD2 3.95Å; F407-L419 HydrophobicContact CE1-CD2 4.46Å; F407-P545 HydrophobicContact CE2-CG 4.27Å; F407-P545 HydrophobicContact CZ-CG 4.31Å
408P80.2Confident76.3Confident93 Ų9356.9 Ų56.960%0.60429%0.29SS*.G310 helixtrans-63-25.8-17726.4-35.8000113.6A410P408-A410 PolarHBondContact O-N 3.3Å
409E75.9Confident74.9Confident70 Ų7057.5 Ų57.533%0.32729%0.291SS..G310 helixtrans-73-9.1178.4-59.3-174.314300113.4F407 E411 D412 R426F407-E409 PolarHBondContact O-N 2.8Å; E409-E411 VanDerWaalsContact C-N 3.31Å; E409-E411 PolarHBondContact O-N 3.17Å; E409-D412 PolarHBondContact O-N 3.5Å; E409-R426 IonicContact OE1-NH2 2.72Å; E409-R426 IonicContact OE2-NH2 3.8Å
410A77.8Confident73.4Confident2 Ų260.3 Ų60.32%0.01731%0.309CS..G310 helixtrans-74.3-12.9-171.900000115.6F403 F407 P408 P568 A570F403-A410 HydrophobicContact CE1-CB 3.97Å; F403-A410 HydrophobicContact CZ-CB 3.82Å; F407-A410 HydrophobicContact CB-CB 4.27Å; F407-A410 VanDerWaalsContact O-CB 3.29Å; F407-A410 WeakPolarHBondContact O-CB 3.13Å; F407-A410 PolarHBondContact O-N 3.25Å; F407-A410 VanDerWaalsContact O-N 3.12Å; P408-A410 PolarHBondContact O-N 3.3Å; A410-P568 HydrophobicContact CB-CB 4.25Å; A410-P568 WeakPolarHBondContact O-CB 3.47Å; A410-A570 HydrophobicContact CB-CB 4.17Å; A410-A570 WeakPolarHBondContact O-CB 3.47Å
411E74.4Confident72.1Confident118 Ų11860.9 Ų60.955%0.55131%0.312SS*.G310 helixtrans-83.9-30.8175.3-67.2-159.6151.300113.5E409 P413 R565E409-E411 VanDerWaalsContact C-N 3.31Å; E409-E411 PolarHBondContact O-N 3.17Å; E411-P413 WeakPolarHBondContact O-CD 3.43Å; E411-R565 IonicContact OE1-CZ 3.9Å; E411-R565 IonicContact OE1-NE 3.39Å; E411-R565 PolarHBondContact OE1-NE 3.01Å; E411-R565 IonicContact OE1-NH2 2.71Å; E411-R565 PolarHBondContact OE1-NH2 3.31Å
412D71.2Confident70.6Confident51 Ų5155.8 Ų55.827%0.27330%0.295SS..  trans-75113.2-177.8-178.9-21000109.5E409 D414 R415 A416E409-D412 PolarHBondContact O-N 3.5Å; D412-D414 PolarHBondContact O-N 3.02Å; D412-D414 PolarHBondContact OD1-N 3.42Å; D412-R415 HydrophobicContact CB-CB 4.09Å; D412-R415 HydrophobicContact CB-CG 4.19Å; D412-R415 PolarHBondContact O-N 3.47Å; D412-R415 PolarHBondContact OD1-N 2.94Å; D412-R415 VanDerWaalsContact OD2-CD 3.24Å; D412-R415 WeakPolarHBondContact OD2-CD 3.4Å; D412-R415 WeakPolarHBondContact OD2-CG 3.35Å; D412-R415 IonicContact OD2-CZ 2.75Å; D412-R415 IonicContact OD2-NE 3.23Å; D412-R415 PolarHBondContact OD2-NE 2.96Å; D412-A416 WeakPolarHBondContact O-CA 3.45Å; D412-A416 WeakPolarHBondContact O-CB 3.4Å; D412-A416 PolarHBondContact O-N 3.41Å
413P61.8Low68.8Low84 Ų8459.7 Ų59.755%0.54532%0.322SS..THydrogen-bonded Turntrans-67.7-20.3-175.330-36.1000113.6E411E411-P413 WeakPolarHBondContact O-CD 3.43Å
414D60.6Low66.6Low138 Ų13862.4 Ų62.474%0.73834%0.34SS*.THydrogen-bonded Turntrans-83.4-35.5178.5-64.7-28.7000110.6D412D412-D414 PolarHBondContact O-N 3.02Å; D412-D414 PolarHBondContact OD1-N 3.42Å
415R60.1Low64.4Low138 Ų13864.8 Ų64.852%0.52136%0.361SS..THydrogen-bonded Turntrans-82.6-18.8172.7-59.1178.6-158.8-142-4.4113.7D412 I417 D418D412-R415 HydrophobicContact CB-CB 4.09Å; D412-R415 HydrophobicContact CB-CG 4.19Å; D412-R415 PolarHBondContact O-N 3.47Å; D412-R415 PolarHBondContact OD1-N 2.94Å; D412-R415 VanDerWaalsContact OD2-CD 3.24Å; D412-R415 WeakPolarHBondContact OD2-CD 3.4Å; D412-R415 WeakPolarHBondContact OD2-CG 3.35Å; D412-R415 IonicContact OD2-CZ 2.75Å; D412-R415 IonicContact OD2-NE 3.23Å; D412-R415 PolarHBondContact OD2-NE 2.96Å; R415-I417 PolarHBondContact O-N 3.24Å; R415-D418 PolarHBondContact O-N 3.39Å
416A53.8Low61.7Low16 Ų1672.3 Ų72.313%0.13239%0.387CS..G310 helixtrans-54.6-24.1-17900000114.7D412 D418 A570D412-A416 WeakPolarHBondContact O-CA 3.45Å; D412-A416 WeakPolarHBondContact O-CB 3.4Å; D412-A416 PolarHBondContact O-N 3.41Å; A416-D418 VanDerWaalsContact C-N 3.29Å; A416-A570 HydrophobicContact CB-CB 3.49Å; A416-A570 VanDerWaalsContact CB-CB 3.49Å
417I51.7Low58.8Low124 Ų12480.9 Ų80.964%0.63642%0.424SS*.G310 helixtrans-72.8-24.7177.7-58.3176.9000111.4R415R415-I417 PolarHBondContact O-N 3.24Å
418D52.9Low56.1Low100 Ų10087.2 Ų87.254%0.53546%0.459SS..G310 helixtrans-101.616.9-172.7-66.8-28.5000113.9R415 A416 P420R415-D418 PolarHBondContact O-N 3.39Å; A416-D418 VanDerWaalsContact C-N 3.29Å; D418-P420 WeakPolarHBondContact O-CD 3.18Å
419L60Low53.6Low37 Ų3787.4 Ų87.419%0.19446%0.462CS..  trans-44.7113.5174.6-109175000110.1F407 I421 A570 L571F407-L419 HydrophobicContact CD1-CD2 3.95Å; F407-L419 HydrophobicContact CE1-CD2 4.46Å; L419-I421 PolarHBondContact O-N 3.21Å; L419-A570 HydrophobicContact CD1-CB 3.49Å; L419-A570 VanDerWaalsContact CD1-CB 3.49Å; L419-A570 HydrophobicContact CG-CB 4.03Å; L419-L571 HydrophobicContact CD1-CD2 3.96Å
420P57.6Low51.2Low59 Ų5991 Ų9138%0.38349%0.489SS..  trans-67.4105.7-165.122.2-32.9000111.1H374 D418H374-P420 PolarHBondContact CE1-O 3.27Å; H374-P420 PolarHBondContact NE2-O 3.49Å; D418-P420 WeakPolarHBondContact O-CD 3.18Å
421I60.1Low48.8Very low18 Ų1894.1 Ų94.19%0.09252%0.522CS..  trans-63.7135.7171.8-61.2176.9000108L419 C423 C424 L521 H524 Q535L419-I421 PolarHBondContact O-N 3.21Å; I421-C423 PolarHBondContact O-N 3.28Å; I421-C424 HydrophobicContact CB-CB 4.45Å; I421-C424 PolarHBondContact O-N 2.97Å; I421-L521 HydrophobicContact CD1-CD1 4.27Å; I421-H524 VanDerWaalsContact CD1-CD2 3.5Å; I421-H524 WeakPolarHBondContact CD1-CD2 3.38Å; I421-H524 WeakPolarHBondContact CD1-NE2 3.48Å; I421-Q535 HydrophobicContact CG2-CG 4.21Å
422P57.1Low46.6Very low18 Ų1897.8 Ų97.812%0.11754%0.539CS..THydrogen-bonded Turntrans-44.8125174-30.335.2000112.4H374 C424 L538 L541 A542H374-P422 HydrophobicContact CB-CG 4.22Å; P422-C424 PolarHBondContact O-N 3.07Å; P422-L538 HydrophobicContact CB-CB 4.22Å; P422-L538 HydrophobicContact CB-CD1 4.17Å; P422-L538 HydrophobicContact CB-CD2 4.49Å; P422-L541 HydrophobicContact CG-CB 4.46Å; P422-A542 HydrophobicContact CG-CB 4.23Å
423C51.6Low44.5Very low82 Ų82101 Ų10155%0.55457%0.565SS**THydrogen-bonded Turntrans71.113.2177.7-47.80000116.8E328 I421 L538E328-C423 PolarHBondContact OE1-SG 2.83Å; I421-C423 PolarHBondContact O-N 3.28Å; C423-L538 HydrophobicContact CB-CD1 4.44Å
424C43.9Very low42.8Very low58 Ų58103.8 Ų103.839%0.39258%0.576SS.*  trans-90.697.7163.9-76.20000110.9I421 P422I421-C424 HydrophobicContact CB-CB 4.45Å; I421-C424 PolarHBondContact O-N 2.97Å; P422-C424 PolarHBondContact O-N 3.07Å
425S40.7Very low41.2Very low101 Ų101105 Ų10571%0.70658%0.582SS**  trans-72.3141.1171.442.90000111.8K427S425-K427 PolarHBondContact O-N 3.1Å
426R31Very low39.5Very low187 Ų187103.4 Ų103.471%0.70659%0.592SS**  trans-60.7116.6164.7-73.7-176.5178.9154.24.1107.9E409 D428E409-R426 IonicContact OE1-NH2 2.72Å; E409-R426 IonicContact OE2-NH2 3.8Å; R426-D428 PolarHBondContact O-N 3Å
427K28Very low38Very low189 Ų189111 Ų11182%0.82263%0.625SS**  trans-90.285164.6-83.6-166.6175.1-174.20108.1S425 S429S425-K427 PolarHBondContact O-N 3.1Å; K427-S429 PolarHBondContact O-N 3.29Å
428D28.1Very low36.8Very low148 Ų148112.1 Ų112.179%0.79163%0.63SS**  trans-64.9128.6165.5-65.8-43.8000108.9R426R426-D428 PolarHBondContact O-N 3Å
429S26.7Very low35.4Very low97 Ų97111.8 Ų111.868%0.67864%0.636SS**  trans-95.8138.2-171.655.20000112K427K427-S429 PolarHBondContact O-N 3.29Å
430T26.4Very low33.9Very low146 Ų146117.1 Ų117.190%0.89666%0.664SS**  trans66.114717168.10000115.6
431G27.5Very low32.5Very low67 Ų67119.1 Ų119.169%0.69168%0.675SS**  cis151.6139.5-4.600000111.2
432Q27.5Very low31.4Very low196 Ų196125.9 Ų125.992%0.91671%0.706SS**  trans49.9116.2164.4-61.9176.3-1400119.4
433S27.1Very low30.1Very low117 Ų117131.2 Ų131.282%0.81873%0.728SS**  -179.3162.498.965.50000111.5
434N27Very low28.9Very low144 Ų144135 Ų13577%0.7774%0.742SS**  trans-78.9-179.7175.6-61.2-31000111.9
435D26Very low28Very low162 Ų162134.2 Ų134.287%0.86674%0.744SS**  trans102.1131158.9-56.9-17.1000117.4
436S24.1Very low27.2Very low105 Ų105134.2 Ų134.273%0.73474%0.74SS**  trans-77.2173.4179.644.50000113
437E24Very low26.9Very low175 Ų175132.5 Ų132.582%0.81874%0.744SS**  trans91.5150.2165.9-47.1-16714600117.7
438I25.9Very low26.9Very low148 Ų148128 Ų12876%0.75973%0.734SS**  trans77.167.1165.7-43.1172.3000118
439S23.1Very low26.9Very low93 Ų93129.5 Ų129.565%0.6573%0.733SS**  21134113.262.80000122.7
440L28Very low26.9Very low150 Ų150131 Ų13179%0.78573%0.734SS**  trans90.3107.3136.1-66.2159.1000124.2
441T29.3Very low27Very low100 Ų100130.9 Ų130.961%0.61373%0.726SS**  87.3123.8120.854.50000126.7
442Q35.7Very low26.9Very low160 Ų160135.2 Ų135.275%0.74873%0.733SS**  trans68.9152.2136.3-66.9-178.2-39.400119
443K31.4Very low26.9Very low130 Ų130128.9 Ų128.957%0.56572%0.72SS**  -169.3167.771.8-78.7143176.7-890110.4G445 V446K443-G445 WeakPolarHBondContact CD-O 3.41Å; K443-G445 VanDerWaalsContact CG-C 3.43Å; K443-G445 VanDerWaalsContact CG-O 3.24Å; K443-G445 WeakPolarHBondContact CG-O 3.1Å; K443-G445 PolarHBondContact NZ-O 3.47Å; K443-V446 WeakPolarHBondContact CD-O 3.22Å; K443-V446 WeakPolarHBondContact CE-O 3.36Å; K443-V446 PolarHBondContact NZ-O 3.13Å
444D25.9Very low26.9Very low161 Ų161130.5 Ų130.586%0.86171%0.713SS**SBendcis-55.713824.8-72.5-39.6000115.9
445G25.6Very low26.8Very low42 Ų42130.2 Ų130.243%0.43371%0.707SS.*SBendcis-108.81287.700000116.9K443K443-G445 WeakPolarHBondContact CD-O 3.41Å; K443-G445 VanDerWaalsContact CG-C 3.43Å; K443-G445 VanDerWaalsContact CG-O 3.24Å; K443-G445 WeakPolarHBondContact CG-O 3.1Å; K443-G445 PolarHBondContact NZ-O 3.47Å
446V23.2Very low26.8Very low102 Ų102129 Ų12962%0.61870%0.699SS**  trans72.1106.2149.3-154.60000119.6K443K443-V446 WeakPolarHBondContact CD-O 3.22Å; K443-V446 WeakPolarHBondContact CE-O 3.36Å; K443-V446 PolarHBondContact NZ-O 3.13Å
447L25Very low26.8Very low151 Ų151128 Ų12879%0.79169%0.692SS**  155.5155.9129-95.3116.4000112.5
448P28.2Very low26.9Very low94 Ų94124.4 Ų124.461%0.6169%0.687SS**  trans-123.7-177.8-152.443.9-32000115.6
449K27.7Very low26.9Very low179 Ų179123 Ų12378%0.77869%0.685SS**  trans74.3148166.1-60.1170.2-177176.40113.8
450N27.2Very low27Very low129 Ų129123.5 Ų123.569%0.6969%0.685SS**  cis-171.4168.3-4.2-1131.9000108.9
451I27.2Very low26.9Very low143 Ų143125.5 Ų125.573%0.73369%0.69SS**  trans72.3111.8150.9-69.5158.8000115.1
452L25.4Very low26.8Very low158 Ų158126.8 Ų126.883%0.82769%0.693SS**  63.3125.290.2-140.179.4000111.8
453G28.3Very low26.7Very low64 Ų64126.4 Ų126.466%0.6670%0.702SS**  cis156.8-169.45.800000109
454K27.3Very low26.5Very low150 Ų150128.6 Ų128.665%0.65271%0.711SS**  trans61.8112.3147-77.3-177.4158.3-76.60118
455E23.5Very low26.6Very low139 Ų139128.8 Ų128.865%0.6571%0.712SS**  85.8153.4101.5-76.3170.2-171.900112.4
456L26Very low26.6Very low135 Ų135130 Ų13071%0.70771%0.714SS**  cis-159.2146.38.7-125.5158.6000109.6
457S25Very low26.7Very low84 Ų84129.9 Ų129.959%0.58771%0.712SS**  trans51.3141.2140.163.40000124.1
458S26.3Very low26.8Very low100 Ų100125.7 Ų125.770%0.69970%0.696SS**  trans77.5150.4130.3670000118.6
459T24.6Very low26.7Very low119 Ų119126.3 Ų126.373%0.7369%0.691SS**  cis-144.6154.49.3-17.70000111
460T25.3Very low26.5Very low104 Ų104124.5 Ų124.564%0.63868%0.683SS**  trans-9.5142.815355.40000118.2
461E27.8Very low26.5Very low191 Ų191122.6 Ų122.689%0.89368%0.678SS**  -159.4157.9100.7-107.7171.2-164.800113.7
462N25.7Very low26.5Very low127 Ų127123 Ų12368%0.67968%0.68SS**  trans-105.2144.8-171.1-63.7-89.6000111
463T33.9Very low26.9Very low153 Ų153119.8 Ų119.894%0.93967%0.671SS**  trans-148.6115.7150.86.90000111.2
464K26.9Very low27Very low176 Ų176125.3 Ų125.377%0.76568%0.677SS**  trans-106.1150.2-177.3-58.7164.1174.2172.80110.2
465L27.8Very low27.4Very low165 Ų165127.4 Ų127.486%0.86469%0.686SS**  trans-168.1138152.7-120104.5000109.5
466S26.5Very low27.6Very low68 Ų68127 Ų12748%0.47669%0.685SS.*  cis88.8123.539.61190000115.3Y490S466-Y490 WeakPolarHBondContact CA-OH 3.5Å; S466-Y490 WeakPolarHBondContact CB-OH 3.45Å
467V25.5Very low28Very low98 Ų98126.6 Ų126.659%0.59468%0.684SS**  cis-134.4146.31.5770000111.2Y490V467-Y490 WeakPolarHBondContact CA-OH 3.46Å; V467-Y490 WeakPolarHBondContact CB-OH 3.28Å; V467-Y490 WeakPolarHBondContact CG2-OH 3.41Å
468S26.7Very low28Very low64 Ų64127.8 Ų127.845%0.44868%0.683SS.*  172.411891.236.80000113.2
469Q26.6Very low28.6Very low107 Ų107131 Ų13150%0.569%0.692SS.*  -96140.5127.6-70.3165.2-106.900104.6T489Q469-T489 HydrophobicContact CB-CG2 4.13Å; Q469-T489 VanDerWaalsContact O-CG2 3.3Å; Q469-T489 WeakPolarHBondContact O-CG2 3.09Å
470F22.8Very low28.6Very low140 Ų140129.5 Ų129.561%0.61469%0.687SS**  trans-157.8123.7145.3-116.6-64000111.7L487 V488F470-L487 HydrophobicContact CE1-CD1 4.07Å; F470-L487 HydrophobicContact CE1-CG 4.19Å; F470-L487 HydrophobicContact CZ-CD1 3.74Å; F470-L487 HydrophobicContact CZ-CD2 4.01Å; F470-L487 HydrophobicContact CZ-CG 3.59Å; F470-V488 HydrophobicContact CD2-CG2 3.74Å; F470-V488 HydrophobicContact CE1-CG2 4.24Å; F470-V488 HydrophobicContact CE2-CG2 3.26Å; F470-V488 HydrophobicContact CG-CG2 4.45Å; F470-V488 HydrophobicContact CZ-CG2 3.56Å
471P28.3Very low28.9Very low89 Ų89128.5 Ų128.558%0.57868%0.684SS**  trans-91.9157.4167.916.30.6000112
472I26.5Very low29.1Very low151 Ų151126 Ų12677%0.77468%0.676SS**  trans-143.2110.5157.4-54178.9000104.1K474I472-K474 HydrophobicContact CG2-CB 4.09Å
473S34Very low29.3Very low92 Ų92126.3 Ų126.364%0.64368%0.678SS**  cis54.6771479.20000114.5
474K29.8Very low29.1Very low180 Ų180125 Ų12578%0.78367%0.665SS**  trans-173.9115.4152.7-104.8155.8-173.4-179.50111.3I472I472-K474 HydrophobicContact CG2-CB 4.09Å
475K35.5Very low29.2Very low193 Ų193126.1 Ų126.184%0.83966%0.664SS**  162.9145.6128.2-92-177.1172-1710109.4
476M28.6Very low29.3Very low131 Ų131124.4 Ų124.465%0.64565%0.652SS**  cis-175163.1-32.7-115.816283.100104.4
477D34.9Very low29.4Very low126 Ų126127 Ų12767%0.67466%0.66SS**  trans69.1105.5169.4-41-36.8000111.9
478I23.5Very low29.4Very low109 Ų109125.7 Ų125.756%0.55965%0.652SS**SBendcis39.8129.649.6-23.3174.5000112S480 S481I478-S480 WeakPolarHBondContact CG2-O 3.23Å; I478-S480 PolarHBondContact O-N 3.5Å; I478-S481 WeakPolarHBondContact CD1-O 3.48Å
479D39.5Very low29.3Very low168 Ų168123.7 Ų123.790%0.89864%0.637SS**SBendtrans-67.680147.8-76.9-31.7000107.9
480S23.8Very low29.3Very low88 Ų88124 Ų12462%0.61563%0.634SS**SBendtrans66.8141.9176.770.50000119.8I478I478-S480 WeakPolarHBondContact CG2-O 3.23Å; I478-S480 PolarHBondContact O-N 3.5Å
481S31.6Very low29.4Very low83 Ų83125.1 Ų125.158%0.5863%0.634SS**  trans77.6113.3159.266.80000121.6I478I478-S481 WeakPolarHBondContact CD1-O 3.48Å
482D32.2Very low29.4Very low137 Ų137128.8 Ų128.873%0.73365%0.649SS**  86.9127125.3-70.9-22.4000125.8
483L30.4Very low29.3Very low135 Ų135128 Ų12871%0.70765%0.646SS**  trans83.6109.1140.2-69.2162.5000122.1
484N30.5Very low28.9Very low126 Ų126132 Ų13267%0.67466%0.655SS**  trans83.5109.4140.8-60.2-26.9000118.4
485R27.6Very low28.6Very low199 Ų199131.2 Ų131.275%0.75166%0.659SS**  89.1144.359.9-102.1-180165.4-126.48.8111.7
486E30.6Very low28.4Very low129 Ų129128 Ų12860%0.60365%0.647SS**  trans86106.8154.8-72.3156.2-150.300117.2
487L28.2Very low28.4Very low122 Ų122126.7 Ų126.764%0.63965%0.646SS**  85.8144.563-91.781.2000110.9F470F470-L487 HydrophobicContact CE1-CD1 4.07Å; F470-L487 HydrophobicContact CE1-CG 4.19Å; F470-L487 HydrophobicContact CZ-CD1 3.74Å; F470-L487 HydrophobicContact CZ-CD2 4.01Å; F470-L487 HydrophobicContact CZ-CG 3.59Å
488V26.3Very low28.2Very low71 Ų71126.6 Ų126.643%0.4364%0.642SS.*  cis-172169.3-10.466.80000110.6F470F470-V488 HydrophobicContact CD2-CG2 3.74Å; F470-V488 HydrophobicContact CE1-CG2 4.24Å; F470-V488 HydrophobicContact CE2-CG2 3.26Å; F470-V488 HydrophobicContact CG-CG2 4.45Å; F470-V488 HydrophobicContact CZ-CG2 3.56Å
489T24.4Very low28.7Very low21 Ų21123.7 Ų123.713%0.12963%0.626CS.*  trans22.5128.2153.553.60000121.4Q469Q469-T489 HydrophobicContact CB-CG2 4.13Å; Q469-T489 VanDerWaalsContact O-CG2 3.3Å; Q469-T489 WeakPolarHBondContact O-CG2 3.09Å
490Y25.9Very low28.6Very low115 Ų115120.1 Ų120.145%0.45160%0.604SS.*  154.6109.9112.6-79.4-58.4000110.6S466 V467S466-Y490 WeakPolarHBondContact CA-OH 3.5Å; S466-Y490 WeakPolarHBondContact CB-OH 3.45Å; V467-Y490 WeakPolarHBondContact CA-OH 3.46Å; V467-Y490 WeakPolarHBondContact CB-OH 3.28Å; V467-Y490 WeakPolarHBondContact CG2-OH 3.41Å
491R24.3Very low29.3Very low163 Ų163118.6 Ų118.662%0.61559%0.593SS**  45.3106.579.4-83.6-160.9-166.6-172.55.3114.8
492D28.9Very low29.4Very low165 Ų165115 Ų11588%0.88257%0.568SS**  trans-148155.9131.4-95.6-38000109.4
493N24.3Very low29.7Very low135 Ų135109.6 Ų109.672%0.72254%0.54SS*.  trans-95.8115.2-162.2-57.9-57.4000113.6
494E26.2Very low29.9Very low177 Ų177106 Ų10683%0.82753%0.526SS*.  trans-134.8114.7154.7-71.4-171.3155.600109.3E496E494-E496 PolarHBondContact O-N 3.2Å; E494-E496 VanDerWaalsContact O-N 3.09Å
495N24Very low30.4Very low162 Ų162100.8 Ų100.887%0.86650%0.501SS*.  trans-84.473.3-169.7-71.9-47.1000112.2
496E29.5Very low31.3Very low126 Ų12692.5 Ų92.559%0.58947%0.471SS*.PPolyproline II helixtrans-88.3126.8171.2-71.9-160.1165.200112.8E494 Q498 R534E494-E496 PolarHBondContact O-N 3.2Å; E494-E496 VanDerWaalsContact O-N 3.09Å; E496-Q498 PolarHBondContact O-N 3Å; E496-R534 IonicContact OE1-NH1 3.78Å; E496-R534 IonicContact OE2-CZ 2.93Å; E496-R534 IonicContact OE2-NH1 2.67Å; E496-R534 PolarHBondContact OE2-NH1 3.25Å; E496-R534 IonicContact OE2-NH2 3.57Å; E496-R534 PolarHBondContact OE2-NH2 3.34Å
497V29.7Very low32Very low104 Ų10488.1 Ų88.163%0.6345%0.451SS*.PPolyproline II helixtrans-66.6126.9-172.2177.60000111.6E499V497-E499 PolarHBondContact O-N 3.38Å
498Q30.1Very low32.8Very low123 Ų12385 Ų8558%0.57544%0.44SS*.PPolyproline II helixtrans-65.4120.6-172.8-150.9168.2-4.700112E496 Q500E496-Q498 PolarHBondContact O-N 3Å; Q498-Q500 PolarHBondContact O-N 2.79Å
499E35.5Very low34Very low48 Ų4884.3 Ų84.322%0.22443%0.433CS..  trans-56.8115.3-172.7-71.4166-146.100113V497 S501 S502 R534 R537V497-E499 PolarHBondContact O-N 3.38Å; E499-S501 PolarHBondContact O-N 3.21Å; E499-S502 PolarHBondContact O-N 3.11Å; E499-S502 VanDerWaalsContact O-N 3.08Å; E499-S502 PolarHBondContact O-OG 2.86Å; E499-R534 IonicContact OE1-CZ 2.82Å; E499-R534 IonicContact OE1-NE 3.96Å; E499-R534 PolarHBondContact OE1-NE 2.96Å; E499-R534 VanDerWaalsContact OE1-NE 3.11Å; E499-R534 IonicContact OE1-NH2 3.78Å; E499-R537 IonicContact OE2-CZ 2.7Å; E499-R537 IonicContact OE2-NH1 3.62Å; E499-R537 PolarHBondContact OE2-NH1 2.68Å
500Q36.6Very low35.1Very low94 Ų9485.9 Ų85.944%0.43944%0.441SS..THydrogen-bonded Turntrans-73.2-5.9178.4-67.8-164.3-20.900114.8Q498 S502 N1436Q498-Q500 PolarHBondContact O-N 2.79Å; Q500-S502 VanDerWaalsContact C-N 3.3Å; Q500-N1436 PolarHBondContact NE2-ND2 2.94Å; Q500-N1436 PolarHBondContact NE2-OD1 3.16Å; Q500-N1436 VanDerWaalsContact NE2-OD1 3.11Å
501S38Very low36Very low55 Ų5587.6 Ų87.639%0.38545%0.453SS..THydrogen-bonded Turntrans-65.9-35.6164.846.20000111.3E499 T503E499-S501 PolarHBondContact O-N 3.21Å; S501-T503 PolarHBondContact O-N 3.41Å
502S33.5Very low36.6Very low9 Ų984.9 Ų84.96%0.06346%0.458CS..SBendtrans-86.1102.9168.345.10000110.7E499 Q500 E506 R537E499-S502 PolarHBondContact O-N 3.11Å; E499-S502 VanDerWaalsContact O-N 3.08Å; E499-S502 PolarHBondContact O-OG 2.86Å; Q500-S502 VanDerWaalsContact C-N 3.3Å; S502-E506 WeakPolarHBondContact CA-OE2 3.42Å; S502-R537 PolarHBondContact OG-NH1 3.15Å; S502-R537 PolarHBondContact OG-NH2 3.24Å
503T39.6Very low37.1Very low23 Ų2382.6 Ų82.614%0.14144%0.444CS..  trans-61.8156.6156.866.40000108.3S501 A505 E506 H1253S501-T503 PolarHBondContact O-N 3.41Å; T503-A505 PolarHBondContact O-N 3.38Å; T503-E506 PolarHBondContact O-N 2.69Å; T503-H1253 PolarHBondContact OG1-NE2 3.26Å
504S34.1Very low37.8Very low58 Ų5883.4 Ų83.441%0.40644%0.444SS..THydrogen-bonded Turntrans-59.6-9.817754.20000113.6
505A40.3Very low38.3Very low18 Ų1882.6 Ų82.615%0.14945%0.445CS..THydrogen-bonded Turntrans-86.411.6169.900000114.6T503 R1260T503-A505 PolarHBondContact O-N 3.38Å; A505-R1260 HydrophobicContact CB-CB 4.44Å; A505-R1260 HydrophobicContact CB-CG 3.96Å; A505-R1260 PolarHBondContact O-NE 3.12Å; A505-R1260 PolarHBondContact O-NH2 3.11Å
506E48.2Very low39.1Very low25 Ų2579.7 Ų79.712%0.11743%0.426CS..THydrogen-bonded Turntrans-111.2-21.5171.2-59.9-150.5133.800113.6S502 T503 H679S502-E506 WeakPolarHBondContact CA-OE2 3.42Å; T503-E506 PolarHBondContact O-N 2.69Å; E506-H679 WeakPolarHBondContact OE1-CB 3.11Å; E506-H679 PolarHBondContact OE1-N 3.26Å; E506-H679 WeakPolarHBondContact OE2-CB 3.14Å
507D44.1Very low39.7Very low36 Ų3680.6 Ų80.619%0.19344%0.441CS..G310 helixtrans-83.5-14.7-170.9-85.2-36.3000115.4D509 R537D507-D509 VanDerWaalsContact C-N 3.3Å; D507-D509 PolarHBondContact O-N 3.01Å; D507-R537 IonicContact OD1-CZ 3.38Å; D507-R537 IonicContact OD1-NH2 3.48Å; D507-R537 PolarHBondContact OD1-NH2 2.97Å; D507-R537 IonicContact OD2-NH2 2.81Å
508S45.6Very low40.8Very low58 Ų5880 Ų8041%0.40643%0.431SS..G310 helixtrans-70.7-21.2-176.456.10000114.8N510 R1260S508-N510 VanDerWaalsContact C-N 3.27Å; S508-N510 PolarHBondContact O-N 2.91Å; S508-R1260 PolarHBondContact OG-NH1 3.01Å
509D50.4Low42.2Very low55 Ų5575.7 Ų75.729%0.29442%0.415SS..G310 helixtrans-89.71.2-169-50.1-15000111.9D507 R1260D507-D509 VanDerWaalsContact C-N 3.3Å; D507-D509 PolarHBondContact O-N 3.01Å; D509-R1260 VanDerWaalsContact CG-NH2 3.29Å; D509-R1260 IonicContact OD1-CZ 3.68Å; D509-R1260 IonicContact OD1-NH1 3.58Å; D509-R1260 PolarHBondContact OD1-NH1 3.05Å; D509-R1260 IonicContact OD1-NH2 2.95Å; D509-R1260 PolarHBondContact OD1-NH2 3.21Å; D509-R1260 VanDerWaalsContact OD1-NH2 3.13Å; D509-R1260 IonicContact OD2-CZ 2.73Å; D509-R1260 IonicContact OD2-NH1 2.94Å; D509-R1260 IonicContact OD2-NH2 3.7Å; D509-R1260 PolarHBondContact OD2-NH2 3.33Å
510N48.3Very low43.5Very low55 Ų5573.6 Ų73.629%0.29441%0.405SS..  trans-111.661.3176.5-67.9-55.4000111S508 C512S508-N510 VanDerWaalsContact C-N 3.27Å; S508-N510 PolarHBondContact O-N 2.91Å; N510-C512 PolarHBondContact O-N 2.99Å
511E44.4Very low44.6Very low151 Ų15170.1 Ų70.171%0.70639%0.389SS*.  trans-63.8116.2170.2-81.4174.2-16600109.9I513 K657E511-I513 PolarHBondContact O-N 3.36Å; E511-K657 IonicContact OE1-NZ 2.84Å
512C37.9Very low45.3Very low105 Ų10569.8 Ų69.871%0.70939%0.386SS*.  trans-81.3115.1-176-176.90000110.3N510N510-C512 PolarHBondContact O-N 2.99Å
513I39.7Very low46Very low117 Ų11773.5 Ų73.560%0.641%0.41SS*.  trans-112.4121.1167.1-60.4-179.6000108.2E511E511-I513 PolarHBondContact O-N 3.36Å
514Q38.5Very low46.5Very low153 Ų15375.8 Ų75.872%0.71542%0.419SS*.  trans-72.8153.2177.3-64.5167.2-29.200110.4
515N36.5Very low46.7Very low159 Ų15983 Ų8385%0.8544%0.443SS*.  trans67.456.9163.8-50.5-22.7000117.9
516E41Very low46.7Very low101 Ų10194 Ų9447%0.47248%0.481SS..  trans-131.5129158.8-65-162.1145.500112.6E518 K604E516-E518 PolarHBondContact O-N 3.3Å; E516-K604 IonicContact OE1-NZ 3.87Å; E516-K604 PolarHBondContact OE1-NZ 2.73Å; E516-K604 WeakPolarHBondContact OE2-CD 3.32Å; E516-K604 WeakPolarHBondContact OE2-CE 3.27Å; E516-K604 IonicContact OE2-NZ 2.91Å; E516-K604 PolarHBondContact OE2-NZ 3.4Å
517T41.6Very low46.7Very low146 Ų14694.3 Ų94.390%0.89649%0.486SS*.SBendtrans-74.418.5-169.224.10000115.6
518E53.3Low47.2Very low90 Ų9096.3 Ų96.342%0.42150%0.503SS..  trans-126.230.9-165-60.2-165126.500115.4E516 R581E516-E518 PolarHBondContact O-N 3.3Å; E518-R581 PolarHBondContact O-NH2 3.4Å
519S58.5Low47.6Very low33 Ų3398.3 Ų98.323%0.23151%0.512CS..  trans-64148.2173.252.30000112.9L521 R577S519-L521 CarbonylContact C-O 3.47Å; S519-L521 WeakPolarHBondContact CB-O 3.5Å; S519-L521 PolarHBondContact O-N 2.86Å; S519-L521 PolarHBondContact OG-O 3.48Å; S519-R577 PolarHBondContact O-NH1 3.4Å; S519-R577 VanDerWaalsContact O-NH1 3.1Å
520L62.8Low47.8Very low5 Ų597.9 Ų97.93%0.02652%0.516CS..SBendtrans-59.6-45.3175.5-84.7175.9000111.5L539 R577 I578 Q609 V612L520-L539 HydrophobicContact CD1-CD2 4.42Å; L520-R577 HydrophobicContact CD2-CB 4.17Å; L520-R577 WeakPolarHBondContact O-CD 3.44Å; L520-R577 PolarHBondContact O-NH1 3.16Å; L520-I578 HydrophobicContact CD2-CG1 3.88Å; L520-Q609 HydrophobicContact CD1-CB 4.02Å; L520-Q609 HydrophobicContact CD1-CG 3.9Å; L520-Q609 HydrophobicContact CG-CG 4.49Å; L520-V612 HydrophobicContact CD1-CG1 4.24Å
521L61.5Low48.2Very low20 Ų2097.1 Ų97.111%0.10552%0.515CS..SBendtrans-85.5150.5171.6-62.7171.9000110.6I421 S519 L539 I574 R577I421-L521 HydrophobicContact CD1-CD1 4.27Å; S519-L521 CarbonylContact C-O 3.47Å; S519-L521 WeakPolarHBondContact CB-O 3.5Å; S519-L521 PolarHBondContact O-N 2.86Å; S519-L521 PolarHBondContact OG-O 3.48Å; L521-L539 HydrophobicContact CD1-CD1 3.73Å; L521-L539 HydrophobicContact CG-CD1 4.02Å; L521-I574 HydrophobicContact CD2-CD1 4.01Å; L521-R577 PolarHBondContact O-NH1 3.12Å
522P52.6Low48.8Very low49 Ų4995.5 Ų95.532%0.31850%0.503SS..  trans-60.4148.6173.7-20.933.4000111.9H524 R577P522-H524 PolarHBondContact O-N 3.03Å; P522-H524 VanDerWaalsContact O-N 3.12Å; P522-R577 VanDerWaalsContact N-NH1 3.17Å
523P48.1Very low49.8Very low87 Ų8795.1 Ų95.157%0.56549%0.489SS*.  trans-72.7102.6172.429.7-32.8000109.9
524H49.9Very low50.8Low71 Ų7193 Ų9333%0.32947%0.473SS..  trans-69.3139.3167.3-71.2-88.2000110I421 P522 R526I421-H524 VanDerWaalsContact CD1-CD2 3.5Å; I421-H524 WeakPolarHBondContact CD1-CD2 3.38Å; I421-H524 WeakPolarHBondContact CD1-NE2 3.48Å; P522-H524 PolarHBondContact O-N 3.03Å; P522-H524 VanDerWaalsContact O-N 3.12Å; H524-R526 PolarHBondContact O-N 3.02Å
525F38.6Very low52Low208 Ų20886.7 Ų86.791%0.91244%0.444SS*.THydrogen-bonded Turntrans-62122.2-178.2-86-94.2000111.4
526R38.7Very low53.2Low251 Ų25180.1 Ų80.195%0.94741%0.413SS*.THydrogen-bonded Turntrans61.666.6172.3-57.7-173.8178.4-157.92.1116.8H524H524-R526 PolarHBondContact O-N 3.02Å
527S48.5Very low54.4Low30 Ų3076.3 Ų76.321%0.2140%0.395CS..  trans-95.2132.7165.643.70000113.3W532S527-W532 PolarHBondContact O-NE1 2.89Å; S527-W532 VanDerWaalsContact OG-CZ2 3.29Å; S527-W532 WeakPolarHBondContact OG-CZ2 3.43Å; S527-W532 PolarHBondContact OG-NE1 3.4Å
528S54.2Low56Low79 Ų7969.6 Ų69.655%0.55235%0.353SS*.  trans-65154.2173.3170.70000112.1A530 C531 W532S528-A530 PolarHBondContact O-N 2.91Å; S528-A530 VanDerWaalsContact O-N 3.15Å; S528-C531 WeakPolarHBondContact O-CA 3.33Å; S528-C531 VanDerWaalsContact O-CB 3.25Å; S528-C531 WeakPolarHBondContact O-CB 3.41Å; S528-C531 PolarHBondContact O-N 3.26Å; S528-W532 PolarHBondContact O-N 3.25Å
529T54.1Low57.2Low99 Ų9966.1 Ų66.161%0.60734%0.337SS*.Hα-helixtrans-56.1-30.9177.1550000113.2K533T529-K533 PolarHBondContact O-N 2.77Å; T529-K533 VanDerWaalsContact O-N 3.1Å
530A54.4Low58.3Low46 Ų4665 Ų6538%0.3833%0.328SS..Hα-helixtrans-65.8-40.8172.100000112.2S528 K533 R534S528-A530 PolarHBondContact O-N 2.91Å; S528-A530 VanDerWaalsContact O-N 3.15Å; A530-K533 PolarHBondContact O-N 3.11Å; A530-R534 PolarHBondContact O-N 2.99Å
531C57.8Low59.4Low39 Ų3964.8 Ų64.826%0.26433%0.327SS..Hα-helixtrans-63.7-44.7175-177.40000111.1S528 K533 R534 Q535S528-C531 WeakPolarHBondContact O-CA 3.33Å; S528-C531 VanDerWaalsContact O-CB 3.25Å; S528-C531 WeakPolarHBondContact O-CB 3.41Å; S528-C531 PolarHBondContact O-N 3.26Å; C531-K533 VanDerWaalsContact C-N 3.31Å; C531-K533 PolarHBondContact O-N 3.32Å; C531-R534 PolarHBondContact O-N 2.81Å; C531-Q535 WeakPolarHBondContact O-CB 3.45Å; C531-Q535 WeakPolarHBondContact O-CG 3.34Å; C531-Q535 PolarHBondContact O-N 2.9Å
532W56.2Low60.3Low118 Ų11864.5 Ų64.545%0.44733%0.328SS..Hα-helixtrans-58.2-40.5173.6-7098.4000112.7S527 S528 G536S527-W532 PolarHBondContact O-NE1 2.89Å; S527-W532 VanDerWaalsContact OG-CZ2 3.29Å; S527-W532 WeakPolarHBondContact OG-CZ2 3.43Å; S527-W532 PolarHBondContact OG-NE1 3.4Å; S528-W532 PolarHBondContact O-N 3.25Å; W532-G536 PolarHBondContact O-N 3.1Å
533K59Low61.8Low97 Ų9762.2 Ų62.242%0.42231%0.313SS..Hα-helixtrans-65.1-45.2175.2-75.5-173.6174.6-164.80112.3T529 A530 C531 G536 R537T529-K533 PolarHBondContact O-N 2.77Å; T529-K533 VanDerWaalsContact O-N 3.1Å; A530-K533 PolarHBondContact O-N 3.11Å; C531-K533 VanDerWaalsContact C-N 3.31Å; C531-K533 PolarHBondContact O-N 3.32Å; K533-G536 PolarHBondContact O-N 2.83Å; K533-R537 WeakPolarHBondContact O-CG 3.47Å; K533-R537 PolarHBondContact O-N 2.92Å
534R61.7Low63.7Low71 Ų7158 Ų5827%0.26829%0.286SS..Hα-helixtrans-63.8-44.1175.2-74.9-168.5-179.2133.28.4112.1E496 E499 A530 C531 G536 R537 L538E496-R534 IonicContact OE1-NH1 3.78Å; E496-R534 IonicContact OE2-CZ 2.93Å; E496-R534 IonicContact OE2-NH1 2.67Å; E496-R534 PolarHBondContact OE2-NH1 3.25Å; E496-R534 IonicContact OE2-NH2 3.57Å; E496-R534 PolarHBondContact OE2-NH2 3.34Å; E499-R534 IonicContact OE1-CZ 2.82Å; E499-R534 IonicContact OE1-NE 3.96Å; E499-R534 PolarHBondContact OE1-NE 2.96Å; E499-R534 VanDerWaalsContact OE1-NE 3.11Å; E499-R534 IonicContact OE1-NH2 3.78Å; A530-R534 PolarHBondContact O-N 2.99Å; C531-R534 PolarHBondContact O-N 2.81Å; R534-G536 VanDerWaalsContact C-N 3.31Å; R534-G536 PolarHBondContact O-N 3.32Å; R534-R537 CarbonylContact O-C 3.27Å; R534-R537 WeakPolarHBondContact O-CA 3.38Å; R534-R537 PolarHBondContact O-N 2.98Å; R534-L538 WeakPolarHBondContact O-CB 3.45Å; R534-L538 WeakPolarHBondContact O-CG 3.13Å; R534-L538 PolarHBondContact O-N 3.49Å
535Q62.3Low65.5Low22 Ų2254.9 Ų54.910%0.10327%0.272CS..Hα-helixtrans-58.8-41.4173.9-74.3179.9-13.700111.8I421 C531 L538 L539I421-Q535 HydrophobicContact CG2-CG 4.21Å; C531-Q535 WeakPolarHBondContact O-CB 3.45Å; C531-Q535 WeakPolarHBondContact O-CG 3.34Å; C531-Q535 PolarHBondContact O-N 2.9Å; Q535-L538 PolarHBondContact O-N 3.39Å; Q535-L539 WeakPolarHBondContact O-CA 3.17Å; Q535-L539 PolarHBondContact O-N 3.02Å
536G62.3Low67.9Low20 Ų2045 Ų4521%0.20623%0.229CC..Hα-helixtrans-59.4-44.7170.800000112.7W532 K533 R534 L538W532-G536 PolarHBondContact O-N 3.1Å; K533-G536 PolarHBondContact O-N 2.83Å; R534-G536 VanDerWaalsContact C-N 3.31Å; R534-G536 PolarHBondContact O-N 3.32Å; G536-L538 VanDerWaalsContact C-N 3.3Å; G536-L538 PolarHBondContact O-N 2.99Å
537R66.7Low70.4Confident22 Ų2233.1 Ų33.18%0.08318%0.184CC..Hα-helixtrans-69.3-21178.1-69.3173.8-177.2-153.3-2.3114.3R332 E499 S502 D507 K533 R534 H540 H679R332-R537 PolarHBondContact NH2-O 3.02Å; E499-R537 IonicContact OE2-CZ 2.7Å; E499-R537 IonicContact OE2-NH1 3.62Å; E499-R537 PolarHBondContact OE2-NH1 2.68Å; S502-R537 PolarHBondContact OG-NH1 3.15Å; S502-R537 PolarHBondContact OG-NH2 3.24Å; D507-R537 IonicContact OD1-CZ 3.38Å; D507-R537 IonicContact OD1-NH2 3.48Å; D507-R537 PolarHBondContact OD1-NH2 2.97Å; D507-R537 IonicContact OD2-NH2 2.81Å; K533-R537 WeakPolarHBondContact O-CG 3.47Å; K533-R537 PolarHBondContact O-N 2.92Å; R534-R537 CarbonylContact O-C 3.27Å; R534-R537 WeakPolarHBondContact O-CA 3.38Å; R534-R537 PolarHBondContact O-N 2.98Å; R537-H540 PolarHBondContact O-CE1 2.89Å; R537-H679 WeakPolarHBondContact CA-NE2 3.45Å; R537-H679 PolarHBondContact O-CE1 3.15Å; R537-H679 VanDerWaalsContact O-CE1 3.28Å
538L74.8Confident72.4Confident4 Ų431.8 Ų31.82%0.02118%0.175CC..Hα-helixtrans-110.11-177.6-70159.4000113.1P422 C423 R534 Q535 G536 H540 L541 A542P422-L538 HydrophobicContact CB-CB 4.22Å; P422-L538 HydrophobicContact CB-CD1 4.17Å; P422-L538 HydrophobicContact CB-CD2 4.49Å; C423-L538 HydrophobicContact CB-CD1 4.44Å; R534-L538 WeakPolarHBondContact O-CB 3.45Å; R534-L538 WeakPolarHBondContact O-CG 3.13Å; R534-L538 PolarHBondContact O-N 3.49Å; Q535-L538 PolarHBondContact O-N 3.39Å; G536-L538 VanDerWaalsContact C-N 3.3Å; G536-L538 PolarHBondContact O-N 2.99Å; L538-H540 VanDerWaalsContact C-N 3.26Å; L538-H540 PolarHBondContact O-N 3.5Å; L538-H540 VanDerWaalsContact O-N 3.15Å; L538-L541 HydrophobicContact CD2-CD1 3.65Å; L538-L541 HydrophobicContact CD2-CG 4.49Å; L538-L541 WeakPolarHBondContact O-CB 3.39Å; L538-L541 PolarHBondContact O-N 3.43Å; L538-A542 PolarHBondContact O-N 2.84Å; L538-A542 VanDerWaalsContact O-N 3.16Å
539L78.6Confident74Confident17 Ų1728.1 Ų28.19%0.08915%0.149CC..Hα-helixtrans-53.4-41-173.8-173.567.4000112.9L520 L521 Q535 L541 A542 T543 N608 V612L520-L539 HydrophobicContact CD1-CD2 4.42Å; L521-L539 HydrophobicContact CD1-CD1 3.73Å; L521-L539 HydrophobicContact CG-CD1 4.02Å; Q535-L539 WeakPolarHBondContact O-CA 3.17Å; Q535-L539 PolarHBondContact O-N 3.02Å; L539-L541 VanDerWaalsContact C-N 3.31Å; L539-L541 PolarHBondContact O-N 2.74Å; L539-A542 PolarHBondContact O-N 2.75Å; L539-T543 HydrophobicContact CD1-CG2 4.25Å; L539-T543 HydrophobicContact CG-CG2 4.49Å; L539-T543 WeakPolarHBondContact O-CG2 3.34Å; L539-T543 PolarHBondContact O-N 3.43Å; L539-T543 PolarHBondContact O-OG1 3.19Å; L539-N608 HydrophobicContact CD2-CB 4.24Å; L539-V612 HydrophobicContact CD2-CG2 4.01Å; L539-V612 HydrophobicContact CG-CG2 4.04Å
540H81.9Confident75.6Confident9 Ų923.5 Ų23.54%0.04212%0.12CC..Hα-helixtrans-65.7-29.3179.565.2-85.5000113.7W378 R537 L538 A544W378-H540 AromaticContact CD1-CD2 3.96Å; W378-H540 AromaticContact NE1-CD2 3.64Å; R537-H540 PolarHBondContact O-CE1 2.89Å; L538-H540 VanDerWaalsContact C-N 3.26Å; L538-H540 PolarHBondContact O-N 3.5Å; L538-H540 VanDerWaalsContact O-N 3.15Å; H540-A544 PolarHBondContact O-N 2.87Å
541L84.8Confident77.2Confident1 Ų121.4 Ų21.41%0.00510%0.103CC..Hα-helixtrans-73.8-50.2172.4-58.5-174.6000109.9H374 Y375 W378 P422 L538 L539 T543 A544H374-L541 HydrophobicContact CB-CB 4.31Å; Y375-L541 HydrophobicContact CD1-CD1 4.24Å; Y375-L541 HydrophobicContact CE1-CD1 3.82Å; Y375-L541 HydrophobicContact CE2-CD1 4.21Å; W378-L541 HydrophobicContact CB-CD2 3.51Å; W378-L541 HydrophobicContact CD2-CD2 3.65Å; W378-L541 HydrophobicContact CE3-CD2 4.09Å; W378-L541 HydrophobicContact CG-CD2 3.39Å; P422-L541 HydrophobicContact CG-CB 4.46Å; L538-L541 HydrophobicContact CD2-CD1 3.65Å; L538-L541 HydrophobicContact CD2-CG 4.49Å; L538-L541 WeakPolarHBondContact O-CB 3.39Å; L538-L541 PolarHBondContact O-N 3.43Å; L539-L541 VanDerWaalsContact C-N 3.31Å; L539-L541 PolarHBondContact O-N 2.74Å; L541-T543 PolarHBondContact O-N 2.85Å; L541-A544 VanDerWaalsContact O-CB 3.28Å; L541-A544 WeakPolarHBondContact O-CB 3.07Å; L541-A544 PolarHBondContact O-N 3.5Å
542A80.2Confident78.6Confident15 Ų1519.7 Ų19.712%0.1249%0.091CC..Hα-helixtrans-59.2-32.7-179.400000113.3P422 L538 L539P422-A542 HydrophobicContact CG-CB 4.23Å; L538-A542 PolarHBondContact O-N 2.84Å; L538-A542 VanDerWaalsContact O-N 3.16Å; L539-A542 PolarHBondContact O-N 2.75Å
543T85.1Confident80Confident0 Ų015.4 Ų15.40%08%0.077CC..THydrogen-bonded Turntrans-92.6-5.6177.4600000114.2L539 L541 P545 V546 C547 I574 V612L539-T543 HydrophobicContact CD1-CG2 4.25Å; L539-T543 HydrophobicContact CG-CG2 4.49Å; L539-T543 WeakPolarHBondContact O-CG2 3.34Å; L539-T543 PolarHBondContact O-N 3.43Å; L539-T543 PolarHBondContact O-OG1 3.19Å; L541-T543 PolarHBondContact O-N 2.85Å; T543-P545 VanDerWaalsContact C-CD 3.42Å; T543-V546 PolarHBondContact O-N 3.39Å; T543-V546 VanDerWaalsContact O-N 3.09Å; T543-C547 PolarHBondContact O-N 3.33Å; T543-C547 PolarHBondContact O-SG 3.03Å; T543-C547 VanDerWaalsContact O-SG 3.33Å; T543-I574 HydrophobicContact CG2-CG2 4.43Å; T543-V612 HydrophobicContact CG2-CG1 3.93Å; T543-V612 WeakPolarHBondContact OG1-CG1 3.15Å
544A88.6Confident81Confident0 Ų012.9 Ų12.90%06%0.064CC..Hα-helixtrans-55.5-41.1-178.800000114.2W378 L381 H540 L541 V546 C547 L548W378-A544 HydrophobicContact CB-CB 4.2Å; L381-A544 HydrophobicContact CD2-CB 3.99Å; H540-A544 PolarHBondContact O-N 2.87Å; L541-A544 VanDerWaalsContact O-CB 3.28Å; L541-A544 WeakPolarHBondContact O-CB 3.07Å; L541-A544 PolarHBondContact O-N 3.5Å; A544-V546 VanDerWaalsContact C-N 3.33Å; A544-V546 PolarHBondContact O-N 3.09Å; A544-C547 PolarHBondContact O-N 3.39Å; A544-L548 WeakPolarHBondContact O-CB 3.29Å; A544-L548 PolarHBondContact O-N 3.3Å
545P88.1Confident82Confident5 Ų511.8 Ų11.83%0.0326%0.061CC..Hα-helixtrans-59.9-41175.3-17.526.8000112.8M377 F403 F407 T543 L548 W549M377-P545 HydrophobicContact CB-CG 4.42Å; M377-P545 HydrophobicContact CG-CB 4.03Å; M377-P545 HydrophobicContact CG-CG 3.85Å; F403-P545 HydrophobicContact CD2-CB 3.96Å; F403-P545 HydrophobicContact CE2-CB 3.74Å; F407-P545 HydrophobicContact CE2-CG 4.27Å; F407-P545 HydrophobicContact CZ-CG 4.31Å; T543-P545 VanDerWaalsContact C-CD 3.42Å; P545-L548 PolarHBondContact O-N 3.07Å; P545-W549 PolarHBondContact O-N 3.45Å
546V88.7Confident83Confident1 Ų111.5 Ų11.51%0.0066%0.062CC..Hα-helixtrans-69.3-41-179.5-176.20000111.1T543 A544 W549 Q550 L571 I574 E575 I578T543-V546 PolarHBondContact O-N 3.39Å; T543-V546 VanDerWaalsContact O-N 3.09Å; A544-V546 VanDerWaalsContact C-N 3.33Å; A544-V546 PolarHBondContact O-N 3.09Å; V546-W549 PolarHBondContact O-N 2.73Å; V546-Q550 PolarHBondContact O-N 2.81Å; V546-L571 HydrophobicContact CG2-CB 4.3Å; V546-L571 HydrophobicContact CG2-CD2 3.96Å; V546-I574 HydrophobicContact CB-CG2 4.5Å; V546-I574 HydrophobicContact CG1-CG2 4.41Å; V546-I574 HydrophobicContact CG2-CB 4.13Å; V546-I574 HydrophobicContact CG2-CG2 3.95Å; V546-E575 HydrophobicContact CG1-CB 4Å; V546-I578 HydrophobicContact CG1-CD1 4.04Å
547C90.3Very high83.8Confident1 Ų119.3 Ų19.31%0.0079%0.085CC..Hα-helixtrans-61.9-42.6175-62.20000111.7L381 T543 A544 Q550 H551 A616L381-C547 HydrophobicContact CD1-CB 3.75Å; L381-C547 HydrophobicContact CD2-CB 3.8Å; L381-C547 HydrophobicContact CG-CB 4.46Å; T543-C547 PolarHBondContact O-N 3.33Å; T543-C547 PolarHBondContact O-SG 3.03Å; T543-C547 VanDerWaalsContact O-SG 3.33Å; A544-C547 PolarHBondContact O-N 3.39Å; C547-Q550 PolarHBondContact O-N 3.28Å; C547-H551 PolarHBondContact O-CD2 3.24Å; C547-H551 VanDerWaalsContact O-CD2 3.24Å; C547-H551 PolarHBondContact O-N 2.99Å; C547-H551 VanDerWaalsContact O-N 3.14Å; C547-A616 HydrophobicContact CB-CB 4.33Å
548L89.9Confident84.1Confident2 Ų225.4 Ų25.41%0.0112%0.119CC..Hα-helixtrans-62.7-48.1176.5178.965.6000111.6M377 V380 L381 T384 C399 A544 P545 Q550 H551 V552M377-L548 HydrophobicContact CG-CD2 4.45Å; M377-L548 HydrophobicContact SD-CD2 3.43Å; M377-L548 WeakPolarHBondContact SD-CD2 3.42Å; V380-L548 HydrophobicContact CG1-CD1 4.04Å; V380-L548 HydrophobicContact CG1-CD2 3.66Å; L381-L548 HydrophobicContact CD1-CB 4.44Å; T384-L548 HydrophobicContact CG2-CD1 3.95Å; T384-L548 VanDerWaalsContact OG1-CD1 3.29Å; T384-L548 WeakPolarHBondContact OG1-CD1 3.42Å; C399-L548 HydrophobicContact CB-CD2 4.25Å; A544-L548 WeakPolarHBondContact O-CB 3.29Å; A544-L548 PolarHBondContact O-N 3.3Å; P545-L548 PolarHBondContact O-N 3.07Å; L548-Q550 VanDerWaalsContact C-N 3.3Å; L548-Q550 PolarHBondContact O-N 3.19Å; L548-H551 PolarHBondContact O-N 3.09Å; L548-V552 WeakPolarHBondContact O-CG2 3.49Å; L548-V552 PolarHBondContact O-N 2.95Å; L548-V552 VanDerWaalsContact O-N 3.13Å
549W88.9Confident83.9Confident1 Ų127.2 Ų27.20%0.00414%0.139CC..Hα-helixtrans-58.3-39.8175.7-92.194.2000112.1L400 F403 P545 V546 V552 L553 R565 M567 P568 L571L400-W549 HydrophobicContact CD2-CD2 4.06Å; L400-W549 HydrophobicContact CD2-CE3 4.26Å; L400-W549 HydrophobicContact CD2-CH2 4.14Å; L400-W549 HydrophobicContact CD2-CZ2 3.92Å; L400-W549 HydrophobicContact CD2-CZ3 4.29Å; F403-W549 AromaticContact CD1-NE1 3.85Å; F403-W549 AromaticContact CG-NE1 3.82Å; P545-W549 PolarHBondContact O-N 3.45Å; V546-W549 PolarHBondContact O-N 2.73Å; W549-V552 PolarHBondContact O-N 3.45Å; W549-L553 HydrophobicContact CE3-CD1 4.26Å; W549-L553 HydrophobicContact CE3-CG 4.26Å; W549-L553 VanDerWaalsContact O-CB 3.29Å; W549-L553 WeakPolarHBondContact O-CB 3.49Å; W549-L553 WeakPolarHBondContact O-CD1 3.17Å; W549-L553 WeakPolarHBondContact O-CG 3.37Å; W549-L553 PolarHBondContact O-N 2.92Å; W549-R565 HydrophobicContact CH2-CG 4.5Å; W549-M567 HydrophobicContact CB-CG 4.46Å; W549-M567 HydrophobicContact CB-SD 4.33Å; W549-M567 HydrophobicContact CD2-CB 4.49Å; W549-M567 HydrophobicContact CD2-CG 3.98Å; W549-M567 HydrophobicContact CE3-CB 3.93Å; W549-M567 HydrophobicContact CE3-CG 3.89Å; W549-M567 HydrophobicContact CG-CG 4.25Å; W549-M567 HydrophobicContact CZ3-CB 4.1Å; W549-M567 HydrophobicContact CZ3-CG 4.46Å; W549-P568 VanDerWaalsContact CZ2-CD 3.44Å; W549-P568 HydrophobicContact CZ2-CG 4.06Å; W549-L571 VanDerWaalsContact CD1-CD1 3.43Å; W549-L571 HydrophobicContact CG-CD1 4.02Å
550Q88.2Confident83.2Confident3 Ų335 Ų351%0.01417%0.174CC..Hα-helixtrans-62.6-44.7176-81.9-64.8-31.400113.1V546 C547 L548 V552 L553 R554 E575 A616 F617V546-Q550 PolarHBondContact O-N 2.81Å; C547-Q550 PolarHBondContact O-N 3.28Å; L548-Q550 VanDerWaalsContact C-N 3.3Å; L548-Q550 PolarHBondContact O-N 3.19Å; Q550-V552 PolarHBondContact O-N 3.14Å; Q550-L553 PolarHBondContact O-N 3.35Å; Q550-R554 WeakPolarHBondContact O-CB 3.47Å; Q550-R554 VanDerWaalsContact O-CG 3.26Å; Q550-R554 WeakPolarHBondContact O-CG 3.45Å; Q550-R554 PolarHBondContact O-N 3.01Å; Q550-E575 PolarHBondContact NE2-OE1 3.37Å; Q550-A616 HydrophobicContact CB-CB 4.43Å; Q550-A616 WeakPolarHBondContact CB-O 3.49Å; Q550-F617 HydrophobicContact CB-CE1 4.33Å; Q550-F617 HydrophobicContact CG-CE1 3.99Å
551H87.6Confident82.6Confident2 Ų238.3 Ų38.31%0.00919%0.193CC..Hα-helixtrans-58.6-45.8175.4-78.8-58.5000112.3I388 C547 L548 R554 K555 S618 T619I388-H551 HydrophobicContact CD1-CB 3.9Å; I388-H551 WeakPolarHBondContact CD1-O 3.45Å; C547-H551 PolarHBondContact O-CD2 3.24Å; C547-H551 VanDerWaalsContact O-CD2 3.24Å; C547-H551 PolarHBondContact O-N 2.99Å; C547-H551 VanDerWaalsContact O-N 3.14Å; L548-H551 PolarHBondContact O-N 3.09Å; H551-R554 PolarHBondContact O-N 3.43Å; H551-K555 WeakPolarHBondContact O-CB 3.3Å; H551-K555 PolarHBondContact O-N 3.15Å; H551-S618 WeakPolarHBondContact NE2-CA 3.32Å; H551-S618 WeakPolarHBondContact NE2-CB 3.38Å; H551-S618 PolarHBondContact NE2-N 3Å; H551-S618 PolarHBondContact NE2-OG 3.02Å; H551-T619 WeakPolarHBondContact CE1-CB 3.46Å; H551-T619 WeakPolarHBondContact CE1-CG2 3.5Å; H551-T619 PolarHBondContact CE1-OG1 3.36Å; H551-T619 WeakPolarHBondContact ND1-CG2 3.37Å; H551-T619 PolarHBondContact ND1-OG1 3.16Å; H551-T619 VanDerWaalsContact ND1-OG1 3.09Å; H551-T619 WeakPolarHBondContact NE2-CG2 3.48Å; H551-T619 PolarHBondContact NE2-N 3.33Å; H551-T619 PolarHBondContact NE2-OG1 3.3Å
552V86.7Confident81.8Confident2 Ų247.2 Ų47.21%0.01223%0.234CC..Hα-helixtrans-67.1-45.6179.8176.50000111.7L393 F396 L400 L548 W549 Q550 R554 K555 S556 L563L393-V552 HydrophobicContact CD1-CG1 4.12Å; F396-V552 HydrophobicContact CB-CG2 4.4Å; L400-V552 HydrophobicContact CD1-CG1 4.18Å; L400-V552 HydrophobicContact CD2-CG1 4.26Å; L400-V552 HydrophobicContact CG-CG1 4.49Å; L548-V552 WeakPolarHBondContact O-CG2 3.49Å; L548-V552 PolarHBondContact O-N 2.95Å; L548-V552 VanDerWaalsContact O-N 3.13Å; W549-V552 PolarHBondContact O-N 3.45Å; Q550-V552 PolarHBondContact O-N 3.14Å; V552-R554 VanDerWaalsContact C-N 3.33Å; V552-R554 PolarHBondContact O-N 3.15Å; V552-K555 PolarHBondContact O-N 3.03Å; V552-S556 PolarHBondContact O-N 3.15Å; V552-L563 HydrophobicContact CG1-CD1 4.39Å; V552-L563 HydrophobicContact CG1-CD2 3.71Å
553L84.7Confident81.6Confident29 Ų2948.1 Ų48.115%0.15224%0.236CC..Hα-helixtrans-60.5-39.7176.5-74.3165.6000112.3W549 Q550 R557 L563 M567W549-L553 HydrophobicContact CE3-CD1 4.26Å; W549-L553 HydrophobicContact CE3-CG 4.26Å; W549-L553 VanDerWaalsContact O-CB 3.29Å; W549-L553 WeakPolarHBondContact O-CB 3.49Å; W549-L553 WeakPolarHBondContact O-CD1 3.17Å; W549-L553 WeakPolarHBondContact O-CG 3.37Å; W549-L553 PolarHBondContact O-N 2.92Å; Q550-L553 PolarHBondContact O-N 3.35Å; L553-R557 WeakPolarHBondContact O-CG 3.45Å; L553-R557 PolarHBondContact O-N 3.37Å; L553-L563 HydrophobicContact CD2-CD1 3.78Å; L553-L563 HydrophobicContact CG-CD1 4.47Å; L553-M567 HydrophobicContact CD1-CB 4.34Å; L553-M567 HydrophobicContact CD1-SD 4.08Å
554R80.8Confident80.8Confident43 Ų4353 Ų5316%0.16227%0.268CS..Hα-helixtrans-72.4-41.1179.3-73.1173.1171.6-125.6-11.9112.1Q550 H551 V552 S556 R557 L558 F617 D620Q550-R554 WeakPolarHBondContact O-CB 3.47Å; Q550-R554 VanDerWaalsContact O-CG 3.26Å; Q550-R554 WeakPolarHBondContact O-CG 3.45Å; Q550-R554 PolarHBondContact O-N 3.01Å; H551-R554 PolarHBondContact O-N 3.43Å; V552-R554 VanDerWaalsContact C-N 3.33Å; V552-R554 PolarHBondContact O-N 3.15Å; R554-S556 VanDerWaalsContact C-N 3.33Å; R554-S556 PolarHBondContact O-N 3.01Å; R554-R557 PolarHBondContact O-N 3.32Å; R554-L558 WeakPolarHBondContact O-CG 3.44Å; R554-L558 PolarHBondContact O-N 2.97Å; R554-F617 VanDerWaalsContact NE-CD1 3.33Å; R554-F617 VanDerWaalsContact NH1-CD1 3.31Å; R554-F617 VanDerWaalsContact NH2-CD1 3.29Å; R554-D620 IonicContact CZ-OD1 3.76Å; R554-D620 IonicContact CZ-OD2 3.36Å; R554-D620 IonicContact NH1-OD1 3.71Å; R554-D620 PolarHBondContact NH1-OD1 3.43Å; R554-D620 IonicContact NH1-OD2 2.69Å; R554-D620 PolarHBondContact NH1-OD2 2.79Å
555K82.7Confident80.1Confident48 Ų4855.8 Ų55.821%0.20928%0.278CS..Hα-helixtrans-60.8-41.1173.4-175.673.2176.8-154.90111.6I388 G389 N391 L393 H551 V552 L558 G559I388-K555 HydrophobicContact CD1-CB 3.93Å; I388-K555 HydrophobicContact CD1-CG 4.35Å; I388-K555 HydrophobicContact CG1-CB 4.19Å; I388-K555 HydrophobicContact CG1-CD 4.27Å; I388-K555 HydrophobicContact CG1-CG 4.12Å; I388-K555 WeakPolarHBondContact O-CE 3.48Å; I388-K555 PolarHBondContact O-NZ 3.17Å; G389-K555 PolarHBondContact O-NZ 3.07Å; N391-K555 WeakPolarHBondContact O-CE 3.46Å; N391-K555 PolarHBondContact O-NZ 3.31Å; L393-K555 HydrophobicContact CB-CG 4.24Å; L393-K555 HydrophobicContact CD1-CB 3.92Å; L393-K555 HydrophobicContact CD1-CG 3.79Å; H551-K555 WeakPolarHBondContact O-CB 3.3Å; H551-K555 PolarHBondContact O-N 3.15Å; V552-K555 PolarHBondContact O-N 3.03Å; K555-L558 PolarHBondContact O-N 2.68Å; K555-G559 PolarHBondContact O-N 2.84Å
556S82.4Confident79.7Confident17 Ų1760.7 Ų60.712%0.11931%0.308CS..Hα-helixtrans-59.4-48.7171.8160.10000113V552 R554 L558 G559 Q560 D561 L563V552-S556 PolarHBondContact O-N 3.15Å; R554-S556 VanDerWaalsContact C-N 3.33Å; R554-S556 PolarHBondContact O-N 3.01Å; S556-L558 VanDerWaalsContact C-N 3.29Å; S556-L558 PolarHBondContact O-N 3.27Å; S556-G559 PolarHBondContact O-N 3.07Å; S556-Q560 PolarHBondContact O-N 3.21Å; S556-D561 PolarHBondContact O-N 2.88Å; S556-D561 PolarHBondContact OG-O 3.19Å; S556-L563 VanDerWaalsContact CB-CD1 3.49Å
557R79.8Confident79.5Confident183 Ų18361.3 Ų61.369%0.69131%0.311SS*.Hα-helixtrans-60.3-36.5176.9-72.1173.3-174.7-178.63.6113L553 R554L553-R557 WeakPolarHBondContact O-CG 3.45Å; L553-R557 PolarHBondContact O-N 3.37Å; R554-R557 PolarHBondContact O-N 3.32Å
558L73.8Confident79.2Confident151 Ų15161.5 Ų61.579%0.79131%0.312SS*.Hα-helixtrans-73.3-32.2176.5-71.3167.7000113R554 K555 S556R554-L558 WeakPolarHBondContact O-CG 3.44Å; R554-L558 PolarHBondContact O-N 2.97Å; K555-L558 PolarHBondContact O-N 2.68Å; S556-L558 VanDerWaalsContact C-N 3.29Å; S556-L558 PolarHBondContact O-N 3.27Å
559G69.9Low78.8Confident42 Ų4263.8 Ų63.843%0.43333%0.327SS..Hα-helixtrans-87.3-12-18000000115.6K555 S556 D561K555-G559 PolarHBondContact O-N 2.84Å; S556-G559 PolarHBondContact O-N 3.07Å; G559-D561 PolarHBondContact O-N 2.69Å
560Q63.9Low78.3Confident179 Ų17964 Ų6484%0.83633%0.329SS*.THydrogen-bonded Turntrans60.512.6-164.5-56.6-174.2-12.100114.3S556S556-Q560 PolarHBondContact O-N 3.21Å
561D68.5Low78.1Confident80 Ų8064 Ų6443%0.42833%0.329SS..PPolyproline II helixtrans-75.8130.4-178.9-67.7-46.2000111.7L393 S556 G559 L563L393-D561 HydrophobicContact CD2-CB 3.56Å; S556-D561 PolarHBondContact O-N 2.88Å; S556-D561 PolarHBondContact OG-O 3.19Å; G559-D561 PolarHBondContact O-N 2.69Å; D561-L563 PolarHBondContact O-N 3.13Å
562H68.9Low77.9Confident188 Ų18869.8 Ų69.887%0.8735%0.351SS*.PPolyproline II helixtrans-70.7118.6171.8-67.8-56.7000111.1
563L75.3Confident77.7Confident33 Ų3372.5 Ų72.517%0.17337%0.369CS..PPolyproline II helixtrans-72.5142.5168.9-79.2164.6000110.8L393 L400 V552 L553 S556 D561 R565L393-L563 HydrophobicContact CD2-CD2 4.27Å; L400-L563 HydrophobicContact CD1-CD2 4.22Å; V552-L563 HydrophobicContact CG1-CD1 4.39Å; V552-L563 HydrophobicContact CG1-CD2 3.71Å; L553-L563 HydrophobicContact CD2-CD1 3.78Å; L553-L563 HydrophobicContact CG-CD1 4.47Å; S556-L563 VanDerWaalsContact CB-CD1 3.49Å; D561-L563 PolarHBondContact O-N 3.13Å; L563-R565 PolarHBondContact O-N 3.34Å
564P69.4Low77.4Confident102 Ų10272 Ų7266%0.66237%0.366SS*.SBendtrans-71.5-13.6-179.929.5-35.9000113.6V397V397-P564 HydrophobicContact CG1-CG 4.2Å
565R72.7Confident77.7Confident59 Ų5972 Ų7222%0.22337%0.368CS..SBendtrans-148.7145.6-174.9-168.7140157.3-82.76.7112.1D404 E411 W549 L563D404-R565 IonicContact OD1-CZ 2.7Å; D404-R565 IonicContact OD1-NH1 3.27Å; D404-R565 PolarHBondContact OD1-NH1 3.27Å; D404-R565 IonicContact OD1-NH2 3.48Å; D404-R565 PolarHBondContact OD1-NH2 3.43Å; D404-R565 IonicContact OD2-CZ 3.56Å; D404-R565 IonicContact OD2-NH1 2.73Å; D404-R565 PolarHBondContact OD2-NH1 2.87Å; D404-R565 IonicContact OD2-NH2 3.4Å; E411-R565 IonicContact OE1-CZ 3.9Å; E411-R565 IonicContact OE1-NE 3.39Å; E411-R565 PolarHBondContact OE1-NE 3.01Å; E411-R565 IonicContact OE1-NH2 2.71Å; E411-R565 PolarHBondContact OE1-NH2 3.31Å; W549-R565 HydrophobicContact CH2-CG 4.5Å; L563-R565 PolarHBondContact O-N 3.34Å
566V79.8Confident77.8Confident108 Ų10872 Ų7266%0.65537%0.374SS*.PPolyproline II helixtrans-86.3152.3175.5-174.70000109.4
567M85Confident77.9Confident15 Ų1574.4 Ų74.47%0.07438%0.38CS..PPolyproline II helixtrans-59.2129.1178.7-164.5-18074.200111.9W549 L553 L571 R572 E575W549-M567 HydrophobicContact CB-CG 4.46Å; W549-M567 HydrophobicContact CB-SD 4.33Å; W549-M567 HydrophobicContact CD2-CB 4.49Å; W549-M567 HydrophobicContact CD2-CG 3.98Å; W549-M567 HydrophobicContact CE3-CB 3.93Å; W549-M567 HydrophobicContact CE3-CG 3.89Å; W549-M567 HydrophobicContact CG-CG 4.25Å; W549-M567 HydrophobicContact CZ3-CB 4.1Å; W549-M567 HydrophobicContact CZ3-CG 4.46Å; L553-M567 HydrophobicContact CD1-CB 4.34Å; L553-M567 HydrophobicContact CD1-SD 4.08Å; M567-L571 HydrophobicContact CE-CB 4.22Å; M567-L571 HydrophobicContact CG-CB 4.1Å; M567-L571 HydrophobicContact CG-CD1 4.31Å; M567-L571 HydrophobicContact SD-CB 4.16Å; M567-R572 HydrophobicContact CE-CB 4.16Å; M567-R572 HydrophobicContact CE-CG 3.55Å; M567-R572 PolarHBondContact O-NE 2.84Å; M567-R572 PolarHBondContact O-NH2 3.33Å; M567-E575 HydrophobicContact CE-CB 3.57Å; M567-E575 HydrophobicContact CE-CG 3.73Å; M567-E575 HydrophobicContact SD-CB 4.16Å; M567-E575 HydrophobicContact SD-CG 4.02Å
568P84.9Confident78.2Confident5 Ų565.7 Ų65.73%0.03235%0.348CS..PPolyproline II helixtrans-54.6147.1-177.6-2832.5000113.7F403 A410 W549 A570 L571F403-P568 HydrophobicContact CE1-CG 3.75Å; F403-P568 HydrophobicContact CZ-CG 4.37Å; A410-P568 HydrophobicContact CB-CB 4.25Å; A410-P568 WeakPolarHBondContact O-CB 3.47Å; W549-P568 VanDerWaalsContact CZ2-CD 3.44Å; W549-P568 HydrophobicContact CZ2-CG 4.06Å; P568-A570 PolarHBondContact O-N 3.45Å; P568-L571 PolarHBondContact O-N 2.66Å
569P81.3Confident78.8Confident49 Ų4959.4 Ų59.432%0.31832%0.316SS..G310 helixtrans-51.9-42.4178.6-2735.6000113.1L571 R572 P573P569-L571 VanDerWaalsContact C-N 3.26Å; P569-L571 PolarHBondContact O-N 3.14Å; P569-R572 WeakPolarHBondContact O-CB 3.17Å; P569-R572 PolarHBondContact O-N 3.04Å; P569-R572 VanDerWaalsContact O-N 3.13Å; P569-P573 WeakPolarHBondContact O-CD 3.3Å
570A78.7Confident79.6Confident6 Ų664.5 Ų64.55%0.0532%0.322CS..G310 helixtrans-61.9-26.5-176.800000114.8A410 A416 L419 P568A410-A570 HydrophobicContact CB-CB 4.17Å; A410-A570 WeakPolarHBondContact O-CB 3.47Å; A416-A570 HydrophobicContact CB-CB 3.49Å; A416-A570 VanDerWaalsContact CB-CB 3.49Å; L419-A570 HydrophobicContact CD1-CB 3.49Å; L419-A570 VanDerWaalsContact CD1-CB 3.49Å; L419-A570 HydrophobicContact CG-CB 4.03Å; P568-A570 PolarHBondContact O-N 3.45Å
571L83.8Confident80.5Confident4 Ų457 Ų572%0.02129%0.286CS..G310 helixtrans-85.9-20.5178.8-57.5-173.6000113.1F403 L419 V546 W549 M567 P568 P569 I574 E575F403-L571 HydrophobicContact CE2-CD1 4.03Å; F403-L571 HydrophobicContact CE2-CD2 4.4Å; F403-L571 HydrophobicContact CZ-CD1 3.87Å; F403-L571 HydrophobicContact CZ-CD2 4.31Å; F403-L571 HydrophobicContact CZ-CG 4.27Å; L419-L571 HydrophobicContact CD1-CD2 3.96Å; V546-L571 HydrophobicContact CG2-CB 4.3Å; V546-L571 HydrophobicContact CG2-CD2 3.96Å; W549-L571 VanDerWaalsContact CD1-CD1 3.43Å; W549-L571 HydrophobicContact CG-CD1 4.02Å; M567-L571 HydrophobicContact CE-CB 4.22Å; M567-L571 HydrophobicContact CG-CB 4.1Å; M567-L571 HydrophobicContact CG-CD1 4.31Å; M567-L571 HydrophobicContact SD-CB 4.16Å; P568-L571 PolarHBondContact O-N 2.66Å; P569-L571 VanDerWaalsContact C-N 3.26Å; P569-L571 PolarHBondContact O-N 3.14Å; L571-I574 PolarHBondContact O-N 3.28Å; L571-E575 WeakPolarHBondContact O-CB 3.42Å; L571-E575 PolarHBondContact O-N 3.15Å
572R83.4Confident81.3Confident123 Ų12353.5 Ų53.546%0.46427%0.267SS..Hα-helixtrans-60.7-39.5-174.5-64.7178.4-171.9-172.33.6114.4M567 P569 I574 S576M567-R572 HydrophobicContact CE-CB 4.16Å; M567-R572 HydrophobicContact CE-CG 3.55Å; M567-R572 PolarHBondContact O-NE 2.84Å; M567-R572 PolarHBondContact O-NH2 3.33Å; P569-R572 WeakPolarHBondContact O-CB 3.17Å; P569-R572 PolarHBondContact O-N 3.04Å; P569-R572 VanDerWaalsContact O-N 3.13Å; R572-I574 PolarHBondContact O-N 2.77Å; R572-S576 WeakPolarHBondContact O-CB 3.38Å; R572-S576 PolarHBondContact O-N 3.01Å; R572-S576 PolarHBondContact O-OG 3.2Å
573P80.8Confident82Confident59 Ų5950.3 Ų50.338%0.38325%0.253SS..Hα-helixtrans-61.1-44.1176.9-24.835.2000112.6P569 S576 R577P569-P573 WeakPolarHBondContact O-CD 3.3Å; P573-S576 PolarHBondContact O-OG 2.88Å; P573-R577 WeakPolarHBondContact O-CD 3.34Å; P573-R577 VanDerWaalsContact O-CG 3.31Å; P573-R577 WeakPolarHBondContact O-CG 3.13Å; P573-R577 PolarHBondContact O-N 3.14Å
574I80.2Confident82.3Confident17 Ų1749 Ų499%0.08725%0.246CC..Hα-helixtrans-70.8-45.3-179.7-57.7173.2000110L521 T543 V546 L571 R572 S576 R577 I578L521-I574 HydrophobicContact CD2-CD1 4.01Å; T543-I574 HydrophobicContact CG2-CG2 4.43Å; V546-I574 HydrophobicContact CB-CG2 4.5Å; V546-I574 HydrophobicContact CG1-CG2 4.41Å; V546-I574 HydrophobicContact CG2-CB 4.13Å; V546-I574 HydrophobicContact CG2-CG2 3.95Å; L571-I574 PolarHBondContact O-N 3.28Å; R572-I574 PolarHBondContact O-N 2.77Å; I574-S576 PolarHBondContact O-N 3.23Å; I574-R577 PolarHBondContact O-N 3.23Å; I574-I578 HydrophobicContact CG2-CD1 3.9Å; I574-I578 HydrophobicContact CG2-CG1 4.49Å; I574-I578 WeakPolarHBondContact O-CG1 3.48Å; I574-I578 PolarHBondContact O-N 3.21Å
575E87Confident82.8Confident43 Ų4344.1 Ų44.120%0.20122%0.215CC..Hα-helixtrans-56.8-49.9176.8-175.3-82.615000112V546 Q550 M567 L571 R577 I578 S579V546-E575 HydrophobicContact CG1-CB 4Å; Q550-E575 PolarHBondContact NE2-OE1 3.37Å; M567-E575 HydrophobicContact CE-CB 3.57Å; M567-E575 HydrophobicContact CE-CG 3.73Å; M567-E575 HydrophobicContact SD-CB 4.16Å; M567-E575 HydrophobicContact SD-CG 4.02Å; L571-E575 WeakPolarHBondContact O-CB 3.42Å; L571-E575 PolarHBondContact O-N 3.15Å; E575-R577 PolarHBondContact O-N 3.44Å; E575-I578 PolarHBondContact O-N 3.36Å; E575-I578 VanDerWaalsContact O-N 3.08Å; E575-S579 WeakPolarHBondContact O-CB 3.34Å; E575-S579 PolarHBondContact O-N 3.27Å; E575-S579 PolarHBondContact O-OG 2.97Å; E575-S579 WeakPolarHBondContact OE1-CB 3.47Å; E575-S579 PolarHBondContact OE1-OG 3.07Å
576S84.7Confident83.2Confident48 Ų4842.7 Ų42.734%0.33621%0.212SC..Hα-helixtrans-60.9-31.6-178.170.40000112.7R572 P573 I574 R580R572-S576 WeakPolarHBondContact O-CB 3.38Å; R572-S576 PolarHBondContact O-N 3.01Å; R572-S576 PolarHBondContact O-OG 3.2Å; P573-S576 PolarHBondContact O-OG 2.88Å; I574-S576 PolarHBondContact O-N 3.23Å; S576-R580 WeakPolarHBondContact O-CB 3.46Å; S576-R580 PolarHBondContact O-N 3.13Å
577R84.4Confident83.1Confident68 Ų6841.8 Ų41.826%0.25720%0.201SC..Hα-helixtrans-73.8-41.7175.3-68168.5-177.6-176.1-1.9112S519 L520 L521 P522 P573 I574 E575 R581S519-R577 PolarHBondContact O-NH1 3.4Å; S519-R577 VanDerWaalsContact O-NH1 3.1Å; L520-R577 HydrophobicContact CD2-CB 4.17Å; L520-R577 WeakPolarHBondContact O-CD 3.44Å; L520-R577 PolarHBondContact O-NH1 3.16Å; L521-R577 PolarHBondContact O-NH1 3.12Å; P522-R577 VanDerWaalsContact N-NH1 3.17Å; P573-R577 WeakPolarHBondContact O-CD 3.34Å; P573-R577 VanDerWaalsContact O-CG 3.31Å; P573-R577 WeakPolarHBondContact O-CG 3.13Å; P573-R577 PolarHBondContact O-N 3.14Å; I574-R577 PolarHBondContact O-N 3.23Å; E575-R577 PolarHBondContact O-N 3.44Å; R577-R581 WeakPolarHBondContact O-CB 3.34Å; R577-R581 WeakPolarHBondContact O-CD 3.47Å; R577-R581 VanDerWaalsContact O-CG 3.31Å; R577-R581 WeakPolarHBondContact O-CG 3.49Å; R577-R581 PolarHBondContact O-N 3.36Å; R577-R581 VanDerWaalsContact O-N 3.1Å
578I85.4Confident82.4Confident1 Ų141.1 Ų41.11%0.00520%0.198CC..Hα-helixtrans-64-49175.3-70.3174.3000110.1L520 V546 I574 E575 R581 M582 V612 V613 A616 F617L520-I578 HydrophobicContact CD2-CG1 3.88Å; V546-I578 HydrophobicContact CG1-CD1 4.04Å; I574-I578 HydrophobicContact CG2-CD1 3.9Å; I574-I578 HydrophobicContact CG2-CG1 4.49Å; I574-I578 WeakPolarHBondContact O-CG1 3.48Å; I574-I578 PolarHBondContact O-N 3.21Å; E575-I578 PolarHBondContact O-N 3.36Å; E575-I578 VanDerWaalsContact O-N 3.08Å; I578-R581 PolarHBondContact O-N 3.12Å; I578-M582 PolarHBondContact O-N 3.39Å; I578-V612 HydrophobicContact CD1-CG1 4.07Å; I578-V613 HydrophobicContact CG2-CG2 4.38Å; I578-A616 HydrophobicContact CG2-CB 3.91Å; I578-F617 HydrophobicContact CG2-CD2 4.49Å; I578-F617 HydrophobicContact CG2-CE2 3.51Å; I578-F617 HydrophobicContact CG2-CZ 3.7Å
579S87.4Confident81.5Confident18 Ų1841.8 Ų41.813%0.12620%0.202CC..Hα-helixtrans-62.8-41.6178.1-71.30000112.6E575 R581 M582 Q583E575-S579 WeakPolarHBondContact O-CB 3.34Å; E575-S579 PolarHBondContact O-N 3.27Å; E575-S579 PolarHBondContact O-OG 2.97Å; E575-S579 WeakPolarHBondContact OE1-CB 3.47Å; E575-S579 PolarHBondContact OE1-OG 3.07Å; S579-R581 PolarHBondContact O-N 3.42Å; S579-M582 PolarHBondContact O-N 3.34Å; S579-Q583 WeakPolarHBondContact O-CG 3.31Å; S579-Q583 PolarHBondContact O-N 3.19Å
580R85.7Confident80.8Confident149 Ų14943.8 Ų43.856%0.56222%0.217SC*.Hα-helixtrans-62-40.9174.1-173.2-174.4-58169.91.9112.5S576 Q583 A584 L601S576-R580 WeakPolarHBondContact O-CB 3.46Å; S576-R580 PolarHBondContact O-N 3.13Å; R580-Q583 PolarHBondContact O-N 3.49Å; R580-A584 PolarHBondContact O-N 3.43Å; R580-A584 VanDerWaalsContact O-N 3.07Å; R580-L601 HydrophobicContact CG-CD2 4.27Å
581R83.4Confident79.9Confident22 Ų2245.4 Ų45.48%0.08323%0.228CC..Hα-helixtrans-66.8-41.2176.6-75.3163.9172.9-113.64.4111.6E518 R577 I578 S579 A584 L585 L601 V613E518-R581 PolarHBondContact O-NH2 3.4Å; R577-R581 WeakPolarHBondContact O-CB 3.34Å; R577-R581 WeakPolarHBondContact O-CD 3.47Å; R577-R581 VanDerWaalsContact O-CG 3.31Å; R577-R581 WeakPolarHBondContact O-CG 3.49Å; R577-R581 PolarHBondContact O-N 3.36Å; R577-R581 VanDerWaalsContact O-N 3.1Å; I578-R581 PolarHBondContact O-N 3.12Å; S579-R581 PolarHBondContact O-N 3.42Å; R581-A584 PolarHBondContact O-N 3.38Å; R581-L585 WeakPolarHBondContact O-CG 3.43Å; R581-L585 PolarHBondContact O-N 2.85Å; R581-L601 HydrophobicContact CG-CD2 4.01Å; R581-L601 HydrophobicContact CG-CG 4.45Å; R581-V613 HydrophobicContact CB-CG2 4.2Å
582M84.7Confident78.5Confident7 Ų751.3 Ų51.33%0.03427%0.265CS..Hα-helixtrans-63.8-42.9173.9-179.963.1178.200112.4I578 S579 A584 L585 V586 V613 F617 E622 V623I578-M582 PolarHBondContact O-N 3.39Å; S579-M582 PolarHBondContact O-N 3.34Å; M582-A584 VanDerWaalsContact C-N 3.3Å; M582-A584 PolarHBondContact O-N 3.32Å; M582-L585 WeakPolarHBondContact O-CB 3.3Å; M582-L585 PolarHBondContact O-N 3.14Å; M582-L585 VanDerWaalsContact O-N 3.15Å; M582-V586 HydrophobicContact CE-CG2 3.56Å; M582-V586 HydrophobicContact CG-CG2 4.3Å; M582-V586 WeakPolarHBondContact O-CG2 3.22Å; M582-V586 PolarHBondContact O-N 3.09Å; M582-V586 HydrophobicContact SD-CG2 4.03Å; M582-V613 HydrophobicContact CB-CG1 4Å; M582-V613 HydrophobicContact SD-CG1 4.3Å; M582-F617 HydrophobicContact CB-CD2 3.58Å; M582-F617 HydrophobicContact CB-CE2 3.28Å; M582-F617 HydrophobicContact CB-CZ 4.19Å; M582-F617 HydrophobicContact CE-CB 4.33Å; M582-F617 HydrophobicContact CG-CD2 3.45Å; M582-F617 VanDerWaalsContact CG-CD2 3.45Å; M582-F617 HydrophobicContact CG-CE2 3.64Å; M582-F617 HydrophobicContact CG-CG 4.19Å; M582-F617 HydrophobicContact CG-CZ 4.48Å; M582-F617 HydrophobicContact SD-CD2 3.84Å; M582-F617 HydrophobicContact SD-CG 4.48Å; M582-E622 HydrophobicContact CE-CB 4.23Å; M582-V623 HydrophobicContact CE-CG2 3.46Å; M582-V623 VanDerWaalsContact CE-CG2 3.46Å; M582-V623 HydrophobicContact SD-CG2 4.32Å
583Q84.4Confident77.1Confident121 Ų12153.9 Ų53.957%0.56528%0.282SS*.Hα-helixtrans-58.5-42174.4-74.3172-4.800112S579 R580 Q587S579-Q583 WeakPolarHBondContact O-CG 3.31Å; S579-Q583 PolarHBondContact O-N 3.19Å; R580-Q583 PolarHBondContact O-N 3.49Å; Q583-Q587 VanDerWaalsContact O-CB 3.32Å; Q583-Q587 WeakPolarHBondContact O-CB 3.05Å; Q583-Q587 WeakPolarHBondContact O-CG 3.26Å; Q583-Q587 PolarHBondContact O-N 3.16Å
584A81.4Confident75.9Confident4 Ų453.5 Ų53.53%0.03328%0.276CS..Hα-helixtrans-65.5-40.7174.900000112.4R580 R581 M582 Q587 S588 L601 V602R580-A584 PolarHBondContact O-N 3.43Å; R580-A584 VanDerWaalsContact O-N 3.07Å; R581-A584 PolarHBondContact O-N 3.38Å; M582-A584 VanDerWaalsContact C-N 3.3Å; M582-A584 PolarHBondContact O-N 3.32Å; A584-Q587 PolarHBondContact O-N 3.39Å; A584-S588 WeakPolarHBondContact O-CB 3.41Å; A584-S588 PolarHBondContact O-N 2.93Å; A584-S588 PolarHBondContact O-OG 3.49Å; A584-L601 HydrophobicContact CB-CB 4.32Å; A584-L601 HydrophobicContact CB-CD2 3.74Å; A584-V602 HydrophobicContact CB-CG2 3.91Å
585L80.1Confident74.9Confident0 Ų055.6 Ų55.60%029%0.292CS..Hα-helixtrans-60.5-49.2174.8-72.5173.3000111.6R581 M582 S588 V589 V602 L605 L610 V613 L626 W652R581-L585 WeakPolarHBondContact O-CG 3.43Å; R581-L585 PolarHBondContact O-N 2.85Å; M582-L585 WeakPolarHBondContact O-CB 3.3Å; M582-L585 PolarHBondContact O-N 3.14Å; M582-L585 VanDerWaalsContact O-N 3.15Å; L585-S588 PolarHBondContact O-N 3.3Å; L585-S588 PolarHBondContact O-OG 2.89Å; L585-V589 WeakPolarHBondContact O-CB 3.43Å; L585-V589 VanDerWaalsContact O-CG2 3.31Å; L585-V589 WeakPolarHBondContact O-CG2 3.47Å; L585-V589 PolarHBondContact O-N 3.19Å; L585-V589 VanDerWaalsContact O-N 3.16Å; L585-V602 HydrophobicContact CD2-CG1 3.91Å; L585-V602 HydrophobicContact CD2-CG2 4.15Å; L585-L605 HydrophobicContact CD2-CD1 4.34Å; L585-L610 HydrophobicContact CD1-CD1 4.1Å; L585-V613 HydrophobicContact CD1-CG1 3.98Å; L585-L626 HydrophobicContact CB-CD2 4.43Å; L585-L626 HydrophobicContact CD1-CD2 4.22Å; L585-W652 HydrophobicContact CD2-CH2 3.48Å; L585-W652 VanDerWaalsContact CD2-CH2 3.48Å; L585-W652 HydrophobicContact CD2-CZ2 4.18Å; L585-W652 HydrophobicContact CD2-CZ3 3.98Å
586V80.7Confident73.7Confident29 Ų2960.5 Ų60.518%0.17632%0.32CS..Hα-helixtrans-63.7-45177.9176.30000111.2M582 S588 V589 S590 E622M582-V586 HydrophobicContact CE-CG2 3.56Å; M582-V586 HydrophobicContact CG-CG2 4.3Å; M582-V586 WeakPolarHBondContact O-CG2 3.22Å; M582-V586 PolarHBondContact O-N 3.09Å; M582-V586 HydrophobicContact SD-CG2 4.03Å; V586-S588 VanDerWaalsContact C-N 3.32Å; V586-S588 PolarHBondContact O-N 3.38Å; V586-V589 WeakPolarHBondContact O-CB 3.48Å; V586-V589 PolarHBondContact O-N 3.26Å; V586-V589 VanDerWaalsContact O-N 3.09Å; V586-S590 WeakPolarHBondContact O-CB 3.47Å; V586-S590 PolarHBondContact O-N 3.4Å; V586-S590 PolarHBondContact O-OG 3Å; V586-E622 HydrophobicContact CG2-CB 4.4Å; V586-E622 VanDerWaalsContact CG2-OE2 3.3Å; V586-E622 WeakPolarHBondContact CG2-OE2 3.34Å
587Q78Confident72.5Confident90 Ų9062.3 Ų62.342%0.42133%0.332SS..Hα-helixtrans-58.5-42.9174.7-76.4172.94.100112.3Q583 A584 V589 S590 S591 S598Q583-Q587 VanDerWaalsContact O-CB 3.32Å; Q583-Q587 WeakPolarHBondContact O-CB 3.05Å; Q583-Q587 WeakPolarHBondContact O-CG 3.26Å; Q583-Q587 PolarHBondContact O-N 3.16Å; A584-Q587 PolarHBondContact O-N 3.39Å; Q587-V589 PolarHBondContact O-N 3.04Å; Q587-S590 PolarHBondContact O-N 3.48Å; Q587-S591 PolarHBondContact O-N 2.85Å; Q587-S591 VanDerWaalsContact O-N 3.08Å; Q587-S591 PolarHBondContact O-OG 3.24Å; Q587-S598 PolarHBondContact OE1-OG 2.75Å
588S69.9Low71.5Confident1 Ų159.7 Ų59.71%0.00732%0.324CS..Hα-helixtrans-67.5-18.7178.877.80000113.8A584 L585 V586A584-S588 WeakPolarHBondContact O-CB 3.41Å; A584-S588 PolarHBondContact O-N 2.93Å; A584-S588 PolarHBondContact O-OG 3.49Å; L585-S588 PolarHBondContact O-N 3.3Å; L585-S588 PolarHBondContact O-OG 2.89Å; V586-S588 VanDerWaalsContact C-N 3.32Å; V586-S588 PolarHBondContact O-N 3.38Å
589V66.8Low70.5Confident18 Ų1861.3 Ų61.311%0.10933%0.334CS..Hα-helixtrans-93-22.6177.3162.60000112.5L585 V586 Q587 L626 R629L585-V589 WeakPolarHBondContact O-CB 3.43Å; L585-V589 VanDerWaalsContact O-CG2 3.31Å; L585-V589 WeakPolarHBondContact O-CG2 3.47Å; L585-V589 PolarHBondContact O-N 3.19Å; L585-V589 VanDerWaalsContact O-N 3.16Å; V586-V589 WeakPolarHBondContact O-CB 3.48Å; V586-V589 PolarHBondContact O-N 3.26Å; V586-V589 VanDerWaalsContact O-N 3.09Å; Q587-V589 PolarHBondContact O-N 3.04Å; V589-L626 HydrophobicContact CG2-CD1 3.79Å; V589-R629 PolarHBondContact O-NH1 3.32Å; V589-R629 PolarHBondContact O-NH2 3.48Å; V589-R629 VanDerWaalsContact O-NH2 3.11Å
590S66.6Low69.5Low91 Ų9165.1 Ų65.164%0.63635%0.35SS*.Hα-helixtrans-113-17.8-169.5-62.30000116.3V586 Q587V586-S590 WeakPolarHBondContact O-CB 3.47Å; V586-S590 PolarHBondContact O-N 3.4Å; V586-S590 PolarHBondContact O-OG 3Å; Q587-S590 PolarHBondContact O-N 3.48Å
591S58.2Low68.7Low41 Ų4159.3 Ų59.329%0.28733%0.33SS..  trans-115.7136.8-174.762.40000113.8Q587 Q593Q587-S591 PolarHBondContact O-N 2.85Å; Q587-S591 VanDerWaalsContact O-N 3.08Å; Q587-S591 PolarHBondContact O-OG 3.24Å; S591-Q593 PolarHBondContact OG-O 3.33Å
592T54.4Low68.2Low128 Ų12858.4 Ų58.479%0.78533%0.327SS*.SBendtrans-84.6-7.9171.846.80000113.3
593Q54.3Low67.5Low176 Ų17659.4 Ų59.482%0.82233%0.334SS*.SBendtrans-122.8113168-67.1-173.2-3.500107.7S591S591-Q593 PolarHBondContact OG-O 3.33Å
594I56Low67Low52 Ų5255.3 Ų55.327%0.26732%0.315SS..  trans-105.7129.4-176.5-38177.4000109.1V599 L651I594-V599 HydrophobicContact CB-CG2 3.73Å; I594-V599 HydrophobicContact CD1-CG2 4.26Å; I594-V599 HydrophobicContact CG2-CG2 3.44Å; I594-V599 VanDerWaalsContact CG2-CG2 3.44Å; I594-L651 HydrophobicContact CD1-CD1 4.47Å; I594-L651 HydrophobicContact CD1-CD2 4.22Å
595S60.4Low66.7Low61 Ų6155.1 Ų55.143%0.42731%0.313SS..  trans-67136.417051.10000110.6S597 S598 V599S595-S597 PolarHBondContact O-N 3Å; S595-S597 PolarHBondContact OG-OG 2.75Å; S595-S598 PolarHBondContact O-N 3.47Å; S595-S598 PolarHBondContact OG-OG 3.02Å; S595-V599 PolarHBondContact O-N 3.46Å
596N60.2Low66.7Low145 Ų14558 Ų5878%0.77533%0.331SS*.Hα-helixtrans-52.1-31.6-177.9-71.4-11.5000113.4H600N596-H600 WeakPolarHBondContact O-CB 3.41Å; N596-H600 PolarHBondContact O-N 2.9Å
597S60.7Low66.7Low86 Ų8657.8 Ų57.860%0.60133%0.327SS*.Hα-helixtrans-62.6-3917552.80000113.8S595 L601S595-S597 PolarHBondContact O-N 3Å; S595-S597 PolarHBondContact OG-OG 2.75Å; S597-L601 PolarHBondContact O-N 3.1Å
598S63.2Low66.8Low13 Ų1354 Ų549%0.09131%0.31CS..Hα-helixtrans-79.2-38.3-175.4-60.70000111.4Q587 S595 H600 L601 V602Q587-S598 PolarHBondContact OE1-OG 2.75Å; S595-S598 PolarHBondContact O-N 3.47Å; S595-S598 PolarHBondContact OG-OG 3.02Å; S598-H600 VanDerWaalsContact C-N 3.34Å; S598-H600 PolarHBondContact O-N 2.98Å; S598-L601 PolarHBondContact O-N 3.42Å; S598-V602 WeakPolarHBondContact O-CG2 3.47Å; S598-V602 PolarHBondContact O-N 2.84Å
599V63.6Low67.5Low35 Ų3555.7 Ų55.721%0.21232%0.317CS..Hα-helixtrans-57.3-47.9172.7-178.10000110.8I594 S595 L601 V602 S603 L651I594-V599 HydrophobicContact CB-CG2 3.73Å; I594-V599 HydrophobicContact CD1-CG2 4.26Å; I594-V599 HydrophobicContact CG2-CG2 3.44Å; I594-V599 VanDerWaalsContact CG2-CG2 3.44Å; S595-V599 PolarHBondContact O-N 3.46Å; V599-L601 VanDerWaalsContact C-N 3.32Å; V599-L601 PolarHBondContact O-N 2.99Å; V599-V602 PolarHBondContact O-N 3.42Å; V599-S603 PolarHBondContact O-N 3Å; V599-S603 PolarHBondContact O-OG 3.27Å; V599-L651 HydrophobicContact CG1-CD2 4.27Å
600H67Low68.4Low98 Ų9854.9 Ų54.945%0.45431%0.313SS..Hα-helixtrans-64.6-33.4-177.5-175.9-97.8000113.1N596 S598 S603 K604N596-H600 WeakPolarHBondContact O-CB 3.41Å; N596-H600 PolarHBondContact O-N 2.9Å; S598-H600 VanDerWaalsContact C-N 3.34Å; S598-H600 PolarHBondContact O-N 2.98Å; H600-S603 PolarHBondContact O-OG 3.08Å; H600-K604 WeakPolarHBondContact CE1-CE 3.43Å; H600-K604 PolarHBondContact CE1-NZ 3.28Å; H600-K604 VanDerWaalsContact NE2-CE 3.29Å; H600-K604 WeakPolarHBondContact NE2-CE 3.3Å; H600-K604 PolarHBondContact NE2-NZ 3.3Å; H600-K604 WeakPolarHBondContact O-CG 3.44Å
601L69.5Low69.4Low27 Ų2750.7 Ų50.714%0.14128%0.283CS..Hα-helixtrans-71.9-41.4176.4-161.277000111.8R580 R581 A584 S597 S598 V599R580-L601 HydrophobicContact CG-CD2 4.27Å; R581-L601 HydrophobicContact CG-CD2 4.01Å; R581-L601 HydrophobicContact CG-CG 4.45Å; A584-L601 HydrophobicContact CB-CB 4.32Å; A584-L601 HydrophobicContact CB-CD2 3.74Å; S597-L601 PolarHBondContact O-N 3.1Å; S598-L601 PolarHBondContact O-N 3.42Å; V599-L601 VanDerWaalsContact C-N 3.32Å; V599-L601 PolarHBondContact O-N 2.99Å
602V72.7Confident70.8Confident3 Ų348.8 Ų48.82%0.01827%0.27CS..Hα-helixtrans-68.6-43.5-179.1177.50000111.4A584 L585 S598 V599 K604 L605 L651A584-V602 HydrophobicContact CB-CG2 3.91Å; L585-V602 HydrophobicContact CD2-CG1 3.91Å; L585-V602 HydrophobicContact CD2-CG2 4.15Å; S598-V602 WeakPolarHBondContact O-CG2 3.47Å; S598-V602 PolarHBondContact O-N 2.84Å; V599-V602 PolarHBondContact O-N 3.42Å; V602-K604 PolarHBondContact O-N 3.48Å; V602-L605 PolarHBondContact O-N 3.07Å; V602-L651 HydrophobicContact CG1-CB 4.29Å
603S68.9Low72.4Confident28 Ų2842.7 Ų42.720%0.19623%0.232CC..THydrogen-bonded Turntrans-62.9-15.6-179.368.80000114.6V599 H600 R654V599-S603 PolarHBondContact O-N 3Å; V599-S603 PolarHBondContact O-OG 3.27Å; H600-S603 PolarHBondContact O-OG 3.08Å; S603-R654 VanDerWaalsContact O-CD 3.26Å; S603-R654 WeakPolarHBondContact O-CD 3.34Å; S603-R654 WeakPolarHBondContact O-CG 3.37Å
604K73.6Confident74.1Confident35 Ų3534.4 Ų34.415%0.15219%0.194CC..THydrogen-bonded Turntrans-95.6-8.5-179.3-71.6-173.2178-162.40115.5E516 H600 V602E516-K604 IonicContact OE1-NZ 3.87Å; E516-K604 PolarHBondContact OE1-NZ 2.73Å; E516-K604 WeakPolarHBondContact OE2-CD 3.32Å; E516-K604 WeakPolarHBondContact OE2-CE 3.27Å; E516-K604 IonicContact OE2-NZ 2.91Å; E516-K604 PolarHBondContact OE2-NZ 3.4Å; H600-K604 WeakPolarHBondContact CE1-CE 3.43Å; H600-K604 PolarHBondContact CE1-NZ 3.28Å; H600-K604 VanDerWaalsContact NE2-CE 3.29Å; H600-K604 WeakPolarHBondContact NE2-CE 3.3Å; H600-K604 PolarHBondContact NE2-NZ 3.3Å; H600-K604 WeakPolarHBondContact O-CG 3.44Å; V602-K604 PolarHBondContact O-N 3.48Å
605L76.2Confident75.7Confident1 Ų132.2 Ų32.21%0.00518%0.182CC..  trans-64.2145.5-178.5-88.4113.3000113.1L585 V602 Q609 L610 L655L585-L605 HydrophobicContact CD2-CD1 4.34Å; V602-L605 PolarHBondContact O-N 3.07Å; L605-Q609 HydrophobicContact CD2-CB 4.11Å; L605-L610 HydrophobicContact CD2-CB 4.41Å; L605-L655 WeakPolarHBondContact O-CD2 3.48Å
606T79.2Confident77.1Confident61 Ų6129.3 Ų29.337%0.37416%0.162SC..  trans-107.3162.3168.869.90000111.2N608 Q609 L610T606-N608 VanDerWaalsContact C-N 3.33Å; T606-N608 PolarHBondContact O-N 3.08Å; T606-Q609 WeakPolarHBondContact O-CA 3.33Å; T606-Q609 WeakPolarHBondContact O-CB 3.42Å; T606-Q609 PolarHBondContact O-N 2.94Å; T606-Q609 WeakPolarHBondContact OG1-CG 3.49Å; T606-L610 PolarHBondContact O-N 3.35Å
607W81.7Confident78.5Confident23 Ų2322.4 Ų22.49%0.08713%0.125CC..Hα-helixtrans-56.6-43-178.2-81.7102.6000113.4Q609 L610 F611 L630 F634 L655 L676 L680W607-Q609 VanDerWaalsContact C-N 3.31Å; W607-Q609 PolarHBondContact O-N 3.2Å; W607-L610 HydrophobicContact CE3-CD2 4.15Å; W607-L610 HydrophobicContact CZ3-CD2 3.96Å; W607-L610 PolarHBondContact O-N 3.05Å; W607-F611 HydrophobicContact CB-CE2 4.28Å; W607-F611 HydrophobicContact CD2-CE2 4.37Å; W607-F611 HydrophobicContact CD2-CZ 4.38Å; W607-F611 HydrophobicContact CE3-CD2 4.4Å; W607-F611 AromaticContact CE3-CE1 3.89Å; W607-F611 HydrophobicContact CE3-CE1 3.89Å; W607-F611 AromaticContact CE3-CE2 3.56Å; W607-F611 HydrophobicContact CE3-CE2 3.56Å; W607-F611 AromaticContact CE3-CZ 3.26Å; W607-F611 HydrophobicContact CE3-CZ 3.26Å; W607-F611 AromaticContact CZ3-CE1 3.9Å; W607-F611 HydrophobicContact CZ3-CE1 3.9Å; W607-F611 HydrophobicContact CZ3-CE2 4.29Å; W607-F611 AromaticContact CZ3-CZ 3.53Å; W607-F611 HydrophobicContact CZ3-CZ 3.53Å; W607-F611 VanDerWaalsContact O-CD2 3.24Å; W607-F611 WeakPolarHBondContact O-CD2 3.09Å; W607-F611 WeakPolarHBondContact O-CG 3.22Å; W607-F611 PolarHBondContact O-N 2.9Å; W607-L630 HydrophobicContact CH2-CD1 4.07Å; W607-L630 HydrophobicContact CH2-CD2 4.05Å; W607-L630 HydrophobicContact CH2-CG 4.31Å; W607-L630 HydrophobicContact CZ3-CD2 4.01Å; W607-F634 AromaticContact CH2-CE1 3.92Å; W607-F634 HydrophobicContact CH2-CE1 3.92Å; W607-F634 AromaticContact CH2-CZ 3.88Å; W607-F634 HydrophobicContact CH2-CZ 3.88Å; W607-F634 HydrophobicContact CZ2-CE1 4.33Å; W607-F634 HydrophobicContact CZ2-CZ 4.49Å; W607-L655 HydrophobicContact CD2-CD2 4.33Å; W607-L655 VanDerWaalsContact CE2-O 3.31Å; W607-L655 HydrophobicContact CG-CD2 4.05Å; W607-L655 HydrophobicContact CZ2-CB 4.01Å; W607-L655 WeakPolarHBondContact CZ2-O 3.36Å; W607-L655 VanDerWaalsContact N-CD2 3.34Å; W607-L655 PolarHBondContact NE1-O 2.96Å; W607-L676 HydrophobicContact CD2-CD2 4.07Å; W607-L676 HydrophobicContact CE3-CD2 4.22Å; W607-L676 HydrophobicContact CH2-CD2 4.32Å; W607-L676 HydrophobicContact CZ2-CD2 4.21Å; W607-L676 HydrophobicContact CZ3-CD2 4.31Å; W607-L680 HydrophobicContact CB-CD1 3.96Å; W607-L680 HydrophobicContact CB-CD2 3.62Å; W607-L680 HydrophobicContact CB-CG 4.45Å; W607-L680 HydrophobicContact CG-CD1 4.2Å
608N79.9Confident79.8Confident10 Ų1018.4 Ų18.45%0.05310%0.097CC..Hα-helixtrans-58.2-42.2173.9-76-34.4000112.1L539 T606 V612 L680L539-N608 HydrophobicContact CD2-CB 4.24Å; T606-N608 VanDerWaalsContact C-N 3.33Å; T606-N608 PolarHBondContact O-N 3.08Å; N608-V612 VanDerWaalsContact O-CG2 3.31Å; N608-V612 WeakPolarHBondContact O-CG2 3.48Å; N608-V612 PolarHBondContact O-N 2.87Å; N608-V612 VanDerWaalsContact O-N 3.16Å; N608-L680 VanDerWaalsContact OD1-CD2 3.28Å; N608-L680 WeakPolarHBondContact OD1-CD2 3.35Å
609Q83.6Confident80.8Confident37 Ų3720 Ų2017%0.17311%0.106CC..Hα-helixtrans-70.9-38.6179-63.9172.12.100111.6L520 L605 T606 W607 V613L520-Q609 HydrophobicContact CD1-CB 4.02Å; L520-Q609 HydrophobicContact CD1-CG 3.9Å; L520-Q609 HydrophobicContact CG-CG 4.49Å; L605-Q609 HydrophobicContact CD2-CB 4.11Å; T606-Q609 WeakPolarHBondContact O-CA 3.33Å; T606-Q609 WeakPolarHBondContact O-CB 3.42Å; T606-Q609 PolarHBondContact O-N 2.94Å; T606-Q609 WeakPolarHBondContact OG1-CG 3.49Å; W607-Q609 VanDerWaalsContact C-N 3.31Å; W607-Q609 PolarHBondContact O-N 3.2Å; Q609-V613 WeakPolarHBondContact O-CG2 3.38Å; Q609-V613 PolarHBondContact O-N 2.82Å; Q609-V613 VanDerWaalsContact O-N 3.11Å
610L87Confident81.7Confident1 Ų120.1 Ų20.11%0.00511%0.106CC..Hα-helixtrans-63.2-49.3175.1177.663.1000111L585 L605 T606 W607 V612 V613 L614 L630 W652 L655L585-L610 HydrophobicContact CD1-CD1 4.1Å; L605-L610 HydrophobicContact CD2-CB 4.41Å; T606-L610 PolarHBondContact O-N 3.35Å; W607-L610 HydrophobicContact CE3-CD2 4.15Å; W607-L610 HydrophobicContact CZ3-CD2 3.96Å; W607-L610 PolarHBondContact O-N 3.05Å; L610-V612 VanDerWaalsContact C-N 3.31Å; L610-V612 PolarHBondContact O-N 3.39Å; L610-V613 PolarHBondContact O-N 3.11Å; L610-V613 VanDerWaalsContact O-N 3.14Å; L610-L614 HydrophobicContact CD1-CD1 4.08Å; L610-L614 HydrophobicContact CD1-CG 4.03Å; L610-L614 HydrophobicContact CD2-CD1 4.35Å; L610-L614 HydrophobicContact CG-CD1 3.82Å; L610-L614 HydrophobicContact CG-CG 4.21Å; L610-L614 WeakPolarHBondContact O-CB 3.35Å; L610-L614 VanDerWaalsContact O-CG 3.32Å; L610-L614 WeakPolarHBondContact O-CG 3.48Å; L610-L614 PolarHBondContact O-N 2.97Å; L610-L630 HydrophobicContact CD2-CD1 4.38Å; L610-L630 HydrophobicContact CD2-CD2 3.99Å; L610-W652 HydrophobicContact CD1-CZ3 4.46Å; L610-W652 HydrophobicContact CD2-CZ3 4.39Å; L610-L655 HydrophobicContact CB-CD1 4.31Å; L610-L655 HydrophobicContact CD2-CD1 3.59Å; L610-L655 HydrophobicContact CG-CD1 4.49Å
611F87.9Confident82.4Confident4 Ų422 Ų222%0.01812%0.119CC..Hα-helixtrans-64.9-32.8-179.6-66.5-44.2000113.1W607 L614 N615 L676 L680 T683 M684W607-F611 HydrophobicContact CB-CE2 4.28Å; W607-F611 HydrophobicContact CD2-CE2 4.37Å; W607-F611 HydrophobicContact CD2-CZ 4.38Å; W607-F611 HydrophobicContact CE3-CD2 4.4Å; W607-F611 AromaticContact CE3-CE1 3.89Å; W607-F611 HydrophobicContact CE3-CE1 3.89Å; W607-F611 AromaticContact CE3-CE2 3.56Å; W607-F611 HydrophobicContact CE3-CE2 3.56Å; W607-F611 AromaticContact CE3-CZ 3.26Å; W607-F611 HydrophobicContact CE3-CZ 3.26Å; W607-F611 AromaticContact CZ3-CE1 3.9Å; W607-F611 HydrophobicContact CZ3-CE1 3.9Å; W607-F611 HydrophobicContact CZ3-CE2 4.29Å; W607-F611 AromaticContact CZ3-CZ 3.53Å; W607-F611 HydrophobicContact CZ3-CZ 3.53Å; W607-F611 VanDerWaalsContact O-CD2 3.24Å; W607-F611 WeakPolarHBondContact O-CD2 3.09Å; W607-F611 WeakPolarHBondContact O-CG 3.22Å; W607-F611 PolarHBondContact O-N 2.9Å; F611-L614 HydrophobicContact CD1-CD1 4Å; F611-L614 HydrophobicContact CE1-CD1 4.44Å; F611-L614 PolarHBondContact O-N 3.05Å; F611-N615 VanDerWaalsContact O-CB 3.31Å; F611-N615 WeakPolarHBondContact O-CB 3.33Å; F611-N615 PolarHBondContact O-N 3.16Å; F611-N615 PolarHBondContact O-ND2 3.18Å; F611-L676 HydrophobicContact CZ-CD1 4.13Å; F611-L680 HydrophobicContact CD2-CD2 4.43Å; F611-L680 HydrophobicContact CE2-CB 4.13Å; F611-L680 HydrophobicContact CE2-CD2 4.34Å; F611-T683 WeakPolarHBondContact CD2-OG1 3.42Å; F611-M684 HydrophobicContact CB-CG 4.29Å; F611-M684 HydrophobicContact CD1-CE 4.03Å; F611-M684 HydrophobicContact CD1-CG 3.63Å; F611-M684 HydrophobicContact CD1-SD 4.2Å; F611-M684 HydrophobicContact CD2-CG 4.04Å; F611-M684 HydrophobicContact CE1-CE 3.52Å; F611-M684 HydrophobicContact CE1-CG 3.89Å; F611-M684 HydrophobicContact CE1-SD 3.81Å; F611-M684 HydrophobicContact CE2-CG 4.25Å; F611-M684 HydrophobicContact CE2-SD 4.27Å; F611-M684 HydrophobicContact CG-CG 3.73Å; F611-M684 HydrophobicContact CZ-CE 4.05Å; F611-M684 HydrophobicContact CZ-CG 4.18Å; F611-M684 HydrophobicContact CZ-SD 3.83Å
612V86.8Confident83.1Confident1 Ų125.3 Ų25.31%0.00613%0.134CC..Hα-helixtrans-63.9-44.7170.6165.90000111.9L520 L539 T543 I578 N608 L610 N615 A616L520-V612 HydrophobicContact CD1-CG1 4.24Å; L539-V612 HydrophobicContact CD2-CG2 4.01Å; L539-V612 HydrophobicContact CG-CG2 4.04Å; T543-V612 HydrophobicContact CG2-CG1 3.93Å; T543-V612 WeakPolarHBondContact OG1-CG1 3.15Å; I578-V612 HydrophobicContact CD1-CG1 4.07Å; N608-V612 VanDerWaalsContact O-CG2 3.31Å; N608-V612 WeakPolarHBondContact O-CG2 3.48Å; N608-V612 PolarHBondContact O-N 2.87Å; N608-V612 VanDerWaalsContact O-N 3.16Å; L610-V612 VanDerWaalsContact C-N 3.31Å; L610-V612 PolarHBondContact O-N 3.39Å; V612-N615 PolarHBondContact O-N 2.71Å; V612-A616 PolarHBondContact O-N 3.18Å; V612-A616 VanDerWaalsContact O-N 3.14Å
613V87.6Confident83.6Confident0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-64.6-42.7176.1173.80000111I578 R581 M582 L585 Q609 L610 N615 A616 F617I578-V613 HydrophobicContact CG2-CG2 4.38Å; R581-V613 HydrophobicContact CB-CG2 4.2Å; M582-V613 HydrophobicContact CB-CG1 4Å; M582-V613 HydrophobicContact SD-CG1 4.3Å; L585-V613 HydrophobicContact CD1-CG1 3.98Å; Q609-V613 WeakPolarHBondContact O-CG2 3.38Å; Q609-V613 PolarHBondContact O-N 2.82Å; Q609-V613 VanDerWaalsContact O-N 3.11Å; L610-V613 PolarHBondContact O-N 3.11Å; L610-V613 VanDerWaalsContact O-N 3.14Å; V613-N615 PolarHBondContact O-N 3.28Å; V613-A616 PolarHBondContact O-N 2.79Å; V613-F617 HydrophobicContact CG1-CD2 3.94Å; V613-F617 HydrophobicContact CG1-CE2 4.15Å; V613-F617 WeakPolarHBondContact O-CD2 3.47Å; V613-F617 PolarHBondContact O-N 2.87Å
614L90.2Very high84.3Confident2 Ų225.5 Ų25.51%0.0114%0.135CC..Hα-helixtrans-63.9-38.8175.3-68.2173.7000112L610 F611 F617 S618 V623 L626 I627 V688L610-L614 HydrophobicContact CD1-CD1 4.08Å; L610-L614 HydrophobicContact CD1-CG 4.03Å; L610-L614 HydrophobicContact CD2-CD1 4.35Å; L610-L614 HydrophobicContact CG-CD1 3.82Å; L610-L614 HydrophobicContact CG-CG 4.21Å; L610-L614 WeakPolarHBondContact O-CB 3.35Å; L610-L614 VanDerWaalsContact O-CG 3.32Å; L610-L614 WeakPolarHBondContact O-CG 3.48Å; L610-L614 PolarHBondContact O-N 2.97Å; F611-L614 HydrophobicContact CD1-CD1 4Å; F611-L614 HydrophobicContact CE1-CD1 4.44Å; F611-L614 PolarHBondContact O-N 3.05Å; L614-F617 CarbonylContact O-C 3.57Å; L614-F617 PolarHBondContact O-N 2.77Å; L614-S618 VanDerWaalsContact O-CA 3.29Å; L614-S618 WeakPolarHBondContact O-CA 3.47Å; L614-S618 VanDerWaalsContact O-CB 3.27Å; L614-S618 WeakPolarHBondContact O-CB 3.44Å; L614-S618 PolarHBondContact O-N 2.91Å; L614-V623 HydrophobicContact CD2-CG1 3.65Å; L614-L626 HydrophobicContact CD2-CD2 3.81Å; L614-I627 HydrophobicContact CD1-CG1 4.4Å; L614-I627 HydrophobicContact CD2-CD1 4.31Å; L614-I627 HydrophobicContact CD2-CG1 3.99Å; L614-V688 HydrophobicContact CB-CG1 4.47Å; L614-V688 HydrophobicContact CB-CG2 4.4Å
615N90.8Very high84.8Confident5 Ų528.8 Ų28.83%0.02715%0.151CC..Hα-helixtrans-61.3-45.1176.1-77.2-23.4000111.6F611 V612 V613 F617 T683 S685F611-N615 VanDerWaalsContact O-CB 3.31Å; F611-N615 WeakPolarHBondContact O-CB 3.33Å; F611-N615 PolarHBondContact O-N 3.16Å; F611-N615 PolarHBondContact O-ND2 3.18Å; V612-N615 PolarHBondContact O-N 2.71Å; V613-N615 PolarHBondContact O-N 3.28Å; N615-F617 PolarHBondContact O-N 2.68Å; N615-T683 PolarHBondContact ND2-O 3.11Å; N615-S685 VanDerWaalsContact OD1-CB 3.31Å; N615-S685 WeakPolarHBondContact OD1-CB 3.31Å; N615-S685 PolarHBondContact OD1-N 3.41Å; N615-S685 PolarHBondContact OD1-OG 3.29Å
616A89.5Confident85.2Confident0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-64.5-24.2-179.700000113.9C547 Q550 I578 V612 V613C547-A616 HydrophobicContact CB-CB 4.33Å; Q550-A616 HydrophobicContact CB-CB 4.43Å; Q550-A616 WeakPolarHBondContact CB-O 3.49Å; I578-A616 HydrophobicContact CG2-CB 3.91Å; V612-A616 PolarHBondContact O-N 3.18Å; V612-A616 VanDerWaalsContact O-N 3.14Å; V613-A616 PolarHBondContact O-N 2.79Å
617F89.2Confident85.5Confident0 Ų026.3 Ų26.30%014%0.136CC..Hα-helixtrans-124.512.5-171-55.6-46.5000113.8Q550 R554 I578 M582 V613 L614 N615 T619 D620 V623Q550-F617 HydrophobicContact CB-CE1 4.33Å; Q550-F617 HydrophobicContact CG-CE1 3.99Å; R554-F617 VanDerWaalsContact NE-CD1 3.33Å; R554-F617 VanDerWaalsContact NH1-CD1 3.31Å; R554-F617 VanDerWaalsContact NH2-CD1 3.29Å; I578-F617 HydrophobicContact CG2-CD2 4.49Å; I578-F617 HydrophobicContact CG2-CE2 3.51Å; I578-F617 HydrophobicContact CG2-CZ 3.7Å; M582-F617 HydrophobicContact CB-CD2 3.58Å; M582-F617 HydrophobicContact CB-CE2 3.28Å; M582-F617 HydrophobicContact CB-CZ 4.19Å; M582-F617 HydrophobicContact CE-CB 4.33Å; M582-F617 HydrophobicContact CG-CD2 3.45Å; M582-F617 VanDerWaalsContact CG-CD2 3.45Å; M582-F617 HydrophobicContact CG-CE2 3.64Å; M582-F617 HydrophobicContact CG-CG 4.19Å; M582-F617 HydrophobicContact CG-CZ 4.48Å; M582-F617 HydrophobicContact SD-CD2 3.84Å; M582-F617 HydrophobicContact SD-CG 4.48Å; V613-F617 HydrophobicContact CG1-CD2 3.94Å; V613-F617 HydrophobicContact CG1-CE2 4.15Å; V613-F617 WeakPolarHBondContact O-CD2 3.47Å; V613-F617 PolarHBondContact O-N 2.87Å; L614-F617 CarbonylContact O-C 3.57Å; L614-F617 PolarHBondContact O-N 2.77Å; N615-F617 PolarHBondContact O-N 2.68Å; F617-T619 PolarHBondContact O-N 3.09Å; F617-D620 WeakPolarHBondContact O-CB 3.36Å; F617-D620 PolarHBondContact O-N 2.82Å; F617-V623 HydrophobicContact CB-CG2 3.73Å; F617-V623 WeakPolarHBondContact O-CG2 3.49Å
618S87.7Confident85.7Confident2 Ų228.9 Ų28.91%0.01415%0.149CC..THydrogen-bonded Turntrans-60.2-15.9-171.665.20000115.2H551 L614 H687H551-S618 WeakPolarHBondContact NE2-CA 3.32Å; H551-S618 WeakPolarHBondContact NE2-CB 3.38Å; H551-S618 PolarHBondContact NE2-N 3Å; H551-S618 PolarHBondContact NE2-OG 3.02Å; L614-S618 VanDerWaalsContact O-CA 3.29Å; L614-S618 WeakPolarHBondContact O-CA 3.47Å; L614-S618 VanDerWaalsContact O-CB 3.27Å; L614-S618 WeakPolarHBondContact O-CB 3.44Å; L614-S618 PolarHBondContact O-N 2.91Å; S618-H687 WeakPolarHBondContact CB-ND1 3.25Å; S618-H687 PolarHBondContact O-CE1 3.28Å; S618-H687 PolarHBondContact O-ND1 2.97Å; S618-H687 PolarHBondContact OG-ND1 3.43Å
619T83.7Confident85.8Confident46 Ų4633.2 Ų33.228%0.28216%0.164SC..THydrogen-bonded Turntrans-88.4-4.9178.246.80000114.3I388 H551 F617I388-T619 HydrophobicContact CG2-CG2 3.65Å; H551-T619 WeakPolarHBondContact CE1-CB 3.46Å; H551-T619 WeakPolarHBondContact CE1-CG2 3.5Å; H551-T619 PolarHBondContact CE1-OG1 3.36Å; H551-T619 WeakPolarHBondContact ND1-CG2 3.37Å; H551-T619 PolarHBondContact ND1-OG1 3.16Å; H551-T619 VanDerWaalsContact ND1-OG1 3.09Å; H551-T619 WeakPolarHBondContact NE2-CG2 3.48Å; H551-T619 PolarHBondContact NE2-N 3.33Å; H551-T619 PolarHBondContact NE2-OG1 3.3Å; F617-T619 PolarHBondContact O-N 3.09Å
620D83.8Confident85.9Confident38 Ų3832 Ų3220%0.20316%0.159CC..SBendtrans-90.9139.4-179-81.957.3000112.9R554 F617 E622 V623R554-D620 IonicContact CZ-OD1 3.76Å; R554-D620 IonicContact CZ-OD2 3.36Å; R554-D620 IonicContact NH1-OD1 3.71Å; R554-D620 PolarHBondContact NH1-OD1 3.43Å; R554-D620 IonicContact NH1-OD2 2.69Å; R554-D620 PolarHBondContact NH1-OD2 2.79Å; F617-D620 WeakPolarHBondContact O-CB 3.36Å; F617-D620 PolarHBondContact O-N 2.82Å; D620-E622 PolarHBondContact O-N 3.28Å; D620-V623 HydrophobicContact CB-CG2 4.42Å; D620-V623 WeakPolarHBondContact O-CB 3.41Å; D620-V623 PolarHBondContact O-N 2.79Å
621N81.7Confident85.8Confident139 Ų13932.1 Ų32.174%0.74316%0.16SC*.Hα-helixtrans-59.5-29.5176.7-65-27.2000113.2V623 S624 Q625N621-V623 VanDerWaalsContact C-N 3.3Å; N621-V623 PolarHBondContact O-N 3.42Å; N621-S624 WeakPolarHBondContact O-CB 3.2Å; N621-S624 PolarHBondContact O-N 2.72Å; N621-Q625 PolarHBondContact O-N 3.3Å
622E82.4Confident85.6Confident96 Ų9634.7 Ų34.745%0.44917%0.174SC..Hα-helixtrans-64-35.5175.4-61.3-176.7162.200111.9M582 V586 D620 Q625 L626M582-E622 HydrophobicContact CE-CB 4.23Å; V586-E622 HydrophobicContact CG2-CB 4.4Å; V586-E622 VanDerWaalsContact CG2-OE2 3.3Å; V586-E622 WeakPolarHBondContact CG2-OE2 3.34Å; D620-E622 PolarHBondContact O-N 3.28Å; E622-Q625 PolarHBondContact O-N 3.43Å; E622-L626 PolarHBondContact O-N 3Å
623V83.3Confident85.4Confident0 Ų036.6 Ų36.60%018%0.183CC..Hα-helixtrans-70.2-35.3179.21710000111.5M582 L614 F617 D620 N621 Q625 L626 I627M582-V623 HydrophobicContact CE-CG2 3.46Å; M582-V623 VanDerWaalsContact CE-CG2 3.46Å; M582-V623 HydrophobicContact SD-CG2 4.32Å; L614-V623 HydrophobicContact CD2-CG1 3.65Å; F617-V623 HydrophobicContact CB-CG2 3.73Å; F617-V623 WeakPolarHBondContact O-CG2 3.49Å; D620-V623 HydrophobicContact CB-CG2 4.42Å; D620-V623 WeakPolarHBondContact O-CB 3.41Å; D620-V623 PolarHBondContact O-N 2.79Å; N621-V623 VanDerWaalsContact C-N 3.3Å; N621-V623 PolarHBondContact O-N 3.42Å; V623-Q625 VanDerWaalsContact C-N 3.32Å; V623-Q625 PolarHBondContact O-N 2.9Å; V623-L626 PolarHBondContact O-N 3.37Å; V623-I627 HydrophobicContact CG1-CD1 3.62Å; V623-I627 HydrophobicContact CG1-CG1 4.07Å; V623-I627 WeakPolarHBondContact O-CB 3.49Å; V623-I627 WeakPolarHBondContact O-CG1 3.33Å; V623-I627 PolarHBondContact O-N 2.85Å
624S84.1Confident85.2Confident34 Ų3436.8 Ų36.824%0.23818%0.184CC..Hα-helixtrans-57.7-44.2172.1-63.70000111.9N621 Q628 F695N621-S624 WeakPolarHBondContact O-CB 3.2Å; N621-S624 PolarHBondContact O-N 2.72Å; S624-Q628 WeakPolarHBondContact O-CB 3.43Å; S624-Q628 PolarHBondContact O-N 3.11Å; S624-F695 WeakPolarHBondContact O-CZ 3.44Å
625Q84Confident84.9Confident105 Ų10536.9 Ų36.949%0.49118%0.184SC..Hα-helixtrans-67.1-39.7176.7-60.6-177.515.800112.1N621 E622 V623 Q628 R629N621-Q625 PolarHBondContact O-N 3.3Å; E622-Q625 PolarHBondContact O-N 3.43Å; V623-Q625 VanDerWaalsContact C-N 3.32Å; V623-Q625 PolarHBondContact O-N 2.9Å; Q625-Q628 PolarHBondContact O-N 3.11Å; Q625-R629 WeakPolarHBondContact O-CG 3.24Å; Q625-R629 PolarHBondContact O-N 3.3Å
626L85Confident84.1Confident8 Ų838.9 Ų38.94%0.04220%0.197CC..Hα-helixtrans-62.5-46.4176.3-177.269.3000111.8L585 V589 L614 E622 V623 R629 L630 W652L585-L626 HydrophobicContact CB-CD2 4.43Å; L585-L626 HydrophobicContact CD1-CD2 4.22Å; V589-L626 HydrophobicContact CG2-CD1 3.79Å; L614-L626 HydrophobicContact CD2-CD2 3.81Å; E622-L626 PolarHBondContact O-N 3Å; V623-L626 PolarHBondContact O-N 3.37Å; L626-R629 PolarHBondContact O-N 3.09Å; L626-L630 WeakPolarHBondContact O-CB 3.48Å; L626-L630 PolarHBondContact O-N 3.38Å; L626-W652 HydrophobicContact CD1-CH2 4.01Å; L626-W652 HydrophobicContact CD1-CZ2 3.86Å
627I85.7Confident83Confident1 Ų141.3 Ų41.31%0.00521%0.21CC..Hα-helixtrans-66.4-42.2177.9-67.7171.8000110.8L614 V623 L630 I631 L691 V692 F695L614-I627 HydrophobicContact CD1-CG1 4.4Å; L614-I627 HydrophobicContact CD2-CD1 4.31Å; L614-I627 HydrophobicContact CD2-CG1 3.99Å; V623-I627 HydrophobicContact CG1-CD1 3.62Å; V623-I627 HydrophobicContact CG1-CG1 4.07Å; V623-I627 WeakPolarHBondContact O-CB 3.49Å; V623-I627 WeakPolarHBondContact O-CG1 3.33Å; V623-I627 PolarHBondContact O-N 2.85Å; I627-L630 WeakPolarHBondContact O-CB 3.5Å; I627-L630 PolarHBondContact O-N 3.41Å; I627-I631 HydrophobicContact CG2-CD1 3.7Å; I627-I631 HydrophobicContact CG2-CG1 4.47Å; I627-I631 WeakPolarHBondContact O-CG1 3.47Å; I627-I631 PolarHBondContact O-N 3.3Å; I627-L691 HydrophobicContact CD1-CB 4.28Å; I627-L691 HydrophobicContact CD1-CD1 4.26Å; I627-V692 HydrophobicContact CG2-CG2 3.73Å; I627-F695 HydrophobicContact CB-CD2 4.3Å; I627-F695 HydrophobicContact CB-CE2 4.26Å; I627-F695 HydrophobicContact CG2-CD2 3.62Å; I627-F695 HydrophobicContact CG2-CE2 4.05Å
628Q86.6Confident81.7Confident78 Ų7847.1 Ų47.136%0.36424%0.237SC..Hα-helixtrans-59-49.6176.4-173.6178.9-3.400111S624 Q625 L630 I631 D632 F695S624-Q628 WeakPolarHBondContact O-CB 3.43Å; S624-Q628 PolarHBondContact O-N 3.11Å; Q625-Q628 PolarHBondContact O-N 3.11Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; Q628-L630 PolarHBondContact O-N 3.38Å; Q628-I631 PolarHBondContact O-N 2.85Å; Q628-D632 PolarHBondContact O-N 3.05Å; Q628-F695 HydrophobicContact CB-CD1 3.97Å; Q628-F695 HydrophobicContact CB-CE1 3.87Å; Q628-F695 HydrophobicContact CB-CG 4.45Å; Q628-F695 HydrophobicContact CB-CZ 4.25Å; Q628-F695 HydrophobicContact CG-CD1 4.02Å; Q628-F695 HydrophobicContact CG-CE1 4.14Å
629R82Confident80.1Confident100 Ų10052 Ų5238%0.37727%0.266SS..Hα-helixtrans-60.6-41.1175.4-69.9-173.4-166.9-174.114.8112.1V589 Q625 L626 I631 D632 I633V589-R629 PolarHBondContact O-NH1 3.32Å; V589-R629 PolarHBondContact O-NH2 3.48Å; V589-R629 VanDerWaalsContact O-NH2 3.11Å; Q625-R629 WeakPolarHBondContact O-CG 3.24Å; Q625-R629 PolarHBondContact O-N 3.3Å; L626-R629 PolarHBondContact O-N 3.09Å; R629-I631 VanDerWaalsContact C-N 3.3Å; R629-I631 PolarHBondContact O-N 2.76Å; R629-D632 PolarHBondContact O-N 2.7Å; R629-I633 WeakPolarHBondContact O-CD1 3.47Å; R629-I633 WeakPolarHBondContact O-CG1 3.44Å; R629-I633 PolarHBondContact O-N 3.06Å
630L84.1Confident78.6Confident11 Ų1151.9 Ų51.96%0.05827%0.271CS..Hα-helixtrans-58.9-41.1176.8-174.772000112.2W607 L610 L626 I627 Q628 I633 F634 I656W607-L630 HydrophobicContact CH2-CD1 4.07Å; W607-L630 HydrophobicContact CH2-CD2 4.05Å; W607-L630 HydrophobicContact CH2-CG 4.31Å; W607-L630 HydrophobicContact CZ3-CD2 4.01Å; L610-L630 HydrophobicContact CD2-CD1 4.38Å; L610-L630 HydrophobicContact CD2-CD2 3.99Å; L626-L630 WeakPolarHBondContact O-CB 3.48Å; L626-L630 PolarHBondContact O-N 3.38Å; I627-L630 WeakPolarHBondContact O-CB 3.5Å; I627-L630 PolarHBondContact O-N 3.41Å; Q628-L630 VanDerWaalsContact C-N 3.34Å; Q628-L630 PolarHBondContact O-N 3.38Å; L630-I633 PolarHBondContact O-N 2.24Å; L630-F634 HydrophobicContact CG-CE1 4.33Å; L630-F634 VanDerWaalsContact O-CD1 3.22Å; L630-F634 WeakPolarHBondContact O-CD1 3.29Å; L630-I656 HydrophobicContact CD1-CD1 4.23Å
631I85.8Confident77Confident5 Ų559.9 Ų59.93%0.02630%0.304CS..Hα-helixtrans-73.9-37.5178.1-69.7166.4000111I627 Q628 R629 I633 F634 W635 V692 F695 F696I627-I631 HydrophobicContact CG2-CD1 3.7Å; I627-I631 HydrophobicContact CG2-CG1 4.47Å; I627-I631 WeakPolarHBondContact O-CG1 3.47Å; I627-I631 PolarHBondContact O-N 3.3Å; Q628-I631 PolarHBondContact O-N 2.85Å; R629-I631 VanDerWaalsContact C-N 3.3Å; R629-I631 PolarHBondContact O-N 2.76Å; I631-I633 VanDerWaalsContact C-N 3.28Å; I631-I633 PolarHBondContact O-N 3.3Å; I631-F634 WeakPolarHBondContact O-CB 3.11Å; I631-F634 PolarHBondContact O-N 2.72Å; I631-F634 VanDerWaalsContact O-N 3.07Å; I631-W635 HydrophobicContact CG2-CZ3 4.03Å; I631-V692 HydrophobicContact CD1-CB 4.39Å; I631-V692 HydrophobicContact CD1-CG1 4.07Å; I631-V692 HydrophobicContact CD1-CG2 4.47Å; I631-F695 HydrophobicContact CD1-CB 3.41Å; I631-F695 VanDerWaalsContact CD1-CB 3.41Å; I631-F695 HydrophobicContact CD1-CD2 4.41Å; I631-F695 HydrophobicContact CD1-CG 4.31Å; I631-F696 HydrophobicContact CG2-CD1 4.25Å; I631-F696 HydrophobicContact CG2-CE1 4.32Å
632D83.3Confident75.2Confident58 Ų5860.5 Ų60.531%0.3131%0.307SS..Hα-helixtrans-60.2-38.2172.2-78-41.7000112.1Q628 R629 F634 W635 K699Q628-D632 PolarHBondContact O-N 3.05Å; R629-D632 PolarHBondContact O-N 2.7Å; D632-F634 PolarHBondContact O-N 2.95Å; D632-W635 PolarHBondContact O-N 3.33Å; D632-K699 IonicContact OD1-NZ 2.76Å; D632-K699 PolarHBondContact OD1-NZ 3.48Å
633I82.1Confident73.3Confident41 Ų4160.4 Ų60.421%0.2131%0.31CS..Hα-helixtrans-65.7-20.7175.9-60.3158.7000111.9R629 L630 I631 W635 T636 I656 N658R629-I633 WeakPolarHBondContact O-CD1 3.47Å; R629-I633 WeakPolarHBondContact O-CG1 3.44Å; R629-I633 PolarHBondContact O-N 3.06Å; L630-I633 PolarHBondContact O-N 2.24Å; I631-I633 VanDerWaalsContact C-N 3.28Å; I631-I633 PolarHBondContact O-N 3.3Å; I633-W635 PolarHBondContact O-N 2.81Å; I633-W635 VanDerWaalsContact O-N 3.09Å; I633-T636 WeakPolarHBondContact CG2-OG1 3.29Å; I633-T636 PolarHBondContact O-N 3.43Å; I633-T636 VanDerWaalsContact O-N 3.08Å; I633-T636 PolarHBondContact O-OG1 3.44Å; I633-I656 HydrophobicContact CB-CD1 4.01Å; I633-I656 HydrophobicContact CG2-CD1 3.36Å; I633-I656 HydrophobicContact CG2-CG2 4.13Å; I633-N658 PolarHBondContact O-ND2 3.34Å
634F84.9Confident71.3Confident4 Ų470 Ų702%0.01836%0.355CS..THydrogen-bonded Turntrans-63.4-19.6177.5-73.35.7000113.5W607 L630 I631 D632 G671 R672 F696 I714W607-F634 AromaticContact CH2-CE1 3.92Å; W607-F634 HydrophobicContact CH2-CE1 3.92Å; W607-F634 AromaticContact CH2-CZ 3.88Å; W607-F634 HydrophobicContact CH2-CZ 3.88Å; W607-F634 HydrophobicContact CZ2-CE1 4.33Å; W607-F634 HydrophobicContact CZ2-CZ 4.49Å; L630-F634 HydrophobicContact CG-CE1 4.33Å; L630-F634 VanDerWaalsContact O-CD1 3.22Å; L630-F634 WeakPolarHBondContact O-CD1 3.29Å; I631-F634 WeakPolarHBondContact O-CB 3.11Å; I631-F634 PolarHBondContact O-N 2.72Å; I631-F634 VanDerWaalsContact O-N 3.07Å; D632-F634 PolarHBondContact O-N 2.95Å; F634-G671 CarbonylContact O-C 3.59Å; F634-G671 WeakPolarHBondContact O-CA 3.4Å; F634-R672 PolarHBondContact O-N 2.77Å; F634-F696 HydrophobicContact CD2-CE1 4.16Å; F634-F696 AromaticContact CD2-CZ 3.87Å; F634-F696 HydrophobicContact CD2-CZ 3.87Å; F634-F696 AromaticContact CE2-CZ 3.9Å; F634-F696 HydrophobicContact CE2-CZ 3.9Å; F634-I714 HydrophobicContact CB-CD1 4.32Å; F634-I714 HydrophobicContact CB-CG1 4.31Å; F634-I714 WeakPolarHBondContact O-CD1 3.4Å
635W84.3Confident69.5Low3 Ų377.7 Ų77.71%0.01138%0.383CS..THydrogen-bonded Turntrans-102.2-2.4174.8-78.5-95.8000114.1I631 D632 I633 F696 K699 F700 L703 M708 S710 I714I631-W635 HydrophobicContact CG2-CZ3 4.03Å; D632-W635 PolarHBondContact O-N 3.33Å; I633-W635 PolarHBondContact O-N 2.81Å; I633-W635 VanDerWaalsContact O-N 3.09Å; W635-F696 AromaticContact CH2-CD1 3.96Å; W635-F696 HydrophobicContact CH2-CD1 3.96Å; W635-F696 AromaticContact CH2-CE1 3.98Å; W635-F696 HydrophobicContact CH2-CE1 3.98Å; W635-F696 HydrophobicContact CZ3-CD1 4.35Å; W635-F696 HydrophobicContact CZ3-CE1 4.14Å; W635-K699 HydrophobicContact CD2-CG 4.46Å; W635-K699 HydrophobicContact CE3-CG 4.06Å; W635-K699 HydrophobicContact CH2-CB 4.26Å; W635-K699 HydrophobicContact CH2-CG 3.72Å; W635-K699 HydrophobicContact CZ2-CG 4.13Å; W635-K699 HydrophobicContact CZ3-CB 4.41Å; W635-K699 HydrophobicContact CZ3-CG 3.7Å; W635-F700 HydrophobicContact CZ2-CE1 4.44Å; W635-L703 HydrophobicContact CZ2-CD1 3.75Å; W635-M708 HydrophobicContact CB-CE 3.83Å; W635-M708 HydrophobicContact CB-SD 4.41Å; W635-M708 WeakPolarHBondContact O-CE 3.5Å; W635-S710 PolarHBondContact NE1-OG 3.04Å; W635-I714 HydrophobicContact CD2-CD1 3.94Å; W635-I714 HydrophobicContact CE3-CD1 4.35Å; W635-I714 HydrophobicContact CG-CD1 4.29Å; W635-I714 HydrophobicContact CH2-CG2 3.6Å; W635-I714 HydrophobicContact CZ2-CD1 4.22Å; W635-I714 HydrophobicContact CZ2-CG2 3.62Å; W635-I714 HydrophobicContact CZ3-CG2 4.3Å
636T73.9Confident67.9Low47 Ų4777.3 Ų77.329%0.28838%0.384SS..  trans-78.3141.7-174.355.60000113.5I633 N658I633-T636 WeakPolarHBondContact CG2-OG1 3.29Å; I633-T636 PolarHBondContact O-N 3.43Å; I633-T636 VanDerWaalsContact O-N 3.08Å; I633-T636 PolarHBondContact O-OG1 3.44Å; T636-N658 PolarHBondContact O-ND2 3.22Å; T636-N658 PolarHBondContact OG1-ND2 2.95Å
637N66.3Low66.1Low52 Ų5284.2 Ų84.228%0.27842%0.416SS..  trans-94.2119.5174.3-178.618.3000111.4T639 Y670N637-T639 VanDerWaalsContact C-N 3.29Å; N637-T639 VanDerWaalsContact CG-OG1 3.23Å; N637-T639 PolarHBondContact ND2-OG1 3.44Å; N637-T639 PolarHBondContact O-N 3.09Å; N637-T639 PolarHBondContact OD1-N 3.33Å; N637-T639 PolarHBondContact OD1-OG1 3.1Å; N637-Y670 HydrophobicContact CB-CD1 4.27Å; N637-Y670 HydrophobicContact CB-CG 4.45Å
638E60Low64.5Low122 Ų12287.5 Ų87.557%0.5743%0.431SS*.THydrogen-bonded Turntrans-75.3-13.4177.5-68.8174.1-170.900113.5N658E638-N658 HydrophobicContact CG-CB 4.36Å
639T55.2Low62.9Low103 Ų10386.3 Ų86.363%0.63244%0.44SS*.THydrogen-bonded Turntrans-90.7-5.5-170.662.70000115.5N637 K641N637-T639 VanDerWaalsContact C-N 3.29Å; N637-T639 VanDerWaalsContact CG-OG1 3.23Å; N637-T639 PolarHBondContact ND2-OG1 3.44Å; N637-T639 PolarHBondContact O-N 3.09Å; N637-T639 PolarHBondContact OD1-N 3.33Å; N637-T639 PolarHBondContact OD1-OG1 3.1Å; T639-K641 PolarHBondContact O-N 3.39Å
640A51.9Low61.7Low45 Ų4586.2 Ų86.237%0.37245%0.451SS..  trans-83.2100.2-175.600000112.6D642A640-D642 PolarHBondContact O-N 3.47Å; A640-D642 VanDerWaalsContact O-N 3.15Å
641K50.7Low60.4Low206 Ų20685.9 Ų85.990%0.89645%0.449SS*.THydrogen-bonded Turntrans-62.8-14.8179.8-72.4-175.2175.5-179.60115.4T639T639-K641 PolarHBondContact O-N 3.39Å
642D43.8Very low59.5Low151 Ų15186.8 Ų86.881%0.80745%0.452SS*.THydrogen-bonded Turntrans-942.2-170.5-60.7-44.5000115.2A640 Q644A640-D642 PolarHBondContact O-N 3.47Å; A640-D642 VanDerWaalsContact O-N 3.15Å; D642-Q644 PolarHBondContact O-N 3.43Å
643N42.1Very low58.5Low95 Ų9587.6 Ų87.651%0.50846%0.462SS..  trans-90.785.5-176.7-79.5-36.8000113.4K645 L646N643-K645 PolarHBondContact O-N 2.89Å; N643-L646 HydrophobicContact CB-CD1 4.33Å
644Q42.2Very low57.8Low202 Ų20291.5 Ų91.594%0.94447%0.474SS*.THydrogen-bonded Turntrans-63.825.4169.9-65.2-176-14.800115D642D642-Q644 PolarHBondContact O-N 3.43Å
645K46.4Very low57.1Low194 Ų19491.6 Ų91.684%0.84348%0.475SS*.THydrogen-bonded Turntrans-13410.1-174.1-70.8-173176.2178.30114.7N643N643-K645 PolarHBondContact O-N 2.89Å
646L49.5Very low56.5Low97 Ų9791.7 Ų91.751%0.50848%0.476SS..  trans-125.354.1-173.2-93.1153.2000113.3N643 H648 G649N643-L646 HydrophobicContact CB-CD1 4.33Å; L646-H648 PolarHBondContact O-N 3.16Å; L646-G649 PolarHBondContact O-N 3.19Å
647E47.1Very low56.5Low153 Ų15394.8 Ų94.872%0.71549%0.485SS*.G310 helixtrans-57.6-16.8167.1-65-174.5139.500112.9
648H51.6Low57.2Low70 Ų7093 Ų9332%0.32448%0.476SS..G310 helixtrans-85.8-8.6-175.9-58-61000115.7L646 V650 L651L646-H648 PolarHBondContact O-N 3.16Å; H648-V650 PolarHBondContact O-N 2.92Å; H648-L651 HydrophobicContact CB-CD1 4.05Å; H648-L651 WeakPolarHBondContact O-CB 3.47Å; H648-L651 PolarHBondContact O-N 3.18Å; H648-L651 VanDerWaalsContact O-N 3.17Å
649G53.5Low58.3Low53 Ų5387.9 Ų87.955%0.54646%0.455SS..G310 helixtrans-61-30.9-179.600000113.6L646 L651L646-G649 PolarHBondContact O-N 3.19Å; G649-L651 PolarHBondContact O-N 3.37Å
650V56.6Low59.7Low99 Ų9987.9 Ų87.960%0.645%0.447SS*.G310 helixtrans-64.8-27.1179.1-178.70000112.6H648 W652H648-V650 PolarHBondContact O-N 2.92Å; V650-W652 PolarHBondContact O-N 3.48Å
651L57.9Low61.2Low4 Ų486.8 Ų86.82%0.02144%0.435CS..G310 helixtrans-71.1-31.9-170.7-65.1168.6000113.6I594 V599 V602 H648 G649I594-L651 HydrophobicContact CD1-CD1 4.47Å; I594-L651 HydrophobicContact CD1-CD2 4.22Å; V599-L651 HydrophobicContact CG1-CD2 4.27Å; V602-L651 HydrophobicContact CG1-CB 4.29Å; H648-L651 HydrophobicContact CB-CD1 4.05Å; H648-L651 WeakPolarHBondContact O-CB 3.47Å; H648-L651 PolarHBondContact O-N 3.18Å; H648-L651 VanDerWaalsContact O-N 3.17Å; G649-L651 PolarHBondContact O-N 3.37Å
652W66.6Low62.9Low24 Ų2480.2 Ų80.29%0.09141%0.41CS..G310 helixtrans-114.510.2-166.3-62.6107.6000115.1L585 L610 L626 V650 R654 L655 I656L585-W652 HydrophobicContact CD2-CH2 3.48Å; L585-W652 VanDerWaalsContact CD2-CH2 3.48Å; L585-W652 HydrophobicContact CD2-CZ2 4.18Å; L585-W652 HydrophobicContact CD2-CZ3 3.98Å; L610-W652 HydrophobicContact CD1-CZ3 4.46Å; L610-W652 HydrophobicContact CD2-CZ3 4.39Å; L626-W652 HydrophobicContact CD1-CH2 4.01Å; L626-W652 HydrophobicContact CD1-CZ2 3.86Å; V650-W652 PolarHBondContact O-N 3.48Å; W652-R654 PolarHBondContact O-N 3.38Å; W652-L655 HydrophobicContact CE3-CD1 3.66Å; W652-L655 HydrophobicContact CE3-CG 4.41Å; W652-L655 HydrophobicContact CZ3-CD1 3.69Å; W652-L655 PolarHBondContact O-N 3.33Å; W652-I656 HydrophobicContact CB-CD1 4.01Å; W652-I656 HydrophobicContact CB-CG1 4.41Å; W652-I656 PolarHBondContact O-N 2.75Å
653S61.9Low64.7Low75 Ų7573.4 Ų73.452%0.52437%0.373SS..THydrogen-bonded Turntrans-53.8-24.2-170.7530000116.3
654R67Low66.5Low122 Ų12269.4 Ų69.446%0.4635%0.352SS..THydrogen-bonded Turntrans-86.4-21.3174.1-73.7-167.9179.2176.5-2115.2S603 W652S603-R654 VanDerWaalsContact O-CD 3.26Å; S603-R654 WeakPolarHBondContact O-CD 3.34Å; S603-R654 WeakPolarHBondContact O-CG 3.37Å; W652-R654 PolarHBondContact O-N 3.38Å
655L71Confident68.4Low6 Ų661.5 Ų61.53%0.03131%0.314CS..THydrogen-bonded Turntrans-94.5-25.5-176.6-64.4-168.2000113.2L605 W607 L610 W652 R672L605-L655 WeakPolarHBondContact O-CD2 3.48Å; W607-L655 HydrophobicContact CD2-CD2 4.33Å; W607-L655 VanDerWaalsContact CE2-O 3.31Å; W607-L655 HydrophobicContact CG-CD2 4.05Å; W607-L655 HydrophobicContact CZ2-CB 4.01Å; W607-L655 WeakPolarHBondContact CZ2-O 3.36Å; W607-L655 VanDerWaalsContact N-CD2 3.34Å; W607-L655 PolarHBondContact NE1-O 2.96Å; L610-L655 HydrophobicContact CB-CD1 4.31Å; L610-L655 HydrophobicContact CD2-CD1 3.59Å; L610-L655 HydrophobicContact CG-CD1 4.49Å; W652-L655 HydrophobicContact CE3-CD1 3.66Å; W652-L655 HydrophobicContact CE3-CG 4.41Å; W652-L655 HydrophobicContact CZ3-CD1 3.69Å; W652-L655 PolarHBondContact O-N 3.33Å; L655-R672 PolarHBondContact O-NH1 3.24Å; L655-R672 VanDerWaalsContact O-NH1 3.1Å
656I70.7Confident69.9Low5 Ų560.1 Ų60.13%0.02632%0.316CS..  trans-122.6113.8-165.2-58.9-175.6000107.8L630 I633 W652 N658L630-I656 HydrophobicContact CD1-CD1 4.23Å; I633-I656 HydrophobicContact CB-CD1 4.01Å; I633-I656 HydrophobicContact CG2-CD1 3.36Å; I633-I656 HydrophobicContact CG2-CG2 4.13Å; W652-I656 HydrophobicContact CB-CD1 4.01Å; W652-I656 HydrophobicContact CB-CG1 4.41Å; W652-I656 PolarHBondContact O-N 2.75Å; I656-N658 HydrophobicContact CG2-CB 4.25Å; I656-N658 WeakPolarHBondContact CG2-OD1 3.17Å
657K75.7Confident71.5Confident113 Ų11356.8 Ų56.849%0.49130%0.299SS..  trans-109.185.6170.5-68.5-176.5178.9179.30106.1E511 L673E511-K657 IonicContact OE1-NZ 2.84Å; K657-L673 WeakPolarHBondContact O-CB 3.29Å; K657-L673 WeakPolarHBondContact O-CG 3.29Å; K657-L673 PolarHBondContact O-N 3.26Å; K657-L673 VanDerWaalsContact O-N 3.1Å
658N80Confident73.2Confident14 Ų1451.5 Ų51.58%0.07528%0.278CS..EExtended strand (participates in β ladder)trans-92.9158.9177.9-78.76.9000111.3I633 T636 E638 I656 G671 R672I633-N658 PolarHBondContact O-ND2 3.34Å; T636-N658 PolarHBondContact O-ND2 3.22Å; T636-N658 PolarHBondContact OG1-ND2 2.95Å; E638-N658 HydrophobicContact CG-CB 4.36Å; I656-N658 HydrophobicContact CG2-CB 4.25Å; I656-N658 WeakPolarHBondContact CG2-OD1 3.17Å; N658-G671 CarbonylContact C-O 3.27Å; N658-G671 VanDerWaalsContact CA-O 3.26Å; N658-G671 WeakPolarHBondContact CA-O 3.25Å; N658-R672 VanDerWaalsContact OD1-CA 3.23Å; N658-R672 WeakPolarHBondContact OD1-CA 3.13Å; N658-R672 PolarHBondContact OD1-N 2.89Å
659G82.9Confident74.9Confident14 Ų1448.2 Ų48.214%0.14426%0.264CS..EExtended strand (participates in β ladder)trans179-167.6177.200000112.3Y670 G671G659-Y670 WeakPolarHBondContact O-CA 3.41Å; G659-G671 PolarHBondContact N-O 2.98Å; G659-G671 PolarHBondContact O-N 3.24Å
660K84.6Confident76.3Confident104 Ų10450 Ų5045%0.45226%0.255SS..EExtended strand (participates in β ladder)trans-87.1136.5173.4-167.4-179-171.9-114.20109.8D662 S668 A669 Y670K660-D662 WeakPolarHBondContact CE-OD1 3.21Å; K660-D662 IonicContact NZ-OD1 3.5Å; K660-D662 PolarHBondContact NZ-OD1 2.58Å; K660-S668 VanDerWaalsContact CE-OG 3.29Å; K660-S668 WeakPolarHBondContact CE-OG 3.22Å; K660-A669 WeakPolarHBondContact CA-O 3.43Å; K660-Y670 HydrophobicContact CB-CD1 4.07Å; K660-Y670 HydrophobicContact CB-CE1 3.77Å; K660-Y670 HydrophobicContact CD-CE1 4.1Å; K660-Y670 HydrophobicContact CG-CD1 4.3Å; K660-Y670 HydrophobicContact CG-CE1 3.78Å
661V84Confident77.6Confident21 Ų2145.3 Ų45.313%0.12723%0.226CC..EExtended strand (participates in β ladder)trans-119.8120.8168.9-1770000108.4S668 A669 L673 T711 P712 F1263V661-S668 WeakPolarHBondContact O-CA 3.47Å; V661-A669 PolarHBondContact N-O 3.45Å; V661-A669 PolarHBondContact O-N 3.21Å; V661-L673 HydrophobicContact CG2-CD2 3.57Å; V661-T711 HydrophobicContact CB-CG2 4.45Å; V661-T711 HydrophobicContact CG2-CG2 4.06Å; V661-P712 HydrophobicContact CG1-CG 4.33Å; V661-F1263 HydrophobicContact CG1-CD1 4.25Å; V661-F1263 HydrophobicContact CG1-CE1 3.54Å; V661-F1263 HydrophobicContact CG1-CZ 4.13Å
662D85.2Confident78.9Confident68 Ų6846 Ų4636%0.36423%0.228SC..EExtended strand (participates in β ladder)trans-89124.6175.6-56.8-41.8000110.1K660 S668 F1263K660-D662 WeakPolarHBondContact CE-OD1 3.21Å; K660-D662 IonicContact NZ-OD1 3.5Å; K660-D662 PolarHBondContact NZ-OD1 2.58Å; D662-S668 WeakPolarHBondContact OD1-CB 3.34Å; D662-F1263 WeakPolarHBondContact O-CE1 3.39Å
663F83.3Confident79.6Confident8 Ų848.7 Ų48.74%0.03524%0.244CC..PPolyproline II helixtrans-85.2169173.3-79.9-98.7000110.8L667 A669 S710 P712 F1263 P1305 V1306F663-L667 HydrophobicContact CB-CB 3.83Å; F663-L667 PolarHBondContact N-O 2.96Å; F663-A669 HydrophobicContact CD2-CB 4.44Å; F663-A669 HydrophobicContact CE2-CB 3.76Å; F663-S710 WeakPolarHBondContact CZ-O 3.48Å; F663-P712 HydrophobicContact CE1-CG 4.02Å; F663-P712 HydrophobicContact CE2-CG 4.48Å; F663-P712 HydrophobicContact CZ-CG 3.81Å; F663-F1263 HydrophobicContact CB-CZ 4.45Å; F663-F1263 AromaticContact CD1-CE2 3.78Å; F663-F1263 HydrophobicContact CD1-CE2 3.78Å; F663-F1263 AromaticContact CD1-CZ 3.74Å; F663-F1263 HydrophobicContact CD1-CZ 3.74Å; F663-F1263 HydrophobicContact CD2-CZ 4.43Å; F663-F1263 AromaticContact CE1-CE2 3.88Å; F663-F1263 HydrophobicContact CE1-CE2 3.88Å; F663-F1263 HydrophobicContact CE1-CZ 4.06Å; F663-F1263 HydrophobicContact CG-CE2 4.45Å; F663-F1263 AromaticContact CG-CZ 3.94Å; F663-F1263 HydrophobicContact CG-CZ 3.94Å; F663-P1305 HydrophobicContact CD1-CB 4.39Å; F663-P1305 HydrophobicContact CE1-CB 4.2Å; F663-V1306 VanDerWaalsContact CD1-O 3.29Å; F663-V1306 WeakPolarHBondContact CD1-O 3.43Å; F663-V1306 WeakPolarHBondContact CE1-O 3.39Å
664P79.8Confident80.5Confident12 Ų1248.9 Ų48.98%0.07824%0.236CC..SBendtrans-53.6154.1160.9-23.435.3000111.4H1270P664-H1270 HydrophobicContact CB-CB 4.17Å; P664-H1270 HydrophobicContact CG-CB 4.32Å
665Y81.4Confident81.3Confident35 Ų3543.8 Ų43.814%0.13722%0.219CC..THydrogen-bonded Turntrans61.142.5174.9-40.6-75000115.5L667 H1270 P1274 D1275 Q1276 T1279 H1303Y665-L667 PolarHBondContact O-N 3.48Å; Y665-H1270 AromaticContact CE2-ND1 3.54Å; Y665-H1270 AromaticContact CZ-ND1 3.57Å; Y665-H1270 PolarHBondContact OH-ND1 3.14Å; Y665-P1274 HydrophobicContact CE1-CB 4.43Å; Y665-D1275 PolarHBondContact OH-N 3.47Å; Y665-Q1276 HydrophobicContact CD2-CB 4.42Å; Y665-Q1276 HydrophobicContact CD2-CG 4.15Å; Y665-Q1276 HydrophobicContact CE1-CB 4.28Å; Y665-Q1276 HydrophobicContact CE2-CB 3.93Å; Y665-Q1276 HydrophobicContact CE2-CG 3.64Å; Y665-Q1276 PolarHBondContact OH-N 3.06Å; Y665-T1279 HydrophobicContact CE1-CG2 4.12Å; Y665-H1303 AromaticContact CD1-CE1 3.92Å; Y665-H1303 AromaticContact CD1-ND1 4Å; Y665-H1303 HydrophobicContact CG-CB 4.44Å; Y665-H1303 AromaticContact CG-CG 3.95Å; Y665-H1303 AromaticContact CG-ND1 3.68Å
666D77Confident81.9Confident165 Ų16543.7 Ų43.788%0.88222%0.219SC*.THydrogen-bonded Turntrans60.210.6171.5-55.1-41.1000116.2
667L83.4Confident82.2Confident28 Ų2843.7 Ų43.715%0.14722%0.219CC..  trans-73.4147.8168.9-64.7177.8000111.2F663 Y665 Y771 H1303F663-L667 HydrophobicContact CB-CB 3.83Å; F663-L667 PolarHBondContact N-O 2.96Å; Y665-L667 PolarHBondContact O-N 3.48Å; L667-Y771 WeakPolarHBondContact CD2-OH 3.28Å; L667-H1303 HydrophobicContact CD1-CB 3.97Å; L667-H1303 HydrophobicContact CD2-CB 4.48Å; L667-H1303 HydrophobicContact CG-CB 4.14Å
668S84.3Confident82.1Confident41 Ų4139.7 Ų39.729%0.28720%0.202SC..EExtended strand (participates in β ladder)trans-145.9149.2172.561.40000113.2K660 V661 D662K660-S668 VanDerWaalsContact CE-OG 3.29Å; K660-S668 WeakPolarHBondContact CE-OG 3.22Å; V661-S668 WeakPolarHBondContact O-CA 3.47Å; D662-S668 WeakPolarHBondContact OD1-CB 3.34Å
669A85.6Confident81.8Confident2 Ų239.7 Ų39.72%0.01720%0.202CC..EExtended strand (participates in β ladder)trans-125156.9176.200000110.9K660 V661 F663 L709 T711K660-A669 WeakPolarHBondContact CA-O 3.43Å; V661-A669 PolarHBondContact N-O 3.45Å; V661-A669 PolarHBondContact O-N 3.21Å; F663-A669 HydrophobicContact CD2-CB 4.44Å; F663-A669 HydrophobicContact CE2-CB 3.76Å; A669-L709 HydrophobicContact CB-CB 3.85Å; A669-T711 HydrophobicContact CB-CG2 4.01Å
670Y83.5Confident81.7Confident91 Ų9139.4 Ų39.436%0.35720%0.197SC..EExtended strand (participates in β ladder)trans-116.3140.5175.1-65-89000110.2N637 G659 K660N637-Y670 HydrophobicContact CB-CD1 4.27Å; N637-Y670 HydrophobicContact CB-CG 4.45Å; G659-Y670 WeakPolarHBondContact O-CA 3.41Å; K660-Y670 HydrophobicContact CB-CD1 4.07Å; K660-Y670 HydrophobicContact CB-CE1 3.77Å; K660-Y670 HydrophobicContact CD-CE1 4.1Å; K660-Y670 HydrophobicContact CG-CD1 4.3Å; K660-Y670 HydrophobicContact CG-CE1 3.78Å
671G83.9Confident81.6Confident0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans146.5-153.8177.800000112.4F634 N658 G659 L673F634-G671 CarbonylContact O-C 3.59Å; F634-G671 WeakPolarHBondContact O-CA 3.4Å; N658-G671 CarbonylContact C-O 3.27Å; N658-G671 VanDerWaalsContact CA-O 3.26Å; N658-G671 WeakPolarHBondContact CA-O 3.25Å; G659-G671 PolarHBondContact N-O 2.98Å; G659-G671 PolarHBondContact O-N 3.24Å; G671-L673 PolarHBondContact O-N 3.35Å
672R84.7Confident81.3Confident19 Ų1936 Ų367%0.07218%0.179CC..EExtended strand (participates in β ladder)trans-60.5133.5-175.9-167174.2-18085.72.3112.2F634 L655 N658 Q674 T711 A713 I714F634-R672 PolarHBondContact O-N 2.77Å; L655-R672 PolarHBondContact O-NH1 3.24Å; L655-R672 VanDerWaalsContact O-NH1 3.1Å; N658-R672 VanDerWaalsContact OD1-CA 3.23Å; N658-R672 WeakPolarHBondContact OD1-CA 3.13Å; N658-R672 PolarHBondContact OD1-N 2.89Å; R672-Q674 WeakPolarHBondContact CD-O 3.42Å; R672-Q674 WeakPolarHBondContact CG-O 3.44Å; R672-Q674 PolarHBondContact NE-O 3.33Å; R672-T711 PolarHBondContact O-OG1 3.38Å; R672-A713 WeakPolarHBondContact O-CB 3.5Å; R672-I714 HydrophobicContact CB-CG1 4.27Å
673L81.9Confident81.2Confident80 Ų8033 Ų3342%0.41916%0.163SC..SBendtrans-88.9-24-178.7-62.3178.2000114.6K657 V661 G671K657-L673 WeakPolarHBondContact O-CB 3.29Å; K657-L673 WeakPolarHBondContact O-CG 3.29Å; K657-L673 PolarHBondContact O-N 3.26Å; K657-L673 VanDerWaalsContact O-N 3.1Å; V661-L673 HydrophobicContact CG2-CD2 3.57Å; G671-L673 PolarHBondContact O-N 3.35Å
674Q80.9Confident81.4Confident78 Ų7832.7 Ų32.736%0.36416%0.162SC..SBendtrans-130.9129.9-174.6-63.7-173.6-4.600112.1R672 R1260R672-Q674 WeakPolarHBondContact CD-O 3.42Å; R672-Q674 WeakPolarHBondContact CG-O 3.44Å; R672-Q674 PolarHBondContact NE-O 3.33Å; Q674-R1260 VanDerWaalsContact OE1-NH1 3.07Å
675P83.3Confident81.8Confident15 Ų1532.2 Ų32.210%0.09716%0.159CC..PPolyproline II helixtrans-69.3150179.228.8-34.5000111.4S677 A713 E716 T717P675-S677 PolarHBondContact O-N 3.41Å; P675-A713 HydrophobicContact CB-CB 4.44Å; P675-A713 WeakPolarHBondContact CB-O 3.42Å; P675-E716 HydrophobicContact CB-CB 4.1Å; P675-E716 HydrophobicContact CB-CG 3.89Å; P675-E716 HydrophobicContact CG-CG 4.14Å; P675-T717 WeakPolarHBondContact CA-OG1 3.45Å
676L83.1Confident81.9Confident5 Ų531.3 Ų31.33%0.02616%0.157CC..PPolyproline II helixtrans-63.4130173.9-63.5177.7000110.1W607 F611 L680 M681 T717 R720W607-L676 HydrophobicContact CD2-CD2 4.07Å; W607-L676 HydrophobicContact CE3-CD2 4.22Å; W607-L676 HydrophobicContact CH2-CD2 4.32Å; W607-L676 HydrophobicContact CZ2-CD2 4.21Å; W607-L676 HydrophobicContact CZ3-CD2 4.31Å; F611-L676 HydrophobicContact CZ-CD1 4.13Å; L676-L680 HydrophobicContact CD2-CD1 4.27Å; L676-M681 HydrophobicContact CB-CG 4.19Å; L676-M681 HydrophobicContact CB-SD 4.39Å; L676-T717 HydrophobicContact CB-CG2 4.03Å; L676-T717 HydrophobicContact CD1-CG2 3.75Å; L676-T717 HydrophobicContact CG-CG2 3.89Å; L676-T717 PolarHBondContact N-OG1 3.19Å; L676-T717 VanDerWaalsContact N-OG1 3.08Å; L676-R720 PolarHBondContact O-NH1 2.78Å
677S78.3Confident82.4Confident5 Ų525.2 Ų25.24%0.03512%0.123CC..PPolyproline II helixtrans-66.2152.9-178.5620000112.5P675 H679 L680 M681P675-S677 PolarHBondContact O-N 3.41Å; S677-H679 PolarHBondContact O-N 2.83Å; S677-L680 WeakPolarHBondContact O-CB 3.34Å; S677-L680 PolarHBondContact O-N 3.39Å; S677-L680 VanDerWaalsContact O-N 3.08Å; S677-L680 VanDerWaalsContact OG-CG 3.29Å; S677-L680 WeakPolarHBondContact OG-CG 3.48Å; S677-L680 PolarHBondContact OG-N 2.88Å; S677-M681 VanDerWaalsContact O-CG 3.3Å; S677-M681 WeakPolarHBondContact O-CG 3.39Å; S677-M681 PolarHBondContact O-N 2.85Å; S677-M681 VanDerWaalsContact O-N 3.08Å
678H74.1Confident82.7Confident29 Ų2923.9 Ų23.913%0.13412%0.116CC..Hα-helixtrans-57.5-39.3176.5-84.4-66.6000111.7M681 R682 Y1559H678-M681 PolarHBondContact O-N 3.37Å; H678-R682 WeakPolarHBondContact O-CG 2.99Å; H678-R682 PolarHBondContact O-N 3.44Å; H678-Y1559 AromaticContact CE1-CZ 3.92Å; H678-Y1559 PolarHBondContact CE1-OH 2.81Å; H678-Y1559 AromaticContact NE2-CE2 3.77Å; H678-Y1559 AromaticContact NE2-CZ 3.67Å; H678-Y1559 PolarHBondContact NE2-OH 2.75Å
679H73.5Confident82.8Confident14 Ų1422.6 Ų22.67%0.06511%0.105CC..Hα-helixtrans-56.1-49.2172.4-177.255.9000113.5E506 R537 S677 M681 R682 T683E506-H679 WeakPolarHBondContact OE1-CB 3.11Å; E506-H679 PolarHBondContact OE1-N 3.26Å; E506-H679 WeakPolarHBondContact OE2-CB 3.14Å; R537-H679 WeakPolarHBondContact CA-NE2 3.45Å; R537-H679 PolarHBondContact O-CE1 3.15Å; R537-H679 VanDerWaalsContact O-CE1 3.28Å; S677-H679 PolarHBondContact O-N 2.83Å; H679-M681 VanDerWaalsContact C-N 3.29Å; H679-M681 PolarHBondContact O-N 3.03Å; H679-R682 WeakPolarHBondContact O-CB 3.08Å; H679-R682 PolarHBondContact O-N 3.36Å; H679-T683 WeakPolarHBondContact O-CG2 3.35Å; H679-T683 PolarHBondContact O-N 3.16Å
680L79.3Confident82.7Confident7 Ų727.3 Ų27.34%0.03713%0.128CC..Hα-helixtrans-58-41.9176.4-79.6177.9000112W607 N608 F611 L676 S677 R682 T683W607-L680 HydrophobicContact CB-CD1 3.96Å; W607-L680 HydrophobicContact CB-CD2 3.62Å; W607-L680 HydrophobicContact CB-CG 4.45Å; W607-L680 HydrophobicContact CG-CD1 4.2Å; N608-L680 VanDerWaalsContact OD1-CD2 3.28Å; N608-L680 WeakPolarHBondContact OD1-CD2 3.35Å; F611-L680 HydrophobicContact CD2-CD2 4.43Å; F611-L680 HydrophobicContact CE2-CB 4.13Å; F611-L680 HydrophobicContact CE2-CD2 4.34Å; L676-L680 HydrophobicContact CD2-CD1 4.27Å; S677-L680 WeakPolarHBondContact O-CB 3.34Å; S677-L680 PolarHBondContact O-N 3.39Å; S677-L680 VanDerWaalsContact O-N 3.08Å; S677-L680 VanDerWaalsContact OG-CG 3.29Å; S677-L680 WeakPolarHBondContact OG-CG 3.48Å; S677-L680 PolarHBondContact OG-N 2.88Å; L680-R682 VanDerWaalsContact C-N 3.32Å; L680-R682 PolarHBondContact O-N 2.83Å; L680-T683 WeakPolarHBondContact O-CB 3.46Å; L680-T683 PolarHBondContact O-N 3.43Å; L680-T683 VanDerWaalsContact O-N 3.1Å; L680-T683 PolarHBondContact O-OG1 2.93Å
681M82.6Confident82.9Confident6 Ų624.3 Ų24.33%0.0312%0.118CC..Hα-helixtrans-69.6-30.1-178-62.817262.600113.2L676 S677 H678 H679 T683 M684 R689 R720 I721L676-M681 HydrophobicContact CB-CG 4.19Å; L676-M681 HydrophobicContact CB-SD 4.39Å; S677-M681 VanDerWaalsContact O-CG 3.3Å; S677-M681 WeakPolarHBondContact O-CG 3.39Å; S677-M681 PolarHBondContact O-N 2.85Å; S677-M681 VanDerWaalsContact O-N 3.08Å; H678-M681 PolarHBondContact O-N 3.37Å; H679-M681 VanDerWaalsContact C-N 3.29Å; H679-M681 PolarHBondContact O-N 3.03Å; M681-T683 VanDerWaalsContact C-N 3.3Å; M681-M684 WeakPolarHBondContact O-CB 3.38Å; M681-M684 PolarHBondContact O-N 3.41Å; M681-R689 PolarHBondContact O-NE 2.98Å; M681-R689 VanDerWaalsContact O-NE 3.08Å; M681-R720 HydrophobicContact CE-CB 3.28Å; M681-R720 WeakPolarHBondContact CE-O 3.41Å; M681-R720 HydrophobicContact SD-CB 3.42Å; M681-R720 WeakPolarHBondContact SD-CB 3.47Å; M681-R720 HydrophobicContact SD-CG 4.24Å; M681-I721 HydrophobicContact CE-CB 4.12Å; M681-I721 HydrophobicContact CE-CG1 3.32Å; M681-I721 VanDerWaalsContact CE-N 3.3Å
682R77.5Confident83.2Confident49 Ų4924.9 Ų24.919%0.18512%0.121CC..Hα-helixtrans-66.6-28.9170.5-74.8170.7156.5134.2-2.2112.9E336 H678 H679 L680 M684 R689E336-R682 WeakPolarHBondContact OE1-CD 3.31Å; E336-R682 WeakPolarHBondContact OE1-CG 3.24Å; E336-R682 IonicContact OE1-CZ 3.78Å; E336-R682 IonicContact OE1-NE 2.76Å; E336-R682 PolarHBondContact OE1-NE 3.48Å; E336-R682 IonicContact OE1-NH2 3.11Å; E336-R682 IonicContact OE2-CZ 3.78Å; E336-R682 IonicContact OE2-NE 3.62Å; E336-R682 IonicContact OE2-NH2 2.73Å; E336-R682 PolarHBondContact OE2-NH2 3.33Å; H678-R682 WeakPolarHBondContact O-CG 2.99Å; H678-R682 PolarHBondContact O-N 3.44Å; H679-R682 WeakPolarHBondContact O-CB 3.08Å; H679-R682 PolarHBondContact O-N 3.36Å; L680-R682 VanDerWaalsContact C-N 3.32Å; L680-R682 PolarHBondContact O-N 2.83Å; R682-M684 PolarHBondContact O-N 3.25Å; R682-R689 PolarHBondContact O-NH2 3.43Å
683T83.3Confident83.3Confident4 Ų424 Ų243%0.02512%0.118CC..Hα-helixtrans-68.3-22.9174.8760000113.2F611 N615 H679 L680 M681F611-T683 WeakPolarHBondContact CD2-OG1 3.42Å; N615-T683 PolarHBondContact ND2-O 3.11Å; H679-T683 WeakPolarHBondContact O-CG2 3.35Å; H679-T683 PolarHBondContact O-N 3.16Å; L680-T683 WeakPolarHBondContact O-CB 3.46Å; L680-T683 PolarHBondContact O-N 3.43Å; L680-T683 VanDerWaalsContact O-N 3.1Å; L680-T683 PolarHBondContact O-OG1 2.93Å; M681-T683 VanDerWaalsContact C-N 3.3Å
684M87.3Confident83.5Confident2 Ų224.3 Ų24.31%0.0112%0.117CC..SBendtrans-74.2132.8175.3-55.216588.300109.4F611 M681 R682 V688 R689 V692F611-M684 HydrophobicContact CB-CG 4.29Å; F611-M684 HydrophobicContact CD1-CE 4.03Å; F611-M684 HydrophobicContact CD1-CG 3.63Å; F611-M684 HydrophobicContact CD1-SD 4.2Å; F611-M684 HydrophobicContact CD2-CG 4.04Å; F611-M684 HydrophobicContact CE1-CE 3.52Å; F611-M684 HydrophobicContact CE1-CG 3.89Å; F611-M684 HydrophobicContact CE1-SD 3.81Å; F611-M684 HydrophobicContact CE2-CG 4.25Å; F611-M684 HydrophobicContact CE2-SD 4.27Å; F611-M684 HydrophobicContact CG-CG 3.73Å; F611-M684 HydrophobicContact CZ-CE 4.05Å; F611-M684 HydrophobicContact CZ-CG 4.18Å; F611-M684 HydrophobicContact CZ-SD 3.83Å; M681-M684 WeakPolarHBondContact O-CB 3.38Å; M681-M684 PolarHBondContact O-N 3.41Å; R682-M684 PolarHBondContact O-N 3.25Å; M684-V688 HydrophobicContact CB-CB 4.36Å; M684-V688 HydrophobicContact CB-CG1 4.2Å; M684-V688 HydrophobicContact CE-CG1 3.75Å; M684-V688 HydrophobicContact CG-CG1 4.35Å; M684-R689 HydrophobicContact CB-CG 3.79Å; M684-R689 VanDerWaalsContact O-CZ 3.32Å; M684-R689 PolarHBondContact O-NE 3.48Å; M684-R689 VanDerWaalsContact O-NE 3.15Å; M684-R689 PolarHBondContact O-NH2 3.19Å; M684-V692 HydrophobicContact CE-CB 4.21Å; M684-V692 HydrophobicContact CE-CG1 4.44Å; M684-V692 HydrophobicContact CE-CG2 3.67Å
685S88.1Confident84Confident1 Ų121.5 Ų21.51%0.00710%0.104CC..  trans-63.7155.7166.956.60000111.1N382 N615 H687 V688 R689N382-S685 WeakPolarHBondContact OD1-CA 3.32Å; N615-S685 VanDerWaalsContact OD1-CB 3.31Å; N615-S685 WeakPolarHBondContact OD1-CB 3.31Å; N615-S685 PolarHBondContact OD1-N 3.41Å; N615-S685 PolarHBondContact OD1-OG 3.29Å; S685-H687 PolarHBondContact O-N 3.39Å; S685-H687 VanDerWaalsContact O-N 3.17Å; S685-V688 PolarHBondContact O-N 3.47Å; S685-V688 WeakPolarHBondContact OG-CG2 3.45Å; S685-R689 PolarHBondContact O-N 2.91Å
686V84.6Confident84.3Confident16 Ų1620.8 Ų20.810%0.09710%0.099CC..Hα-helixtrans-53.8-38178.6178.50000111.7I339 I343 N382 R689 M690 E726I339-V686 HydrophobicContact CG2-CG2 4.22Å; I343-V686 HydrophobicContact CD1-CB 4.21Å; I343-V686 HydrophobicContact CD1-CG1 4.11Å; I343-V686 HydrophobicContact CD1-CG2 3.88Å; N382-V686 HydrophobicContact CB-CG2 4.38Å; N382-V686 PolarHBondContact OD1-N 3.35Å; N382-V686 VanDerWaalsContact OD1-N 3.08Å; V686-R689 PolarHBondContact O-N 2.9Å; V686-M690 WeakPolarHBondContact O-CB 3.27Å; V686-M690 PolarHBondContact O-N 3.13Å; V686-E726 HydrophobicContact CG1-CB 3.98Å; V686-E726 HydrophobicContact CG1-CG 4.47Å; V686-E726 HydrophobicContact CG2-CG 4.32Å
687H87.1Confident84.5Confident38 Ų3821.5 Ų21.518%0.17610%0.103CC..Hα-helixtrans-62.6-45.3176.2-170.3-135.4000112.8S385 S618 S685 R689 M690 L691S385-H687 PolarHBondContact O-ND1 2.98Å; S618-H687 WeakPolarHBondContact CB-ND1 3.25Å; S618-H687 PolarHBondContact O-CE1 3.28Å; S618-H687 PolarHBondContact O-ND1 2.97Å; S618-H687 PolarHBondContact OG-ND1 3.43Å; S685-H687 PolarHBondContact O-N 3.39Å; S685-H687 VanDerWaalsContact O-N 3.17Å; H687-R689 PolarHBondContact O-N 3.2Å; H687-M690 PolarHBondContact O-N 3.47Å; H687-L691 WeakPolarHBondContact O-CG 3.48Å; H687-L691 PolarHBondContact O-N 3.43Å
688V88.8Confident84.9Confident0 Ų025.3 Ų25.30%012%0.12CC..Hα-helixtrans-66-37.7177174.90000111.5L614 M684 S685 L691 V692L614-V688 HydrophobicContact CB-CG1 4.47Å; L614-V688 HydrophobicContact CB-CG2 4.4Å; M684-V688 HydrophobicContact CB-CB 4.36Å; M684-V688 HydrophobicContact CB-CG1 4.2Å; M684-V688 HydrophobicContact CE-CG1 3.75Å; M684-V688 HydrophobicContact CG-CG1 4.35Å; S685-V688 PolarHBondContact O-N 3.47Å; S685-V688 WeakPolarHBondContact OG-CG2 3.45Å; V688-L691 PolarHBondContact O-N 2.92Å; V688-V692 WeakPolarHBondContact O-CG2 3.5Å; V688-V692 PolarHBondContact O-N 2.91Å
689R87.3Confident85.6Confident14 Ų1426.2 Ų26.25%0.05312%0.123CC..Hα-helixtrans-61.4-44.2173.5-63.1-177.4-158141.311.3111.6M681 R682 M684 S685 V686 H687 V692 L693 I721 E726M681-R689 PolarHBondContact O-NE 2.98Å; M681-R689 VanDerWaalsContact O-NE 3.08Å; R682-R689 PolarHBondContact O-NH2 3.43Å; M684-R689 HydrophobicContact CB-CG 3.79Å; M684-R689 VanDerWaalsContact O-CZ 3.32Å; M684-R689 PolarHBondContact O-NE 3.48Å; M684-R689 VanDerWaalsContact O-NE 3.15Å; M684-R689 PolarHBondContact O-NH2 3.19Å; S685-R689 PolarHBondContact O-N 2.91Å; V686-R689 PolarHBondContact O-N 2.9Å; H687-R689 PolarHBondContact O-N 3.2Å; R689-V692 PolarHBondContact O-N 3.43Å; R689-L693 WeakPolarHBondContact O-CB 3.26Å; R689-L693 PolarHBondContact O-N 3.05Å; R689-I721 HydrophobicContact CB-CG2 4.42Å; R689-E726 IonicContact NH1-OE1 3.58Å; R689-E726 PolarHBondContact NH1-OE1 3.48Å; R689-E726 IonicContact NH1-OE2 3.64Å
690M84.6Confident86.2Confident100 Ų10025.7 Ų25.749%0.49312%0.121SC..Hα-helixtrans-64-42.4178.8-172.3-179.8-179.100112.3V686 H687 L693 H694V686-M690 WeakPolarHBondContact O-CB 3.27Å; V686-M690 PolarHBondContact O-N 3.13Å; H687-M690 PolarHBondContact O-N 3.47Å; M690-L693 PolarHBondContact O-N 2.77Å; M690-H694 WeakPolarHBondContact O-CB 3.4Å; M690-H694 PolarHBondContact O-N 2.73Å
691L87.8Confident86.4Confident29 Ų2928.4 Ų28.415%0.15214%0.14CC..Hα-helixtrans-61.6-49.3174.6-73171.3000111.5I627 H687 V688 L693 H694 F695I627-L691 HydrophobicContact CD1-CB 4.28Å; I627-L691 HydrophobicContact CD1-CD1 4.26Å; H687-L691 WeakPolarHBondContact O-CG 3.48Å; H687-L691 PolarHBondContact O-N 3.43Å; V688-L691 PolarHBondContact O-N 2.92Å; L691-L693 VanDerWaalsContact C-N 3.32Å; L691-L693 PolarHBondContact O-N 3.42Å; L691-H694 WeakPolarHBondContact O-CB 3.14Å; L691-H694 PolarHBondContact O-N 2.93Å; L691-F695 WeakPolarHBondContact O-CD2 3.25Å; L691-F695 PolarHBondContact O-N 2.89Å; L691-F695 VanDerWaalsContact O-N 3.13Å
692V89Confident86.5Confident11 Ų1131.9 Ų31.97%0.06716%0.162CC..Hα-helixtrans-60.6-41.3179.3169.10000111.4I627 I631 M684 V688 R689 F695 F696 I721I627-V692 HydrophobicContact CG2-CG2 3.73Å; I631-V692 HydrophobicContact CD1-CB 4.39Å; I631-V692 HydrophobicContact CD1-CG1 4.07Å; I631-V692 HydrophobicContact CD1-CG2 4.47Å; M684-V692 HydrophobicContact CE-CB 4.21Å; M684-V692 HydrophobicContact CE-CG1 4.44Å; M684-V692 HydrophobicContact CE-CG2 3.67Å; V688-V692 WeakPolarHBondContact O-CG2 3.5Å; V688-V692 PolarHBondContact O-N 2.91Å; R689-V692 PolarHBondContact O-N 3.43Å; V692-F695 PolarHBondContact O-N 3.24Å; V692-F696 HydrophobicContact CG1-CD2 3.76Å; V692-F696 HydrophobicContact CG1-CE2 3.58Å; V692-F696 VanDerWaalsContact O-CD2 3.28Å; V692-F696 WeakPolarHBondContact O-CD2 3.4Å; V692-F696 PolarHBondContact O-N 3.33Å; V692-I721 HydrophobicContact CB-CD1 4.42Å; V692-I721 HydrophobicContact CG1-CD1 3.56Å
693L86.4Confident86.8Confident0 Ų029.9 Ų29.90%016%0.155CC..Hα-helixtrans-66.7-38.4176.7-17065.2000113R689 M690 L691 F695 F696 L697 F718 I721 L722 V727 N731R689-L693 WeakPolarHBondContact O-CB 3.26Å; R689-L693 PolarHBondContact O-N 3.05Å; M690-L693 PolarHBondContact O-N 2.77Å; L691-L693 VanDerWaalsContact C-N 3.32Å; L691-L693 PolarHBondContact O-N 3.42Å; L693-F695 PolarHBondContact O-N 3.41Å; L693-F696 PolarHBondContact O-N 3.3Å; L693-L697 HydrophobicContact CG-CD1 4.45Å; L693-L697 WeakPolarHBondContact O-CG 3.39Å; L693-L697 PolarHBondContact O-N 2.86Å; L693-F718 HydrophobicContact CD1-CD2 3.52Å; L693-F718 HydrophobicContact CD1-CE2 3.46Å; L693-F718 VanDerWaalsContact CD1-CE2 3.46Å; L693-I721 HydrophobicContact CB-CG2 3.93Å; L693-I721 HydrophobicContact CD1-CB 4.41Å; L693-I721 HydrophobicContact CD1-CG2 4.13Å; L693-I721 HydrophobicContact CD2-CG2 4.34Å; L693-I721 HydrophobicContact CG-CG2 4.37Å; L693-L722 HydrophobicContact CD1-CD2 3.99Å; L693-L722 HydrophobicContact CD1-CG 4.11Å; L693-L722 HydrophobicContact CD2-CD2 3.88Å; L693-V727 HydrophobicContact CD2-CG1 3.32Å; L693-N731 HydrophobicContact CD2-CB 3.56Å; L693-N731 VanDerWaalsContact CD2-CG 3.45Å
694H87.5Confident86.6Confident88 Ų8830.1 Ų30.141%0.40716%0.157SC..Hα-helixtrans-58.9-47.4176.1173.353.6000111.5M690 L691 L697 Q698M690-H694 WeakPolarHBondContact O-CB 3.4Å; M690-H694 PolarHBondContact O-N 2.73Å; L691-H694 WeakPolarHBondContact O-CB 3.14Å; L691-H694 PolarHBondContact O-N 2.93Å; H694-L697 PolarHBondContact O-N 3.38Å; H694-Q698 PolarHBondContact O-N 3.19Å
695F90Very high85.9Confident19 Ų1936.2 Ų36.28%0.08319%0.189CC..Hα-helixtrans-68.4-33.2177.1-70.1-60000113S624 I627 Q628 I631 L691 V692 L693 Q698 K699S624-F695 WeakPolarHBondContact O-CZ 3.44Å; I627-F695 HydrophobicContact CB-CD2 4.3Å; I627-F695 HydrophobicContact CB-CE2 4.26Å; I627-F695 HydrophobicContact CG2-CD2 3.62Å; I627-F695 HydrophobicContact CG2-CE2 4.05Å; Q628-F695 HydrophobicContact CB-CD1 3.97Å; Q628-F695 HydrophobicContact CB-CE1 3.87Å; Q628-F695 HydrophobicContact CB-CG 4.45Å; Q628-F695 HydrophobicContact CB-CZ 4.25Å; Q628-F695 HydrophobicContact CG-CD1 4.02Å; Q628-F695 HydrophobicContact CG-CE1 4.14Å; I631-F695 HydrophobicContact CD1-CB 3.41Å; I631-F695 VanDerWaalsContact CD1-CB 3.41Å; I631-F695 HydrophobicContact CD1-CD2 4.41Å; I631-F695 HydrophobicContact CD1-CG 4.31Å; L691-F695 WeakPolarHBondContact O-CD2 3.25Å; L691-F695 PolarHBondContact O-N 2.89Å; L691-F695 VanDerWaalsContact O-N 3.13Å; V692-F695 PolarHBondContact O-N 3.24Å; L693-F695 PolarHBondContact O-N 3.41Å; F695-Q698 PolarHBondContact O-N 3.24Å; F695-K699 WeakPolarHBondContact O-CB 3.17Å; F695-K699 PolarHBondContact O-N 3.3Å
696F90.5Very high85Confident0 Ų038.2 Ų38.20%020%0.203CC..Hα-helixtrans-59.6-49.3169.4-89.3-57.4000112.1I631 F634 W635 V692 L693 Q698 K699 F700 I714 T717 F718 I721I631-F696 HydrophobicContact CG2-CD1 4.25Å; I631-F696 HydrophobicContact CG2-CE1 4.32Å; F634-F696 HydrophobicContact CD2-CE1 4.16Å; F634-F696 AromaticContact CD2-CZ 3.87Å; F634-F696 HydrophobicContact CD2-CZ 3.87Å; F634-F696 AromaticContact CE2-CZ 3.9Å; F634-F696 HydrophobicContact CE2-CZ 3.9Å; W635-F696 AromaticContact CH2-CD1 3.96Å; W635-F696 HydrophobicContact CH2-CD1 3.96Å; W635-F696 AromaticContact CH2-CE1 3.98Å; W635-F696 HydrophobicContact CH2-CE1 3.98Å; W635-F696 HydrophobicContact CZ3-CD1 4.35Å; W635-F696 HydrophobicContact CZ3-CE1 4.14Å; V692-F696 HydrophobicContact CG1-CD2 3.76Å; V692-F696 HydrophobicContact CG1-CE2 3.58Å; V692-F696 VanDerWaalsContact O-CD2 3.28Å; V692-F696 WeakPolarHBondContact O-CD2 3.4Å; V692-F696 PolarHBondContact O-N 3.33Å; L693-F696 PolarHBondContact O-N 3.3Å; F696-Q698 VanDerWaalsContact C-N 3.32Å; F696-Q698 PolarHBondContact O-N 3.21Å; F696-K699 WeakPolarHBondContact O-CB 3.19Å; F696-K699 PolarHBondContact O-N 2.9Å; F696-K699 VanDerWaalsContact O-N 3.14Å; F696-F700 HydrophobicContact CB-CE2 4.36Å; F696-F700 WeakPolarHBondContact O-CD2 3.47Å; F696-F700 PolarHBondContact O-N 3.17Å; F696-I714 HydrophobicContact CE1-CG2 3.92Å; F696-T717 HydrophobicContact CE2-CG2 4.27Å; F696-T717 HydrophobicContact CZ-CG2 4.19Å; F696-F718 HydrophobicContact CB-CD2 3.94Å; F696-F718 HydrophobicContact CB-CE2 4.29Å; F696-F718 HydrophobicContact CG-CD2 4.27Å; F696-I721 HydrophobicContact CD2-CD1 4.16Å; F696-I721 HydrophobicContact CE2-CD1 3.92Å
697L86.7Confident84.5Confident19 Ų1942.1 Ų42.110%0.09922%0.224CC..Hα-helixtrans-63-38.3178.1-69.7172.6000112.1L693 H694 K699 F700 S701 F718 N731 R734 I735L693-L697 HydrophobicContact CG-CD1 4.45Å; L693-L697 WeakPolarHBondContact O-CG 3.39Å; L693-L697 PolarHBondContact O-N 2.86Å; H694-L697 PolarHBondContact O-N 3.38Å; L697-K699 VanDerWaalsContact C-N 3.33Å; L697-K699 PolarHBondContact O-N 3.29Å; L697-F700 PolarHBondContact O-N 3.08Å; L697-S701 PolarHBondContact O-N 2.87Å; L697-F718 HydrophobicContact CD2-CE2 3.85Å; L697-F718 HydrophobicContact CD2-CZ 3.83Å; L697-F718 HydrophobicContact CG-CE2 4.26Å; L697-N731 HydrophobicContact CD1-CB 4.24Å; L697-N731 WeakPolarHBondContact CD1-OD1 3.5Å; L697-R734 HydrophobicContact CD1-CB 4.04Å; L697-I735 HydrophobicContact CD2-CG1 3.87Å
698Q87.2Confident84.2Confident85 Ų8543.8 Ų43.840%0.39723%0.232SC..Hα-helixtrans-62.2-39.2173.3-171.8-179.2700111.9H694 F695 F696 S701H694-Q698 PolarHBondContact O-N 3.19Å; F695-Q698 PolarHBondContact O-N 3.24Å; F696-Q698 VanDerWaalsContact C-N 3.32Å; F696-Q698 PolarHBondContact O-N 3.21Å; Q698-S701 PolarHBondContact O-N 2.91Å; Q698-S701 PolarHBondContact O-OG 3.18Å
699K87.9Confident84Confident48 Ų4844.8 Ų44.821%0.20924%0.238CC..Hα-helixtrans-66.5-43.5175.2-165.768.3168.5-171.50111.5D632 W635 F695 F696 L697 S701 V702 L703D632-K699 IonicContact OD1-NZ 2.76Å; D632-K699 PolarHBondContact OD1-NZ 3.48Å; W635-K699 HydrophobicContact CD2-CG 4.46Å; W635-K699 HydrophobicContact CE3-CG 4.06Å; W635-K699 HydrophobicContact CH2-CB 4.26Å; W635-K699 HydrophobicContact CH2-CG 3.72Å; W635-K699 HydrophobicContact CZ2-CG 4.13Å; W635-K699 HydrophobicContact CZ3-CB 4.41Å; W635-K699 HydrophobicContact CZ3-CG 3.7Å; F695-K699 WeakPolarHBondContact O-CB 3.17Å; F695-K699 PolarHBondContact O-N 3.3Å; F696-K699 WeakPolarHBondContact O-CB 3.19Å; F696-K699 PolarHBondContact O-N 2.9Å; F696-K699 VanDerWaalsContact O-N 3.14Å; L697-K699 VanDerWaalsContact C-N 3.33Å; L697-K699 PolarHBondContact O-N 3.29Å; K699-S701 VanDerWaalsContact C-N 3.29Å; K699-S701 PolarHBondContact O-N 3.37Å; K699-V702 PolarHBondContact O-N 2.88Å; K699-L703 HydrophobicContact CG-CD1 4.38Å; K699-L703 PolarHBondContact O-N 3.01Å
700F87.4Confident84Confident3 Ų344.7 Ų44.71%0.01324%0.239CC..Hα-helixtrans-60.5-32.6175.3-71.8-56.8000113.5W635 F696 L697 V702 L703 F718 L738 L776W635-F700 HydrophobicContact CZ2-CE1 4.44Å; F696-F700 HydrophobicContact CB-CE2 4.36Å; F696-F700 WeakPolarHBondContact O-CD2 3.47Å; F696-F700 PolarHBondContact O-N 3.17Å; L697-F700 PolarHBondContact O-N 3.08Å; F700-V702 VanDerWaalsContact C-N 3.28Å; F700-V702 PolarHBondContact O-N 3.45Å; F700-L703 HydrophobicContact CD1-CD1 3.53Å; F700-L703 HydrophobicContact CE1-CD1 3.98Å; F700-L703 HydrophobicContact CG-CD1 4.4Å; F700-F718 HydrophobicContact CD2-CE2 4.15Å; F700-F718 HydrophobicContact CD2-CZ 4.15Å; F700-F718 HydrophobicContact CE2-CB 4.47Å; F700-F718 AromaticContact CE2-CD1 3.96Å; F700-F718 HydrophobicContact CE2-CD1 3.96Å; F700-F718 AromaticContact CE2-CD2 3.77Å; F700-F718 HydrophobicContact CE2-CD2 3.77Å; F700-F718 AromaticContact CE2-CE1 3.96Å; F700-F718 HydrophobicContact CE2-CE1 3.96Å; F700-F718 AromaticContact CE2-CE2 3.79Å; F700-F718 HydrophobicContact CE2-CE2 3.79Å; F700-F718 AromaticContact CE2-CG 3.84Å; F700-F718 HydrophobicContact CE2-CG 3.84Å; F700-F718 AromaticContact CE2-CZ 3.87Å; F700-F718 HydrophobicContact CE2-CZ 3.87Å; F700-F718 HydrophobicContact CZ-CD1 4.35Å; F700-F718 HydrophobicContact CZ-CG 4.39Å; F700-L738 HydrophobicContact CB-CD2 4.13Å; F700-L776 HydrophobicContact CD1-CD1 3.86Å; F700-L776 WeakPolarHBondContact O-CD2 3.42Å
701S83.9Confident84.1Confident64 Ų6440 Ų4045%0.44822%0.216SC..Hα-helixtrans-71.3-17.9174.6610000114.8L697 Q698 K699L697-S701 PolarHBondContact O-N 2.87Å; Q698-S701 PolarHBondContact O-N 2.91Å; Q698-S701 PolarHBondContact O-OG 3.18Å; K699-S701 VanDerWaalsContact C-N 3.29Å; K699-S701 PolarHBondContact O-N 3.37Å
702V84.8Confident84.1Confident79 Ų7939.4 Ų39.448%0.47921%0.214SC..Hα-helixtrans-101.2-22.5180-178.30000112.1K699 F700 N705K699-V702 PolarHBondContact O-N 2.88Å; F700-V702 VanDerWaalsContact C-N 3.28Å; F700-V702 PolarHBondContact O-N 3.45Å; V702-N705 PolarHBondContact O-N 2.93Å
703L82.1Confident83.9Confident7 Ų739.2 Ų39.24%0.03721%0.213CC..G310 helixtrans-52-36.7-178.5-95.7160.1000116.3W635 K699 F700 N705 S706 M708W635-L703 HydrophobicContact CZ2-CD1 3.75Å; K699-L703 HydrophobicContact CG-CD1 4.38Å; K699-L703 PolarHBondContact O-N 3.01Å; F700-L703 HydrophobicContact CD1-CD1 3.53Å; F700-L703 HydrophobicContact CE1-CD1 3.98Å; F700-L703 HydrophobicContact CG-CD1 4.4Å; L703-N705 PolarHBondContact O-N 3.46Å; L703-N705 VanDerWaalsContact O-N 3.09Å; L703-S706 PolarHBondContact O-N 2.87Å; L703-S706 VanDerWaalsContact O-N 3.11Å; L703-S706 PolarHBondContact O-OG 3.29Å; L703-M708 HydrophobicContact CD2-CB 3.98Å; L703-M708 VanDerWaalsContact CD2-O 3.28Å; L703-M708 WeakPolarHBondContact CD2-O 3.48Å
704P79.1Confident84.1Confident10 Ų1039.2 Ų39.27%0.06521%0.213CC..G310 helixtrans-58-23.9175.4-27.136.6000114.4L742 L776P704-L742 HydrophobicContact CG-CD2 3.84Å; P704-L776 HydrophobicContact CG-CD2 3.7Å
705N73.8Confident84.2Confident129 Ų12935.1 Ų35.169%0.6920%0.195SC*.G310 helixtrans-100.8-5.7-178.5-61.2-29.1000113.4V702 L703V702-N705 PolarHBondContact O-N 2.93Å; L703-N705 PolarHBondContact O-N 3.46Å; L703-N705 VanDerWaalsContact O-N 3.09Å
706S69.2Low84.1Confident44 Ų4434.8 Ų34.831%0.30819%0.193SC..THydrogen-bonded Turntrans-101.82.2-169.777.80000114.8L703 M708L703-S706 PolarHBondContact O-N 2.87Å; L703-S706 VanDerWaalsContact O-N 3.11Å; L703-S706 PolarHBondContact O-OG 3.29Å; S706-M708 VanDerWaalsContact C-N 3.26Å; S706-M708 WeakPolarHBondContact O-CG 3.47Å; S706-M708 PolarHBondContact O-N 2.95Å
707N73.5Confident84Confident98 Ų9834.8 Ų34.852%0.52419%0.193SC..THydrogen-bonded Turntrans52.136.4-177.1-62.6-4.3000114.7V768 F772N707-V768 WeakPolarHBondContact OD1-CG1 3.42Å; N707-F772 VanDerWaalsContact C-CE1 3.46Å; N707-F772 VanDerWaalsContact C-CZ 3.5Å; N707-F772 VanDerWaalsContact CA-CE2 3.47Å; N707-F772 VanDerWaalsContact CA-CZ 3.46Å; N707-F772 HydrophobicContact CB-CD2 4.37Å; N707-F772 HydrophobicContact CB-CE2 3.73Å; N707-F772 HydrophobicContact CB-CZ 3.9Å; N707-F772 WeakPolarHBondContact OD1-CE2 3.13Å
708M81Confident84.1Confident72 Ų7234 Ų3436%0.35519%0.189SC..  trans-126.6136.2-177.4-67.8175.8101.500111.8W635 L703 S706W635-M708 HydrophobicContact CB-CE 3.83Å; W635-M708 HydrophobicContact CB-SD 4.41Å; W635-M708 WeakPolarHBondContact O-CE 3.5Å; L703-M708 HydrophobicContact CD2-CB 3.98Å; L703-M708 VanDerWaalsContact CD2-O 3.28Å; L703-M708 WeakPolarHBondContact CD2-O 3.48Å; S706-M708 VanDerWaalsContact C-N 3.26Å; S706-M708 WeakPolarHBondContact O-CG 3.47Å; S706-M708 PolarHBondContact O-N 2.95Å
709L84Confident84.1Confident22 Ų2230 Ų3012%0.11517%0.171CC..PPolyproline II helixtrans-88.7152.4166.8-63.3177.8000110.1A669 F772 P1305A669-L709 HydrophobicContact CB-CB 3.85Å; L709-F772 HydrophobicContact CD2-CD1 4.25Å; L709-F772 HydrophobicContact CD2-CE1 4.19Å; L709-F772 HydrophobicContact CG-CE1 4.34Å; L709-P1305 HydrophobicContact CD2-CG 4.32Å
710S87.3Confident83.9Confident12 Ų1228.3 Ų28.38%0.08416%0.163CC..PPolyproline II helixtrans-92.3135.3177.4-62.80000110.7W635 F663W635-S710 PolarHBondContact NE1-OG 3.04Å; F663-S710 WeakPolarHBondContact CZ-O 3.48Å
711T87.9Confident83.8Confident0 Ų028.2 Ų28.20%016%0.162CC..PPolyproline II helixtrans-71.4152.4176.774.10000111.2V661 A669 R672 A713 I714 I715V661-T711 HydrophobicContact CB-CG2 4.45Å; V661-T711 HydrophobicContact CG2-CG2 4.06Å; A669-T711 HydrophobicContact CB-CG2 4.01Å; R672-T711 PolarHBondContact O-OG1 3.38Å; T711-A713 PolarHBondContact O-N 3.15Å; T711-A713 VanDerWaalsContact O-N 3.16Å; T711-I714 HydrophobicContact CG2-CD1 4.37Å; T711-I714 WeakPolarHBondContact O-CB 3.38Å; T711-I714 PolarHBondContact O-N 3.07Å; T711-I714 WeakPolarHBondContact OG1-CD1 3.32Å; T711-I714 WeakPolarHBondContact OG1-CG1 3.43Å; T711-I714 PolarHBondContact OG1-N 3.2Å; T711-I715 PolarHBondContact O-N 3.32Å; T711-I715 VanDerWaalsContact O-N 3.16Å
712P86.6Confident83.7Confident18 Ų1825.2 Ų25.212%0.11714%0.141CC..Hα-helixtrans-58.7-30177.9-22.432.6000113.1V661 F663 I715 E716 F1263V661-P712 HydrophobicContact CG1-CG 4.33Å; F663-P712 HydrophobicContact CE1-CG 4.02Å; F663-P712 HydrophobicContact CE2-CG 4.48Å; F663-P712 HydrophobicContact CZ-CG 3.81Å; P712-I715 PolarHBondContact O-N 3.35Å; P712-E716 WeakPolarHBondContact O-CB 3.45Å; P712-E716 PolarHBondContact O-N 3.46Å; P712-F1263 HydrophobicContact CB-CB 4.36Å; P712-F1263 HydrophobicContact CB-CD2 3.79Å; P712-F1263 HydrophobicContact CB-CE2 4.18Å; P712-F1263 HydrophobicContact CB-CG 4Å; P712-F1263 HydrophobicContact CG-CD1 3.96Å; P712-F1263 HydrophobicContact CG-CD2 3.38Å; P712-F1263 HydrophobicContact CG-CE1 3.88Å; P712-F1263 HydrophobicContact CG-CE2 3.28Å; P712-F1263 HydrophobicContact CG-CG 3.71Å; P712-F1263 HydrophobicContact CG-CZ 3.51Å
713A86Confident83.3Confident6 Ų622 Ų225%0.0512%0.123CC..Hα-helixtrans-67.3-34.9175.900000113.2R672 P675 T711 T717R672-A713 WeakPolarHBondContact O-CB 3.5Å; P675-A713 HydrophobicContact CB-CB 4.44Å; P675-A713 WeakPolarHBondContact CB-O 3.42Å; T711-A713 PolarHBondContact O-N 3.15Å; T711-A713 VanDerWaalsContact O-N 3.16Å; A713-T717 WeakPolarHBondContact O-CB 3.49Å; A713-T717 PolarHBondContact O-N 2.67Å; A713-T717 VanDerWaalsContact O-N 3.11Å; A713-T717 PolarHBondContact O-OG1 3.31Å
714I90.1Very high83Confident0 Ų022.4 Ų22.40%013%0.126CC..Hα-helixtrans-68-47.1173-67.8166.1000109.4F634 W635 R672 F696 T711 T717 F718F634-I714 HydrophobicContact CB-CD1 4.32Å; F634-I714 HydrophobicContact CB-CG1 4.31Å; F634-I714 WeakPolarHBondContact O-CD1 3.4Å; W635-I714 HydrophobicContact CD2-CD1 3.94Å; W635-I714 HydrophobicContact CE3-CD1 4.35Å; W635-I714 HydrophobicContact CG-CD1 4.29Å; W635-I714 HydrophobicContact CH2-CG2 3.6Å; W635-I714 HydrophobicContact CZ2-CD1 4.22Å; W635-I714 HydrophobicContact CZ2-CG2 3.62Å; W635-I714 HydrophobicContact CZ3-CG2 4.3Å; R672-I714 HydrophobicContact CB-CG1 4.27Å; F696-I714 HydrophobicContact CE1-CG2 3.92Å; T711-I714 HydrophobicContact CG2-CD1 4.37Å; T711-I714 WeakPolarHBondContact O-CB 3.38Å; T711-I714 PolarHBondContact O-N 3.07Å; T711-I714 WeakPolarHBondContact OG1-CD1 3.32Å; T711-I714 WeakPolarHBondContact OG1-CG1 3.43Å; T711-I714 PolarHBondContact OG1-N 3.2Å; I714-T717 WeakPolarHBondContact O-CB 3.21Å; I714-T717 PolarHBondContact O-N 3.05Å; I714-F718 PolarHBondContact O-N 3.09Å
715I89.6Confident82.6Confident3 Ų324.4 Ų24.42%0.01513%0.132CC..Hα-helixtrans-61.9-48.9-178.9-64163.4000111.1T711 P712 T717 F718 C719 T779 T783 S1307 Y1308T711-I715 PolarHBondContact O-N 3.32Å; T711-I715 VanDerWaalsContact O-N 3.16Å; P712-I715 PolarHBondContact O-N 3.35Å; I715-T717 VanDerWaalsContact C-N 3.31Å; I715-T717 PolarHBondContact O-N 3.23Å; I715-F718 WeakPolarHBondContact O-CB 3.36Å; I715-F718 PolarHBondContact O-N 2.97Å; I715-F718 VanDerWaalsContact O-N 3.16Å; I715-C719 PolarHBondContact O-N 2.93Å; I715-C719 PolarHBondContact O-SG 3.14Å; I715-T779 HydrophobicContact CD1-CG2 3.53Å; I715-T779 HydrophobicContact CG1-CG2 4.09Å; I715-T783 HydrophobicContact CG2-CG2 3.25Å; I715-S1307 WeakPolarHBondContact CD1-OG 3.44Å; I715-Y1308 HydrophobicContact CG2-CE2 3.92Å
716E87.7Confident82.4Confident12 Ų1220 Ų206%0.05611%0.108CC..Hα-helixtrans-65.4-33.3176.4173.361.9179.400111.9P675 P712 C719 R720 R787 S1258 Y1308P675-E716 HydrophobicContact CB-CB 4.1Å; P675-E716 HydrophobicContact CB-CG 3.89Å; P675-E716 HydrophobicContact CG-CG 4.14Å; P712-E716 WeakPolarHBondContact O-CB 3.45Å; P712-E716 PolarHBondContact O-N 3.46Å; E716-C719 PolarHBondContact O-N 2.83Å; E716-R720 HydrophobicContact CG-CG 4.49Å; E716-R720 WeakPolarHBondContact O-CB 3.3Å; E716-R720 WeakPolarHBondContact O-CG 3.34Å; E716-R720 PolarHBondContact O-N 3.37Å; E716-R720 IonicContact OE1-CZ 2.8Å; E716-R720 IonicContact OE1-NE 3.8Å; E716-R720 PolarHBondContact OE1-NE 3.24Å; E716-R720 IonicContact OE1-NH2 3.58Å; E716-R720 PolarHBondContact OE1-NH2 2.81Å; E716-R787 IonicContact OE1-CZ 2.72Å; E716-R787 IonicContact OE1-NE 2.64Å; E716-R787 IonicContact OE1-NH2 2.72Å; E716-R787 PolarHBondContact OE1-NH2 3.34Å; E716-R787 IonicContact OE2-CZ 2.81Å; E716-R787 IonicContact OE2-NE 3.97Å; E716-R787 PolarHBondContact OE2-NE 3.4Å; E716-R787 IonicContact OE2-NH2 3.16Å; E716-R787 PolarHBondContact OE2-NH2 3.02Å; E716-S1258 PolarHBondContact OE1-OG 3.19Å; E716-Y1308 WeakPolarHBondContact CA-OH 3.45Å; E716-Y1308 PolarHBondContact OE2-OH 3.24Å
717T87.9Confident82.3Confident0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-62.3-44171.6-60.70000111.2P675 L676 F696 A713 I714 I715 R720 I721P675-T717 WeakPolarHBondContact CA-OG1 3.45Å; L676-T717 HydrophobicContact CB-CG2 4.03Å; L676-T717 HydrophobicContact CD1-CG2 3.75Å; L676-T717 HydrophobicContact CG-CG2 3.89Å; L676-T717 PolarHBondContact N-OG1 3.19Å; L676-T717 VanDerWaalsContact N-OG1 3.08Å; F696-T717 HydrophobicContact CE2-CG2 4.27Å; F696-T717 HydrophobicContact CZ-CG2 4.19Å; A713-T717 WeakPolarHBondContact O-CB 3.49Å; A713-T717 PolarHBondContact O-N 2.67Å; A713-T717 VanDerWaalsContact O-N 3.11Å; A713-T717 PolarHBondContact O-OG1 3.31Å; I714-T717 WeakPolarHBondContact O-CB 3.21Å; I714-T717 PolarHBondContact O-N 3.05Å; I715-T717 VanDerWaalsContact C-N 3.31Å; I715-T717 PolarHBondContact O-N 3.23Å; T717-R720 PolarHBondContact O-N 2.24Å; T717-I721 WeakPolarHBondContact O-CG1 3.33Å; T717-I721 PolarHBondContact O-N 3.47Å
718F89.2Confident81.9Confident3 Ų313.9 Ų13.91%0.0137%0.072CC..Hα-helixtrans-63.4-47.9175.4171.8-111.6000112.2L693 F696 L697 F700 I714 I715 R720 I721 L722 I735L693-F718 HydrophobicContact CD1-CD2 3.52Å; L693-F718 HydrophobicContact CD1-CE2 3.46Å; L693-F718 VanDerWaalsContact CD1-CE2 3.46Å; F696-F718 HydrophobicContact CB-CD2 3.94Å; F696-F718 HydrophobicContact CB-CE2 4.29Å; F696-F718 HydrophobicContact CG-CD2 4.27Å; L697-F718 HydrophobicContact CD2-CE2 3.85Å; L697-F718 HydrophobicContact CD2-CZ 3.83Å; L697-F718 HydrophobicContact CG-CE2 4.26Å; F700-F718 HydrophobicContact CD2-CE2 4.15Å; F700-F718 HydrophobicContact CD2-CZ 4.15Å; F700-F718 HydrophobicContact CE2-CB 4.47Å; F700-F718 AromaticContact CE2-CD1 3.96Å; F700-F718 HydrophobicContact CE2-CD1 3.96Å; F700-F718 AromaticContact CE2-CD2 3.77Å; F700-F718 HydrophobicContact CE2-CD2 3.77Å; F700-F718 AromaticContact CE2-CE1 3.96Å; F700-F718 HydrophobicContact CE2-CE1 3.96Å; F700-F718 AromaticContact CE2-CE2 3.79Å; F700-F718 HydrophobicContact CE2-CE2 3.79Å; F700-F718 AromaticContact CE2-CG 3.84Å; F700-F718 HydrophobicContact CE2-CG 3.84Å; F700-F718 AromaticContact CE2-CZ 3.87Å; F700-F718 HydrophobicContact CE2-CZ 3.87Å; F700-F718 HydrophobicContact CZ-CD1 4.35Å; F700-F718 HydrophobicContact CZ-CG 4.39Å; I714-F718 PolarHBondContact O-N 3.09Å; I715-F718 WeakPolarHBondContact O-CB 3.36Å; I715-F718 PolarHBondContact O-N 2.97Å; I715-F718 VanDerWaalsContact O-N 3.16Å; F718-R720 VanDerWaalsContact C-N 3.32Å; F718-R720 PolarHBondContact O-N 3.05Å; F718-I721 PolarHBondContact O-N 3.05Å; F718-I721 VanDerWaalsContact O-N 3.07Å; F718-L722 HydrophobicContact CD1-CD1 3.82Å; F718-L722 HydrophobicContact CD2-CD1 4.39Å; F718-L722 HydrophobicContact CE1-CD1 3.47Å; F718-L722 VanDerWaalsContact CE1-CD1 3.47Å; F718-L722 HydrophobicContact CE2-CD1 4.08Å; F718-L722 HydrophobicContact CE2-CG 4.32Å; F718-L722 HydrophobicContact CG-CD1 4.29Å; F718-L722 HydrophobicContact CZ-CD1 3.63Å; F718-L722 HydrophobicContact CZ-CG 4.33Å; F718-L722 PolarHBondContact O-N 2.87Å; F718-I735 HydrophobicContact CE1-CD1 4.09Å; F718-I735 HydrophobicContact CZ-CD1 3.69Å; F718-I735 HydrophobicContact CZ-CG1 4.15Å
719C86.7Confident81.1Confident1 Ų113.1 Ų13.11%0.0077%0.073CC..Hα-helixtrans-58.5-40.6176.6-67.90000112.6I715 E716 I721 L722 A723 R787 L788I715-C719 PolarHBondContact O-N 2.93Å; I715-C719 PolarHBondContact O-SG 3.14Å; E716-C719 PolarHBondContact O-N 2.83Å; C719-I721 VanDerWaalsContact C-N 3.3Å; C719-I721 PolarHBondContact O-N 3.11Å; C719-L722 PolarHBondContact O-N 3.02Å; C719-A723 WeakPolarHBondContact O-CB 3.35Å; C719-A723 PolarHBondContact O-N 3.5Å; C719-R787 HydrophobicContact CB-CG 3.73Å; C719-L788 HydrophobicContact CB-CD2 4.46Å
720R84.2Confident80.4Confident11 Ų1116.7 Ų16.74%0.0429%0.092CC..Hα-helixtrans-66.4-28.4176.3-69.7175-174.3173.35.5113.3L676 M681 E716 T717 F718 S1258L676-R720 PolarHBondContact O-NH1 2.78Å; M681-R720 HydrophobicContact CE-CB 3.28Å; M681-R720 WeakPolarHBondContact CE-O 3.41Å; M681-R720 HydrophobicContact SD-CB 3.42Å; M681-R720 WeakPolarHBondContact SD-CB 3.47Å; M681-R720 HydrophobicContact SD-CG 4.24Å; E716-R720 HydrophobicContact CG-CG 4.49Å; E716-R720 WeakPolarHBondContact O-CB 3.3Å; E716-R720 WeakPolarHBondContact O-CG 3.34Å; E716-R720 PolarHBondContact O-N 3.37Å; E716-R720 IonicContact OE1-CZ 2.8Å; E716-R720 IonicContact OE1-NE 3.8Å; E716-R720 PolarHBondContact OE1-NE 3.24Å; E716-R720 IonicContact OE1-NH2 3.58Å; E716-R720 PolarHBondContact OE1-NH2 2.81Å; T717-R720 PolarHBondContact O-N 2.24Å; F718-R720 VanDerWaalsContact C-N 3.32Å; F718-R720 PolarHBondContact O-N 3.05Å; R720-S1258 PolarHBondContact NH2-O 2.66Å
721I84.6Confident79.9Confident1 Ų116.3 Ų16.31%0.0059%0.089CC..Hα-helixtrans-78.3-40.9176.2-62.1171.1000109.7M681 R689 V692 L693 F696 T717 F718 C719 A723 C724M681-I721 HydrophobicContact CE-CB 4.12Å; M681-I721 HydrophobicContact CE-CG1 3.32Å; M681-I721 VanDerWaalsContact CE-N 3.3Å; R689-I721 HydrophobicContact CB-CG2 4.42Å; V692-I721 HydrophobicContact CB-CD1 4.42Å; V692-I721 HydrophobicContact CG1-CD1 3.56Å; L693-I721 HydrophobicContact CB-CG2 3.93Å; L693-I721 HydrophobicContact CD1-CB 4.41Å; L693-I721 HydrophobicContact CD1-CG2 4.13Å; L693-I721 HydrophobicContact CD2-CG2 4.34Å; L693-I721 HydrophobicContact CG-CG2 4.37Å; F696-I721 HydrophobicContact CD2-CD1 4.16Å; F696-I721 HydrophobicContact CE2-CD1 3.92Å; T717-I721 WeakPolarHBondContact O-CG1 3.33Å; T717-I721 PolarHBondContact O-N 3.47Å; F718-I721 PolarHBondContact O-N 3.05Å; F718-I721 VanDerWaalsContact O-N 3.07Å; C719-I721 VanDerWaalsContact C-N 3.3Å; C719-I721 PolarHBondContact O-N 3.11Å; I721-A723 PolarHBondContact O-N 2.99Å; I721-C724 WeakPolarHBondContact O-CB 3.48Å; I721-C724 PolarHBondContact O-N 3.1Å; I721-C724 VanDerWaalsContact O-N 3.11Å
722L82.8Confident79.5Confident2 Ų216.3 Ų16.31%0.019%0.089CC..Hα-helixtrans-60.8-32.8175.1-73.9170.4000113L693 F718 C719 C724 N731 I735 L788L693-L722 HydrophobicContact CD1-CD2 3.99Å; L693-L722 HydrophobicContact CD1-CG 4.11Å; L693-L722 HydrophobicContact CD2-CD2 3.88Å; F718-L722 HydrophobicContact CD1-CD1 3.82Å; F718-L722 HydrophobicContact CD2-CD1 4.39Å; F718-L722 HydrophobicContact CE1-CD1 3.47Å; F718-L722 VanDerWaalsContact CE1-CD1 3.47Å; F718-L722 HydrophobicContact CE2-CD1 4.08Å; F718-L722 HydrophobicContact CE2-CG 4.32Å; F718-L722 HydrophobicContact CG-CD1 4.29Å; F718-L722 HydrophobicContact CZ-CD1 3.63Å; F718-L722 HydrophobicContact CZ-CG 4.33Å; F718-L722 PolarHBondContact O-N 2.87Å; C719-L722 PolarHBondContact O-N 3.02Å; L722-C724 PolarHBondContact O-N 3.46Å; L722-N731 HydrophobicContact CD2-CB 4.04Å; L722-I735 HydrophobicContact CD1-CD1 3.61Å; L722-I735 HydrophobicContact CD2-CD1 3.93Å; L722-I735 HydrophobicContact CG-CD1 4.44Å; L722-L788 HydrophobicContact CB-CD2 4.34Å; L722-L788 HydrophobicContact CD1-CD1 3.93Å
723A76.3Confident79.2Confident10 Ų1017.6 Ų17.68%0.08310%0.095CC..THydrogen-bonded Turntrans-69.6-2.6175.800000114.4C719 I721 I791C719-A723 WeakPolarHBondContact O-CB 3.35Å; C719-A723 PolarHBondContact O-N 3.5Å; I721-A723 PolarHBondContact O-N 2.99Å; A723-I791 HydrophobicContact CB-CG2 4.02Å
724C74.9Confident79Confident17 Ų1722.7 Ų22.712%0.11511%0.113CC..SBendtrans-81.8111.9170.7-67.40000110.2I721 L722 E726 V727 E728I721-C724 WeakPolarHBondContact O-CB 3.48Å; I721-C724 PolarHBondContact O-N 3.1Å; I721-C724 VanDerWaalsContact O-N 3.11Å; L722-C724 PolarHBondContact O-N 3.46Å; C724-E726 WeakPolarHBondContact CB-OE2 3.26Å; C724-E726 PolarHBondContact O-N 3.23Å; C724-E726 VanDerWaalsContact O-N 3.07Å; C724-V727 HydrophobicContact CB-CG2 4.45Å; C724-V727 PolarHBondContact O-N 3.05Å; C724-E728 PolarHBondContact O-N 3.17Å
725R70.4Confident78.8Confident51 Ų5122.9 Ų22.919%0.19211%0.114CC..THydrogen-bonded Turntrans-54.8-31.3-172.6-166.9178.8-171.8-176.54114E287 V727E287-R725 IonicContact OE1-CZ 3.21Å; E287-R725 IonicContact OE1-NH2 2.87Å; E287-R725 PolarHBondContact OE1-NH2 2.46Å; R725-V727 PolarHBondContact O-N 3.49Å; R725-V727 VanDerWaalsContact O-N 3.08Å
726E70Confident78.5Confident36 Ų3623.2 Ų23.217%0.16812%0.116CC..THydrogen-bonded Turntrans-66.2-12.1179.7-3997.9143.700113.1I343 V686 R689 C724I343-E726 HydrophobicContact CD1-CG 4.42Å; I343-E726 HydrophobicContact CG2-CB 4.47Å; V686-E726 HydrophobicContact CG1-CB 3.98Å; V686-E726 HydrophobicContact CG1-CG 4.47Å; V686-E726 HydrophobicContact CG2-CG 4.32Å; R689-E726 IonicContact NH1-OE1 3.58Å; R689-E726 PolarHBondContact NH1-OE1 3.48Å; R689-E726 IonicContact NH1-OE2 3.64Å; C724-E726 WeakPolarHBondContact CB-OE2 3.26Å; C724-E726 PolarHBondContact O-N 3.23Å; C724-E726 VanDerWaalsContact O-N 3.07Å
727V66.6Low78.4Confident6 Ų626.1 Ų26.14%0.03614%0.137CC..THydrogen-bonded Turntrans-123-15.7-169.8-169.20000112.2L693 C724 R725 N731L693-V727 HydrophobicContact CD2-CG1 3.32Å; C724-V727 HydrophobicContact CB-CG2 4.45Å; C724-V727 PolarHBondContact O-N 3.05Å; R725-V727 PolarHBondContact O-N 3.49Å; R725-V727 VanDerWaalsContact O-N 3.08Å; V727-N731 VanDerWaalsContact CG1-ND2 3.33Å; V727-N731 WeakPolarHBondContact CG1-ND2 3.32Å; V727-N731 PolarHBondContact O-ND2 3.13Å
728E65.2Low78.2Confident9 Ų927.2 Ų27.24%0.04214%0.142CC..Hα-helixtrans-59.6-68.4-166.1-171.4-167.6135.700114.6C724 N730 N731 V732 L792 T793C724-E728 PolarHBondContact O-N 3.17Å; E728-N730 PolarHBondContact O-N 2.77Å; E728-N731 PolarHBondContact O-N 2.85Å; E728-V732 HydrophobicContact CG-CG2 4.21Å; E728-V732 WeakPolarHBondContact O-CG2 3.17Å; E728-V732 PolarHBondContact O-N 3.36Å; E728-L792 HydrophobicContact CG-CD2 3.88Å; E728-L792 WeakPolarHBondContact OE1-CA 3.47Å; E728-T793 WeakPolarHBondContact OE1-CB 3.22Å; E728-T793 PolarHBondContact OE1-N 3Å; E728-T793 PolarHBondContact OE1-OG1 3.02Å
729S65.9Low78Confident56 Ų5627.2 Ų27.239%0.39214%0.143SC..Hα-helixtrans-56.5-50-166.257.20000113.5N731 N733S729-N731 PolarHBondContact O-N 3.04Å; S729-N733 PolarHBondContact O-N 3.08Å
730N69.3Low77.7Confident96 Ų9630.6 Ų30.651%0.51316%0.163SC..Hα-helixtrans-61.1-27.5179.1-76.9-39.9000113.5E728 R734E728-N730 PolarHBondContact O-N 2.77Å; N730-R734 WeakPolarHBondContact O-CD 3.25Å; N730-R734 WeakPolarHBondContact O-CG 2.98Å
731N75.2Confident77.5Confident4 Ų438 Ų382%0.02120%0.196CC..Hα-helixtrans-101.3-27.8-174.8-66.7-73.9000113.4L693 L697 L722 V727 E728 S729 N733 R734 I735L693-N731 HydrophobicContact CD2-CB 3.56Å; L693-N731 VanDerWaalsContact CD2-CG 3.45Å; L697-N731 HydrophobicContact CD1-CB 4.24Å; L697-N731 WeakPolarHBondContact CD1-OD1 3.5Å; L722-N731 HydrophobicContact CD2-CB 4.04Å; V727-N731 VanDerWaalsContact CG1-ND2 3.33Å; V727-N731 WeakPolarHBondContact CG1-ND2 3.32Å; V727-N731 PolarHBondContact O-ND2 3.13Å; E728-N731 PolarHBondContact O-N 2.85Å; S729-N731 PolarHBondContact O-N 3.04Å; N731-N733 VanDerWaalsContact C-N 3.32Å; N731-R734 WeakPolarHBondContact O-CB 3.2Å; N731-R734 PolarHBondContact O-N 3.28Å; N731-R734 VanDerWaalsContact O-N 3.16Å; N731-R734 WeakPolarHBondContact OD1-CD 3.49Å; N731-R734 PolarHBondContact OD1-NH1 3.29Å; N731-I735 WeakPolarHBondContact O-CG1 3.27Å; N731-I735 PolarHBondContact O-N 3.32Å
732V80.1Confident77.3Confident0 Ų038.6 Ų38.60%020%0.199CC..Hα-helixtrans-63.5-41.3166.31790000110.3E728 R734 I735 L736 L792 V796E728-V732 HydrophobicContact CG-CG2 4.21Å; E728-V732 WeakPolarHBondContact O-CG2 3.17Å; E728-V732 PolarHBondContact O-N 3.36Å; V732-R734 PolarHBondContact O-N 3.08Å; V732-I735 WeakPolarHBondContact O-CA 3.44Å; V732-I735 WeakPolarHBondContact O-CB 3.44Å; V732-I735 PolarHBondContact O-N 2.76Å; V732-L736 HydrophobicContact CG1-CD1 4.3Å; V732-L736 HydrophobicContact CG1-CG 4.44Å; V732-L736 WeakPolarHBondContact O-CG 3.44Å; V732-L736 PolarHBondContact O-N 2.78Å; V732-L792 HydrophobicContact CG2-CD2 3.64Å; V732-V796 HydrophobicContact CB-CG1 3.84Å; V732-V796 HydrophobicContact CG1-CG1 3.57Å; V732-V796 HydrophobicContact CG2-CG1 4.16Å
733N80.2Confident76.9Confident45 Ų4543.9 Ų43.924%0.24122%0.224CC..Hα-helixtrans-58.8-35.4172.3-73.4-11.5000112.5S729 N731 L736 C737 H799S729-N733 PolarHBondContact O-N 3.08Å; N731-N733 VanDerWaalsContact C-N 3.32Å; N733-L736 PolarHBondContact O-N 3.08Å; N733-C737 VanDerWaalsContact O-CB 3.3Å; N733-C737 WeakPolarHBondContact O-CB 3.29Å; N733-C737 PolarHBondContact O-N 3.31Å; N733-C737 PolarHBondContact O-SG 3.07Å; N733-H799 PolarHBondContact OD1-CE1 3.24Å; N733-H799 PolarHBondContact OD1-ND1 3.35Å
734R82.7Confident76.7Confident114 Ų11443.4 Ų43.443%0.4322%0.22SC..Hα-helixtrans-68.1-33.3173.1-71166.6177.3-175.3-7.8113.1L697 N730 N731 V732 L738L697-R734 HydrophobicContact CD1-CB 4.04Å; N730-R734 WeakPolarHBondContact O-CD 3.25Å; N730-R734 WeakPolarHBondContact O-CG 2.98Å; N731-R734 WeakPolarHBondContact O-CB 3.2Å; N731-R734 PolarHBondContact O-N 3.28Å; N731-R734 VanDerWaalsContact O-N 3.16Å; N731-R734 WeakPolarHBondContact OD1-CD 3.49Å; N731-R734 PolarHBondContact OD1-NH1 3.29Å; V732-R734 PolarHBondContact O-N 3.08Å; R734-L738 WeakPolarHBondContact O-CB 3.36Å; R734-L738 PolarHBondContact O-N 3.45Å
735I85.6Confident76.3Confident3 Ų344.7 Ų44.72%0.01523%0.225CC..Hα-helixtrans-69.8-43.9174.4-63.9164.1000110.5L697 F718 L722 N731 V732 C737 L738 L739 L780 L784L697-I735 HydrophobicContact CD2-CG1 3.87Å; F718-I735 HydrophobicContact CE1-CD1 4.09Å; F718-I735 HydrophobicContact CZ-CD1 3.69Å; F718-I735 HydrophobicContact CZ-CG1 4.15Å; L722-I735 HydrophobicContact CD1-CD1 3.61Å; L722-I735 HydrophobicContact CD2-CD1 3.93Å; L722-I735 HydrophobicContact CG-CD1 4.44Å; N731-I735 WeakPolarHBondContact O-CG1 3.27Å; N731-I735 PolarHBondContact O-N 3.32Å; V732-I735 WeakPolarHBondContact O-CA 3.44Å; V732-I735 WeakPolarHBondContact O-CB 3.44Å; V732-I735 PolarHBondContact O-N 2.76Å; I735-C737 PolarHBondContact O-N 3.04Å; I735-L738 WeakPolarHBondContact O-CB 3.48Å; I735-L738 PolarHBondContact O-N 3.37Å; I735-L739 PolarHBondContact O-N 3.42Å; I735-L780 HydrophobicContact CG2-CD2 4.16Å; I735-L784 HydrophobicContact CG2-CD1 4.38Å
736L83.8Confident76Confident11 Ų1144.9 Ų44.96%0.05823%0.226CC..Hα-helixtrans-62.3-43175.1-63.1173.2000111.3V732 N733 L738 L739 T740 T800V732-L736 HydrophobicContact CG1-CD1 4.3Å; V732-L736 HydrophobicContact CG1-CG 4.44Å; V732-L736 WeakPolarHBondContact O-CG 3.44Å; V732-L736 PolarHBondContact O-N 2.78Å; N733-L736 PolarHBondContact O-N 3.08Å; L736-L738 PolarHBondContact O-N 3.05Å; L736-L739 HydrophobicContact CD2-CD1 4.5Å; L736-L739 PolarHBondContact O-N 2.89Å; L736-T740 PolarHBondContact O-N 3.36Å; L736-T740 VanDerWaalsContact O-N 3.08Å; L736-T740 PolarHBondContact O-OG1 2.76Å; L736-T800 HydrophobicContact CD2-CG2 4.17Å
737C84.3Confident75.2Confident72 Ų7245.7 Ų45.749%0.48624%0.235SC..Hα-helixtrans-68.1-16.5172.4-71.30000114.6N733 I735 T740 K741N733-C737 VanDerWaalsContact O-CB 3.3Å; N733-C737 WeakPolarHBondContact O-CB 3.29Å; N733-C737 PolarHBondContact O-N 3.31Å; N733-C737 PolarHBondContact O-SG 3.07Å; I735-C737 PolarHBondContact O-N 3.04Å; C737-T740 PolarHBondContact O-OG1 3.07Å; C737-K741 WeakPolarHBondContact O-CD 3.41Å; C737-K741 VanDerWaalsContact O-CG 3.3Å; C737-K741 WeakPolarHBondContact O-CG 3.24Å
738L84.3Confident74.4Confident23 Ų2349 Ų4912%0.1225%0.248CC..Hα-helixtrans-82.8-44.5170.4179.962.1000109.8F700 R734 I735 L736 T740 K741 L742 L780F700-L738 HydrophobicContact CB-CD2 4.13Å; R734-L738 WeakPolarHBondContact O-CB 3.36Å; R734-L738 PolarHBondContact O-N 3.45Å; I735-L738 WeakPolarHBondContact O-CB 3.48Å; I735-L738 PolarHBondContact O-N 3.37Å; L736-L738 PolarHBondContact O-N 3.05Å; L738-T740 VanDerWaalsContact C-N 3.31Å; L738-T740 PolarHBondContact O-N 3.07Å; L738-K741 PolarHBondContact O-N 3.18Å; L738-L742 HydrophobicContact CD1-CD1 4.49Å; L738-L742 HydrophobicContact CD1-CG 4.46Å; L738-L742 HydrophobicContact CG-CD1 4.12Å; L738-L742 WeakPolarHBondContact O-CG 3.29Å; L738-L742 PolarHBondContact O-N 3.12Å; L738-L742 VanDerWaalsContact O-N 3.14Å; L738-L780 HydrophobicContact CD2-CD1 4.07Å; L738-L780 HydrophobicContact CG-CD1 4.47Å
739L84.7Confident73.3Confident3 Ų354.1 Ų54.12%0.01628%0.275CS..Hα-helixtrans-57.9-39.2176.1-77.9171.6000113I735 L736 K741 L742 V777 L780 L781 L784 L807I735-L739 PolarHBondContact O-N 3.42Å; L736-L739 HydrophobicContact CD2-CD1 4.5Å; L736-L739 PolarHBondContact O-N 2.89Å; L739-K741 VanDerWaalsContact C-N 3.26Å; L739-K741 PolarHBondContact O-N 3.45Å; L739-L742 PolarHBondContact O-N 3.26Å; L739-V777 HydrophobicContact CD2-CG1 4.15Å; L739-V777 HydrophobicContact CD2-CG2 4.47Å; L739-L780 HydrophobicContact CD2-CB 3.89Å; L739-L780 HydrophobicContact CD2-CD1 3.99Å; L739-L780 HydrophobicContact CG-CB 4.43Å; L739-L780 HydrophobicContact CG-CD1 4.25Å; L739-L781 HydrophobicContact CD1-CD2 4.3Å; L739-L784 HydrophobicContact CD1-CD1 3.56Å; L739-L807 HydrophobicContact CB-CD1 3.9Å
740T80.8Confident71.8Confident72 Ų7257.9 Ų57.944%0.44230%0.296SS..THydrogen-bonded Turntrans-72.2-15.9176.255.40000114.2L736 C737 L738 L807L736-T740 PolarHBondContact O-N 3.36Å; L736-T740 VanDerWaalsContact O-N 3.08Å; L736-T740 PolarHBondContact O-OG1 2.76Å; C737-T740 PolarHBondContact O-OG1 3.07Å; L738-T740 VanDerWaalsContact C-N 3.31Å; L738-T740 PolarHBondContact O-N 3.07Å; T740-L807 HydrophobicContact CG2-CD1 4.49Å
741K80.4Confident70.2Confident166 Ų16657 Ų5772%0.72230%0.297SS*.THydrogen-bonded Turntrans-92.7-20176-70.4176.7-176.5-176.20113.5C737 L738 L739C737-K741 WeakPolarHBondContact O-CD 3.41Å; C737-K741 VanDerWaalsContact O-CG 3.3Å; C737-K741 WeakPolarHBondContact O-CG 3.24Å; L738-K741 PolarHBondContact O-N 3.18Å; L739-K741 VanDerWaalsContact C-N 3.26Å; L739-K741 PolarHBondContact O-N 3.45Å
742L79Confident68Low15 Ų1565 Ų658%0.07934%0.341CS..  trans-83.9120.4177.4-66.3168.7000109.2P704 L738 L739 P744 L776 V777 L780P704-L742 HydrophobicContact CG-CD2 3.84Å; L738-L742 HydrophobicContact CD1-CD1 4.49Å; L738-L742 HydrophobicContact CD1-CG 4.46Å; L738-L742 HydrophobicContact CG-CD1 4.12Å; L738-L742 WeakPolarHBondContact O-CG 3.29Å; L738-L742 PolarHBondContact O-N 3.12Å; L738-L742 VanDerWaalsContact O-N 3.14Å; L739-L742 PolarHBondContact O-N 3.26Å; L742-P744 WeakPolarHBondContact O-CD 3.42Å; L742-L776 HydrophobicContact CD1-CD2 3.82Å; L742-L776 HydrophobicContact CD1-CG 4.06Å; L742-L776 HydrophobicContact CD2-CD2 4.23Å; L742-V777 HydrophobicContact CB-CG2 3.58Å; L742-V777 HydrophobicContact CD1-CG2 3.76Å; L742-V777 HydrophobicContact CG-CG2 4.29Å; L742-L780 HydrophobicContact CD1-CD1 4.24Å
743Q74.9Confident65.9Low112 Ų11270.6 Ų70.652%0.52338%0.375SS..  trans-95.7107.4173.8-67.1-174.8-42.800109.6L745 W814Q743-L745 VanDerWaalsContact C-N 3.29Å; Q743-L745 HydrophobicContact CB-CD1 4.09Å; Q743-L745 HydrophobicContact CB-CG 4.49Å; Q743-L745 PolarHBondContact O-N 3.37Å; Q743-L745 VanDerWaalsContact O-N 3.11Å; Q743-W814 HydrophobicContact CG-CH2 3.94Å; Q743-W814 HydrophobicContact CG-CZ2 4.33Å
744P71.5Confident63.4Low1 Ų175.6 Ų75.61%0.00640%0.397CS..  trans-89.966.6-179.434.5-24.5000109.8L742 V777 W811 L839L742-P744 WeakPolarHBondContact O-CD 3.42Å; P744-V777 HydrophobicContact CB-CG2 4.43Å; P744-W811 HydrophobicContact CG-CH2 4.15Å; P744-W811 HydrophobicContact CG-CZ2 3.53Å; P744-L839 HydrophobicContact CB-CD1 4.07Å
745L66.6Low60.9Low43 Ų4376.4 Ų76.423%0.22542%0.417CS..  trans-93.5116.7179.6-72.4159.7000110Q743 N770Q743-L745 VanDerWaalsContact C-N 3.29Å; Q743-L745 HydrophobicContact CB-CD1 4.09Å; Q743-L745 HydrophobicContact CB-CG 4.49Å; Q743-L745 PolarHBondContact O-N 3.37Å; Q743-L745 VanDerWaalsContact O-N 3.11Å; L745-N770 PolarHBondContact O-ND2 3.3Å
746W64.3Low58.2Low56 Ų5682.7 Ų82.721%0.21244%0.444CS..EExtended strand (participates in β ladder)trans-94.9144.8171.3-165.6-106.3000110.6Y748 Y771 S833 E834 P836 P1302W746-Y748 AromaticContact CD1-CD2 3.99Å; W746-Y748 AromaticContact CD1-CE1 3.97Å; W746-Y748 AromaticContact CD1-CE2 3.68Å; W746-Y748 AromaticContact CD1-CZ 3.66Å; W746-Y748 AromaticContact NE1-CE1 3.8Å; W746-Y748 AromaticContact NE1-CZ 3.95Å; W746-Y771 HydrophobicContact CZ3-CD2 4.46Å; W746-S833 CarbonylContact O-C 3.58Å; W746-S833 WeakPolarHBondContact O-CA 3.35Å; W746-E834 WeakPolarHBondContact CB-O 3.47Å; W746-E834 PolarHBondContact N-O 2.73Å; W746-E834 VanDerWaalsContact N-O 3.1Å; W746-E834 PolarHBondContact O-N 3.48Å; W746-E834 VanDerWaalsContact O-N 3.16Å; W746-P836 HydrophobicContact CB-CG 4.25Å; W746-P1302 HydrophobicContact CH2-CB 4.49Å; W746-P1302 HydrophobicContact CH2-CG 3.55Å; W746-P1302 HydrophobicContact CZ2-CG 3.71Å; W746-P1302 HydrophobicContact CZ3-CG 3.99Å
747S54.1Low55.6Low52 Ų5292.4 Ų92.436%0.36448%0.481SS..EExtended strand (participates in β ladder)trans-125.7107.6178.764.50000111
748Y49Very low52.8Low77 Ų7793.4 Ų93.430%0.30250%0.495SS..  trans-75.9125163.6-60.6-81.6000108.2W746W746-Y748 AromaticContact CD1-CD2 3.99Å; W746-Y748 AromaticContact CD1-CE1 3.97Å; W746-Y748 AromaticContact CD1-CE2 3.68Å; W746-Y748 AromaticContact CD1-CZ 3.66Å; W746-Y748 AromaticContact NE1-CE1 3.8Å; W746-Y748 AromaticContact NE1-CZ 3.95Å
749N41.6Very low50.2Low115 Ų11598.3 Ų98.362%0.61553%0.525SS*.  trans-155.9124.7171.9-114.7-14.8000112.7S751N749-S751 PolarHBondContact O-N 3.47Å
750T34.4Very low47.5Very low135 Ų135105.3 Ų105.383%0.82856%0.562SS**  trans-81.895.4-178.638.80000111.1
751S37.5Very low44.8Very low77 Ų77108.3 Ų108.354%0.53858%0.584SS.*  trans-134.4102.5169.465.60000110.6N749 T753N749-S751 PolarHBondContact O-N 3.47Å; S751-T753 PolarHBondContact O-N 2.74Å
752N28.8Very low42.2Very low174 Ų174103.1 Ų103.193%0.9358%0.578SS**  trans-67.188.5178.7-77-22.3000112.1
753T34.6Very low40.1Very low117 Ų117109.5 Ų109.572%0.71862%0.618SS**  trans-146.9113.5158.846.40000109S751S751-T753 PolarHBondContact O-N 2.74Å
754E28.2Very low38.2Very low149 Ų149110.9 Ų110.970%0.69663%0.634SS**  trans-58.7150.3169.3-51.7-167.8127.300110.3K756E754-K756 IonicContact OE1-NZ 2.62Å; E754-K756 PolarHBondContact OE1-NZ 3.34Å; E754-K756 IonicContact OE2-NZ 2.86Å; E754-K756 PolarHBondContact OE2-NZ 2.73Å
755P30.7Very low36.9Very low131 Ų131116.9 Ų116.985%0.85166%0.662SS**  -136.414796.934.7-22.8000114.9
756K29.5Very low36.2Very low135 Ų135119.3 Ų119.359%0.58768%0.68SS**  trans-83151176.7-61174.1168.475.90111.8E754E754-K756 IonicContact OE1-NZ 2.62Å; E754-K756 PolarHBondContact OE1-NZ 3.34Å; E754-K756 IonicContact OE2-NZ 2.86Å; E754-K756 PolarHBondContact OE2-NZ 2.73Å
757Y28Very low35.6Very low215 Ų215122.1 Ų122.184%0.84369%0.694SS**SBendtrans51.6115158.5-63-65.4000120.9
758A26.5Very low35.9Very low94 Ų94122.1 Ų122.178%0.77769%0.692SS**  trans65.1-174.7150.400000116.8
759V29.1Very low36.5Very low125 Ų125120.2 Ų120.276%0.75869%0.69SS**  trans81.3117.5161.9-179.50000117.9
760L27.5Very low37.9Very low151 Ų151116.9 Ų116.979%0.79167%0.672SS**  trans51.8112.3151.9-92.259000121.7
761C25Very low40.1Very low134 Ų134112.1 Ų112.191%0.90564%0.639SS**  28.596.9106.8-1600000117.6
762G26.3Very low42.1Very low58 Ų58109.9 Ų109.960%0.59862%0.62SS**  trans143.6121.4163.500000113.1
763T33.9Very low44.7Very low148 Ų148102.5 Ų102.591%0.90858%0.582SS**SBendtrans72.1141.8-176.675.30000115.5
764T35.3Very low47Very low141 Ų14197 Ų9787%0.86555%0.548SS*.  trans-101.8104.2-168.347.90000111.1
765E43.7Very low49.7Very low128 Ų12890 Ų9060%0.59852%0.516SS*.  trans-76.8130.3171-73.3-160.5156.900112K767 V768E765-K767 VanDerWaalsContact C-N 3.27Å; E765-K767 PolarHBondContact O-N 2.7Å; E765-V768 HydrophobicContact CB-CG2 4.09Å; E765-V768 PolarHBondContact O-N 3.34Å
766P51.6Low52.4Low93 Ų9384.3 Ų84.360%0.60448%0.478SS*.Hα-helixtrans-68.4-23-177.627.3-34.9000113.7V768 S769 N770P766-V768 VanDerWaalsContact C-N 3.28Å; P766-V768 PolarHBondContact O-N 3.14Å; P766-S769 WeakPolarHBondContact CA-OG 3.3Å; P766-S769 PolarHBondContact O-OG 2.78Å; P766-N770 PolarHBondContact O-N 3.09Å; P766-N770 PolarHBondContact O-OD1 2.87Å
767K53.1Low55.2Low115 Ų11578 Ų7850%0.545%0.45SS..Hα-helixtrans-62.8-36.7175.4-68.1-175.6177.7-178.30111.6E765E765-K767 VanDerWaalsContact C-N 3.27Å; E765-K767 PolarHBondContact O-N 2.7Å
768V59.4Low58.1Low52 Ų5268.6 Ų68.632%0.31541%0.414SS..Hα-helixtrans-72.9-44.5-176.7-175.90000110.9N707 E765 P766 N770 Y771 F772N707-V768 WeakPolarHBondContact OD1-CG1 3.42Å; E765-V768 HydrophobicContact CB-CG2 4.09Å; E765-V768 PolarHBondContact O-N 3.34Å; P766-V768 VanDerWaalsContact C-N 3.28Å; P766-V768 PolarHBondContact O-N 3.14Å; V768-N770 VanDerWaalsContact C-N 3.28Å; V768-N770 PolarHBondContact O-N 3.03Å; V768-Y771 PolarHBondContact O-N 2.97Å; V768-F772 HydrophobicContact CG1-CD2 3.91Å; V768-F772 HydrophobicContact CG1-CE2 3.63Å; V768-F772 VanDerWaalsContact O-CD2 3.25Å; V768-F772 WeakPolarHBondContact O-CD2 3.41Å; V768-F772 PolarHBondContact O-N 2.9Å
769S61.4Low61.1Low37 Ų3764.6 Ų64.626%0.25938%0.38SS..Hα-helixtrans-61.3-33.7178.347.80000113.5P766 S773P766-S769 WeakPolarHBondContact CA-OG 3.3Å; P766-S769 PolarHBondContact O-OG 2.78Å; S769-S773 WeakPolarHBondContact O-CB 3.39Å; S769-S773 PolarHBondContact O-N 3.29Å; S769-S773 PolarHBondContact O-OG 3.2Å
770N72.6Confident64.1Low45 Ų4558.9 Ų58.924%0.24135%0.345CS..Hα-helixtrans-69.6-39.8-179.9-69.716.8000111.6L745 P766 V768 S773 C774L745-N770 PolarHBondContact O-ND2 3.3Å; P766-N770 PolarHBondContact O-N 3.09Å; P766-N770 PolarHBondContact O-OD1 2.87Å; V768-N770 VanDerWaalsContact C-N 3.28Å; V768-N770 PolarHBondContact O-N 3.03Å; N770-S773 WeakPolarHBondContact O-CB 3.34Å; N770-S773 PolarHBondContact O-N 2.71Å; N770-C774 PolarHBondContact O-N 2.81Å; N770-C774 PolarHBondContact O-SG 2.94Å
771Y78.6Confident67.1Low35 Ų3551.7 Ų51.714%0.13731%0.307CS..Hα-helixtrans-61.9-46.2175.1174.3-103.7000112.6L667 W746 V768 S773 C774 S775 P1302 H1303L667-Y771 WeakPolarHBondContact CD2-OH 3.28Å; W746-Y771 HydrophobicContact CZ3-CD2 4.46Å; V768-Y771 PolarHBondContact O-N 2.97Å; Y771-S773 VanDerWaalsContact C-N 3.29Å; Y771-S773 PolarHBondContact O-N 3.25Å; Y771-C774 PolarHBondContact O-N 2.71Å; Y771-S775 WeakPolarHBondContact CE1-OG 3.46Å; Y771-S775 VanDerWaalsContact CZ-OG 3.28Å; Y771-S775 VanDerWaalsContact O-CB 3.31Å; Y771-S775 WeakPolarHBondContact O-CB 3.26Å; Y771-S775 PolarHBondContact O-N 3.48Å; Y771-S775 PolarHBondContact O-OG 3.4Å; Y771-P1302 HydrophobicContact CD2-CB 3.94Å; Y771-P1302 HydrophobicContact CD2-CG 4.03Å; Y771-P1302 HydrophobicContact CE2-CB 3.84Å; Y771-P1302 HydrophobicContact CE2-CG 4.28Å; Y771-H1303 WeakPolarHBondContact CE2-O 3.46Å; Y771-H1303 PolarHBondContact OH-O 3.18Å; Y771-H1303 VanDerWaalsContact OH-O 3.08Å
772F81.1Confident70.2Confident31 Ų3145.3 Ų45.314%0.13627%0.265CS..Hα-helixtrans-68.3-30178.4-71.6-71.3000112.4N707 L709 V768 L776N707-F772 VanDerWaalsContact C-CE1 3.46Å; N707-F772 VanDerWaalsContact C-CZ 3.5Å; N707-F772 VanDerWaalsContact CA-CE2 3.47Å; N707-F772 VanDerWaalsContact CA-CZ 3.46Å; N707-F772 HydrophobicContact CB-CD2 4.37Å; N707-F772 HydrophobicContact CB-CE2 3.73Å; N707-F772 HydrophobicContact CB-CZ 3.9Å; N707-F772 WeakPolarHBondContact OD1-CE2 3.13Å; L709-F772 HydrophobicContact CD2-CD1 4.25Å; L709-F772 HydrophobicContact CD2-CE1 4.19Å; L709-F772 HydrophobicContact CG-CE1 4.34Å; V768-F772 HydrophobicContact CG1-CD2 3.91Å; V768-F772 HydrophobicContact CG1-CE2 3.63Å; V768-F772 VanDerWaalsContact O-CD2 3.25Å; V768-F772 WeakPolarHBondContact O-CD2 3.41Å; V768-F772 PolarHBondContact O-N 2.9Å; F772-L776 WeakPolarHBondContact O-CB 3.22Å; F772-L776 PolarHBondContact O-N 3.39Å
773S83.2Confident73.2Confident18 Ų1842.7 Ų42.713%0.12624%0.237CC..Hα-helixtrans-64.7-51.9170.7-59.50000111.7S769 N770 Y771 S775 L776 V777S769-S773 WeakPolarHBondContact O-CB 3.39Å; S769-S773 PolarHBondContact O-N 3.29Å; S769-S773 PolarHBondContact O-OG 3.2Å; N770-S773 WeakPolarHBondContact O-CB 3.34Å; N770-S773 PolarHBondContact O-N 2.71Å; Y771-S773 VanDerWaalsContact C-N 3.29Å; Y771-S773 PolarHBondContact O-N 3.25Å; S773-S775 VanDerWaalsContact C-N 3.31Å; S773-S775 PolarHBondContact O-N 2.81Å; S773-L776 PolarHBondContact O-N 3.19Å; S773-V777 WeakPolarHBondContact O-CG2 3.12Å; S773-V777 PolarHBondContact O-N 2.42Å
774C83Confident75.9Confident3 Ų335.7 Ų35.72%0.0219%0.194CC..Hα-helixtrans-59.6-40.3175.2-69.60000112.4N770 Y771 L776 V777 F778 L839 L1304N770-C774 PolarHBondContact O-N 2.81Å; N770-C774 PolarHBondContact O-SG 2.94Å; Y771-C774 PolarHBondContact O-N 2.71Å; C774-L776 PolarHBondContact O-N 3.02Å; C774-V777 PolarHBondContact O-N 3.26Å; C774-F778 WeakPolarHBondContact O-CB 3.37Å; C774-F778 PolarHBondContact O-N 3.07Å; C774-L839 HydrophobicContact CB-CD1 4.15Å; C774-L1304 HydrophobicContact CB-CD2 4.27Å
775S85.1Confident78.4Confident2 Ų229 Ų291%0.01415%0.153CC..Hα-helixtrans-62.3-41.4176.7-650000112.6Y771 S773 T779Y771-S775 WeakPolarHBondContact CE1-OG 3.46Å; Y771-S775 VanDerWaalsContact CZ-OG 3.28Å; Y771-S775 VanDerWaalsContact O-CB 3.31Å; Y771-S775 WeakPolarHBondContact O-CB 3.26Å; Y771-S775 PolarHBondContact O-N 3.48Å; Y771-S775 PolarHBondContact O-OG 3.4Å; S773-S775 VanDerWaalsContact C-N 3.31Å; S773-S775 PolarHBondContact O-N 2.81Å; S775-T779 WeakPolarHBondContact O-CB 3.49Å; S775-T779 PolarHBondContact O-N 3.07Å; S775-T779 PolarHBondContact O-OG1 2.81Å
776L87.2Confident80.5Confident11 Ų1123.6 Ų23.66%0.05813%0.128CC..Hα-helixtrans-69.4-43.9176-179.262.1000111.5F700 P704 L742 F772 S773 C774 F778 T779 L780F700-L776 HydrophobicContact CD1-CD1 3.86Å; F700-L776 WeakPolarHBondContact O-CD2 3.42Å; P704-L776 HydrophobicContact CG-CD2 3.7Å; L742-L776 HydrophobicContact CD1-CD2 3.82Å; L742-L776 HydrophobicContact CD1-CG 4.06Å; L742-L776 HydrophobicContact CD2-CD2 4.23Å; F772-L776 WeakPolarHBondContact O-CB 3.22Å; F772-L776 PolarHBondContact O-N 3.39Å; S773-L776 PolarHBondContact O-N 3.19Å; C774-L776 PolarHBondContact O-N 3.02Å; L776-F778 VanDerWaalsContact C-N 3.34Å; L776-F778 PolarHBondContact O-N 3.02Å; L776-T779 PolarHBondContact O-N 3.32Å; L776-L780 HydrophobicContact CD1-CD1 4.26Å; L776-L780 HydrophobicContact CD1-CG 4.2Å; L776-L780 HydrophobicContact CG-CD1 4.11Å; L776-L780 HydrophobicContact CG-CG 4.45Å; L776-L780 WeakPolarHBondContact O-CB 3.42Å; L776-L780 WeakPolarHBondContact O-CG 3.44Å; L776-L780 PolarHBondContact O-N 3.38Å
777V88.2Confident82.2Confident1 Ų119.2 Ų19.21%0.00610%0.099CC..Hα-helixtrans-59.2-45.9175.6173.90000110.7L739 L742 P744 S773 C774 L780 L781 W811 L839L739-V777 HydrophobicContact CD2-CG1 4.15Å; L739-V777 HydrophobicContact CD2-CG2 4.47Å; L742-V777 HydrophobicContact CB-CG2 3.58Å; L742-V777 HydrophobicContact CD1-CG2 3.76Å; L742-V777 HydrophobicContact CG-CG2 4.29Å; P744-V777 HydrophobicContact CB-CG2 4.43Å; S773-V777 WeakPolarHBondContact O-CG2 3.12Å; S773-V777 PolarHBondContact O-N 2.42Å; C774-V777 PolarHBondContact O-N 3.26Å; V777-L780 PolarHBondContact O-N 2.72Å; V777-L781 HydrophobicContact CG1-CD1 3.93Å; V777-L781 HydrophobicContact CG1-CG 4.37Å; V777-L781 WeakPolarHBondContact O-CG 3.49Å; V777-L781 PolarHBondContact O-N 2.98Å; V777-W811 HydrophobicContact CG1-CH2 4Å; V777-W811 HydrophobicContact CG1-CZ2 4.02Å; V777-L839 HydrophobicContact CB-CD2 4.49Å; V777-L839 HydrophobicContact CG1-CD2 3.97Å
778F89Confident83.7Confident18 Ų1813.8 Ų13.88%0.0798%0.076CC..Hα-helixtrans-59.6-48.4175.8-168.7-85.8000111.3C774 L776 L780 L781 D782 L839 L842 L1304 P1305 V1306C774-F778 WeakPolarHBondContact O-CB 3.37Å; C774-F778 PolarHBondContact O-N 3.07Å; L776-F778 VanDerWaalsContact C-N 3.34Å; L776-F778 PolarHBondContact O-N 3.02Å; F778-L780 VanDerWaalsContact C-N 3.31Å; F778-L780 PolarHBondContact O-N 3.33Å; F778-L781 PolarHBondContact O-N 3.38Å; F778-D782 HydrophobicContact CE1-CB 4.47Å; F778-D782 VanDerWaalsContact O-CB 3.25Å; F778-D782 WeakPolarHBondContact O-CB 3.27Å; F778-D782 PolarHBondContact O-N 3.42Å; F778-L839 HydrophobicContact CB-CD2 3.86Å; F778-L839 HydrophobicContact CD2-CD2 3.91Å; F778-L839 HydrophobicContact CD2-CG 4.48Å; F778-L839 HydrophobicContact CG-CD2 4.38Å; F778-L842 HydrophobicContact CD1-CD2 4.48Å; F778-L842 HydrophobicContact CD2-CD2 3.71Å; F778-L842 HydrophobicContact CE1-CD2 4.42Å; F778-L842 HydrophobicContact CE2-CD2 3.67Å; F778-L842 HydrophobicContact CG-CD2 4.15Å; F778-L842 HydrophobicContact CZ-CD2 4.03Å; F778-L1304 HydrophobicContact CB-CB 4.25Å; F778-L1304 HydrophobicContact CB-CD1 4.25Å; F778-L1304 HydrophobicContact CD1-CB 4.04Å; F778-L1304 HydrophobicContact CD2-CB 3.87Å; F778-L1304 HydrophobicContact CD2-CD1 3.43Å; F778-L1304 VanDerWaalsContact CD2-CD1 3.43Å; F778-L1304 HydrophobicContact CD2-CG 4.25Å; F778-L1304 HydrophobicContact CE1-CB 4.38Å; F778-L1304 HydrophobicContact CE2-CB 4.19Å; F778-L1304 HydrophobicContact CE2-CD1 4Å; F778-L1304 HydrophobicContact CG-CB 3.78Å; F778-L1304 HydrophobicContact CG-CD1 4.01Å; F778-L1304 HydrophobicContact CG-CG 4.42Å; F778-L1304 HydrophobicContact CZ-CB 4.44Å; F778-P1305 WeakPolarHBondContact CD1-O 3.36Å; F778-V1306 HydrophobicContact CE1-CB 4.5Å; F778-V1306 HydrophobicContact CE1-CG2 3.99Å; F778-V1306 HydrophobicContact CZ-CG2 4.2Å
779T89.6Confident84.9Confident11 Ų1111.3 Ų11.37%0.0676%0.061CC..Hα-helixtrans-56.9-44.6177.5-56.50000111.6I715 S775 L776 T783I715-T779 HydrophobicContact CD1-CG2 3.53Å; I715-T779 HydrophobicContact CG1-CG2 4.09Å; S775-T779 WeakPolarHBondContact O-CB 3.49Å; S775-T779 PolarHBondContact O-N 3.07Å; S775-T779 PolarHBondContact O-OG1 2.81Å; L776-T779 PolarHBondContact O-N 3.32Å; T779-T783 VanDerWaalsContact O-CG2 3.25Å; T779-T783 WeakPolarHBondContact O-CG2 3.42Å; T779-T783 PolarHBondContact O-N 2.88Å; T779-T783 PolarHBondContact O-OG1 3.06Å
780L90.7Very high85.8Confident4 Ų410.6 Ų10.62%0.0215%0.054CC..Hα-helixtrans-67.5-44.3179.2-69.6175.7000111.8I735 L738 L739 L742 L776 V777 F778 T783 L784I735-L780 HydrophobicContact CG2-CD2 4.16Å; L738-L780 HydrophobicContact CD2-CD1 4.07Å; L738-L780 HydrophobicContact CG-CD1 4.47Å; L739-L780 HydrophobicContact CD2-CB 3.89Å; L739-L780 HydrophobicContact CD2-CD1 3.99Å; L739-L780 HydrophobicContact CG-CB 4.43Å; L739-L780 HydrophobicContact CG-CD1 4.25Å; L742-L780 HydrophobicContact CD1-CD1 4.24Å; L776-L780 HydrophobicContact CD1-CD1 4.26Å; L776-L780 HydrophobicContact CD1-CG 4.2Å; L776-L780 HydrophobicContact CG-CD1 4.11Å; L776-L780 HydrophobicContact CG-CG 4.45Å; L776-L780 WeakPolarHBondContact O-CB 3.42Å; L776-L780 WeakPolarHBondContact O-CG 3.44Å; L776-L780 PolarHBondContact O-N 3.38Å; V777-L780 PolarHBondContact O-N 2.72Å; F778-L780 VanDerWaalsContact C-N 3.31Å; F778-L780 PolarHBondContact O-N 3.33Å; L780-T783 PolarHBondContact O-N 2.9Å; L780-T783 PolarHBondContact O-OG1 3.16Å; L780-L784 WeakPolarHBondContact O-CB 3.5Å; L780-L784 WeakPolarHBondContact O-CG 3.43Å; L780-L784 PolarHBondContact O-N 3.05Å
781L91.1Very high86.1Confident0 Ų09.3 Ų9.30%05%0.047CC..Hα-helixtrans-66.8-34.2176.5-69.3176.6000113.3L739 V777 F778 G785 L804 W811 L839 L842 L843 N846L739-L781 HydrophobicContact CD1-CD2 4.3Å; V777-L781 HydrophobicContact CG1-CD1 3.93Å; V777-L781 HydrophobicContact CG1-CG 4.37Å; V777-L781 WeakPolarHBondContact O-CG 3.49Å; V777-L781 PolarHBondContact O-N 2.98Å; F778-L781 PolarHBondContact O-N 3.38Å; L781-G785 PolarHBondContact O-N 2.89Å; L781-G785 VanDerWaalsContact O-N 3.08Å; L781-L804 HydrophobicContact CD2-CD2 4.01Å; L781-W811 HydrophobicContact CD1-CH2 4.13Å; L781-L839 HydrophobicContact CD1-CD2 4.27Å; L781-L842 HydrophobicContact CB-CD2 3.65Å; L781-L842 HydrophobicContact CB-CG 3.96Å; L781-L843 HydrophobicContact CD1-CB 4.43Å; L781-L843 HydrophobicContact CD2-CD1 4.36Å; L781-N846 PolarHBondContact O-ND2 3.2Å; L781-N846 PolarHBondContact O-OD1 2.96Å
782D90.8Very high86.1Confident1 Ų17.8 Ų7.81%0.0054%0.041CC..Hα-helixtrans-64.9-46173.7-173.738.3000110.6F778 F786 S1307 Y1308 G1309F778-D782 HydrophobicContact CE1-CB 4.47Å; F778-D782 VanDerWaalsContact O-CB 3.25Å; F778-D782 WeakPolarHBondContact O-CB 3.27Å; F778-D782 PolarHBondContact O-N 3.42Å; D782-F786 PolarHBondContact O-N 3.44Å; D782-F786 VanDerWaalsContact O-N 3.08Å; D782-F786 WeakPolarHBondContact OD1-CD2 3.12Å; D782-S1307 WeakPolarHBondContact OD2-CA 3.47Å; D782-S1307 WeakPolarHBondContact OD2-CB 3.27Å; D782-S1307 PolarHBondContact OD2-N 3.46Å; D782-Y1308 PolarHBondContact OD2-N 3.18Å; D782-G1309 WeakPolarHBondContact OD1-CA 3.35Å; D782-G1309 PolarHBondContact OD1-N 3.46Å
783T89.7Confident85.6Confident3 Ų37.2 Ų7.22%0.0184%0.04CC..Iπ-helixtrans-65.7-40.7175.361.70000113.3I715 T779 L780 R787 L788 Y1308I715-T783 HydrophobicContact CG2-CG2 3.25Å; T779-T783 VanDerWaalsContact O-CG2 3.25Å; T779-T783 WeakPolarHBondContact O-CG2 3.42Å; T779-T783 PolarHBondContact O-N 2.88Å; T779-T783 PolarHBondContact O-OG1 3.06Å; L780-T783 PolarHBondContact O-N 2.9Å; L780-T783 PolarHBondContact O-OG1 3.16Å; T783-R787 CarbonylContact O-C 3.51Å; T783-R787 WeakPolarHBondContact O-CA 3.2Å; T783-R787 WeakPolarHBondContact O-CB 3.02Å; T783-R787 PolarHBondContact O-N 2.92Å; T783-R787 VanDerWaalsContact O-N 3.11Å; T783-L788 PolarHBondContact O-N 3.02Å; T783-Y1308 HydrophobicContact CG2-CD2 4.47Å; T783-Y1308 HydrophobicContact CG2-CE2 4.02Å
784L89.4Confident85Confident0 Ų06.6 Ų6.60%04%0.036CC..Iπ-helixtrans-62.9-50.3179.5-77.7167.3000110.9I735 L739 L780 L788 A789I735-L784 HydrophobicContact CG2-CD1 4.38Å; L739-L784 HydrophobicContact CD1-CD1 3.56Å; L780-L784 WeakPolarHBondContact O-CB 3.5Å; L780-L784 WeakPolarHBondContact O-CG 3.43Å; L780-L784 PolarHBondContact O-N 3.05Å; L784-L788 HydrophobicContact CD2-CD1 4.13Å; L784-L788 CarbonylContact O-C 3.56Å; L784-L788 PolarHBondContact O-N 2.89Å; L784-A789 WeakPolarHBondContact O-CB 3.31Å; L784-A789 PolarHBondContact O-N 3.45Å
785G87.7Confident84.3Confident1 Ų19.7 Ų9.71%0.015%0.05CC..Iπ-helixtrans-76.4-49-173.300000114.7L781 A789 N846L781-G785 PolarHBondContact O-N 2.89Å; L781-G785 VanDerWaalsContact O-N 3.08Å; G785-A789 WeakPolarHBondContact O-CB 3.38Å; G785-N846 WeakPolarHBondContact CA-OD1 3.31Å; G785-N846 PolarHBondContact N-OD1 3.41Å
786F88.8Confident83.9Confident14 Ų1410 Ų106%0.0615%0.051CC..Iπ-helixtrans-89.6-31.6-175.3-63.5-83.6000113.5D782 L842 W845 G1309 L1313 R1314D782-F786 PolarHBondContact O-N 3.44Å; D782-F786 VanDerWaalsContact O-N 3.08Å; D782-F786 WeakPolarHBondContact OD1-CD2 3.12Å; F786-L842 HydrophobicContact CE2-CD1 3.92Å; F786-W845 AromaticContact CD1-CH2 3.42Å; F786-W845 HydrophobicContact CD1-CH2 3.42Å; F786-W845 VanDerWaalsContact CD1-CH2 3.42Å; F786-W845 HydrophobicContact CD1-CZ2 4.15Å; F786-W845 AromaticContact CD1-CZ3 3.92Å; F786-W845 HydrophobicContact CD1-CZ3 3.92Å; F786-W845 HydrophobicContact CD2-CH2 4.07Å; F786-W845 AromaticContact CD2-CZ3 3.69Å; F786-W845 HydrophobicContact CD2-CZ3 3.69Å; F786-W845 HydrophobicContact CE1-CE3 4.42Å; F786-W845 AromaticContact CE1-CH2 3.28Å; F786-W845 HydrophobicContact CE1-CH2 3.28Å; F786-W845 AromaticContact CE1-CZ2 3.68Å; F786-W845 HydrophobicContact CE1-CZ2 3.68Å; F786-W845 AromaticContact CE1-CZ3 3.7Å; F786-W845 HydrophobicContact CE1-CZ3 3.7Å; F786-W845 AromaticContact CE2-CE3 3.97Å; F786-W845 HydrophobicContact CE2-CE3 3.97Å; F786-W845 AromaticContact CE2-CH2 3.97Å; F786-W845 HydrophobicContact CE2-CH2 3.97Å; F786-W845 AromaticContact CE2-CZ3 3.46Å; F786-W845 HydrophobicContact CE2-CZ3 3.46Å; F786-W845 VanDerWaalsContact CE2-CZ3 3.46Å; F786-W845 AromaticContact CG-CH2 3.82Å; F786-W845 HydrophobicContact CG-CH2 3.82Å; F786-W845 AromaticContact CG-CZ3 3.92Å; F786-W845 HydrophobicContact CG-CZ3 3.92Å; F786-W845 HydrophobicContact CZ-CD2 4.34Å; F786-W845 AromaticContact CZ-CE3 3.88Å; F786-W845 HydrophobicContact CZ-CE3 3.88Å; F786-W845 AromaticContact CZ-CH2 3.59Å; F786-W845 HydrophobicContact CZ-CH2 3.59Å; F786-W845 HydrophobicContact CZ-CZ2 4.07Å; F786-W845 AromaticContact CZ-CZ3 3.47Å; F786-W845 HydrophobicContact CZ-CZ3 3.47Å; F786-W845 VanDerWaalsContact CZ-CZ3 3.47Å; F786-G1309 VanDerWaalsContact CZ-CA 3.42Å; F786-L1313 HydrophobicContact CD1-CB 3.89Å; F786-L1313 HydrophobicContact CD1-CD1 4.04Å; F786-L1313 HydrophobicContact CE1-CB 3.67Å; F786-L1313 HydrophobicContact CE1-CD1 4.49Å; F786-R1314 HydrophobicContact CE1-CG 3.94Å; F786-R1314 HydrophobicContact CZ-CG 3.58Å
787R86.3Confident83.6Confident2 Ų29.5 Ų9.51%0.0085%0.049CC..Iπ-helixtrans-100.5-39.2-176.1-170.355.7172.2132.6-3.5113.8E716 C719 T783 I791 D1255 S1258 Y1308 R1351 Y1559E716-R787 IonicContact OE1-CZ 2.72Å; E716-R787 IonicContact OE1-NE 2.64Å; E716-R787 IonicContact OE1-NH2 2.72Å; E716-R787 PolarHBondContact OE1-NH2 3.34Å; E716-R787 IonicContact OE2-CZ 2.81Å; E716-R787 IonicContact OE2-NE 3.97Å; E716-R787 PolarHBondContact OE2-NE 3.4Å; E716-R787 IonicContact OE2-NH2 3.16Å; E716-R787 PolarHBondContact OE2-NH2 3.02Å; C719-R787 HydrophobicContact CB-CG 3.73Å; T783-R787 CarbonylContact O-C 3.51Å; T783-R787 WeakPolarHBondContact O-CA 3.2Å; T783-R787 WeakPolarHBondContact O-CB 3.02Å; T783-R787 PolarHBondContact O-N 2.92Å; T783-R787 VanDerWaalsContact O-N 3.11Å; R787-I791 WeakPolarHBondContact O-CD1 3.45Å; R787-D1255 IonicContact CZ-OD2 2.75Å; R787-D1255 IonicContact NH1-OD2 3.19Å; R787-D1255 PolarHBondContact NH1-OD2 3.19Å; R787-S1258 VanDerWaalsContact NH2-CB 3.27Å; R787-S1258 PolarHBondContact NH2-OG 3.49Å; R787-Y1308 HydrophobicContact CB-CD1 4.34Å; R787-Y1308 HydrophobicContact CB-CD2 4.29Å; R787-Y1308 HydrophobicContact CB-CE1 4.12Å; R787-Y1308 HydrophobicContact CB-CE2 4.07Å; R787-Y1308 HydrophobicContact CB-CG 4.42Å; R787-Y1308 HydrophobicContact CG-CE1 4.02Å; R787-Y1308 HydrophobicContact CG-CE2 4.39Å; R787-R1351 PolarHBondContact O-NH1 2.82Å; R787-Y1559 PolarHBondContact NH2-OH 2.63Å
788L85.8Confident83.1Confident1 Ų19.8 Ų9.81%0.0055%0.05CC..Iπ-helixtrans-102.6-34.2-171.1-62.3172.8000115.2C719 L722 T783 L784 D790 I791 L792C719-L788 HydrophobicContact CB-CD2 4.46Å; L722-L788 HydrophobicContact CB-CD2 4.34Å; L722-L788 HydrophobicContact CD1-CD1 3.93Å; T783-L788 PolarHBondContact O-N 3.02Å; L784-L788 HydrophobicContact CD2-CD1 4.13Å; L784-L788 CarbonylContact O-C 3.56Å; L784-L788 PolarHBondContact O-N 2.89Å; L788-D790 VanDerWaalsContact C-N 3.28Å; L788-D790 PolarHBondContact O-N 3.31Å; L788-I791 WeakPolarHBondContact O-CA 3.32Å; L788-I791 WeakPolarHBondContact O-CB 3.43Å; L788-I791 PolarHBondContact O-N 3.4Å; L788-L792 HydrophobicContact CB-CD1 4.22Å; L788-L792 HydrophobicContact CB-CG 4.22Å; L788-L792 WeakPolarHBondContact O-CG 3.37Å; L788-L792 PolarHBondContact O-N 3.25Å; L788-L792 VanDerWaalsContact O-N 3.1Å
789A84.6Confident82.6Confident0 Ų013 Ų130%07%0.065CC..THydrogen-bonded Turntrans-48.7-40.8-168.400000115.5L784 G785 K849 F850L784-A789 WeakPolarHBondContact O-CB 3.31Å; L784-A789 PolarHBondContact O-N 3.45Å; G785-A789 WeakPolarHBondContact O-CB 3.38Å; A789-K849 HydrophobicContact CB-CG 4.15Å; A789-F850 HydrophobicContact CB-CD1 4.34Å; A789-F850 HydrophobicContact CB-CD2 4.49Å; A789-F850 HydrophobicContact CB-CE1 3.84Å; A789-F850 HydrophobicContact CB-CE2 4.01Å; A789-F850 HydrophobicContact CB-CZ 3.65Å
790D79Confident82.4Confident21 Ų2112.4 Ų12.411%0.1126%0.062CC..THydrogen-bonded Turntrans-85.3-13179.8-63-38.3000114.5L788 K849 R1351 R1352L788-D790 VanDerWaalsContact C-N 3.28Å; L788-D790 PolarHBondContact O-N 3.31Å; D790-K849 WeakPolarHBondContact OD1-CE 3.28Å; D790-K849 IonicContact OD1-NZ 3.91Å; D790-K849 PolarHBondContact OD1-NZ 2.82Å; D790-K849 WeakPolarHBondContact OD2-CE 3.41Å; D790-K849 IonicContact OD2-NZ 3.03Å; D790-K849 PolarHBondContact OD2-NZ 3.31Å; D790-R1351 HydrophobicContact CB-CB 3.94Å; D790-R1352 PolarHBondContact O-NE 2.86Å; D790-R1352 PolarHBondContact O-NH2 3.27Å
791I78.2Confident82.1Confident18 Ų1812.4 Ų12.49%0.0926%0.062CC..THydrogen-bonded Turntrans-89.2-38.9179.4-58175.2000110.6A723 R787 L788 Y1559A723-I791 HydrophobicContact CB-CG2 4.02Å; R787-I791 WeakPolarHBondContact O-CD1 3.45Å; L788-I791 WeakPolarHBondContact O-CA 3.32Å; L788-I791 WeakPolarHBondContact O-CB 3.43Å; L788-I791 PolarHBondContact O-N 3.4Å; I791-Y1559 HydrophobicContact CD1-CD1 4.08Å; I791-Y1559 HydrophobicContact CD1-CE1 3.7Å; I791-Y1559 HydrophobicContact CG1-CD1 4.22Å; I791-Y1559 HydrophobicContact CG1-CE1 4.34Å
792L78.7Confident81.7Confident3 Ų314.6 Ų14.62%0.0168%0.075CC..SBendtrans-56.1146.7-174-67.2173.4000112.6E728 V732 L788 V796 R797 F850E728-L792 HydrophobicContact CG-CD2 3.88Å; E728-L792 WeakPolarHBondContact OE1-CA 3.47Å; V732-L792 HydrophobicContact CG2-CD2 3.64Å; L788-L792 HydrophobicContact CB-CD1 4.22Å; L788-L792 HydrophobicContact CB-CG 4.22Å; L788-L792 WeakPolarHBondContact O-CG 3.37Å; L788-L792 PolarHBondContact O-N 3.25Å; L788-L792 VanDerWaalsContact O-N 3.1Å; L792-V796 HydrophobicContact CB-CG1 4.41Å; L792-V796 HydrophobicContact CD1-CG1 4.21Å; L792-V796 HydrophobicContact CD2-CG1 4.04Å; L792-V796 HydrophobicContact CG-CG1 4.44Å; L792-R797 HydrophobicContact CB-CG 4.19Å; L792-R797 VanDerWaalsContact O-CZ 3.25Å; L792-R797 PolarHBondContact O-NE 3.32Å; L792-R797 PolarHBondContact O-NH2 2.98Å; L792-F850 HydrophobicContact CD1-CE1 4.11Å; L792-F850 HydrophobicContact CD1-CZ 4.14Å
793T72.4Confident81.3Confident20 Ų2016.1 Ų16.112%0.1239%0.086CC..  trans-57.8152.1172.144.40000112.4E728 E795 V796 R797E728-T793 WeakPolarHBondContact OE1-CB 3.22Å; E728-T793 PolarHBondContact OE1-N 3Å; E728-T793 PolarHBondContact OE1-OG1 3.02Å; T793-E795 VanDerWaalsContact C-N 3.31Å; T793-E795 PolarHBondContact O-N 3.46Å; T793-V796 PolarHBondContact O-N 2.98Å; T793-V796 WeakPolarHBondContact OG1-CB 3.45Å; T793-V796 WeakPolarHBondContact OG1-CG2 3.22Å; T793-R797 PolarHBondContact O-N 2.93Å
794P69.6Low81.1Confident5 Ų516 Ų163%0.0329%0.085CC..Hα-helixtrans-46-48.1177.4-35.341000115.4R797 I798 D858 Y862P794-R797 WeakPolarHBondContact O-CB 3.34Å; P794-R797 PolarHBondContact O-N 3.31Å; P794-I798 WeakPolarHBondContact O-CG1 3.5Å; P794-I798 PolarHBondContact O-N 3.36Å; P794-I798 VanDerWaalsContact O-N 3.15Å; P794-D858 HydrophobicContact CG-CB 3.96Å; P794-D858 WeakPolarHBondContact CG-O 3.38Å; P794-Y862 HydrophobicContact CG-CD2 4.21Å
795E67.9Low80.9Confident68 Ų6816 Ų1632%0.3189%0.086SC..Hα-helixtrans-68.2-43.8-175.8-55.368.9-148.500110.1T793 I798 H799T793-E795 VanDerWaalsContact C-N 3.31Å; T793-E795 PolarHBondContact O-N 3.46Å; E795-I798 PolarHBondContact O-N 3.44Å; E795-H799 VanDerWaalsContact O-CB 3.32Å; E795-H799 WeakPolarHBondContact O-CB 3.42Å; E795-H799 PolarHBondContact O-N 3.36Å
796V77.2Confident80.5Confident8 Ų817.4 Ų17.45%0.04810%0.099CC..Hα-helixtrans-69.1-34.3179-179.60000110.9V732 L792 T793 T800V732-V796 HydrophobicContact CB-CG1 3.84Å; V732-V796 HydrophobicContact CG1-CG1 3.57Å; V732-V796 HydrophobicContact CG2-CG1 4.16Å; L792-V796 HydrophobicContact CB-CG1 4.41Å; L792-V796 HydrophobicContact CD1-CG1 4.21Å; L792-V796 HydrophobicContact CD2-CG1 4.04Å; L792-V796 HydrophobicContact CG-CG1 4.44Å; T793-V796 PolarHBondContact O-N 2.98Å; T793-V796 WeakPolarHBondContact OG1-CB 3.45Å; T793-V796 WeakPolarHBondContact OG1-CG2 3.22Å; V796-T800 WeakPolarHBondContact O-CB 3.49Å; V796-T800 PolarHBondContact O-N 3.07Å; V796-T800 PolarHBondContact O-OG1 3.1Å
797R81.7Confident80.2Confident0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-58.6-49.9170.6-94.9176.3-88.3154.9-9.3112L792 T793 P794 T800 L801 F850 S853 D858 C859L792-R797 HydrophobicContact CB-CG 4.19Å; L792-R797 VanDerWaalsContact O-CZ 3.25Å; L792-R797 PolarHBondContact O-NE 3.32Å; L792-R797 PolarHBondContact O-NH2 2.98Å; T793-R797 PolarHBondContact O-N 2.93Å; P794-R797 WeakPolarHBondContact O-CB 3.34Å; P794-R797 PolarHBondContact O-N 3.31Å; R797-T800 PolarHBondContact O-N 3.5Å; R797-L801 PolarHBondContact O-N 3.3Å; R797-F850 HydrophobicContact CB-CD1 4.45Å; R797-F850 HydrophobicContact CG-CD1 4.08Å; R797-F850 HydrophobicContact CG-CE1 4.05Å; R797-S853 VanDerWaalsContact CD-OG 3.3Å; R797-S853 WeakPolarHBondContact CD-OG 3.25Å; R797-S853 PolarHBondContact NH1-O 3.47Å; R797-D858 IonicContact CZ-OD1 3.16Å; R797-D858 IonicContact CZ-OD2 2.81Å; R797-D858 IonicContact NH1-OD1 2.72Å; R797-D858 PolarHBondContact NH1-OD1 3.17Å; R797-D858 IonicContact NH1-OD2 3.26Å; R797-D858 PolarHBondContact NH1-OD2 3.47Å; R797-D858 IonicContact NH2-OD1 2.71Å; R797-D858 IonicContact NH2-OD2 3.5Å; R797-D858 PolarHBondContact NH2-OD2 3.47Å; R797-C859 PolarHBondContact NH1-SG 3.36Å
798I77.4Confident79.9Confident8 Ų817.3 Ų17.34%0.04110%0.1CC..Hα-helixtrans-69.6-42.9-177.6-66161.3000110.9P794 E795 T800 L801 T802 I854 F864 A867P794-I798 WeakPolarHBondContact O-CG1 3.5Å; P794-I798 PolarHBondContact O-N 3.36Å; P794-I798 VanDerWaalsContact O-N 3.15Å; E795-I798 PolarHBondContact O-N 3.44Å; I798-T800 VanDerWaalsContact C-N 3.3Å; I798-T800 PolarHBondContact O-N 3.37Å; I798-L801 PolarHBondContact O-N 3Å; I798-T802 PolarHBondContact O-N 3.22Å; I798-T802 PolarHBondContact O-OG1 3.48Å; I798-I854 HydrophobicContact CG1-CD1 3.91Å; I798-I854 HydrophobicContact CG1-CG1 3.95Å; I798-F864 HydrophobicContact CD1-CB 3.95Å; I798-F864 HydrophobicContact CD1-CD2 4.2Å; I798-A867 HydrophobicContact CG2-CB 4.01Å
799H78.3Confident79.4Confident84 Ų8420 Ų2039%0.38911%0.112SC..Hα-helixtrans-60.9-38.5172.7-176.7-79.3000112.2N733 E795 T802 S803N733-H799 PolarHBondContact OD1-CE1 3.24Å; N733-H799 PolarHBondContact OD1-ND1 3.35Å; E795-H799 VanDerWaalsContact O-CB 3.32Å; E795-H799 WeakPolarHBondContact O-CB 3.42Å; E795-H799 PolarHBondContact O-N 3.36Å; H799-T802 PolarHBondContact O-OG1 2.87Å; H799-T802 VanDerWaalsContact O-OG1 3.1Å; H799-S803 PolarHBondContact CE1-OG 2.97Å; H799-S803 PolarHBondContact ND1-OG 2.89Å; H799-S803 WeakPolarHBondContact O-CB 3.34Å; H799-S803 PolarHBondContact O-N 3.35Å; H799-S803 PolarHBondContact O-OG 2.78Å
800T84.9Confident79.1Confident0 Ų023.8 Ų23.80%013%0.131CC..Hα-helixtrans-66.5-46.1175.9-61.90000110.7L736 V796 R797 I798 T802 S803 L804 F850L736-T800 HydrophobicContact CD2-CG2 4.17Å; V796-T800 WeakPolarHBondContact O-CB 3.49Å; V796-T800 PolarHBondContact O-N 3.07Å; V796-T800 PolarHBondContact O-OG1 3.1Å; R797-T800 PolarHBondContact O-N 3.5Å; I798-T800 VanDerWaalsContact C-N 3.3Å; I798-T800 PolarHBondContact O-N 3.37Å; T800-T802 PolarHBondContact O-N 3.13Å; T800-S803 PolarHBondContact O-N 2.82Å; T800-L804 HydrophobicContact CG2-CD1 3.79Å; T800-L804 HydrophobicContact CG2-CG 4.14Å; T800-L804 WeakPolarHBondContact O-CB 3.43Å; T800-L804 VanDerWaalsContact O-CG 3.24Å; T800-L804 WeakPolarHBondContact O-CG 3.39Å; T800-L804 PolarHBondContact O-N 2.87Å; T800-F850 HydrophobicContact CG2-CD1 4.33Å; T800-F850 HydrophobicContact CG2-CD2 4.2Å; T800-F850 HydrophobicContact CG2-CE1 3.8Å; T800-F850 HydrophobicContact CG2-CE2 3.68Å; T800-F850 HydrophobicContact CG2-CZ 3.46Å; T800-F850 VanDerWaalsContact CG2-CZ 3.46Å
801L85.6Confident79Confident3 Ų323 Ų232%0.01613%0.127CC..Hα-helixtrans-58-49.4176.7179.661.6000112R797 I798 S803 L804 I805 I847 F850 I854 F975R797-L801 PolarHBondContact O-N 3.3Å; I798-L801 PolarHBondContact O-N 3Å; L801-S803 VanDerWaalsContact C-N 3.32Å; L801-S803 PolarHBondContact O-N 1.78Å; L801-L804 PolarHBondContact O-N 3.21Å; L801-I805 HydrophobicContact CD1-CD1 3.88Å; L801-I805 HydrophobicContact CD1-CG1 4.27Å; L801-I805 HydrophobicContact CG-CD1 3.97Å; L801-I805 WeakPolarHBondContact O-CG1 3.26Å; L801-I805 PolarHBondContact O-N 3.15Å; L801-I847 HydrophobicContact CD1-CB 4.3Å; L801-I847 HydrophobicContact CD1-CG1 4.35Å; L801-I847 HydrophobicContact CD1-CG2 3.93Å; L801-F850 HydrophobicContact CB-CB 4.2Å; L801-F850 HydrophobicContact CD1-CB 4.01Å; L801-I854 HydrophobicContact CB-CD1 4.26Å; L801-I854 HydrophobicContact CD2-CD1 3.35Å; L801-I854 HydrophobicContact CG-CD1 4.43Å; L801-F975 HydrophobicContact CD2-CD1 4.12Å; L801-F975 HydrophobicContact CD2-CE1 3.99Å
802T80.7Confident78.6Confident46 Ų4623.3 Ų23.328%0.28213%0.13SC..Hα-helixtrans-65.8-35.9179.554.20000112I798 H799 T800 G806 P974 F975I798-T802 PolarHBondContact O-N 3.22Å; I798-T802 PolarHBondContact O-OG1 3.48Å; H799-T802 PolarHBondContact O-OG1 2.87Å; H799-T802 VanDerWaalsContact O-OG1 3.1Å; T800-T802 PolarHBondContact O-N 3.13Å; T802-G806 PolarHBondContact O-N 3.49Å; T802-P974 HydrophobicContact CG2-CB 4.12Å; T802-F975 HydrophobicContact CG2-CE1 3.98Å
803S83.7Confident78.1Confident34 Ų3428 Ų2824%0.23816%0.156CC..Hα-helixtrans-65.5-41.5173.1-61.60000112.6H799 T800 L801 G806 L807H799-S803 PolarHBondContact CE1-OG 2.97Å; H799-S803 PolarHBondContact ND1-OG 2.89Å; H799-S803 WeakPolarHBondContact O-CB 3.34Å; H799-S803 PolarHBondContact O-N 3.35Å; H799-S803 PolarHBondContact O-OG 2.78Å; T800-S803 PolarHBondContact O-N 2.82Å; L801-S803 VanDerWaalsContact C-N 3.32Å; L801-S803 PolarHBondContact O-N 1.78Å; S803-G806 PolarHBondContact O-N 3.16Å; S803-L807 WeakPolarHBondContact O-CB 3.45Å; S803-L807 PolarHBondContact O-N 3.12Å
804L86.1Confident77.7Confident0 Ų030.9 Ų30.90%016%0.164CC..Hα-helixtrans-67.1-39.8177.1-70.4171.3000111.6L781 T800 L801 G806 L807 V808 L843 N846 I847 F850L781-L804 HydrophobicContact CD2-CD2 4.01Å; T800-L804 HydrophobicContact CG2-CD1 3.79Å; T800-L804 HydrophobicContact CG2-CG 4.14Å; T800-L804 WeakPolarHBondContact O-CB 3.43Å; T800-L804 VanDerWaalsContact O-CG 3.24Å; T800-L804 WeakPolarHBondContact O-CG 3.39Å; T800-L804 PolarHBondContact O-N 2.87Å; L801-L804 PolarHBondContact O-N 3.21Å; L804-G806 VanDerWaalsContact C-N 3.35Å; L804-L807 WeakPolarHBondContact O-CB 3.41Å; L804-L807 PolarHBondContact O-N 2.98Å; L804-V808 WeakPolarHBondContact O-CG2 3.26Å; L804-V808 PolarHBondContact O-N 3.27Å; L804-L843 HydrophobicContact CB-CD1 4.17Å; L804-L843 HydrophobicContact CD2-CD1 3.71Å; L804-L843 HydrophobicContact CG-CD1 4.47Å; L804-N846 HydrophobicContact CD1-CB 4.1Å; L804-I847 HydrophobicContact CB-CD1 4.41Å; L804-I847 HydrophobicContact CB-CG1 3.97Å; L804-F850 HydrophobicContact CD1-CD2 3.63Å; L804-F850 HydrophobicContact CD1-CE2 3.88Å
805I83.3Confident77.1Confident1 Ų133.4 Ų33.41%0.00518%0.182CC..Hα-helixtrans-66.7-37.7173.6-67172.3000110.9L801 L807 V808 K809 I847 P974 F975 M977L801-I805 HydrophobicContact CD1-CD1 3.88Å; L801-I805 HydrophobicContact CD1-CG1 4.27Å; L801-I805 HydrophobicContact CG-CD1 3.97Å; L801-I805 WeakPolarHBondContact O-CG1 3.26Å; L801-I805 PolarHBondContact O-N 3.15Å; I805-L807 VanDerWaalsContact C-N 3.32Å; I805-V808 PolarHBondContact O-N 3.24Å; I805-K809 WeakPolarHBondContact O-CG 3.46Å; I805-K809 PolarHBondContact O-N 3.45Å; I805-K809 VanDerWaalsContact O-N 3.1Å; I805-I847 HydrophobicContact CD1-CG2 4.45Å; I805-I847 HydrophobicContact CG1-CD1 3.97Å; I805-I847 HydrophobicContact CG1-CG1 4.21Å; I805-I847 HydrophobicContact CG1-CG2 4.27Å; I805-P974 WeakPolarHBondContact CG2-O 3.45Å; I805-F975 HydrophobicContact CD1-CD1 4.21Å; I805-M977 HydrophobicContact CG1-CG 4.45Å; I805-M977 HydrophobicContact CG1-SD 4.47Å; I805-M977 HydrophobicContact CG2-CG 4Å
806G79.6Confident76.3Confident29 Ų2932.2 Ų32.230%0.29918%0.18SC..Hα-helixtrans-60.9-39.5169.500000112.8T802 S803 L804 K809 L810T802-G806 PolarHBondContact O-N 3.49Å; S803-G806 PolarHBondContact O-N 3.16Å; L804-G806 VanDerWaalsContact C-N 3.35Å; G806-K809 WeakPolarHBondContact O-CB 3.39Å; G806-K809 PolarHBondContact O-N 2.7Å; G806-L810 WeakPolarHBondContact O-CG 2.93Å; G806-L810 PolarHBondContact O-N 2.94Å
807L83.2Confident74.6Confident6 Ų636.4 Ų36.43%0.03121%0.209CC..Hα-helixtrans-69-37.5177.2-174.8148.7000112.3L739 T740 S803 L804 I805 K809 L810 W811 L843L739-L807 HydrophobicContact CB-CD1 3.9Å; T740-L807 HydrophobicContact CG2-CD1 4.49Å; S803-L807 WeakPolarHBondContact O-CB 3.45Å; S803-L807 PolarHBondContact O-N 3.12Å; L804-L807 WeakPolarHBondContact O-CB 3.41Å; L804-L807 PolarHBondContact O-N 2.98Å; I805-L807 VanDerWaalsContact C-N 3.32Å; L807-K809 VanDerWaalsContact C-N 3.35Å; L807-K809 PolarHBondContact O-N 3.35Å; L807-L810 PolarHBondContact O-N 3.33Å; L807-W811 HydrophobicContact CD2-CD2 3.77Å; L807-W811 HydrophobicContact CD2-CE3 4.26Å; L807-W811 HydrophobicContact CD2-CG 4.26Å; L807-W811 HydrophobicContact CD2-CH2 4.09Å; L807-W811 HydrophobicContact CD2-CZ2 3.57Å; L807-W811 HydrophobicContact CD2-CZ3 4.41Å; L807-W811 HydrophobicContact CG-CZ2 4.5Å; L807-W811 WeakPolarHBondContact O-CB 3.37Å; L807-W811 PolarHBondContact O-N 3.34Å; L807-L843 HydrophobicContact CD2-CD1 3.93Å; L807-L843 HydrophobicContact CD2-CD2 3.4Å; L807-L843 VanDerWaalsContact CD2-CD2 3.4Å; L807-L843 HydrophobicContact CD2-CG 4.33Å
808V81Confident72.6Confident8 Ų841.6 Ų41.65%0.04824%0.241CC..Hα-helixtrans-58.1-46.1167.9173.30000111.1L804 I805 L810 W811 S812 L843 I847 M977L804-V808 WeakPolarHBondContact O-CG2 3.26Å; L804-V808 PolarHBondContact O-N 3.27Å; I805-V808 PolarHBondContact O-N 3.24Å; V808-L810 VanDerWaalsContact C-N 3.31Å; V808-L810 PolarHBondContact O-N 2.86Å; V808-W811 PolarHBondContact O-N 2.96Å; V808-S812 PolarHBondContact O-N 3.46Å; V808-S812 PolarHBondContact O-OG 3.06Å; V808-L843 HydrophobicContact CB-CD2 4.44Å; V808-L843 HydrophobicContact CG2-CD1 4.31Å; V808-L843 HydrophobicContact CG2-CD2 3.43Å; V808-L843 VanDerWaalsContact CG2-CD2 3.43Å; V808-L843 HydrophobicContact CG2-CG 3.66Å; V808-I847 HydrophobicContact CG2-CD1 3.46Å; V808-I847 VanDerWaalsContact CG2-CD1 3.46Å; V808-M977 HydrophobicContact CB-CE 4.5Å; V808-M977 HydrophobicContact CG1-CE 3.91Å; V808-M977 HydrophobicContact CG1-CG 4.25Å; V808-M977 HydrophobicContact CG2-CE 4.09Å
809K75.2Confident70.9Confident59 Ų5946.7 Ų46.726%0.25727%0.268SS..Hα-helixtrans-61.9-38.4178.9-70.3172-178177.90112.1I805 G806 L807 S812 N813 Y973 L976I805-K809 WeakPolarHBondContact O-CG 3.46Å; I805-K809 PolarHBondContact O-N 3.45Å; I805-K809 VanDerWaalsContact O-N 3.1Å; G806-K809 WeakPolarHBondContact O-CB 3.39Å; G806-K809 PolarHBondContact O-N 2.7Å; L807-K809 VanDerWaalsContact C-N 3.35Å; L807-K809 PolarHBondContact O-N 3.35Å; K809-S812 WeakPolarHBondContact CA-OG 3.41Å; K809-S812 PolarHBondContact O-OG 2.8Å; K809-N813 WeakPolarHBondContact O-CB 3.46Å; K809-N813 PolarHBondContact O-N 2.88Å; K809-N813 VanDerWaalsContact O-N 3.17Å; K809-N813 PolarHBondContact O-ND2 3.42Å; K809-N813 PolarHBondContact O-OD1 3.48Å; K809-Y973 PolarHBondContact NZ-O 2.92Å; K809-L976 WeakPolarHBondContact CE-O 3.49Å; K809-L976 PolarHBondContact NZ-O 3.25Å
810L77.7Confident68.9Low78 Ų7848.9 Ų48.941%0.40828%0.282SS..Hα-helixtrans-63.8-46.6173.3-70.4167.8000111.3G806 L807 V808 N813 W814G806-L810 WeakPolarHBondContact O-CG 2.93Å; G806-L810 PolarHBondContact O-N 2.94Å; L807-L810 PolarHBondContact O-N 3.33Å; V808-L810 VanDerWaalsContact C-N 3.31Å; V808-L810 PolarHBondContact O-N 2.86Å; L810-N813 PolarHBondContact O-N 3.19Å; L810-W814 PolarHBondContact O-N 3.5Å
811W76.7Confident66.4Low5 Ų555.8 Ų55.82%0.01932%0.319CS..Hα-helixtrans-65.2-38.8179.1-75.115.1000112.9P744 V777 L781 L807 V808 N813 W814 S815 I835 L839 L843P744-W811 HydrophobicContact CG-CH2 4.15Å; P744-W811 HydrophobicContact CG-CZ2 3.53Å; V777-W811 HydrophobicContact CG1-CH2 4Å; V777-W811 HydrophobicContact CG1-CZ2 4.02Å; L781-W811 HydrophobicContact CD1-CH2 4.13Å; L807-W811 HydrophobicContact CD2-CD2 3.77Å; L807-W811 HydrophobicContact CD2-CE3 4.26Å; L807-W811 HydrophobicContact CD2-CG 4.26Å; L807-W811 HydrophobicContact CD2-CH2 4.09Å; L807-W811 HydrophobicContact CD2-CZ2 3.57Å; L807-W811 HydrophobicContact CD2-CZ3 4.41Å; L807-W811 HydrophobicContact CG-CZ2 4.5Å; L807-W811 WeakPolarHBondContact O-CB 3.37Å; L807-W811 PolarHBondContact O-N 3.34Å; V808-W811 PolarHBondContact O-N 2.96Å; W811-N813 VanDerWaalsContact C-N 3.3Å; W811-N813 PolarHBondContact O-N 3.17Å; W811-W814 AromaticContact CD1-CE3 3.77Å; W811-W814 AromaticContact CD1-CZ3 3.44Å; W811-W814 VanDerWaalsContact CD1-CZ3 3.44Å; W811-W814 HydrophobicContact CG-CE3 4.49Å; W811-W814 HydrophobicContact CG-CZ3 4.47Å; W811-W814 AromaticContact NE1-CZ3 3.66Å; W811-W814 PolarHBondContact O-N 2.93Å; W811-S815 PolarHBondContact O-N 2.99Å; W811-I835 HydrophobicContact CB-CD1 3.48Å; W811-I835 VanDerWaalsContact CB-CD1 3.48Å; W811-I835 HydrophobicContact CD2-CD1 3.92Å; W811-I835 HydrophobicContact CE3-CD1 4.15Å; W811-I835 HydrophobicContact CE3-CG2 3.94Å; W811-I835 HydrophobicContact CG-CD1 3.65Å; W811-I835 HydrophobicContact CZ3-CG2 4.06Å; W811-L839 HydrophobicContact CH2-CB 4.37Å; W811-L839 HydrophobicContact CZ3-CB 4.22Å; W811-L843 HydrophobicContact CD2-CD2 4.07Å; W811-L843 HydrophobicContact CE3-CD2 3.44Å; W811-L843 VanDerWaalsContact CE3-CD2 3.44Å; W811-L843 HydrophobicContact CH2-CD2 4.15Å; W811-L843 HydrophobicContact CZ3-CB 4.25Å; W811-L843 HydrophobicContact CZ3-CD2 3.5Å; W811-L843 VanDerWaalsContact CZ3-CD2 3.5Å
812S69.7Low63.9Low24 Ų2465 Ų6517%0.16836%0.359CS..Hα-helixtrans-68.1-28.9174.861.30000113.1V808 K809 S815 T816V808-S812 PolarHBondContact O-N 3.46Å; V808-S812 PolarHBondContact O-OG 3.06Å; K809-S812 WeakPolarHBondContact CA-OG 3.41Å; K809-S812 PolarHBondContact O-OG 2.8Å; S812-S815 PolarHBondContact O-OG 3.06Å; S812-T816 WeakPolarHBondContact O-CG2 3.39Å; S812-T816 PolarHBondContact O-N 3.08Å; S812-T816 PolarHBondContact O-OG1 2.92Å; S812-T816 VanDerWaalsContact O-OG1 3.08Å
813N68Low61.5Low102 Ų10269.7 Ų69.755%0.54538%0.378SS..Hα-helixtrans-76.1-26.8176.6-69.8-5000112.4K809 L810 W811 T816K809-N813 WeakPolarHBondContact O-CB 3.46Å; K809-N813 PolarHBondContact O-N 2.88Å; K809-N813 VanDerWaalsContact O-N 3.17Å; K809-N813 PolarHBondContact O-ND2 3.42Å; K809-N813 PolarHBondContact O-OD1 3.48Å; L810-N813 PolarHBondContact O-N 3.19Å; W811-N813 VanDerWaalsContact C-N 3.3Å; W811-N813 PolarHBondContact O-N 3.17Å; N813-T816 WeakPolarHBondContact CA-OG1 3.43Å; N813-T816 PolarHBondContact O-OG1 3.14Å
814W64.7Low59.1Low80 Ų8073.5 Ų73.530%0.30340%0.401SS..Hα-helixtrans-69.6-39.5172.4-64-18.6000111.4Q743 L810 W811 S817Q743-W814 HydrophobicContact CG-CH2 3.94Å; Q743-W814 HydrophobicContact CG-CZ2 4.33Å; L810-W814 PolarHBondContact O-N 3.5Å; W811-W814 AromaticContact CD1-CE3 3.77Å; W811-W814 AromaticContact CD1-CZ3 3.44Å; W811-W814 VanDerWaalsContact CD1-CZ3 3.44Å; W811-W814 HydrophobicContact CG-CE3 4.49Å; W811-W814 HydrophobicContact CG-CZ3 4.47Å; W811-W814 AromaticContact NE1-CZ3 3.66Å; W811-W814 PolarHBondContact O-N 2.93Å; W814-S817 PolarHBondContact O-OG 3.49Å
815S57.3Low56.6Low59 Ų5980.9 Ų80.941%0.41343%0.434SS..Hα-helixtrans-80.2-21.1-178.959.50000115.6W811 S812W811-S815 PolarHBondContact O-N 2.99Å; S812-S815 PolarHBondContact O-OG 3.06Å
816T50Low54.2Low43 Ų4388.5 Ų88.526%0.26447%0.474SS..Hα-helixtrans-78.9-20.5178.541.30000114.9S812 N813 V818S812-T816 WeakPolarHBondContact O-CG2 3.39Å; S812-T816 PolarHBondContact O-N 3.08Å; S812-T816 PolarHBondContact O-OG1 2.92Å; S812-T816 VanDerWaalsContact O-OG1 3.08Å; N813-T816 WeakPolarHBondContact CA-OG1 3.43Å; N813-T816 PolarHBondContact O-OG1 3.14Å; T816-V818 PolarHBondContact O-N 3.44Å
817S41.7Very low51.9Low96 Ų9693.6 Ų93.667%0.67149%0.494SS*.THydrogen-bonded Turntrans-65.9-3.3-165.863.80000116.9W814W814-S817 PolarHBondContact O-OG 3.49Å
818V40Very low49.4Very low108 Ų10899.5 Ų99.566%0.65553%0.534SS*.THydrogen-bonded Turntrans-119.2-18.9-168-175.70000114.7T816T816-V818 PolarHBondContact O-N 3.44Å
819L40.9Very low47Very low116 Ų116107.2 Ų107.261%0.60758%0.575SS**THydrogen-bonded Turntrans-109.1-19.2-161.7-90.9152.7000117.8N821L819-N821 PolarHBondContact O-N 3.31Å
820D36Very low44.9Very low129 Ų129107.2 Ų107.269%0.6959%0.592SS**THydrogen-bonded Turntrans-84.513.9-164.9-80.5-18.7000117.1
821N33.3Very low42.9Very low146 Ų146106.2 Ų106.278%0.78160%0.6SS**THydrogen-bonded Turntrans-132.17.8-171.3-88.9-50000117.9L819L819-N821 PolarHBondContact O-N 3.31Å
822K33.4Very low41.6Very low195 Ų195108.6 Ų108.685%0.84862%0.616SS**SBendtrans-143.6142173.1-70.6-172.8179.4174.30112.5
823E30.3Very low40.7Very low146 Ų146110.7 Ų110.768%0.68263%0.63SS**  trans-54.4137.1173.1-66-170.2163.100111.5K825E823-K825 PolarHBondContact O-N 3.46Å; E823-K825 IonicContact OE2-NZ 2.81Å; E823-K825 PolarHBondContact OE2-NZ 3.25Å
824P33.6Very low40.5Very low113 Ų113109 Ų10973%0.73462%0.619SS**SBendtrans-77.986.3-177.932.3-35000110.6L827P824-L827 HydrophobicContact CB-CD1 4.11Å
825K33.6Very low40.9Very low156 Ų156106.5 Ų106.568%0.67861%0.611SS**SBendtrans-122.3-9.2173.4-78.3177.2-177.4142.70115.6E823E823-K825 PolarHBondContact O-N 3.46Å; E823-K825 IonicContact OE2-NZ 2.81Å; E823-K825 PolarHBondContact OE2-NZ 3.25Å
826N31.6Very low41.8Very low160 Ų160104.7 Ų104.786%0.85660%0.598SS**  trans-145.280174.5-74.1-39.5000111C828N826-C828 PolarHBondContact O-N 2.98Å
827L31.1Very low43.1Very low137 Ų137103.5 Ų103.572%0.71759%0.59SS**  trans-88.490.7165.2-92.182.4000109.2P824P824-L827 HydrophobicContact CB-CD1 4.11Å
828C31.4Very low44.9Very low130 Ų130100.8 Ų100.888%0.87857%0.567SS**SBendtrans-160.2-13168.1-98.90000115.6N826N826-C828 PolarHBondContact O-N 2.98Å
829D31.5Very low46.9Very low170 Ų17095.7 Ų95.791%0.90954%0.536SS*.SBendtrans-125.931.2-156.2-114.1-7.5000115.4
830G29.4Very low48.9Very low59 Ų5991.3 Ų91.361%0.60851%0.512SS*.SBendtrans-152.6118.3176.500000112.5T832G830-T832 PolarHBondContact O-N 3.04Å
831G36.4Very low51.3Low56 Ų5686 Ų8658%0.57748%0.483SS*.  trans-65.7100.3179.900000111.9
832T49Very low53.9Low56 Ų5679.6 Ų79.634%0.34445%0.448SS..  trans-78.8127.6174.749.80000110.2G830 E834G830-T832 PolarHBondContact O-N 3.04Å; T832-E834 WeakPolarHBondContact CB-OE1 3.33Å; T832-E834 PolarHBondContact O-N 2.89Å; T832-E834 PolarHBondContact OG1-OE1 2.96Å
833S50.8Low56.5Low67 Ų6770.3 Ų70.347%0.46941%0.408SS..EExtended strand (participates in β ladder)trans-85.9105.4170.958.30000109.4W746W746-S833 CarbonylContact O-C 3.58Å; W746-S833 WeakPolarHBondContact O-CA 3.35Å
834E63.8Low59.3Low66 Ų6663.4 Ų63.431%0.30838%0.375SS..EExtended strand (participates in β ladder)trans-112.5156.7-173.3-69.2-177.5-148.400112W746 T832W746-E834 WeakPolarHBondContact CB-O 3.47Å; W746-E834 PolarHBondContact N-O 2.73Å; W746-E834 VanDerWaalsContact N-O 3.1Å; W746-E834 PolarHBondContact O-N 3.48Å; W746-E834 VanDerWaalsContact O-N 3.16Å; T832-E834 WeakPolarHBondContact CB-OE1 3.33Å; T832-E834 PolarHBondContact O-N 2.89Å; T832-E834 PolarHBondContact OG1-OE1 2.96Å
835I74.3Confident62Low28 Ų2858.4 Ų58.414%0.14434%0.342CS..  trans-89.1126.8178-59.9174.6000107.4W811 I837 L839W811-I835 HydrophobicContact CB-CD1 3.48Å; W811-I835 VanDerWaalsContact CB-CD1 3.48Å; W811-I835 HydrophobicContact CD2-CD1 3.92Å; W811-I835 HydrophobicContact CE3-CD1 4.15Å; W811-I835 HydrophobicContact CE3-CG2 3.94Å; W811-I835 HydrophobicContact CG-CD1 3.65Å; W811-I835 HydrophobicContact CZ3-CG2 4.06Å; I835-I837 PolarHBondContact O-N 3.49Å; I835-L839 HydrophobicContact CG2-CB 4.34Å
836P76Confident64.8Low21 Ų2151 Ų5114%0.13631%0.31CS..  trans-50.9132.8176.7-29.235.4000112.6W746 E838 L839 Q840W746-P836 HydrophobicContact CB-CG 4.25Å; P836-E838 PolarHBondContact O-N 3.37Å; P836-L839 HydrophobicContact CB-CB 4.47Å; P836-L839 HydrophobicContact CB-CD1 4.27Å; P836-L839 HydrophobicContact CB-CG 4.47Å; P836-L839 HydrophobicContact CG-CD1 4.1Å; P836-L839 WeakPolarHBondContact O-CB 3.43Å; P836-L839 PolarHBondContact O-N 3.26Å; P836-Q840 PolarHBondContact O-N 3.4Å
837I77.1Confident67.6Low19 Ų1943.3 Ų43.310%0.09727%0.269CS..Hα-helixtrans-63.9-31.4-173-59.7172.9000110.6I835 L839 Q840 Y841 V1143 W1277I835-I837 PolarHBondContact O-N 3.49Å; I837-L839 VanDerWaalsContact C-N 3.34Å; I837-L839 PolarHBondContact O-N 3.27Å; I837-Q840 PolarHBondContact O-N 2.84Å; I837-Y841 HydrophobicContact CG2-CD1 4.01Å; I837-Y841 HydrophobicContact CG2-CD2 4.07Å; I837-Y841 HydrophobicContact CG2-CE1 3.71Å; I837-Y841 HydrophobicContact CG2-CE2 3.76Å; I837-Y841 HydrophobicContact CG2-CG 4.19Å; I837-Y841 WeakPolarHBondContact O-CB 3.44Å; I837-Y841 PolarHBondContact O-N 3.21Å; I837-V1143 HydrophobicContact CB-CG2 4.46Å; I837-V1143 HydrophobicContact CG1-CG2 4.02Å; I837-V1143 HydrophobicContact CG2-CG2 4Å; I837-W1277 HydrophobicContact CB-CH2 4.15Å; I837-W1277 HydrophobicContact CB-CZ2 3.85Å; I837-W1277 HydrophobicContact CD1-CH2 3.51Å; I837-W1277 HydrophobicContact CD1-CZ2 4.13Å; I837-W1277 HydrophobicContact CD1-CZ3 4.03Å; I837-W1277 HydrophobicContact CG1-CH2 4.41Å; I837-W1277 HydrophobicContact CG2-CH2 3.92Å; I837-W1277 HydrophobicContact CG2-CZ2 3.41Å; I837-W1277 VanDerWaalsContact CG2-CZ2 3.41Å
838E78.7Confident70.5Confident39 Ų3937.1 Ų37.118%0.18224%0.236CC..Hα-helixtrans-62-37.9173.8-57.787.6162.400112.6P836 Y841 L842 W1277P836-E838 PolarHBondContact O-N 3.37Å; E838-Y841 PolarHBondContact O-N 3.39Å; E838-L842 VanDerWaalsContact O-CB 3.26Å; E838-L842 WeakPolarHBondContact O-CB 3.27Å; E838-L842 PolarHBondContact O-N 3.31Å; E838-W1277 HydrophobicContact CG-CG 4.34Å; E838-W1277 WeakPolarHBondContact OE1-CB 3.32Å
839L83.4Confident73.3Confident0 Ų031.7 Ų31.70%020%0.198CC..Hα-helixtrans-69.1-42.3175.4-82.2171.3000111.1P744 C774 V777 F778 L781 W811 I835 P836 I837 L842 L843 L1304P744-L839 HydrophobicContact CB-CD1 4.07Å; C774-L839 HydrophobicContact CB-CD1 4.15Å; V777-L839 HydrophobicContact CB-CD2 4.49Å; V777-L839 HydrophobicContact CG1-CD2 3.97Å; F778-L839 HydrophobicContact CB-CD2 3.86Å; F778-L839 HydrophobicContact CD2-CD2 3.91Å; F778-L839 HydrophobicContact CD2-CG 4.48Å; F778-L839 HydrophobicContact CG-CD2 4.38Å; L781-L839 HydrophobicContact CD1-CD2 4.27Å; W811-L839 HydrophobicContact CH2-CB 4.37Å; W811-L839 HydrophobicContact CZ3-CB 4.22Å; I835-L839 HydrophobicContact CG2-CB 4.34Å; P836-L839 HydrophobicContact CB-CB 4.47Å; P836-L839 HydrophobicContact CB-CD1 4.27Å; P836-L839 HydrophobicContact CB-CG 4.47Å; P836-L839 HydrophobicContact CG-CD1 4.1Å; P836-L839 WeakPolarHBondContact O-CB 3.43Å; P836-L839 PolarHBondContact O-N 3.26Å; I837-L839 VanDerWaalsContact C-N 3.34Å; I837-L839 PolarHBondContact O-N 3.27Å; L839-L842 PolarHBondContact O-N 3.1Å; L839-L843 VanDerWaalsContact O-CB 3.31Å; L839-L843 WeakPolarHBondContact O-CB 3.36Å; L839-L843 PolarHBondContact O-N 2.99Å; L839-L1304 HydrophobicContact CG-CD1 4.2Å
840Q82Confident76.1Confident24 Ų2423.6 Ų23.611%0.11215%0.154CC..Hα-helixtrans-64.2-41.7174.4-174.860.347.900111.4P836 I837 L843 D844 V1143P836-Q840 PolarHBondContact O-N 3.4Å; I837-Q840 PolarHBondContact O-N 2.84Å; Q840-L843 PolarHBondContact O-N 3.21Å; Q840-D844 PolarHBondContact NE2-OD1 2.78Å; Q840-D844 WeakPolarHBondContact O-CB 3.39Å; Q840-D844 PolarHBondContact O-N 3.03Å; Q840-V1143 HydrophobicContact CG-CG1 4.42Å; Q840-V1143 HydrophobicContact CG-CG2 4.39Å
841Y86.1Confident78.9Confident19 Ų1921 Ų218%0.07513%0.127CC..Hα-helixtrans-67.2-38.4177.7-76-1.4000112.6I837 E838 L843 W845 V1143 L1146 P1189 R1192 W1277I837-Y841 HydrophobicContact CG2-CD1 4.01Å; I837-Y841 HydrophobicContact CG2-CD2 4.07Å; I837-Y841 HydrophobicContact CG2-CE1 3.71Å; I837-Y841 HydrophobicContact CG2-CE2 3.76Å; I837-Y841 HydrophobicContact CG2-CG 4.19Å; I837-Y841 WeakPolarHBondContact O-CB 3.44Å; I837-Y841 PolarHBondContact O-N 3.21Å; E838-Y841 PolarHBondContact O-N 3.39Å; Y841-L843 VanDerWaalsContact C-N 3.35Å; Y841-W845 VanDerWaalsContact O-CB 3.3Å; Y841-W845 WeakPolarHBondContact O-CB 3.46Å; Y841-W845 PolarHBondContact O-N 3.16Å; Y841-V1143 HydrophobicContact CE1-CG1 4.17Å; Y841-L1146 WeakPolarHBondContact OH-CD2 3.38Å; Y841-P1189 HydrophobicContact CE2-CG 4.45Å; Y841-R1192 VanDerWaalsContact CD1-CZ 3.49Å; Y841-R1192 HydrophobicContact CD2-CG 4.29Å; Y841-R1192 HydrophobicContact CE2-CG 4.05Å; Y841-R1192 PolarHBondContact O-NH2 3.07Å; Y841-W1277 AromaticContact CE2-CZ2 3.88Å; Y841-W1277 HydrophobicContact CE2-CZ2 3.88Å
842L88Confident81.4Confident11 Ų1118.9 Ų18.96%0.05810%0.102CC..Hα-helixtrans-66.8-36.6173.9-178.760.6000111.7F778 L781 F786 E838 L839 W845 N846F778-L842 HydrophobicContact CD1-CD2 4.48Å; F778-L842 HydrophobicContact CD2-CD2 3.71Å; F778-L842 HydrophobicContact CE1-CD2 4.42Å; F778-L842 HydrophobicContact CE2-CD2 3.67Å; F778-L842 HydrophobicContact CG-CD2 4.15Å; F778-L842 HydrophobicContact CZ-CD2 4.03Å; L781-L842 HydrophobicContact CB-CD2 3.65Å; L781-L842 HydrophobicContact CB-CG 3.96Å; F786-L842 HydrophobicContact CE2-CD1 3.92Å; E838-L842 VanDerWaalsContact O-CB 3.26Å; E838-L842 WeakPolarHBondContact O-CB 3.27Å; E838-L842 PolarHBondContact O-N 3.31Å; L839-L842 PolarHBondContact O-N 3.1Å; L842-W845 HydrophobicContact CD1-CE3 4.29Å; L842-N846 WeakPolarHBondContact O-CB 3.32Å; L842-N846 PolarHBondContact O-N 3.47Å; L842-N846 PolarHBondContact O-ND2 2.64Å
843L88.7Confident83Confident0 Ų016.5 Ų16.50%09%0.088CC..Hα-helixtrans-68.4-49.5176176.857.8000112.3L781 L804 L807 V808 W811 L839 Q840 Y841 W845 N846 I847L781-L843 HydrophobicContact CD1-CB 4.43Å; L781-L843 HydrophobicContact CD2-CD1 4.36Å; L804-L843 HydrophobicContact CB-CD1 4.17Å; L804-L843 HydrophobicContact CD2-CD1 3.71Å; L804-L843 HydrophobicContact CG-CD1 4.47Å; L807-L843 HydrophobicContact CD2-CD1 3.93Å; L807-L843 HydrophobicContact CD2-CD2 3.4Å; L807-L843 VanDerWaalsContact CD2-CD2 3.4Å; L807-L843 HydrophobicContact CD2-CG 4.33Å; V808-L843 HydrophobicContact CB-CD2 4.44Å; V808-L843 HydrophobicContact CG2-CD1 4.31Å; V808-L843 HydrophobicContact CG2-CD2 3.43Å; V808-L843 VanDerWaalsContact CG2-CD2 3.43Å; V808-L843 HydrophobicContact CG2-CG 3.66Å; W811-L843 HydrophobicContact CD2-CD2 4.07Å; W811-L843 HydrophobicContact CE3-CD2 3.44Å; W811-L843 VanDerWaalsContact CE3-CD2 3.44Å; W811-L843 HydrophobicContact CH2-CD2 4.15Å; W811-L843 HydrophobicContact CZ3-CB 4.25Å; W811-L843 HydrophobicContact CZ3-CD2 3.5Å; W811-L843 VanDerWaalsContact CZ3-CD2 3.5Å; L839-L843 VanDerWaalsContact O-CB 3.31Å; L839-L843 WeakPolarHBondContact O-CB 3.36Å; L839-L843 PolarHBondContact O-N 2.99Å; Q840-L843 PolarHBondContact O-N 3.21Å; Y841-L843 VanDerWaalsContact C-N 3.35Å; L843-W845 VanDerWaalsContact C-N 3.27Å; L843-W845 PolarHBondContact O-N 3.34Å; L843-N846 WeakPolarHBondContact O-CB 3.39Å; L843-N846 PolarHBondContact O-N 3.2Å; L843-I847 HydrophobicContact CD1-CD1 4.42Å; L843-I847 HydrophobicContact CG-CD1 4.44Å; L843-I847 WeakPolarHBondContact O-CG1 3.47Å; L843-I847 PolarHBondContact O-N 3.42Å
844D88.3Confident84.3Confident0 Ų013.6 Ų13.60%07%0.067CC..Hα-helixtrans-55.2-42.8171.9-79.2-2.6000111.4Q840 I847 I848 N980 R1192Q840-D844 PolarHBondContact NE2-OD1 2.78Å; Q840-D844 WeakPolarHBondContact O-CB 3.39Å; Q840-D844 PolarHBondContact O-N 3.03Å; D844-I847 WeakPolarHBondContact O-CB 3.22Å; D844-I847 PolarHBondContact O-N 3.18Å; D844-I848 WeakPolarHBondContact O-CG1 3.4Å; D844-I848 PolarHBondContact O-N 2.83Å; D844-N980 PolarHBondContact OD1-ND2 3.07Å; D844-R1192 IonicContact OD2-CZ 3.69Å; D844-R1192 IonicContact OD2-NH1 2.79Å; D844-R1192 PolarHBondContact OD2-NH1 3.18Å; D844-R1192 IonicContact OD2-NH2 3.72Å
845W91.2Very high85.2Confident8 Ų810.8 Ų10.83%0.035%0.054CC..Hα-helixtrans-67.9-40.1177.4179.181.4000112.2F786 Y841 L842 L843 I847 I848 K849 R1314F786-W845 AromaticContact CD1-CH2 3.42Å; F786-W845 HydrophobicContact CD1-CH2 3.42Å; F786-W845 VanDerWaalsContact CD1-CH2 3.42Å; F786-W845 HydrophobicContact CD1-CZ2 4.15Å; F786-W845 AromaticContact CD1-CZ3 3.92Å; F786-W845 HydrophobicContact CD1-CZ3 3.92Å; F786-W845 HydrophobicContact CD2-CH2 4.07Å; F786-W845 AromaticContact CD2-CZ3 3.69Å; F786-W845 HydrophobicContact CD2-CZ3 3.69Å; F786-W845 HydrophobicContact CE1-CE3 4.42Å; F786-W845 AromaticContact CE1-CH2 3.28Å; F786-W845 HydrophobicContact CE1-CH2 3.28Å; F786-W845 AromaticContact CE1-CZ2 3.68Å; F786-W845 HydrophobicContact CE1-CZ2 3.68Å; F786-W845 AromaticContact CE1-CZ3 3.7Å; F786-W845 HydrophobicContact CE1-CZ3 3.7Å; F786-W845 AromaticContact CE2-CE3 3.97Å; F786-W845 HydrophobicContact CE2-CE3 3.97Å; F786-W845 AromaticContact CE2-CH2 3.97Å; F786-W845 HydrophobicContact CE2-CH2 3.97Å; F786-W845 AromaticContact CE2-CZ3 3.46Å; F786-W845 HydrophobicContact CE2-CZ3 3.46Å; F786-W845 VanDerWaalsContact CE2-CZ3 3.46Å; F786-W845 AromaticContact CG-CH2 3.82Å; F786-W845 HydrophobicContact CG-CH2 3.82Å; F786-W845 AromaticContact CG-CZ3 3.92Å; F786-W845 HydrophobicContact CG-CZ3 3.92Å; F786-W845 HydrophobicContact CZ-CD2 4.34Å; F786-W845 AromaticContact CZ-CE3 3.88Å; F786-W845 HydrophobicContact CZ-CE3 3.88Å; F786-W845 AromaticContact CZ-CH2 3.59Å; F786-W845 HydrophobicContact CZ-CH2 3.59Å; F786-W845 HydrophobicContact CZ-CZ2 4.07Å; F786-W845 AromaticContact CZ-CZ3 3.47Å; F786-W845 HydrophobicContact CZ-CZ3 3.47Å; F786-W845 VanDerWaalsContact CZ-CZ3 3.47Å; Y841-W845 VanDerWaalsContact O-CB 3.3Å; Y841-W845 WeakPolarHBondContact O-CB 3.46Å; Y841-W845 PolarHBondContact O-N 3.16Å; L842-W845 HydrophobicContact CD1-CE3 4.29Å; L843-W845 VanDerWaalsContact C-N 3.27Å; L843-W845 PolarHBondContact O-N 3.34Å; W845-I847 VanDerWaalsContact C-N 3.28Å; W845-I847 PolarHBondContact O-N 3.33Å; W845-I848 PolarHBondContact O-N 3.26Å; W845-K849 HydrophobicContact CH2-CB 4.2Å; W845-K849 HydrophobicContact CH2-CG 4Å; W845-K849 HydrophobicContact CZ2-CB 4.08Å; W845-K849 HydrophobicContact CZ2-CD 4.42Å; W845-K849 HydrophobicContact CZ2-CG 4.14Å; W845-K849 HydrophobicContact CZ3-CB 4.47Å; W845-K849 WeakPolarHBondContact O-CB 3.48Å; W845-K849 PolarHBondContact O-N 3.42Å; W845-R1314 HydrophobicContact CD2-CG 3.92Å; W845-R1314 HydrophobicContact CG-CB 4.45Å; W845-R1314 HydrophobicContact CG-CG 4.01Å; W845-R1314 HydrophobicContact CZ2-CG 4.3Å; W845-R1314 VanDerWaalsContact NE1-CA 3.3Å; W845-R1314 PolarHBondContact NE1-O 2.89Å
846N91.4Very high85.2Confident0 Ų09.7 Ų9.70%05%0.049CC..Hα-helixtrans-55.4-46.1170.8-94.7-93.8000110.3L781 G785 L804 L842 L843 I848 K849 F850L781-N846 PolarHBondContact O-ND2 3.2Å; L781-N846 PolarHBondContact O-OD1 2.96Å; G785-N846 WeakPolarHBondContact CA-OD1 3.31Å; G785-N846 PolarHBondContact N-OD1 3.41Å; L804-N846 HydrophobicContact CD1-CB 4.1Å; L842-N846 WeakPolarHBondContact O-CB 3.32Å; L842-N846 PolarHBondContact O-N 3.47Å; L842-N846 PolarHBondContact O-ND2 2.64Å; L843-N846 WeakPolarHBondContact O-CB 3.39Å; L843-N846 PolarHBondContact O-N 3.2Å; N846-I848 PolarHBondContact O-N 2.58Å; N846-K849 PolarHBondContact O-N 3.02Å; N846-F850 WeakPolarHBondContact O-CB 3.37Å; N846-F850 VanDerWaalsContact O-CD2 3.25Å; N846-F850 WeakPolarHBondContact O-CD2 3.3Å; N846-F850 PolarHBondContact O-N 3.35Å
847I91Very high85Confident0 Ų08.9 Ų8.90%04%0.043CC..Hα-helixtrans-60.2-45.4177.1-71.7166.7000111.5L801 L804 I805 V808 L843 D844 W845 F850 A851 M977 V983L801-I847 HydrophobicContact CD1-CB 4.3Å; L801-I847 HydrophobicContact CD1-CG1 4.35Å; L801-I847 HydrophobicContact CD1-CG2 3.93Å; L804-I847 HydrophobicContact CB-CD1 4.41Å; L804-I847 HydrophobicContact CB-CG1 3.97Å; I805-I847 HydrophobicContact CD1-CG2 4.45Å; I805-I847 HydrophobicContact CG1-CD1 3.97Å; I805-I847 HydrophobicContact CG1-CG1 4.21Å; I805-I847 HydrophobicContact CG1-CG2 4.27Å; V808-I847 HydrophobicContact CG2-CD1 3.46Å; V808-I847 VanDerWaalsContact CG2-CD1 3.46Å; L843-I847 HydrophobicContact CD1-CD1 4.42Å; L843-I847 HydrophobicContact CG-CD1 4.44Å; L843-I847 WeakPolarHBondContact O-CG1 3.47Å; L843-I847 PolarHBondContact O-N 3.42Å; D844-I847 WeakPolarHBondContact O-CB 3.22Å; D844-I847 PolarHBondContact O-N 3.18Å; W845-I847 VanDerWaalsContact C-N 3.28Å; W845-I847 PolarHBondContact O-N 3.33Å; I847-F850 PolarHBondContact O-N 3.34Å; I847-A851 VanDerWaalsContact O-CB 3.24Å; I847-A851 WeakPolarHBondContact O-CB 3.31Å; I847-A851 PolarHBondContact O-N 3.35Å; I847-M977 HydrophobicContact CD1-CE 4.07Å; I847-M977 HydrophobicContact CD1-SD 3.89Å; I847-M977 HydrophobicContact CG2-SD 4.09Å; I847-V983 HydrophobicContact CG2-CG1 3.89Å
848I91.7Very high84.6Confident6 Ų68.2 Ų8.23%0.0314%0.04CC..Hα-helixtrans-59-47.6174.6-74.1167.7000111.5D844 W845 N846 A851 R852 V983 F986 L1195 P1317D844-I848 WeakPolarHBondContact O-CG1 3.4Å; D844-I848 PolarHBondContact O-N 2.83Å; W845-I848 PolarHBondContact O-N 3.26Å; N846-I848 PolarHBondContact O-N 2.58Å; I848-A851 PolarHBondContact O-N 3.26Å; I848-R852 PolarHBondContact O-N 2.98Å; I848-V983 HydrophobicContact CG1-CG1 4.36Å; I848-F986 HydrophobicContact CB-CE1 4.37Å; I848-F986 HydrophobicContact CG1-CD1 4.23Å; I848-F986 HydrophobicContact CG2-CD1 4.24Å; I848-F986 HydrophobicContact CG2-CE1 3.69Å; I848-F986 HydrophobicContact CG2-CE2 4.3Å; I848-F986 HydrophobicContact CG2-CZ 3.71Å; I848-L1195 HydrophobicContact CD1-CD1 4.07Å; I848-L1195 HydrophobicContact CD1-CD2 3.7Å; I848-P1317 HydrophobicContact CG2-CB 3.95Å
849K91Very high84.1Confident16 Ų166.4 Ų6.47%0.073%0.031CC..Hα-helixtrans-64.7-43.4179.7177.455.5172.6159.50111.8A789 D790 W845 N846 R852 S853 P1317A789-K849 HydrophobicContact CB-CG 4.15Å; D790-K849 WeakPolarHBondContact OD1-CE 3.28Å; D790-K849 IonicContact OD1-NZ 3.91Å; D790-K849 PolarHBondContact OD1-NZ 2.82Å; D790-K849 WeakPolarHBondContact OD2-CE 3.41Å; D790-K849 IonicContact OD2-NZ 3.03Å; D790-K849 PolarHBondContact OD2-NZ 3.31Å; W845-K849 HydrophobicContact CH2-CB 4.2Å; W845-K849 HydrophobicContact CH2-CG 4Å; W845-K849 HydrophobicContact CZ2-CB 4.08Å; W845-K849 HydrophobicContact CZ2-CD 4.42Å; W845-K849 HydrophobicContact CZ2-CG 4.14Å; W845-K849 HydrophobicContact CZ3-CB 4.47Å; W845-K849 WeakPolarHBondContact O-CB 3.48Å; W845-K849 PolarHBondContact O-N 3.42Å; N846-K849 PolarHBondContact O-N 3.02Å; K849-R852 PolarHBondContact O-N 3.12Å; K849-S853 WeakPolarHBondContact O-CB 3.39Å; K849-S853 PolarHBondContact O-N 3.48Å; K849-P1317 HydrophobicContact CD-CG 4.04Å
850F89.8Confident83.1Confident0 Ų06.6 Ų6.60%03%0.033CC..Hα-helixtrans-67.1-38.8174.8-85.3-73.9000112A789 L792 R797 T800 L801 L804 N846 I847 S853 I854A789-F850 HydrophobicContact CB-CD1 4.34Å; A789-F850 HydrophobicContact CB-CD2 4.49Å; A789-F850 HydrophobicContact CB-CE1 3.84Å; A789-F850 HydrophobicContact CB-CE2 4.01Å; A789-F850 HydrophobicContact CB-CZ 3.65Å; L792-F850 HydrophobicContact CD1-CE1 4.11Å; L792-F850 HydrophobicContact CD1-CZ 4.14Å; R797-F850 HydrophobicContact CB-CD1 4.45Å; R797-F850 HydrophobicContact CG-CD1 4.08Å; R797-F850 HydrophobicContact CG-CE1 4.05Å; T800-F850 HydrophobicContact CG2-CD1 4.33Å; T800-F850 HydrophobicContact CG2-CD2 4.2Å; T800-F850 HydrophobicContact CG2-CE1 3.8Å; T800-F850 HydrophobicContact CG2-CE2 3.68Å; T800-F850 HydrophobicContact CG2-CZ 3.46Å; T800-F850 VanDerWaalsContact CG2-CZ 3.46Å; L801-F850 HydrophobicContact CB-CB 4.2Å; L801-F850 HydrophobicContact CD1-CB 4.01Å; L804-F850 HydrophobicContact CD1-CD2 3.63Å; L804-F850 HydrophobicContact CD1-CE2 3.88Å; N846-F850 WeakPolarHBondContact O-CB 3.37Å; N846-F850 VanDerWaalsContact O-CD2 3.25Å; N846-F850 WeakPolarHBondContact O-CD2 3.3Å; N846-F850 PolarHBondContact O-N 3.35Å; I847-F850 PolarHBondContact O-N 3.34Å; F850-S853 WeakPolarHBondContact CA-OG 3.45Å; F850-S853 WeakPolarHBondContact O-CB 3.3Å; F850-S853 PolarHBondContact O-N 3.48Å; F850-S853 VanDerWaalsContact O-N 3.15Å; F850-S853 PolarHBondContact O-OG 3.17Å; F850-I854 WeakPolarHBondContact O-CG1 3.46Å; F850-I854 PolarHBondContact O-N 3.1Å
851A88Confident82.2Confident5 Ų57 Ų74%0.0414%0.035CC..Hα-helixtrans-61.7-42.317500000112.7I847 I848 I854 V987I847-A851 VanDerWaalsContact O-CB 3.24Å; I847-A851 WeakPolarHBondContact O-CB 3.31Å; I847-A851 PolarHBondContact O-N 3.35Å; I848-A851 PolarHBondContact O-N 3.26Å; A851-I854 PolarHBondContact O-N 3.38Å; A851-V987 HydrophobicContact CB-CG2 4.04Å
852R88.3Confident81Confident12 Ų126.3 Ų6.35%0.0453%0.033CC..Hα-helixtrans-65.2-39.7170.5-65.7-58-68.7174.73.5112.3I848 K849 I854 Q855 F986 P1317 E1320I848-R852 PolarHBondContact O-N 2.98Å; K849-R852 PolarHBondContact O-N 3.12Å; R852-I854 PolarHBondContact O-N 2.67Å; R852-Q855 WeakPolarHBondContact O-CB 3.43Å; R852-Q855 PolarHBondContact O-N 3.01Å; R852-F986 HydrophobicContact CG-CE1 3.77Å; R852-F986 HydrophobicContact CG-CZ 3.81Å; R852-P1317 HydrophobicContact CG-CB 4.09Å; R852-E1320 IonicContact CZ-OE2 3.36Å; R852-E1320 IonicContact NE-OE2 2.62Å; R852-E1320 PolarHBondContact NE-OE2 3.26Å; R852-E1320 IonicContact NH2-OE2 3.63Å; R852-E1320 PolarHBondContact NH2-OE2 3.21Å
853S83.6Confident79.7Confident6 Ų65.9 Ų5.94%0.0423%0.031CC..Hα-helixtrans-61-20.118083.30000114.4R797 K849 F850 R1352R797-S853 VanDerWaalsContact CD-OG 3.3Å; R797-S853 WeakPolarHBondContact CD-OG 3.25Å; R797-S853 PolarHBondContact NH1-O 3.47Å; K849-S853 WeakPolarHBondContact O-CB 3.39Å; K849-S853 PolarHBondContact O-N 3.48Å; F850-S853 WeakPolarHBondContact CA-OG 3.45Å; F850-S853 WeakPolarHBondContact O-CB 3.3Å; F850-S853 PolarHBondContact O-N 3.48Å; F850-S853 VanDerWaalsContact O-N 3.15Å; F850-S853 PolarHBondContact O-OG 3.17Å; S853-R1352 PolarHBondContact O-NH1 3.34Å
854I78.9Confident78.6Confident5 Ų56 Ų63%0.0263%0.032CC..THydrogen-bonded Turntrans-79.6-16.8178.2-73166.9000112.9I798 L801 F850 A851 R852 A856 C859 F864 M994I798-I854 HydrophobicContact CG1-CD1 3.91Å; I798-I854 HydrophobicContact CG1-CG1 3.95Å; L801-I854 HydrophobicContact CB-CD1 4.26Å; L801-I854 HydrophobicContact CD2-CD1 3.35Å; L801-I854 HydrophobicContact CG-CD1 4.43Å; F850-I854 WeakPolarHBondContact O-CG1 3.46Å; F850-I854 PolarHBondContact O-N 3.1Å; A851-I854 PolarHBondContact O-N 3.38Å; R852-I854 PolarHBondContact O-N 2.67Å; I854-A856 PolarHBondContact O-N 2.85Å; I854-C859 HydrophobicContact CB-CB 4.42Å; I854-C859 HydrophobicContact CG2-CB 4.35Å; I854-C859 WeakPolarHBondContact O-CB 3.4Å; I854-F864 HydrophobicContact CG2-CD2 4Å; I854-F864 HydrophobicContact CG2-CE2 4.38Å; I854-M994 HydrophobicContact CG2-CE 3.41Å; I854-M994 VanDerWaalsContact CG2-CE 3.41Å
855Q80.7Confident77.3Confident8 Ų88.3 Ų8.34%0.0375%0.047CC..THydrogen-bonded Turntrans-74.3-7.3173.8-60-168.6-33.200113.9R852 S990R852-Q855 WeakPolarHBondContact O-CB 3.43Å; R852-Q855 PolarHBondContact O-N 3.01Å; Q855-S990 PolarHBondContact NE2-O 2.83Å
856A76.1Confident75.6Confident5 Ų510.4 Ų10.44%0.0416%0.063CC..SBendtrans-65.8139.9173.700000110.2I854 D858 C859 V860I854-A856 PolarHBondContact O-N 2.85Å; A856-D858 WeakPolarHBondContact CB-OD1 3.28Å; A856-D858 PolarHBondContact O-N 3.26Å; A856-D858 VanDerWaalsContact O-N 3.09Å; A856-C859 WeakPolarHBondContact O-CB 3.39Å; A856-C859 PolarHBondContact O-N 3.34Å; A856-V860 PolarHBondContact O-N 3.26Å
857P72Confident74Confident4 Ų412.1 Ų12.13%0.0268%0.077CC..Hα-helixtrans-53.8-34-177.3-26.832.6000114.1C859 V860 I861 F998 Y1571P857-C859 VanDerWaalsContact C-N 3.34Å; P857-C859 PolarHBondContact O-N 2.98Å; P857-V860 PolarHBondContact O-N 3.07Å; P857-I861 HydrophobicContact CB-CD1 4.5Å; P857-I861 WeakPolarHBondContact O-CB 3.29Å; P857-I861 WeakPolarHBondContact O-CG1 3.44Å; P857-I861 PolarHBondContact O-N 3.46Å; P857-F998 HydrophobicContact CB-CE1 3.88Å; P857-F998 HydrophobicContact CB-CZ 4.11Å; P857-F998 HydrophobicContact CG-CE1 3.96Å; P857-F998 HydrophobicContact CG-CZ 3.89Å; P857-Y1571 HydrophobicContact CB-CE2 4.4Å; P857-Y1571 WeakPolarHBondContact CB-OH 3.41Å; P857-Y1571 HydrophobicContact CG-CE1 4.03Å; P857-Y1571 HydrophobicContact CG-CE2 3.98Å; P857-Y1571 VanDerWaalsContact CG-OH 3.27Å; P857-Y1571 WeakPolarHBondContact CG-OH 3.01Å
858D68.5Low72.4Confident5 Ų513.2 Ų13.23%0.0278%0.083CC..Hα-helixtrans-62.5-37.2177.173.3-21.8000112.8P794 R797 A856 Y862 R1352 V1563P794-D858 HydrophobicContact CG-CB 3.96Å; P794-D858 WeakPolarHBondContact CG-O 3.38Å; R797-D858 IonicContact CZ-OD1 3.16Å; R797-D858 IonicContact CZ-OD2 2.81Å; R797-D858 IonicContact NH1-OD1 2.72Å; R797-D858 PolarHBondContact NH1-OD1 3.17Å; R797-D858 IonicContact NH1-OD2 3.26Å; R797-D858 PolarHBondContact NH1-OD2 3.47Å; R797-D858 IonicContact NH2-OD1 2.71Å; R797-D858 IonicContact NH2-OD2 3.5Å; R797-D858 PolarHBondContact NH2-OD2 3.47Å; A856-D858 WeakPolarHBondContact CB-OD1 3.28Å; A856-D858 PolarHBondContact O-N 3.26Å; A856-D858 VanDerWaalsContact O-N 3.09Å; D858-Y862 HydrophobicContact CB-CD2 4.09Å; D858-Y862 HydrophobicContact CB-CE2 4.37Å; D858-Y862 VanDerWaalsContact O-CB 3.29Å; D858-Y862 WeakPolarHBondContact O-CB 3.35Å; D858-Y862 VanDerWaalsContact O-CD2 3.29Å; D858-Y862 WeakPolarHBondContact O-CD2 3.45Å; D858-Y862 PolarHBondContact O-N 2.96Å; D858-Y862 VanDerWaalsContact O-N 3.11Å; D858-R1352 IonicContact OD1-NH1 3.55Å; D858-V1563 HydrophobicContact CB-CG2 3.54Å
859C66.6Low70.3Confident0 Ų017.3 Ų17.30%011%0.108CC..Iπ-helixtrans-65.2-42.3172.7-95.70000112.9R797 I854 A856 P857 G863 F864R797-C859 PolarHBondContact NH1-SG 3.36Å; I854-C859 HydrophobicContact CB-CB 4.42Å; I854-C859 HydrophobicContact CG2-CB 4.35Å; I854-C859 WeakPolarHBondContact O-CB 3.4Å; A856-C859 WeakPolarHBondContact O-CB 3.39Å; A856-C859 PolarHBondContact O-N 3.34Å; P857-C859 VanDerWaalsContact C-N 3.34Å; P857-C859 PolarHBondContact O-N 2.98Å; C859-G863 PolarHBondContact O-N 3.48Å; C859-G863 VanDerWaalsContact O-N 3.11Å; C859-F864 WeakPolarHBondContact O-CB 3.41Å; C859-F864 PolarHBondContact O-N 2.96Å
860V64.1Low68Low5 Ų519 Ų193%0.0312%0.122CC..Iπ-helixtrans-70.3-43.6-175.6-1760000111.4A856 P857 C865 M994 F998 L1000A856-V860 PolarHBondContact O-N 3.26Å; P857-V860 PolarHBondContact O-N 3.07Å; V860-C865 PolarHBondContact O-SG 3.34Å; V860-M994 HydrophobicContact CG1-CG 4.44Å; V860-M994 HydrophobicContact CG1-SD 4.39Å; V860-M994 HydrophobicContact CG2-CE 4.25Å; V860-M994 HydrophobicContact CG2-CG 3.56Å; V860-M994 HydrophobicContact CG2-SD 3.92Å; V860-F998 HydrophobicContact CB-CD2 4.36Å; V860-F998 HydrophobicContact CB-CG 4.41Å; V860-F998 HydrophobicContact CG1-CB 4.09Å; V860-F998 HydrophobicContact CG1-CD1 4.49Å; V860-F998 HydrophobicContact CG1-CD2 4.2Å; V860-F998 HydrophobicContact CG1-CG 4.01Å; V860-F998 HydrophobicContact CG2-CD2 3.75Å; V860-F998 HydrophobicContact CG2-CE2 3.67Å; V860-F998 HydrophobicContact CG2-CG 4.3Å; V860-F998 HydrophobicContact CG2-CZ 4.15Å; V860-L1000 HydrophobicContact CG1-CD1 3.89Å; V860-L1000 HydrophobicContact CG1-CD2 4.27Å
861I62.4Low65.4Low31 Ų3122.1 Ų22.116%0.15914%0.144CC..Iπ-helixtrans-77.9-38.7-174.6-67.3163.5000111.9G237 T239 P857G237-I861 VanDerWaalsContact C-CD1 3.43Å; G237-I861 WeakPolarHBondContact O-CD1 3.26Å; T239-I861 WeakPolarHBondContact O-CG2 3.34Å; P857-I861 HydrophobicContact CB-CD1 4.5Å; P857-I861 WeakPolarHBondContact O-CB 3.29Å; P857-I861 WeakPolarHBondContact O-CG1 3.44Å; P857-I861 PolarHBondContact O-N 3.46Å
862Y61.5Low63Low6 Ų626.4 Ų26.42%0.02417%0.169CC..Iπ-helixtrans-98.8-47.2-173.4-57.2-50.9000114.1C236 G237 L241 E287 P794 D858 S866 V1563C236-Y862 WeakPolarHBondContact CA-OH 3.47Å; G237-Y862 PolarHBondContact N-OH 2.94Å; L241-Y862 HydrophobicContact CD1-CD1 4.03Å; L241-Y862 HydrophobicContact CD2-CD1 3.65Å; L241-Y862 HydrophobicContact CD2-CE1 3.76Å; L241-Y862 HydrophobicContact CG-CD1 3.84Å; L241-Y862 HydrophobicContact CG-CE1 4.33Å; E287-Y862 HydrophobicContact CB-CD1 3.67Å; E287-Y862 HydrophobicContact CB-CE1 3.93Å; E287-Y862 HydrophobicContact CB-CG 4.27Å; E287-Y862 HydrophobicContact CG-CD1 4.28Å; E287-Y862 HydrophobicContact CG-CG 4.4Å; E287-Y862 WeakPolarHBondContact OE2-CD2 3.31Å; P794-Y862 HydrophobicContact CG-CD2 4.21Å; D858-Y862 HydrophobicContact CB-CD2 4.09Å; D858-Y862 HydrophobicContact CB-CE2 4.37Å; D858-Y862 VanDerWaalsContact O-CB 3.29Å; D858-Y862 WeakPolarHBondContact O-CB 3.35Å; D858-Y862 VanDerWaalsContact O-CD2 3.29Å; D858-Y862 WeakPolarHBondContact O-CD2 3.45Å; D858-Y862 PolarHBondContact O-N 2.96Å; D858-Y862 VanDerWaalsContact O-N 3.11Å; Y862-S866 PolarHBondContact O-OG 3.4Å; Y862-V1563 HydrophobicContact CE2-CG1 4Å; Y862-V1563 HydrophobicContact CE2-CG2 3.87Å
863G60.1Low60.4Low2 Ų228.3 Ų28.32%0.02118%0.18CC..Iπ-helixtrans-106.4-35.3-166.600000116.7C859 S866 A867C859-G863 PolarHBondContact O-N 3.48Å; C859-G863 VanDerWaalsContact O-N 3.11Å; G863-S866 VanDerWaalsContact C-OG 3.3Å; G863-S866 WeakPolarHBondContact CA-OG 3.33Å; G863-S866 PolarHBondContact O-OG 3.41Å; G863-A867 WeakPolarHBondContact O-CB 3.44Å; G863-A867 PolarHBondContact O-N 2.75Å
864F65.5Low58.1Low3 Ų333.2 Ų33.21%0.01321%0.21CC..Iπ-helixtrans-80.8-47-166.3-165.8-106.5000112.7I798 I854 C859 S866 A867 L868 F975 L991 M994 I1006I798-F864 HydrophobicContact CD1-CB 3.95Å; I798-F864 HydrophobicContact CD1-CD2 4.2Å; I854-F864 HydrophobicContact CG2-CD2 4Å; I854-F864 HydrophobicContact CG2-CE2 4.38Å; C859-F864 WeakPolarHBondContact O-CB 3.41Å; C859-F864 PolarHBondContact O-N 2.96Å; F864-S866 VanDerWaalsContact C-N 3.29Å; F864-S866 PolarHBondContact O-N 3.01Å; F864-A867 PolarHBondContact O-N 3.37Å; F864-L868 HydrophobicContact CD1-CD1 3.87Å; F864-L868 HydrophobicContact CE1-CD1 3.42Å; F864-L868 VanDerWaalsContact CE1-CD1 3.42Å; F864-L868 HydrophobicContact CE1-CG 4.25Å; F864-L868 HydrophobicContact CZ-CD1 3.84Å; F864-L868 HydrophobicContact CZ-CG 4.32Å; F864-L868 WeakPolarHBondContact O-CG 3.32Å; F864-L868 PolarHBondContact O-N 3.27Å; F864-L868 VanDerWaalsContact O-N 3.09Å; F864-F975 AromaticContact CE2-CE2 3.94Å; F864-F975 HydrophobicContact CE2-CE2 3.94Å; F864-F975 AromaticContact CE2-CZ 3.72Å; F864-F975 HydrophobicContact CE2-CZ 3.72Å; F864-F975 HydrophobicContact CZ-CE2 4.13Å; F864-F975 HydrophobicContact CZ-CZ 4.37Å; F864-L991 HydrophobicContact CE1-CD2 4.08Å; F864-L991 HydrophobicContact CE2-CD2 3.91Å; F864-L991 HydrophobicContact CZ-CD2 3.36Å; F864-M994 HydrophobicContact CD1-CE 3.62Å; F864-M994 HydrophobicContact CD1-SD 3.52Å; F864-M994 VanDerWaalsContact CD1-SD 3.52Å; F864-M994 HydrophobicContact CD2-CE 4.09Å; F864-M994 HydrophobicContact CE1-CE 3.73Å; F864-M994 HydrophobicContact CE1-SD 3.68Å; F864-M994 HydrophobicContact CE2-CE 4.2Å; F864-M994 HydrophobicContact CG-CE 3.81Å; F864-M994 HydrophobicContact CG-SD 4.24Å; F864-M994 HydrophobicContact CZ-CE 4.05Å; F864-I1006 HydrophobicContact CD1-CD1 4.1Å; F864-I1006 HydrophobicContact CD1-CG1 4.39Å; F864-I1006 HydrophobicContact CE1-CD1 4.08Å; F864-I1006 HydrophobicContact CE1-CG1 4.05Å
865C60Low55.8Low48 Ų4839.8 Ų39.832%0.32424%0.24SC..Hα-helixtrans-64.9-32.6177.1-640000112.7V860 T869V860-C865 PolarHBondContact O-SG 3.34Å; C865-T869 WeakPolarHBondContact O-CG2 3.45Å; C865-T869 PolarHBondContact O-OG1 3.33Å
866S56.7Low53.4Low51 Ų5144.7 Ų44.736%0.35727%0.271SS..Hα-helixtrans-75.3-38.6175.552.70000112.4Y862 G863 F864 L868 T869 S870Y862-S866 PolarHBondContact O-OG 3.4Å; G863-S866 VanDerWaalsContact C-OG 3.3Å; G863-S866 WeakPolarHBondContact CA-OG 3.33Å; G863-S866 PolarHBondContact O-OG 3.41Å; F864-S866 VanDerWaalsContact C-N 3.29Å; F864-S866 PolarHBondContact O-N 3.01Å; S866-L868 PolarHBondContact O-N 3.01Å; S866-T869 PolarHBondContact O-OG1 3.38Å; S866-S870 PolarHBondContact O-OG 3.5Å
867A57.9Low51Low36 Ų3653.1 Ų53.130%0.29831%0.31SS..Hα-helixtrans-64.1-38174.200000113.2I798 G863 F864I798-A867 HydrophobicContact CG2-CB 4.01Å; G863-A867 WeakPolarHBondContact O-CB 3.44Å; G863-A867 PolarHBondContact O-N 2.75Å; F864-A867 PolarHBondContact O-N 3.37Å
868L56.1Low48.8Very low24 Ų2457.6 Ų57.613%0.12634%0.339CS..Hα-helixtrans-75.5-21.1-178.6-72.9-179.7000115F864 S866 F975 I1006 N1009F864-L868 HydrophobicContact CD1-CD1 3.87Å; F864-L868 HydrophobicContact CE1-CD1 3.42Å; F864-L868 VanDerWaalsContact CE1-CD1 3.42Å; F864-L868 HydrophobicContact CE1-CG 4.25Å; F864-L868 HydrophobicContact CZ-CD1 3.84Å; F864-L868 HydrophobicContact CZ-CG 4.32Å; F864-L868 WeakPolarHBondContact O-CG 3.32Å; F864-L868 PolarHBondContact O-N 3.27Å; F864-L868 VanDerWaalsContact O-N 3.09Å; S866-L868 PolarHBondContact O-N 3.01Å; L868-F975 HydrophobicContact CD2-CE2 4.47Å; L868-I1006 HydrophobicContact CD1-CB 4.35Å; L868-I1006 HydrophobicContact CD1-CD1 4.42Å; L868-I1006 HydrophobicContact CD1-CG1 3.39Å; L868-N1009 HydrophobicContact CD1-CB 4.44Å; L868-N1009 HydrophobicContact CD2-CB 4.01Å; L868-N1009 VanDerWaalsContact CD2-ND2 3.29Å; L868-N1009 WeakPolarHBondContact CD2-ND2 3.48Å
869T49Very low46.8Very low92 Ų9261.7 Ų61.756%0.56438%0.382SS*.THydrogen-bonded Turntrans-92.7-4-177.943.10000113.4C865 S866C865-T869 WeakPolarHBondContact O-CG2 3.45Å; C865-T869 PolarHBondContact O-OG1 3.33Å; S866-T869 PolarHBondContact O-OG1 3.38Å
870S41.3Very low44.8Very low52 Ų5266.3 Ų66.336%0.36441%0.411SS..SBendtrans-93.1142.8-170.5-700000114.1S866 T872S866-S870 PolarHBondContact O-OG 3.5Å; S870-T872 VanDerWaalsContact CB-OG1 3.28Å; S870-T872 WeakPolarHBondContact CB-OG1 3.49Å; S870-T872 PolarHBondContact O-N 3.14Å
871S35.7Very low43Very low65 Ų6573.6 Ų73.646%0.45545%0.449SS..G310 helixtrans-67.58.7172.257.90000114.6L873 T874 Q875S871-L873 PolarHBondContact O-N 3.35Å; S871-T874 PolarHBondContact O-N 3.48Å; S871-T874 PolarHBondContact O-OG1 3.11Å; S871-T874 VanDerWaalsContact O-OG1 3.09Å; S871-Q875 PolarHBondContact O-N 2.86Å
872T37.1Very low41.1Very low94 Ų9477.5 Ų77.558%0.57748%0.479SS*.G310 helixtrans-62.4-24.5171.337.50000112.5S870 T874S870-T872 VanDerWaalsContact CB-OG1 3.28Å; S870-T872 WeakPolarHBondContact CB-OG1 3.49Å; S870-T872 PolarHBondContact O-N 3.14Å; T872-T874 VanDerWaalsContact C-N 3.3Å
873L35.1Very low39.3Very low53 Ų5385.1 Ų85.128%0.27752%0.52SS..G310 helixtrans-73.4-16.2171.3-90.5154.9000114.3S871 P974S871-L873 PolarHBondContact O-N 3.35Å; L873-P974 HydrophobicContact CD1-CG 4.47Å; L873-P974 HydrophobicContact CD2-CB 4.29Å; L873-P974 HydrophobicContact CD2-CG 4.17Å
874T34.2Very low37.6Very low108 Ų10893.8 Ų93.866%0.66356%0.559SS**THydrogen-bonded Turntrans-116.33.3-176.552.70000114.3S871 T872S871-T874 PolarHBondContact O-N 3.48Å; S871-T874 PolarHBondContact O-OG1 3.11Å; S871-T874 VanDerWaalsContact O-OG1 3.09Å; T872-T874 VanDerWaalsContact C-N 3.3Å
875Q30.9Very low35.6Very low143 Ų14398.8 Ų98.867%0.66860%0.595SS**  trans-124.314.3-176.9-72.2-167.1-18.100115.9S871 Q877S871-Q875 PolarHBondContact O-N 2.86Å; Q875-Q877 PolarHBondContact O-N 3.27Å
876T29.9Very low33.8Very low112 Ų112102.5 Ų102.569%0.68762%0.616SS**  trans-75.168.1160.944.10000110.7
877Q26Very low32.2Very low181 Ų181106.7 Ų106.785%0.84663%0.634SS**  trans-57.1128.7161.9-84.3-164.1-1700108.3Q875 G879Q875-Q877 PolarHBondContact O-N 3.27Å; Q877-G879 PolarHBondContact O-N 3.32Å
878P26.4Very low30.5Very low98 Ų98111.8 Ų111.864%0.63666%0.656SS**  trans-68.2122.5173.229.1-32.5000108T880P878-T880 HydrophobicContact CB-CG2 4.17Å; P878-T880 PolarHBondContact O-N 3Å; P878-T880 PolarHBondContact O-OG1 3.24Å
879G26.2Very low29Very low91 Ų91115.9 Ų115.994%0.93869%0.687SS**  trans-69.966.9167.100000110.7Q877Q877-G879 PolarHBondContact O-N 3.32Å
880T25Very low27.8Very low98 Ų98115.8 Ų115.860%0.60170%0.695SS**  trans-95.4154.4172.943.20000110.4P878P878-T880 HydrophobicContact CB-CG2 4.17Å; P878-T880 PolarHBondContact O-N 3Å; P878-T880 PolarHBondContact O-OG1 3.24Å
881N25Very low26.9Very low157 Ų157118.8 Ų118.884%0.8472%0.715SS**SBendtrans80.557.5171.6-48.5-21.5000117.6
882S23.4Very low26.3Very low113 Ų113122.5 Ų122.579%0.7974%0.735SS**  -165.987.8128.248.30000112.6
883L24Very low25.8Very low166 Ų166123.1 Ų123.187%0.86974%0.743SS**  trans-167.678153.5-106.1151000109.6
884H24.7Very low25.3Very low184 Ų184129.8 Ų129.885%0.85277%0.773SS**  trans-63.3134.3158.5-86.8-81.4000109.3
885S22Very low25.2Very low109 Ų109130.2 Ų130.276%0.76278%0.777SS**  trans3494.2145.1178.20000117.7
886V23.8Very low24.8Very low126 Ų126132.4 Ų132.476%0.76479%0.788SS**  trans-129.682.9147.6-171.90000109.2
887N21.9Very low24.4Very low139 Ų139132.5 Ų132.574%0.74379%0.793SS**  trans-64.7155.7149.9-91-19.7000109
888N23.8Very low24.3Very low142 Ų142128.9 Ų128.976%0.75979%0.788SS**  trans84.9105.7167.9-54.5-20.5000118.3
889S23.9Very low24.1Very low110 Ų110132.2 Ų132.277%0.76980%0.8SS**  70.6125.8123.269.40000122.4
890A23.8Very low24Very low90 Ų90135 Ų13574%0.74479%0.792SS**  trans87.7151.9134.700000120.9
891C23Very low23.8Very low116 Ų116138.2 Ų138.278%0.78480%0.802SS**  trans65.9119.2174-630000115.9
892V23.2Very low23.7Very low143 Ų143134.8 Ų134.887%0.86779%0.79SS**  cis6385.430.5-166.30000114.3
893S26.7Very low23.7Very low106 Ų106138 Ų13874%0.74179%0.793SS**  trans-179.3105.9146.647.70000107.6
894Q23.4Very low23.7Very low194 Ų194139.5 Ų139.591%0.90780%0.795SS**  68.3138.797.9-93.6-168.8-18.800116
895P31.8Very low23.7Very low116 Ų116134 Ų13475%0.75379%0.788SS**  trans-92.4152.5-166.437-35.3000113
896Q23.6Very low23.8Very low190 Ų190134.9 Ų134.989%0.88880%0.795SS**  trans-160.2146154-115.716137.900114.1
897S21.5Very low23.8Very low113 Ų113132 Ų13279%0.7979%0.79SS**  trans-67.3140171.749.10000113
898S22.7Very low24Very low106 Ų106133.2 Ų133.274%0.74180%0.796SS**  trans-155129.4152.648.10000113
899N21.8Very low23.9Very low168 Ų168131.9 Ų131.990%0.89879%0.793SS**  trans-89.1118.1163-71.1-40.8000108.3
900I24.7Very low24Very low149 Ų149133.1 Ų133.176%0.76479%0.79SS**  trans-148.5110162.3-52.7-179.2000105.2
901M21.7Very low24Very low166 Ų166134.8 Ų134.882%0.81879%0.787SS**  cis86.8126.743.2-158.5172.779.600114.2
902S23Very low24.1Very low85 Ų85134.3 Ų134.359%0.59478%0.78SS**  trans62.8111.5156.357.50000122.6
903Q23.1Very low24.1Very low181 Ų181133.2 Ų133.285%0.84677%0.774SS**  63.9161.3119.2-68.4-172.8-12.500123.3
904Q24.2Very low24Very low196 Ų196133.5 Ų133.592%0.91678%0.776SS**  trans85.6134.1171.8-51-176.27.900115.7
905G24.6Very low24.1Very low68 Ų68127.9 Ų127.970%0.70177%0.771SS**  cis-178.5162-600000112.9
906S24.2Very low23.8Very low129 Ų129127.6 Ų127.690%0.90277%0.771SS**  trans14.1145.3161.558.90000121.6
907G23.5Very low23.8Very low64 Ų64124.9 Ų124.966%0.6677%0.767SS**  cis141.9141.58.100000111.3
908L25.6Very low23.9Very low166 Ų166124 Ų12487%0.86976%0.761SS**  trans173.7106.4172.4-97.3148000104.7
909V22.7Very low23.9Very low114 Ų114127 Ų12769%0.69177%0.766SS**  cis78.4129.635.8-170.10000113.3
910N24.3Very low24Very low135 Ų135126.4 Ų126.472%0.72276%0.761SS**  trans77.7136.3-175.3-57.6-22.1000114.8
911N25.1Very low23.8Very low125 Ų125130.7 Ų130.767%0.66877%0.767SS**  cis-161.11522.4-123-1.4000112.7
912T25.1Very low23.9Very low106 Ų106127.7 Ų127.765%0.6576%0.76SS**  trans33.1143.5138.363.20000121.6
913T23.2Very low23.8Very low120 Ų120133.2 Ų133.274%0.73677%0.774SS**  cis-174.1170.6-1.120.50000109.1
914S24Very low23.9Very low113 Ų113131.5 Ų131.579%0.7977%0.769SS**  trans68.6117.2142.860.90000121.3
915G25.8Very low23.9Very low76 Ų76127.9 Ų127.978%0.78476%0.762SS**  trans95.9136.7147.100000115.8
916S25.2Very low24Very low110 Ų110130.7 Ų130.777%0.76977%0.766SS**  cis-173161.2-8.148.90000110.1
917V24.7Very low24Very low133 Ų133132.1 Ų132.181%0.80676%0.763SS**  trans84.6121.1159.8-171.80000119.6
918S23Very low24Very low95 Ų95136 Ų13666%0.66478%0.775SS**  trans52.9116.3149.3-150.20000120.6
919M22.1Very low23.8Very low169 Ų169131.8 Ų131.883%0.83377%0.771SS**  51.1104.577.5-87.8-93.1-80.800115
920I23.3Very low23.8Very low154 Ų154133.2 Ų133.279%0.7978%0.779SS**  trans165.596.6156.8-87.3150.8000104.9
921R21.9Very low23.7Very low239 Ų239134.2 Ų134.290%0.90278%0.784SS**  35.2144.292.2-88-169.9174.4-174.1-0.8116.7
922P23.2Very low23.5Very low103 Ų103133.7 Ų133.767%0.66979%0.786SS**SBendtrans-93.9167.6-141.338.2-39.8000115.4
923F22.1Very low23.4Very low202 Ų202133.5 Ų133.589%0.88679%0.788SS**  trans59102168.9-72.3-83.1000117.6
924I24.5Very low23.3Very low144 Ų144135.6 Ų135.674%0.73879%0.793SS**  trans-141.3125.1159.2-57.3-179.1000110.1V926I924-V926 HydrophobicContact CG2-CG2 4.27Å
925P24.8Very low23.3Very low120 Ų120135 Ų13578%0.77979%0.79SS**  trans-97.5149.1163.936.3-30.1000111.6
926V26.1Very low23.2Very low127 Ų127136.5 Ų136.577%0.7779%0.788SS**  trans-140.6122.2166.3179.50000110I924I924-V926 HydrophobicContact CG2-CG2 4.27Å
927N23.8Very low23.2Very low160 Ų160136.4 Ų136.486%0.85679%0.787SS**  trans-85144.5170.7-86.9-15.9000111.2
928T23.3Very low23.1Very low146 Ų146135.3 Ų135.390%0.89679%0.785SS**  trans-168.3142.8144.512.60000108.8
929G22.6Very low23.3Very low77 Ų77135.4 Ų135.479%0.79478%0.777SS**  trans114.8103.1168.800000115.1
930V22.4Very low23.6Very low143 Ų143132.5 Ų132.587%0.86776%0.764SS**  trans-38.1130.6162.2175.20000112.8
931L21.7Very low23.7Very low156 Ų156132.8 Ų132.882%0.81776%0.762SS**  trans-170.5160.1137.8-104.2159.1000111.5
932T21.5Very low24.1Very low115 Ų115126.8 Ų126.871%0.70675%0.754SS**  trans-49.4157167.748.30000114
933S22.1Very low24.3Very low101 Ų101125.1 Ų125.171%0.70674%0.744SS**  trans94.5136.4165.2830000119.1
934I22.1Very low24.6Very low164 Ų164121.8 Ų121.884%0.84174%0.735SS**  trans41.1107.1140.1-53.2165.5000118.1
935S22.3Very low24.8Very low102 Ų102122 Ų12271%0.71374%0.737SS**  trans-161.8114.6149.2-14.10000108.3
936S24.3Very low24.8Very low106 Ų106121.6 Ų121.674%0.74174%0.735SS**  73.4144.778.478.40000113.7
937S24.4Very low24.8Very low108 Ų108122.8 Ų122.876%0.75574%0.735SS**  cis177.4126.6-10.247.60000109.5
938S24.1Very low24.9Very low110 Ų110123.9 Ų123.977%0.76974%0.74SS**  trans-175129.5161.747.90000105.3
939I27.1Very low24.9Very low97 Ų97121.8 Ų121.850%0.49773%0.731SS.*  -170.3136.955.8-121.8144.1000109.8
940I28.7Very low25.2Very low109 Ų109124 Ų12456%0.55974%0.735SS**  trans60.2121.5157.6-43.1157.5000120.9P295P295-I940 HydrophobicContact CG-CD1 3.39Å; P295-I940 HydrophobicContact CG-CG1 3.66Å
941Q25.4Very low25.3Very low159 Ų159124.3 Ų124.374%0.74373%0.731SS**  trans-89148.6161-61.2167.8-68.500111.6
942P29.3Very low25.6Very low113 Ų113123.6 Ų123.673%0.73473%0.734SS**  trans-69.2147161.231-33.6000110.7N944P942-N944 PolarHBondContact O-N 3.31Å
943P26.7Very low25.8Very low69 Ų69121.7 Ų121.745%0.44874%0.737SS.*  trans-85.699.5-170.733-34.3000112.7
944N28.5Very low26.1Very low131 Ų131123.8 Ų123.870%0.70175%0.745SS**  trans-89.2142.1159.2-86.5-2.2000111.4P942P942-N944 PolarHBondContact O-N 3.31Å
945D28.7Very low26.2Very low148 Ų148123 Ų12379%0.79174%0.742SS**  trans65.8111.6162.3-53.3-26.2000120.2
946P26Very low26.4Very low112 Ų112123.2 Ų123.273%0.72774%0.744SS**  trans-94.5124.3148.733.6-24.7000111.3
947I25.9Very low26.4Very low152 Ų152125.3 Ų125.378%0.77975%0.746SS**  trans71.899147.7-49.2160.2000116.7
948L26.1Very low26.4Very low184 Ų184126.2 Ų126.296%0.96375%0.747SS**  -139.4121124.4-126.6129.9000108.8
949S23.9Very low26.5Very low101 Ų101125.1 Ų125.171%0.70675%0.753SS**  trans-115.3126.5-166.155.40000112.6
950S28.7Very low26.4Very low123 Ų123124.5 Ų124.586%0.8677%0.772SS**  trans-170.1161.2148.643.90000112.1
951N24Very low26.3Very low150 Ų150125.6 Ų125.680%0.80279%0.789SS**  trans-84.8176.3-160.2-71.1-36.6000116.4
952T29Very low26.3Very low142 Ų142121.3 Ų121.387%0.87179%0.787SS**  trans76.2127.1167.871.90000114.6
953G25Very low26.1Very low74 Ų74121 Ų12176%0.76379%0.788SS**  cis107.9116.22.700000112.3
954V28.5Very low25.9Very low146 Ų146124.5 Ų124.589%0.88581%0.808SS**  trans-176.1143.3150.2148.60000108
955N24.2Very low25.8Very low146 Ų146121.7 Ų121.778%0.78181%0.81SS**  trans-92.7176.9-179.3-68.7-44.8000112.8
956S25.9Very low25.6Very low108 Ų108123.4 Ų123.476%0.75581%0.811SS**  trans77.2154152.781.50000117.5
957L24.8Very low25.5Very low149 Ų149123.2 Ų123.278%0.7881%0.81SS**  cis-161.9147-17.4-112.1168.9000108.2
958T24.4Very low25.5Very low127 Ų127123.2 Ų123.278%0.77981%0.811SS**  trans14128.8152.355.20000122.3
959G24.9Very low25.8Very low87 Ų87120 Ų12090%0.89780%0.804SS**  trans117.2133.1131.700000118.3
960G26.7Very low26.2Very low85 Ų85120.2 Ų120.288%0.87680%0.796SS**  trans136.4119.7166.500000114.5
961S25.8Very low26.8Very low131 Ų131118.9 Ų118.992%0.91678%0.784SS**  trans-98.1147.8178.751.60000112.8
962G25.6Very low28.2Very low69 Ų69113 Ų11371%0.71176%0.759SS**  trans169.6105.2169.900000116.2
963S24.4Very low29.6Very low107 Ų107108 Ų10875%0.74873%0.725SS**  trans52117.2153.859.90000122
964T23.3Very low31.3Very low143 Ų143105.9 Ų105.988%0.87770%0.697SS**  trans6399.8137.459.90000120
965G25.8Very low33.4Very low72 Ų7299.4 Ų99.474%0.74266%0.657SS**  trans166.185.3162.900000115.1
966F24.1Very low35.6Very low184 Ų18492.6 Ų92.681%0.80762%0.621SS**  trans40.8102.7164.4-69.6-82.6000120.1
967P24.7Very low37.8Very low108 Ų10887.4 Ų87.470%0.70159%0.585SS**  trans-82.2159.8156.836-32.3000111.7
968N26Very low39.9Very low151 Ų15183 Ų8381%0.80757%0.565SS**  trans131.259.4159.1-66.2-9.9000115.4
969S31.8Very low42Very low116 Ų11680 Ų8081%0.81154%0.544SS*.  trans-131.474.3157.568.80000110.4P971S969-P971 WeakPolarHBondContact O-CD 3.21Å
970I33.2Very low44.6Very low106 Ų10676.5 Ų76.554%0.54451%0.505SS..  trans-75.4122.4175.3-58.6175.1000108.3G972 Y973I970-G972 PolarHBondContact O-N 3.09Å; I970-Y973 HydrophobicContact CB-CE2 4.01Å; I970-Y973 HydrophobicContact CG2-CE2 4.09Å
971P41.7Very low47.4Very low95 Ų9573.3 Ų73.362%0.61747%0.469SS*.THydrogen-bonded Turntrans-74.9120.317628.2-29.5000109.9S969S969-P971 WeakPolarHBondContact O-CD 3.21Å
972G52.2Low50.4Low26 Ų2667.2 Ų67.227%0.26843%0.426SS..THydrogen-bonded Turntrans166.1-16.6179.600000117I970 P974I970-G972 PolarHBondContact O-N 3.09Å; G972-P974 WeakPolarHBondContact O-CD 3.33Å
973Y58.5Low53.5Low39 Ų3964.1 Ų64.115%0.15339%0.393CS..  trans-117.384.5-164.8-43.1-46.9000113.2K809 I970 F975 E1012 S1016K809-Y973 PolarHBondContact NZ-O 2.92Å; I970-Y973 HydrophobicContact CB-CE2 4.01Å; I970-Y973 HydrophobicContact CG2-CE2 4.09Å; Y973-F975 PolarHBondContact O-N 3.24Å; Y973-E1012 HydrophobicContact CD1-CG 3.92Å; Y973-E1012 HydrophobicContact CE1-CG 3.58Å; Y973-S1016 WeakPolarHBondContact CD1-OG 3.46Å; Y973-S1016 WeakPolarHBondContact CE1-OG 3.49Å; Y973-S1016 VanDerWaalsContact CZ-OG 3.31Å
974P61.2Low56.5Low28 Ų2859 Ų5918%0.18236%0.358CS..SBendtrans-73.8-27.4-172.729.2-33.7000113.3T802 I805 L873 G972T802-P974 HydrophobicContact CG2-CB 4.12Å; I805-P974 WeakPolarHBondContact CG2-O 3.45Å; L873-P974 HydrophobicContact CD1-CG 4.47Å; L873-P974 HydrophobicContact CD2-CB 4.29Å; L873-P974 HydrophobicContact CD2-CG 4.17Å; G972-P974 WeakPolarHBondContact O-CD 3.33Å
975F71.5Confident59.7Low10 Ų1052.7 Ų52.74%0.04432%0.318CS..SBendtrans-107-3.9-171.7-59.2-52.2000115.2L801 T802 I805 F864 L868 Y973 V987 L991L801-F975 HydrophobicContact CD2-CD1 4.12Å; L801-F975 HydrophobicContact CD2-CE1 3.99Å; T802-F975 HydrophobicContact CG2-CE1 3.98Å; I805-F975 HydrophobicContact CD1-CD1 4.21Å; F864-F975 AromaticContact CE2-CE2 3.94Å; F864-F975 HydrophobicContact CE2-CE2 3.94Å; F864-F975 AromaticContact CE2-CZ 3.72Å; F864-F975 HydrophobicContact CE2-CZ 3.72Å; F864-F975 HydrophobicContact CZ-CE2 4.13Å; F864-F975 HydrophobicContact CZ-CZ 4.37Å; L868-F975 HydrophobicContact CD2-CE2 4.47Å; Y973-F975 PolarHBondContact O-N 3.24Å; F975-V987 HydrophobicContact CB-CG1 4.13Å; F975-L991 HydrophobicContact CD2-CD1 4.18Å
976L71.6Confident62.9Low3 Ų349.3 Ų49.32%0.01628%0.282CS..PPolyproline II helixtrans-93.5125.7-175.6-171.364.8000111.5K809 N984 S1016 M1017 Q1020K809-L976 WeakPolarHBondContact CE-O 3.49Å; K809-L976 PolarHBondContact NZ-O 3.25Å; L976-N984 HydrophobicContact CD1-CB 4.24Å; L976-N984 WeakPolarHBondContact CD1-ND2 3.33Å; L976-S1016 WeakPolarHBondContact CD2-O 3.31Å; L976-M1017 HydrophobicContact CD1-CG 3.51Å; L976-Q1020 HydrophobicContact CD2-CB 4.22Å; L976-Q1020 HydrophobicContact CD2-CG 4.03Å
977M72.7Confident66Low0 Ų040.7 Ų40.70%025%0.245CC..PPolyproline II helixtrans-101.5133.7169.9-65.2154.364.100109.3I805 V808 I847 N980 V983 N984I805-M977 HydrophobicContact CG1-CG 4.45Å; I805-M977 HydrophobicContact CG1-SD 4.47Å; I805-M977 HydrophobicContact CG2-CG 4Å; V808-M977 HydrophobicContact CB-CE 4.5Å; V808-M977 HydrophobicContact CG1-CE 3.91Å; V808-M977 HydrophobicContact CG1-CG 4.25Å; V808-M977 HydrophobicContact CG2-CE 4.09Å; I847-M977 HydrophobicContact CD1-CE 4.07Å; I847-M977 HydrophobicContact CD1-SD 3.89Å; I847-M977 HydrophobicContact CG2-SD 4.09Å; M977-N980 HydrophobicContact CB-CB 4.24Å; M977-N980 HydrophobicContact CE-CB 3.93Å; M977-N980 WeakPolarHBondContact CE-ND2 3.46Å; M977-V983 HydrophobicContact CE-CB 4.33Å; M977-V983 HydrophobicContact CE-CG1 4.08Å; M977-V983 HydrophobicContact SD-CB 4.33Å; M977-V983 HydrophobicContact SD-CG1 3.74Å; M977-N984 PolarHBondContact N-OD1 2.74Å; M977-N984 PolarHBondContact O-ND2 2.79Å; M977-N984 PolarHBondContact O-OD1 2.85Å
978C67.5Low69Low55 Ų5535.5 Ų35.537%0.37221%0.211SC..SBendtrans-65.4144.9174.2-52.80000110.1N980 Q1020C978-N980 PolarHBondContact O-N 2.79Å; C978-Q1020 PolarHBondContact SG-OE1 2.86Å
979D68.1Low72.1Confident64 Ų6428.3 Ų28.334%0.34217%0.173SC..SBendtrans62.3-23.3178.7-51.1-65.3000118.8V981 R1144D979-V981 VanDerWaalsContact C-N 3.34Å; D979-V981 PolarHBondContact O-N 2.82Å; D979-R1144 HydrophobicContact CB-CG 4.18Å; D979-R1144 IonicContact OD2-CZ 3.14Å; D979-R1144 IonicContact OD2-NE 2.75Å; D979-R1144 PolarHBondContact OD2-NE 2.99Å; D979-R1144 IonicContact OD2-NH2 2.73Å; D979-R1144 PolarHBondContact OD2-NH2 3.02Å
980N79.9Confident74.9Confident14 Ų1423 Ų238%0.07514%0.136CC..  trans-85.765.1-176.8-95-1.6000113.2D844 M977 C978 E982 V983 N984 N1147D844-N980 PolarHBondContact OD1-ND2 3.07Å; M977-N980 HydrophobicContact CB-CB 4.24Å; M977-N980 HydrophobicContact CE-CB 3.93Å; M977-N980 WeakPolarHBondContact CE-ND2 3.46Å; C978-N980 PolarHBondContact O-N 2.79Å; N980-E982 PolarHBondContact O-N 3.16Å; N980-V983 HydrophobicContact CB-CB 4.39Å; N980-V983 HydrophobicContact CB-CG2 4.41Å; N980-V983 PolarHBondContact O-N 3.4Å; N980-N984 VanDerWaalsContact O-CG 3.27Å; N980-N984 PolarHBondContact O-N 2.91Å; N980-N984 PolarHBondContact O-ND2 2.86Å; N980-N1147 PolarHBondContact OD1-ND2 3.26Å
981V86.1Confident77.4Confident19 Ų1918.6 Ų18.612%0.11511%0.113CC..Hα-helixtrans-52.5-45.1-176.1-175.80000113.5D979 N984 R985 C1021D979-V981 VanDerWaalsContact C-N 3.34Å; D979-V981 PolarHBondContact O-N 2.82Å; V981-N984 PolarHBondContact O-N 3.2Å; V981-R985 HydrophobicContact CG1-CG 4.4Å; V981-R985 WeakPolarHBondContact O-CB 3.5Å; V981-R985 WeakPolarHBondContact O-CG 3.49Å; V981-R985 PolarHBondContact O-N 3.26Å; V981-C1021 HydrophobicContact CG2-CB 4.03Å
982E89.5Confident79.6Confident3 Ų314 Ų141%0.0148%0.084CC..Hα-helixtrans-66.6-40.6-176.9-71.565.5-145.900112.1N980 R985 F986 R1151 L1195 F1196 M1199 H1200N980-E982 PolarHBondContact O-N 3.16Å; E982-R985 PolarHBondContact O-N 3.08Å; E982-F986 WeakPolarHBondContact O-CB 3.23Å; E982-F986 PolarHBondContact O-N 2.91Å; E982-R1151 IonicContact OE1-CZ 3.33Å; E982-R1151 IonicContact OE1-NE 2.69Å; E982-R1151 PolarHBondContact OE1-NE 3.18Å; E982-R1151 IonicContact OE1-NH2 3.17Å; E982-R1151 PolarHBondContact OE1-NH2 2.89Å; E982-R1151 VanDerWaalsContact OE1-NH2 3.17Å; E982-R1151 IonicContact OE2-CZ 3.62Å; E982-R1151 IonicContact OE2-NE 3.66Å; E982-R1151 IonicContact OE2-NH2 2.74Å; E982-R1151 PolarHBondContact OE2-NH2 3.42Å; E982-L1195 HydrophobicContact CB-CG 4.42Å; E982-F1196 HydrophobicContact CB-CE2 4.25Å; E982-F1196 HydrophobicContact CB-CZ 4.27Å; E982-F1196 HydrophobicContact CG-CD1 3.73Å; E982-F1196 HydrophobicContact CG-CD2 4.1Å; E982-F1196 HydrophobicContact CG-CE1 3.64Å; E982-F1196 HydrophobicContact CG-CE2 4.04Å; E982-F1196 HydrophobicContact CG-CG 3.95Å; E982-F1196 HydrophobicContact CG-CZ 3.8Å; E982-F1196 WeakPolarHBondContact OE2-CE1 3.24Å; E982-M1199 HydrophobicContact CB-CB 4.36Å; E982-M1199 HydrophobicContact CG-CB 4.49Å; E982-H1200 HydrophobicContact CG-CB 4.28Å
983V89.4Confident81.3Confident4 Ų412.8 Ų12.82%0.0247%0.071CC..Hα-helixtrans-68.8-42.7176.3-175.10000109.9I847 I848 M977 N980 R985 F986 V987 L1195I847-V983 HydrophobicContact CG2-CG1 3.89Å; I848-V983 HydrophobicContact CG1-CG1 4.36Å; M977-V983 HydrophobicContact CE-CB 4.33Å; M977-V983 HydrophobicContact CE-CG1 4.08Å; M977-V983 HydrophobicContact SD-CB 4.33Å; M977-V983 HydrophobicContact SD-CG1 3.74Å; N980-V983 HydrophobicContact CB-CB 4.39Å; N980-V983 HydrophobicContact CB-CG2 4.41Å; N980-V983 PolarHBondContact O-N 3.4Å; V983-R985 VanDerWaalsContact C-N 3.32Å; V983-R985 PolarHBondContact O-N 2.86Å; V983-F986 WeakPolarHBondContact O-CB 3.31Å; V983-F986 PolarHBondContact O-N 3.1Å; V983-V987 WeakPolarHBondContact O-CG2 3.32Å; V983-V987 PolarHBondContact O-N 3.43Å; V983-L1195 HydrophobicContact CG2-CD2 4.44Å
984N88.5Confident82.5Confident0 Ų011.1 Ų11.10%06%0.064CC..Hα-helixtrans-58.8-42.9174.5-67.1-30.2000112L976 M977 N980 V981 V987 L988 M1017L976-N984 HydrophobicContact CD1-CB 4.24Å; L976-N984 WeakPolarHBondContact CD1-ND2 3.33Å; M977-N984 PolarHBondContact N-OD1 2.74Å; M977-N984 PolarHBondContact O-ND2 2.79Å; M977-N984 PolarHBondContact O-OD1 2.85Å; N980-N984 VanDerWaalsContact O-CG 3.27Å; N980-N984 PolarHBondContact O-N 2.91Å; N980-N984 PolarHBondContact O-ND2 2.86Å; V981-N984 PolarHBondContact O-N 3.2Å; N984-V987 PolarHBondContact O-N 2.96Å; N984-L988 WeakPolarHBondContact O-CB 3.35Å; N984-L988 PolarHBondContact O-N 3.45Å; N984-M1017 HydrophobicContact CB-CE 4.24Å; N984-M1017 HydrophobicContact CB-SD 4.35Å
985R90.9Very high83.6Confident9 Ų99.9 Ų9.93%0.0346%0.056CC..Hα-helixtrans-66.6-38.7175.1-76.3176.5174.2-174.7-4112.4V981 E982 V983 L988 Y989 M1017 S1025 D1028 L1029 I1033 M1199 H1200V981-R985 HydrophobicContact CG1-CG 4.4Å; V981-R985 WeakPolarHBondContact O-CB 3.5Å; V981-R985 WeakPolarHBondContact O-CG 3.49Å; V981-R985 PolarHBondContact O-N 3.26Å; E982-R985 PolarHBondContact O-N 3.08Å; V983-R985 VanDerWaalsContact C-N 3.32Å; V983-R985 PolarHBondContact O-N 2.86Å; R985-L988 PolarHBondContact O-N 3.44Å; R985-Y989 WeakPolarHBondContact O-CB 3.31Å; R985-Y989 PolarHBondContact O-N 3.15Å; R985-M1017 HydrophobicContact CG-CE 3.94Å; R985-S1025 PolarHBondContact NE-O 3.49Å; R985-S1025 PolarHBondContact NH2-O 3.29Å; R985-D1028 PolarHBondContact NH1-O 3.38Å; R985-D1028 PolarHBondContact NH2-O 3.33Å; R985-L1029 HydrophobicContact CG-CD2 4.42Å; R985-I1033 HydrophobicContact CB-CD1 3.89Å; R985-I1033 HydrophobicContact CG-CD1 4.28Å; R985-I1033 WeakPolarHBondContact O-CD1 3.41Å; R985-M1199 WeakPolarHBondContact CD-O 3.31Å; R985-M1199 PolarHBondContact NH1-O 3.29Å; R985-H1200 PolarHBondContact NH1-O 2.64Å
986F91.7Very high84.1Confident1 Ų110 Ų100%0.0046%0.057CC..Hα-helixtrans-64.2-40174.4-171.4-77.9000112I848 R852 E982 V983 S990 L1195 M1199 L1318 V1321I848-F986 HydrophobicContact CB-CE1 4.37Å; I848-F986 HydrophobicContact CG1-CD1 4.23Å; I848-F986 HydrophobicContact CG2-CD1 4.24Å; I848-F986 HydrophobicContact CG2-CE1 3.69Å; I848-F986 HydrophobicContact CG2-CE2 4.3Å; I848-F986 HydrophobicContact CG2-CZ 3.71Å; R852-F986 HydrophobicContact CG-CE1 3.77Å; R852-F986 HydrophobicContact CG-CZ 3.81Å; E982-F986 WeakPolarHBondContact O-CB 3.23Å; E982-F986 PolarHBondContact O-N 2.91Å; V983-F986 WeakPolarHBondContact O-CB 3.31Å; V983-F986 PolarHBondContact O-N 3.1Å; F986-S990 WeakPolarHBondContact O-CB 3.32Å; F986-S990 PolarHBondContact O-N 3.02Å; F986-S990 PolarHBondContact O-OG 3.16Å; F986-L1195 HydrophobicContact CB-CD1 4.3Å; F986-L1195 HydrophobicContact CD2-CD1 3.77Å; F986-L1195 HydrophobicContact CG-CD1 4.31Å; F986-M1199 HydrophobicContact CB-CG 4.32Å; F986-M1199 HydrophobicContact CB-SD 4.23Å; F986-M1199 HydrophobicContact CD2-CG 4.25Å; F986-M1199 HydrophobicContact CD2-SD 4.28Å; F986-L1318 HydrophobicContact CE2-CD2 4.02Å; F986-V1321 HydrophobicContact CE2-CG2 3.64Å; F986-V1321 HydrophobicContact CZ-CG2 4.02Å
987V88.8Confident84.6Confident3 Ų310 Ų102%0.0186%0.057CC..Hα-helixtrans-66.4-45.1173.7175.40000110.5A851 F975 V983 N984 Y989 S990 L991A851-V987 HydrophobicContact CB-CG2 4.04Å; F975-V987 HydrophobicContact CB-CG1 4.13Å; V983-V987 WeakPolarHBondContact O-CG2 3.32Å; V983-V987 PolarHBondContact O-N 3.43Å; N984-V987 PolarHBondContact O-N 2.96Å; V987-Y989 PolarHBondContact O-N 3.44Å; V987-S990 WeakPolarHBondContact O-CB 3.31Å; V987-S990 PolarHBondContact O-N 3.37Å; V987-S990 VanDerWaalsContact O-N 3.13Å; V987-L991 HydrophobicContact CG1-CD1 4.01Å; V987-L991 HydrophobicContact CG1-CG 4.42Å; V987-L991 WeakPolarHBondContact O-CG 3.42Å; V987-L991 PolarHBondContact O-N 2.88Å
988L89.1Confident84.8Confident0 Ų011.2 Ų11.20%06%0.062CC..Hα-helixtrans-58-46.4174.2178.162.7000111.8N984 R985 S990 L991 L992 L1010 I1014 M1017 I1033N984-L988 WeakPolarHBondContact O-CB 3.35Å; N984-L988 PolarHBondContact O-N 3.45Å; R985-L988 PolarHBondContact O-N 3.44Å; L988-S990 VanDerWaalsContact C-N 3.31Å; L988-S990 PolarHBondContact O-N 2.95Å; L988-L991 PolarHBondContact O-N 3.22Å; L988-L992 HydrophobicContact CD1-CD1 4.22Å; L988-L992 HydrophobicContact CD1-CG 4.18Å; L988-L992 HydrophobicContact CG-CD1 4.07Å; L988-L992 HydrophobicContact CG-CG 4.44Å; L988-L992 WeakPolarHBondContact O-CG 3.46Å; L988-L992 PolarHBondContact O-N 3.3Å; L988-L1010 HydrophobicContact CD1-CD2 4.07Å; L988-I1014 HydrophobicContact CD1-CG1 4.32Å; L988-I1014 HydrophobicContact CD2-CD1 4.45Å; L988-I1014 HydrophobicContact CD2-CG1 4.32Å; L988-M1017 HydrophobicContact CD2-CE 4.33Å; L988-M1017 HydrophobicContact CD2-SD 4.17Å; L988-I1033 HydrophobicContact CD2-CG2 4.24Å
989Y91.1Very high85.2Confident0 Ų09.7 Ų9.70%05%0.05CC..Hα-helixtrans-57.2-45173.3171-109.3000111.7R985 V987 L991 L992 Q993 L1032 I1033 V1321 M1324R985-Y989 WeakPolarHBondContact O-CB 3.31Å; R985-Y989 PolarHBondContact O-N 3.15Å; V987-Y989 PolarHBondContact O-N 3.44Å; Y989-L991 VanDerWaalsContact C-N 3.29Å; Y989-L991 PolarHBondContact O-N 3.38Å; Y989-L992 PolarHBondContact O-N 2.99Å; Y989-Q993 WeakPolarHBondContact O-CB 3.24Å; Y989-Q993 PolarHBondContact O-N 3.25Å; Y989-Q993 PolarHBondContact OH-NE2 2.92Å; Y989-L1032 HydrophobicContact CD2-CB 4.18Å; Y989-L1032 HydrophobicContact CE2-CB 4.15Å; Y989-L1032 HydrophobicContact CE2-CD2 4.44Å; Y989-I1033 HydrophobicContact CD2-CG1 4.48Å; Y989-V1321 HydrophobicContact CD1-CG2 4.41Å; Y989-V1321 HydrophobicContact CE1-CG1 4.2Å; Y989-V1321 HydrophobicContact CE1-CG2 3.95Å; Y989-M1324 WeakPolarHBondContact OH-CB 3.12Å; Y989-M1324 VanDerWaalsContact OH-CG 3.26Å; Y989-M1324 WeakPolarHBondContact OH-CG 3.26Å
990S88.9Confident85.4Confident4 Ų47.4 Ų7.43%0.0284%0.038CC..Hα-helixtrans-63.4-35.5179.9-58.80000112.3Q855 F986 V987 L988 M994Q855-S990 PolarHBondContact NE2-O 2.83Å; F986-S990 WeakPolarHBondContact O-CB 3.32Å; F986-S990 PolarHBondContact O-N 3.02Å; F986-S990 PolarHBondContact O-OG 3.16Å; V987-S990 WeakPolarHBondContact O-CB 3.31Å; V987-S990 PolarHBondContact O-N 3.37Å; V987-S990 VanDerWaalsContact O-N 3.13Å; L988-S990 VanDerWaalsContact C-N 3.31Å; L988-S990 PolarHBondContact O-N 2.95Å; S990-M994 PolarHBondContact O-N 3.33Å
991L86.7Confident84.7Confident13 Ų1311.7 Ų11.77%0.0686%0.058CC..Hα-helixtrans-76.5-38.4176.5-68.5173.9000113.2F864 F975 V987 L988 Y989 M994 Y995 L1010 Q1013F864-L991 HydrophobicContact CE1-CD2 4.08Å; F864-L991 HydrophobicContact CE2-CD2 3.91Å; F864-L991 HydrophobicContact CZ-CD2 3.36Å; F975-L991 HydrophobicContact CD2-CD1 4.18Å; V987-L991 HydrophobicContact CG1-CD1 4.01Å; V987-L991 HydrophobicContact CG1-CG 4.42Å; V987-L991 WeakPolarHBondContact O-CG 3.42Å; V987-L991 PolarHBondContact O-N 2.88Å; L988-L991 PolarHBondContact O-N 3.22Å; Y989-L991 VanDerWaalsContact C-N 3.29Å; Y989-L991 PolarHBondContact O-N 3.38Å; L991-M994 HydrophobicContact CD2-CE 4.02Å; L991-M994 WeakPolarHBondContact O-CB 3.3Å; L991-M994 PolarHBondContact O-N 3.42Å; L991-Y995 WeakPolarHBondContact O-CB 3.45Å; L991-Y995 PolarHBondContact O-N 3.14Å; L991-L1010 HydrophobicContact CB-CD2 4.11Å; L991-Q1013 VanDerWaalsContact CD1-OE1 3.27Å
992L88.1Confident83.3Confident0 Ų013.6 Ų13.60%07%0.065CC..Hα-helixtrans-65.6-43.3174.2-70.9172.6000111.4L988 Y989 M994 Y995 H996 L1010 I1033 R1036 L1037 L1041L988-L992 HydrophobicContact CD1-CD1 4.22Å; L988-L992 HydrophobicContact CD1-CG 4.18Å; L988-L992 HydrophobicContact CG-CD1 4.07Å; L988-L992 HydrophobicContact CG-CG 4.44Å; L988-L992 WeakPolarHBondContact O-CG 3.46Å; L988-L992 PolarHBondContact O-N 3.3Å; Y989-L992 PolarHBondContact O-N 2.99Å; L992-M994 VanDerWaalsContact C-N 3.27Å; L992-M994 PolarHBondContact O-N 2.71Å; L992-Y995 WeakPolarHBondContact O-CB 3.4Å; L992-Y995 PolarHBondContact O-N 3.03Å; L992-Y995 VanDerWaalsContact O-N 3.15Å; L992-H996 PolarHBondContact O-CD2 3.48Å; L992-H996 VanDerWaalsContact O-CD2 3.27Å; L992-H996 PolarHBondContact O-N 3.4Å; L992-H996 VanDerWaalsContact O-N 3.07Å; L992-L1010 HydrophobicContact CD2-CD1 4.23Å; L992-L1010 HydrophobicContact CD2-CD2 4.27Å; L992-I1033 HydrophobicContact CD1-CG2 3.83Å; L992-R1036 HydrophobicContact CB-CB 4.32Å; L992-L1037 HydrophobicContact CD1-CD2 4.17Å; L992-L1041 HydrophobicContact CD2-CD1 4.01Å
993Q87.7Confident81.6Confident0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-62.8-34.6175.3-178.8169.855.200111.9Y989 T997 D1363Y989-Q993 WeakPolarHBondContact O-CB 3.24Å; Y989-Q993 PolarHBondContact O-N 3.25Å; Y989-Q993 PolarHBondContact OH-NE2 2.92Å; Q993-T997 WeakPolarHBondContact O-CB 3.28Å; Q993-T997 PolarHBondContact O-N 2.93Å; Q993-T997 PolarHBondContact O-OG1 3.35Å; Q993-D1363 HydrophobicContact CG-CB 4.35Å; Q993-D1363 PolarHBondContact NE2-OD2 3.21Å
994M84.6Confident79.9Confident3 Ų318.8 Ų18.82%0.01510%0.103CC..Hα-helixtrans-66.2-45.6170.4-176.7-144.1-71.600112.1I854 V860 F864 S990 L991 L992 H996 T997 F998 L1000I854-M994 HydrophobicContact CG2-CE 3.41Å; I854-M994 VanDerWaalsContact CG2-CE 3.41Å; V860-M994 HydrophobicContact CG1-CG 4.44Å; V860-M994 HydrophobicContact CG1-SD 4.39Å; V860-M994 HydrophobicContact CG2-CE 4.25Å; V860-M994 HydrophobicContact CG2-CG 3.56Å; V860-M994 HydrophobicContact CG2-SD 3.92Å; F864-M994 HydrophobicContact CD1-CE 3.62Å; F864-M994 HydrophobicContact CD1-SD 3.52Å; F864-M994 VanDerWaalsContact CD1-SD 3.52Å; F864-M994 HydrophobicContact CD2-CE 4.09Å; F864-M994 HydrophobicContact CE1-CE 3.73Å; F864-M994 HydrophobicContact CE1-SD 3.68Å; F864-M994 HydrophobicContact CE2-CE 4.2Å; F864-M994 HydrophobicContact CG-CE 3.81Å; F864-M994 HydrophobicContact CG-SD 4.24Å; F864-M994 HydrophobicContact CZ-CE 4.05Å; S990-M994 PolarHBondContact O-N 3.33Å; L991-M994 HydrophobicContact CD2-CE 4.02Å; L991-M994 WeakPolarHBondContact O-CB 3.3Å; L991-M994 PolarHBondContact O-N 3.42Å; L992-M994 VanDerWaalsContact C-N 3.27Å; L992-M994 PolarHBondContact O-N 2.71Å; M994-H996 VanDerWaalsContact C-N 3.27Å; M994-H996 PolarHBondContact O-N 2.73Å; M994-T997 PolarHBondContact O-N 3.24Å; M994-F998 HydrophobicContact CG-CD2 3.96Å; M994-F998 HydrophobicContact CG-CE2 4.39Å; M994-F998 WeakPolarHBondContact O-CD2 3.5Å; M994-F998 PolarHBondContact O-N 2.87Å; M994-L1000 HydrophobicContact CG-CD1 3.99Å; M994-L1000 HydrophobicContact SD-CD1 3.85Å
995Y82.6Confident78.7Confident3 Ų319.4 Ų19.41%0.01211%0.11CC..Hα-helixtrans-54.4-44.2179.5171-84.8000111.9L991 L992 D999 L1000 E1001 I1006 L1010 P1038L991-Y995 WeakPolarHBondContact O-CB 3.45Å; L991-Y995 PolarHBondContact O-N 3.14Å; L992-Y995 WeakPolarHBondContact O-CB 3.4Å; L992-Y995 PolarHBondContact O-N 3.03Å; L992-Y995 VanDerWaalsContact O-N 3.15Å; Y995-D999 PolarHBondContact O-N 3.03Å; Y995-L1000 HydrophobicContact CD2-CB 4.28Å; Y995-L1000 PolarHBondContact O-N 2.97Å; Y995-E1001 HydrophobicContact CE1-CG 4.21Å; Y995-E1001 WeakPolarHBondContact OH-CA 3.49Å; Y995-I1006 HydrophobicContact CD2-CG2 3.97Å; Y995-L1010 HydrophobicContact CD2-CD1 3.89Å; Y995-L1010 HydrophobicContact CE2-CD1 4.46Å; Y995-L1010 HydrophobicContact CG-CD1 4.27Å; Y995-P1038 HydrophobicContact CD1-CG 4.21Å; Y995-P1038 HydrophobicContact CE1-CB 4.44Å; Y995-P1038 HydrophobicContact CE1-CG 3.55Å
996H82.2Confident77.9Confident13 Ų1319.3 Ų19.36%0.0611%0.11CC..Hα-helixtrans-74.1-53.8177.5-77.6-68.7000112.7L992 M994 F998 D999 R1036 E1366 F1367L992-H996 PolarHBondContact O-CD2 3.48Å; L992-H996 VanDerWaalsContact O-CD2 3.27Å; L992-H996 PolarHBondContact O-N 3.4Å; L992-H996 VanDerWaalsContact O-N 3.07Å; M994-H996 VanDerWaalsContact C-N 3.27Å; M994-H996 PolarHBondContact O-N 2.73Å; H996-F998 PolarHBondContact O-N 3.04Å; H996-D999 PolarHBondContact O-N 2.87Å; H996-R1036 PolarHBondContact NE2-O 3.47Å; H996-E1366 WeakPolarHBondContact CB-OE2 3.37Å; H996-E1366 IonicContact CE1-OE1 3.73Å; H996-E1366 IonicContact CG-OE1 3.8Å; H996-E1366 IonicContact CG-OE2 3.73Å; H996-E1366 IonicContact ND1-OE1 3.33Å; H996-E1366 PolarHBondContact ND1-OE1 2.95Å; H996-E1366 IonicContact ND1-OE2 2.75Å; H996-F1367 HydrophobicContact CB-CE2 4.21Å; H996-F1367 HydrophobicContact CB-CZ 4.47Å; H996-F1367 AromaticContact CD2-CZ 3.71Å; H996-F1367 AromaticContact CE1-CZ 3.63Å; H996-F1367 AromaticContact CG-CE2 3.89Å; H996-F1367 AromaticContact CG-CZ 3.67Å; H996-F1367 AromaticContact ND1-CZ 3.6Å; H996-F1367 AromaticContact NE2-CZ 3.71Å
997T82Confident77.1Confident2 Ų224.2 Ų24.21%0.01213%0.129CC..Hα-helixtrans-57.3-24.8-176-56.10000114.6Q993 M994 Y1358 T1359 H1362Q993-T997 WeakPolarHBondContact O-CB 3.28Å; Q993-T997 PolarHBondContact O-N 2.93Å; Q993-T997 PolarHBondContact O-OG1 3.35Å; M994-T997 PolarHBondContact O-N 3.24Å; T997-Y1358 HydrophobicContact CG2-CE1 3.96Å; T997-T1359 HydrophobicContact CG2-CG2 4.14Å; T997-H1362 HydrophobicContact CG2-CB 4.14Å; T997-H1362 PolarHBondContact O-CE1 3.46Å
998F78.1Confident76.3Confident25 Ų2527.3 Ų27.311%0.1115%0.149CC..THydrogen-bonded Turntrans-11817.6-178.1-60-81.7000113.5P857 V860 M994 H996 L1000 Y1358 N1793P857-F998 HydrophobicContact CB-CE1 3.88Å; P857-F998 HydrophobicContact CB-CZ 4.11Å; P857-F998 HydrophobicContact CG-CE1 3.96Å; P857-F998 HydrophobicContact CG-CZ 3.89Å; V860-F998 HydrophobicContact CB-CD2 4.36Å; V860-F998 HydrophobicContact CB-CG 4.41Å; V860-F998 HydrophobicContact CG1-CB 4.09Å; V860-F998 HydrophobicContact CG1-CD1 4.49Å; V860-F998 HydrophobicContact CG1-CD2 4.2Å; V860-F998 HydrophobicContact CG1-CG 4.01Å; V860-F998 HydrophobicContact CG2-CD2 3.75Å; V860-F998 HydrophobicContact CG2-CE2 3.67Å; V860-F998 HydrophobicContact CG2-CG 4.3Å; V860-F998 HydrophobicContact CG2-CZ 4.15Å; M994-F998 HydrophobicContact CG-CD2 3.96Å; M994-F998 HydrophobicContact CG-CE2 4.39Å; M994-F998 WeakPolarHBondContact O-CD2 3.5Å; M994-F998 PolarHBondContact O-N 2.87Å; H996-F998 PolarHBondContact O-N 3.04Å; F998-L1000 HydrophobicContact CB-CD1 4.06Å; F998-L1000 HydrophobicContact CB-CD2 3.99Å; F998-L1000 HydrophobicContact CB-CG 3.86Å; F998-L1000 WeakPolarHBondContact O-CD2 3.28Å; F998-L1000 PolarHBondContact O-N 3.45Å; F998-Y1358 HydrophobicContact CE1-CE1 4.32Å; F998-Y1358 HydrophobicContact CZ-CE1 4.47Å; F998-N1793 PolarHBondContact O-ND2 3.03Å
999D74.5Confident75.6Confident24 Ų2428.3 Ų28.313%0.12815%0.154CC..THydrogen-bonded Turntrans51.645.2177.3-70.3-43.7000113.3Y995 H996 E1001 R1623 S1795 H1796Y995-D999 PolarHBondContact O-N 3.03Å; H996-D999 PolarHBondContact O-N 2.87Å; D999-E1001 VanDerWaalsContact C-N 3.27Å; D999-E1001 PolarHBondContact O-N 3.07Å; D999-E1001 VanDerWaalsContact O-N 3.14Å; D999-R1623 IonicContact OD2-CZ 3.59Å; D999-R1623 VanDerWaalsContact OD2-CZ 3.3Å; D999-R1623 IonicContact OD2-NH1 3.84Å; D999-R1623 PolarHBondContact OD2-NH1 3.48Å; D999-R1623 IonicContact OD2-NH2 3.33Å; D999-R1623 PolarHBondContact OD2-NH2 3.1Å; D999-S1795 WeakPolarHBondContact O-CB 3.46Å; D999-S1795 PolarHBondContact O-OG 3.41Å; D999-H1796 WeakPolarHBondContact CB-NE2 3.37Å; D999-H1796 IonicContact OD1-NE2 3.71Å; D999-H1796 IonicContact OD2-CD2 2.79Å; D999-H1796 IonicContact OD2-CE1 3.86Å; D999-H1796 CovalentContact OD2-NE2 1.78Å; D999-H1796 IonicContact OD2-NE2 2.82Å; D999-H1796 PolarHBondContact OD2-NE2 2.75Å
1000L73.2Confident75.2Confident15 Ų1528.4 Ų28.48%0.07915%0.154CC..  trans-84.220.1-166.4-57.7174.9000115.3V860 M994 Y995 F998 E1002 A1003 I1006V860-L1000 HydrophobicContact CG1-CD1 3.89Å; V860-L1000 HydrophobicContact CG1-CD2 4.27Å; M994-L1000 HydrophobicContact CG-CD1 3.99Å; M994-L1000 HydrophobicContact SD-CD1 3.85Å; Y995-L1000 HydrophobicContact CD2-CB 4.28Å; Y995-L1000 PolarHBondContact O-N 2.97Å; F998-L1000 HydrophobicContact CB-CD1 4.06Å; F998-L1000 HydrophobicContact CB-CD2 3.99Å; F998-L1000 HydrophobicContact CB-CG 3.86Å; F998-L1000 WeakPolarHBondContact O-CD2 3.28Å; F998-L1000 PolarHBondContact O-N 3.45Å; L1000-E1002 VanDerWaalsContact C-N 3.33Å; L1000-E1002 PolarHBondContact O-N 3.26Å; L1000-E1002 VanDerWaalsContact O-N 3.17Å; L1000-A1003 HydrophobicContact CB-CB 4.21Å; L1000-A1003 VanDerWaalsContact O-CB 3.31Å; L1000-A1003 WeakPolarHBondContact O-CB 3.48Å; L1000-A1003 PolarHBondContact O-N 3.42Å; L1000-I1006 HydrophobicContact CB-CD1 3.98Å; L1000-I1006 HydrophobicContact CD1-CD1 3.41Å; L1000-I1006 VanDerWaalsContact CD1-CD1 3.41Å; L1000-I1006 HydrophobicContact CD2-CD1 4.48Å; L1000-I1006 HydrophobicContact CG-CD1 4.14Å
1001E64.6Low74.9Confident105 Ų10529.4 Ų29.449%0.49116%0.16SC..THydrogen-bonded Turntrans-58.4-35.2-165.7-55.9-157.1116.600116.4Y995 D999 R1007Y995-E1001 HydrophobicContact CE1-CG 4.21Å; Y995-E1001 WeakPolarHBondContact OH-CA 3.49Å; D999-E1001 VanDerWaalsContact C-N 3.27Å; D999-E1001 PolarHBondContact O-N 3.07Å; D999-E1001 VanDerWaalsContact O-N 3.14Å; E1001-R1007 PolarHBondContact O-NH1 3.13Å
1002E56.3Low74.5Confident58 Ų5831.6 Ų31.627%0.27117%0.17SC..THydrogen-bonded Turntrans-104.20.9179.8-77.6-153.6-166.500112.9L1000 S1004 A1798 R1836 K1839L1000-E1002 VanDerWaalsContact C-N 3.33Å; L1000-E1002 PolarHBondContact O-N 3.26Å; L1000-E1002 VanDerWaalsContact O-N 3.17Å; E1002-S1004 PolarHBondContact O-N 3.35Å; E1002-S1004 VanDerWaalsContact O-N 3.15Å; E1002-A1798 WeakPolarHBondContact OE2-CB 3.41Å; E1002-R1836 PolarHBondContact O-NH1 3.09Å; E1002-R1836 PolarHBondContact O-NH2 3Å; E1002-R1836 IonicContact OE2-CZ 3.07Å; E1002-R1836 IonicContact OE2-NH1 3.96Å; E1002-R1836 PolarHBondContact OE2-NH1 3.31Å; E1002-K1839 VanDerWaalsContact OE1-CE 3.25Å; E1002-K1839 WeakPolarHBondContact OE1-CE 3.41Å; E1002-K1839 IonicContact OE1-NZ 2.76Å; E1002-K1839 PolarHBondContact OE1-NZ 2.92Å
1003A55.6Low74.1Confident23 Ų2332.1 Ų32.119%0.1917%0.173CC..  trans-62.8116.5-178.900000110.5L1000 G1005 I1006L1000-A1003 HydrophobicContact CB-CB 4.21Å; L1000-A1003 VanDerWaalsContact O-CB 3.31Å; L1000-A1003 WeakPolarHBondContact O-CB 3.48Å; L1000-A1003 PolarHBondContact O-N 3.42Å; A1003-G1005 PolarHBondContact O-N 2.9Å; A1003-I1006 HydrophobicContact CB-CD1 4.24Å; A1003-I1006 PolarHBondContact O-N 3.44Å; A1003-I1006 VanDerWaalsContact O-N 3.09Å
1004S53.2Low74Confident93 Ų9332.1 Ų32.165%0.6517%0.173SC*.THydrogen-bonded Turntrans-62.1-21-159.751.10000115.4E1002 P1008E1002-S1004 PolarHBondContact O-N 3.35Å; E1002-S1004 VanDerWaalsContact O-N 3.15Å; S1004-P1008 WeakPolarHBondContact O-CD 3.43Å; S1004-P1008 VanDerWaalsContact O-CG 3.32Å; S1004-P1008 WeakPolarHBondContact O-CG 3.29Å
1005G63.8Low73.9Confident13 Ų1334.8 Ų34.813%0.13418%0.183CC..THydrogen-bonded Turntrans-95.7-26.5176.600000115.7A1003 P1008 N1009A1003-G1005 PolarHBondContact O-N 2.9Å; G1005-P1008 WeakPolarHBondContact O-CG 3.41Å; G1005-N1009 VanDerWaalsContact O-CB 3.24Å; G1005-N1009 WeakPolarHBondContact O-CB 3.34Å; G1005-N1009 PolarHBondContact O-N 3.14Å
1006I72.5Confident73.6Confident8 Ų834.7 Ų34.74%0.04118%0.182CC..Hα-helixtrans-81-45-169.3-66173.4000111.5F864 L868 Y995 L1000 A1003 N1009 L1010F864-I1006 HydrophobicContact CD1-CD1 4.1Å; F864-I1006 HydrophobicContact CD1-CG1 4.39Å; F864-I1006 HydrophobicContact CE1-CD1 4.08Å; F864-I1006 HydrophobicContact CE1-CG1 4.05Å; L868-I1006 HydrophobicContact CD1-CB 4.35Å; L868-I1006 HydrophobicContact CD1-CD1 4.42Å; L868-I1006 HydrophobicContact CD1-CG1 3.39Å; Y995-I1006 HydrophobicContact CD2-CG2 3.97Å; L1000-I1006 HydrophobicContact CB-CD1 3.98Å; L1000-I1006 HydrophobicContact CD1-CD1 3.41Å; L1000-I1006 VanDerWaalsContact CD1-CD1 3.41Å; L1000-I1006 HydrophobicContact CD2-CD1 4.48Å; L1000-I1006 HydrophobicContact CG-CD1 4.14Å; A1003-I1006 HydrophobicContact CB-CD1 4.24Å; A1003-I1006 PolarHBondContact O-N 3.44Å; A1003-I1006 VanDerWaalsContact O-N 3.09Å; I1006-N1009 PolarHBondContact O-N 2.96Å; I1006-N1009 VanDerWaalsContact O-N 3.12Å; I1006-L1010 HydrophobicContact CG2-CD1 3.88Å; I1006-L1010 HydrophobicContact CG2-CG 4.19Å; I1006-L1010 PolarHBondContact O-N 3.21Å
1007R74.9Confident73.6Confident104 Ų10434 Ų3439%0.39218%0.179SC..Hα-helixtrans-54.6-51.4176.8-157.7-175.7-166.1121.7-7.5112.5E1001 L1010 V1011 F1040E1001-R1007 PolarHBondContact O-NH1 3.13Å; R1007-L1010 PolarHBondContact O-N 3.07Å; R1007-V1011 WeakPolarHBondContact O-CG2 3.39Å; R1007-V1011 PolarHBondContact O-N 2.87Å; R1007-V1011 VanDerWaalsContact O-N 3.15Å; R1007-F1040 HydrophobicContact CB-CZ 4.5Å; R1007-F1040 HydrophobicContact CG-CD2 4.07Å; R1007-F1040 HydrophobicContact CG-CE1 3.98Å; R1007-F1040 HydrophobicContact CG-CE2 3.47Å; R1007-F1040 VanDerWaalsContact CG-CE2 3.47Å; R1007-F1040 HydrophobicContact CG-CZ 3.44Å; R1007-F1040 VanDerWaalsContact CG-CZ 3.44Å; R1007-F1040 VanDerWaalsContact NH2-CD1 3.3Å
1008P72.4Confident73.7Confident68 Ų6834.7 Ų34.744%0.44218%0.183SC..Hα-helixtrans-66.2-36174.525.4-33000112.6S1004 G1005 L1010 V1011 E1012S1004-P1008 WeakPolarHBondContact O-CD 3.43Å; S1004-P1008 VanDerWaalsContact O-CG 3.32Å; S1004-P1008 WeakPolarHBondContact O-CG 3.29Å; G1005-P1008 WeakPolarHBondContact O-CG 3.41Å; P1008-L1010 PolarHBondContact O-N 3.38Å; P1008-V1011 PolarHBondContact O-N 3.19Å; P1008-E1012 VanDerWaalsContact O-CB 3.22Å; P1008-E1012 WeakPolarHBondContact O-CB 3.46Å; P1008-E1012 PolarHBondContact O-N 3.44Å
1009N75.5Confident73.8Confident21 Ų2138.9 Ų38.911%0.11220%0.203CC..Hα-helixtrans-61.7-42.1177-170.8-88.5000112.6L868 G1005 I1006 E1012 Q1013L868-N1009 HydrophobicContact CD1-CB 4.44Å; L868-N1009 HydrophobicContact CD2-CB 4.01Å; L868-N1009 VanDerWaalsContact CD2-ND2 3.29Å; L868-N1009 WeakPolarHBondContact CD2-ND2 3.48Å; G1005-N1009 VanDerWaalsContact O-CB 3.24Å; G1005-N1009 WeakPolarHBondContact O-CB 3.34Å; G1005-N1009 PolarHBondContact O-N 3.14Å; I1006-N1009 PolarHBondContact O-N 2.96Å; I1006-N1009 VanDerWaalsContact O-N 3.12Å; N1009-E1012 PolarHBondContact O-N 3.35Å; N1009-Q1013 VanDerWaalsContact O-CB 3.3Å; N1009-Q1013 WeakPolarHBondContact O-CB 3.38Å; N1009-Q1013 PolarHBondContact O-N 3.26Å
1010L82.7Confident73.9Confident1 Ų141.1 Ų41.11%0.00521%0.213CC..Hα-helixtrans-66.5-43.2176-71.8172.1000112.3L988 L991 L992 Y995 I1006 R1007 P1008 E1012 Q1013 I1014 L1041L988-L1010 HydrophobicContact CD1-CD2 4.07Å; L991-L1010 HydrophobicContact CB-CD2 4.11Å; L992-L1010 HydrophobicContact CD2-CD1 4.23Å; L992-L1010 HydrophobicContact CD2-CD2 4.27Å; Y995-L1010 HydrophobicContact CD2-CD1 3.89Å; Y995-L1010 HydrophobicContact CE2-CD1 4.46Å; Y995-L1010 HydrophobicContact CG-CD1 4.27Å; I1006-L1010 HydrophobicContact CG2-CD1 3.88Å; I1006-L1010 HydrophobicContact CG2-CG 4.19Å; I1006-L1010 PolarHBondContact O-N 3.21Å; R1007-L1010 PolarHBondContact O-N 3.07Å; P1008-L1010 PolarHBondContact O-N 3.38Å; L1010-E1012 VanDerWaalsContact C-N 3.3Å; L1010-E1012 PolarHBondContact O-N 2.94Å; L1010-Q1013 PolarHBondContact O-N 3.07Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.49Å; L1010-I1014 PolarHBondContact O-N 3.49Å; L1010-L1041 HydrophobicContact CB-CD1 4.15Å; L1010-L1041 HydrophobicContact CB-CD2 4.32Å
1011V82.5Confident74Confident25 Ų2541.8 Ų41.815%0.15222%0.219CC..Hα-helixtrans-58.6-45.5173.21720000110.3R1007 P1008 I1014 R1015 F1040 L1041 V1044R1007-V1011 WeakPolarHBondContact O-CG2 3.39Å; R1007-V1011 PolarHBondContact O-N 2.87Å; R1007-V1011 VanDerWaalsContact O-N 3.15Å; P1008-V1011 PolarHBondContact O-N 3.19Å; V1011-I1014 PolarHBondContact O-N 2.91Å; V1011-R1015 WeakPolarHBondContact O-CB 3.46Å; V1011-R1015 PolarHBondContact O-N 3.37Å; V1011-F1040 HydrophobicContact CG2-CD2 3.88Å; V1011-F1040 HydrophobicContact CG2-CE2 3.75Å; V1011-L1041 HydrophobicContact CG2-CD2 3.85Å; V1011-V1044 HydrophobicContact CG1-CG1 4.44Å; V1011-V1044 HydrophobicContact CG1-CG2 4.3Å; V1011-V1044 HydrophobicContact CG2-CG2 4.44Å
1012E77Confident74.7Confident60 Ų6038 Ų3828%0.2821%0.208SC..Hα-helixtrans-67.5-41.1-178.8-160.362.7-113.300111.9Y973 P1008 N1009 L1010 R1015 S1016Y973-E1012 HydrophobicContact CD1-CG 3.92Å; Y973-E1012 HydrophobicContact CE1-CG 3.58Å; P1008-E1012 VanDerWaalsContact O-CB 3.22Å; P1008-E1012 WeakPolarHBondContact O-CB 3.46Å; P1008-E1012 PolarHBondContact O-N 3.44Å; N1009-E1012 PolarHBondContact O-N 3.35Å; L1010-E1012 VanDerWaalsContact C-N 3.3Å; L1010-E1012 PolarHBondContact O-N 2.94Å; E1012-R1015 PolarHBondContact O-N 3.24Å; E1012-R1015 IonicContact OE1-CZ 3.19Å; E1012-R1015 IonicContact OE1-NH1 2.73Å; E1012-R1015 PolarHBondContact OE1-NH1 3.46Å; E1012-R1015 IonicContact OE2-CZ 2.88Å; E1012-R1015 IonicContact OE2-NH1 3.91Å; E1012-R1015 PolarHBondContact OE2-NH1 3.07Å; E1012-S1016 WeakPolarHBondContact O-CB 3.47Å; E1012-S1016 PolarHBondContact O-N 3.13Å; E1012-S1016 PolarHBondContact O-OG 3.49Å
1013Q81.2Confident75.9Confident11 Ų1138.2 Ų38.25%0.05121%0.214CC..Hα-helixtrans-61.6-45175.2-172.7178.716.900111L991 N1009 L1010 S1016 M1017L991-Q1013 VanDerWaalsContact CD1-OE1 3.27Å; N1009-Q1013 VanDerWaalsContact O-CB 3.3Å; N1009-Q1013 WeakPolarHBondContact O-CB 3.38Å; N1009-Q1013 PolarHBondContact O-N 3.26Å; L1010-Q1013 PolarHBondContact O-N 3.07Å; Q1013-S1016 PolarHBondContact O-N 3.1Å; Q1013-M1017 HydrophobicContact CG-SD 4.22Å; Q1013-M1017 WeakPolarHBondContact O-CB 3.36Å; Q1013-M1017 VanDerWaalsContact O-CG 3.22Å; Q1013-M1017 WeakPolarHBondContact O-CG 3.41Å; Q1013-M1017 PolarHBondContact O-N 3.21Å
1014I84.2Confident76.9Confident0 Ų043 Ų430%024%0.237CC..Hα-helixtrans-66.7-44.2177.2-71.3-166.8000111.6L988 L1010 V1011 S1016 M1017 C1018 L1026 L1037 L1041 V1044 I1045 L1048L988-I1014 HydrophobicContact CD1-CG1 4.32Å; L988-I1014 HydrophobicContact CD2-CD1 4.45Å; L988-I1014 HydrophobicContact CD2-CG1 4.32Å; L1010-I1014 WeakPolarHBondContact O-CG1 3.49Å; L1010-I1014 PolarHBondContact O-N 3.49Å; V1011-I1014 PolarHBondContact O-N 2.91Å; I1014-S1016 VanDerWaalsContact C-N 3.35Å; I1014-S1016 PolarHBondContact O-N 3.04Å; I1014-M1017 PolarHBondContact O-N 3.43Å; I1014-C1018 PolarHBondContact O-N 3.28Å; I1014-L1026 HydrophobicContact CG2-CD1 3.66Å; I1014-L1026 HydrophobicContact CG2-CD2 4.05Å; I1014-L1037 HydrophobicContact CD1-CD2 4.25Å; I1014-L1041 HydrophobicContact CD1-CB 4.23Å; I1014-L1041 HydrophobicContact CD1-CD1 3.85Å; I1014-L1041 HydrophobicContact CD1-CD2 4.13Å; I1014-L1041 HydrophobicContact CD1-CG 4.29Å; I1014-V1044 HydrophobicContact CG2-CG1 4.39Å; I1014-I1045 HydrophobicContact CD1-CD1 4.11Å; I1014-I1045 HydrophobicContact CD1-CG1 4.35Å; I1014-I1045 HydrophobicContact CG2-CG1 3.83Å; I1014-L1048 HydrophobicContact CG2-CD1 4.1Å
1015R82.2Confident78.2Confident59 Ų5938.9 Ų38.922%0.22321%0.208CC..Hα-helixtrans-57.1-50174.5-173.4-173.2-59.8109.9-0.7110.9V1011 E1012 M1017 C1018 E1019 L1048V1011-R1015 WeakPolarHBondContact O-CB 3.46Å; V1011-R1015 PolarHBondContact O-N 3.37Å; E1012-R1015 PolarHBondContact O-N 3.24Å; E1012-R1015 IonicContact OE1-CZ 3.19Å; E1012-R1015 IonicContact OE1-NH1 2.73Å; E1012-R1015 PolarHBondContact OE1-NH1 3.46Å; E1012-R1015 IonicContact OE2-CZ 2.88Å; E1012-R1015 IonicContact OE2-NH1 3.91Å; E1012-R1015 PolarHBondContact OE2-NH1 3.07Å; R1015-M1017 VanDerWaalsContact C-N 3.35Å; R1015-M1017 PolarHBondContact O-N 2.81Å; R1015-C1018 WeakPolarHBondContact O-CA 3.36Å; R1015-C1018 VanDerWaalsContact O-CB 3.24Å; R1015-C1018 WeakPolarHBondContact O-CB 3.24Å; R1015-C1018 PolarHBondContact O-N 3.38Å; R1015-E1019 WeakPolarHBondContact CD-OE1 3.5Å; R1015-E1019 HydrophobicContact CG-CG 4.48Å; R1015-E1019 VanDerWaalsContact CG-OE1 3.27Å; R1015-E1019 WeakPolarHBondContact CG-OE1 3.36Å; R1015-E1019 WeakPolarHBondContact O-CG 3.42Å; R1015-E1019 PolarHBondContact O-N 2.92Å; R1015-L1048 HydrophobicContact CB-CD1 4.47Å; R1015-L1048 HydrophobicContact CG-CD2 4.39Å
1016S77Confident79.1Confident0 Ų038.4 Ų38.40%020%0.202CC..Hα-helixtrans-67.1-33.7-178.2-53.50000112.7Y973 L976 E1012 Q1013 I1014 E1019 Q1020Y973-S1016 WeakPolarHBondContact CD1-OG 3.46Å; Y973-S1016 WeakPolarHBondContact CE1-OG 3.49Å; Y973-S1016 VanDerWaalsContact CZ-OG 3.31Å; L976-S1016 WeakPolarHBondContact CD2-O 3.31Å; E1012-S1016 WeakPolarHBondContact O-CB 3.47Å; E1012-S1016 PolarHBondContact O-N 3.13Å; E1012-S1016 PolarHBondContact O-OG 3.49Å; Q1013-S1016 PolarHBondContact O-N 3.1Å; I1014-S1016 VanDerWaalsContact C-N 3.35Å; I1014-S1016 PolarHBondContact O-N 3.04Å; S1016-E1019 PolarHBondContact O-N 3.11Å; S1016-Q1020 WeakPolarHBondContact O-CB 3.48Å; S1016-Q1020 WeakPolarHBondContact O-CG 3.49Å; S1016-Q1020 PolarHBondContact O-N 2.97Å
1017M82.8Confident79.4Confident0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-63-41.8169.8-78175.564.900111.2L976 N984 R985 L988 Q1013 I1014 R1015 C1021 S1025 L1026L976-M1017 HydrophobicContact CD1-CG 3.51Å; N984-M1017 HydrophobicContact CB-CE 4.24Å; N984-M1017 HydrophobicContact CB-SD 4.35Å; R985-M1017 HydrophobicContact CG-CE 3.94Å; L988-M1017 HydrophobicContact CD2-CE 4.33Å; L988-M1017 HydrophobicContact CD2-SD 4.17Å; Q1013-M1017 HydrophobicContact CG-SD 4.22Å; Q1013-M1017 WeakPolarHBondContact O-CB 3.36Å; Q1013-M1017 VanDerWaalsContact O-CG 3.22Å; Q1013-M1017 WeakPolarHBondContact O-CG 3.41Å; Q1013-M1017 PolarHBondContact O-N 3.21Å; I1014-M1017 PolarHBondContact O-N 3.43Å; R1015-M1017 VanDerWaalsContact C-N 3.35Å; R1015-M1017 PolarHBondContact O-N 2.81Å; M1017-C1021 WeakPolarHBondContact O-CA 3.39Å; M1017-C1021 VanDerWaalsContact O-CB 3.23Å; M1017-C1021 WeakPolarHBondContact O-CB 3.46Å; M1017-C1021 PolarHBondContact O-N 2.89Å; M1017-S1025 PolarHBondContact O-OG 3.35Å; M1017-L1026 HydrophobicContact CB-CD2 4.34Å
1018C84Confident79.5Confident15 Ų1536.1 Ų36.110%0.10120%0.197CC..Hα-helixtrans-61.4-47.1173.7-1600000111.8I1014 R1015 G1022 L1026 L1048I1014-C1018 PolarHBondContact O-N 3.28Å; R1015-C1018 WeakPolarHBondContact O-CA 3.36Å; R1015-C1018 VanDerWaalsContact O-CB 3.24Å; R1015-C1018 WeakPolarHBondContact O-CB 3.24Å; R1015-C1018 PolarHBondContact O-N 3.38Å; C1018-G1022 CarbonylContact O-C 3.55Å; C1018-G1022 VanDerWaalsContact O-C 3.27Å; C1018-G1022 WeakPolarHBondContact O-CA 3.16Å; C1018-G1022 PolarHBondContact O-N 3.18Å; C1018-L1026 HydrophobicContact CB-CD1 3.67Å; C1018-L1026 HydrophobicContact CB-CG 4.5Å; C1018-L1048 HydrophobicContact CB-CD1 4.21Å
1019E80.5Confident80.2Confident113 Ų11333.1 Ų33.153%0.52818%0.177SC..Hα-helixtrans-67.1-41-177.7-70.8172.4-173.500113R1015 S1016R1015-E1019 WeakPolarHBondContact CD-OE1 3.5Å; R1015-E1019 HydrophobicContact CG-CG 4.48Å; R1015-E1019 VanDerWaalsContact CG-OE1 3.27Å; R1015-E1019 WeakPolarHBondContact CG-OE1 3.36Å; R1015-E1019 WeakPolarHBondContact O-CG 3.42Å; R1015-E1019 PolarHBondContact O-N 2.92Å; S1016-E1019 PolarHBondContact O-N 3.11Å
1020Q75.1Confident80.7Confident71 Ų7132.2 Ų32.233%0.33217%0.173SC..Hα-helixtrans-95.2-30.9-174.9-62-172.716.800114.4L976 C978 S1016L976-Q1020 HydrophobicContact CD2-CB 4.22Å; L976-Q1020 HydrophobicContact CD2-CG 4.03Å; C978-Q1020 PolarHBondContact SG-OE1 2.86Å; S1016-Q1020 WeakPolarHBondContact O-CB 3.48Å; S1016-Q1020 WeakPolarHBondContact O-CG 3.49Å; S1016-Q1020 PolarHBondContact O-N 2.97Å
1021C76.9Confident80.7Confident30 Ų3034.5 Ų34.520%0.20318%0.183CC..Hα-helixtrans-106-1.2-179.8-57.40000113.2V981 M1017V981-C1021 HydrophobicContact CG2-CB 4.03Å; M1017-C1021 WeakPolarHBondContact O-CA 3.39Å; M1017-C1021 VanDerWaalsContact O-CB 3.23Å; M1017-C1021 WeakPolarHBondContact O-CB 3.46Å; M1017-C1021 PolarHBondContact O-N 2.89Å
1022G79.5Confident80.9Confident25 Ų2533.6 Ų33.626%0.25818%0.178SC..  trans78.3161.7-175.300000113.4C1018 N1024 S1025C1018-G1022 CarbonylContact O-C 3.55Å; C1018-G1022 VanDerWaalsContact O-C 3.27Å; C1018-G1022 WeakPolarHBondContact O-CA 3.16Å; C1018-G1022 PolarHBondContact O-N 3.18Å; G1022-N1024 PolarHBondContact O-N 2.76Å; G1022-S1025 WeakPolarHBondContact O-CB 3.11Å; G1022-S1025 PolarHBondContact O-N 3.11Å; G1022-S1025 PolarHBondContact O-OG 3.42Å
1023P81.4Confident81.5Confident62 Ų6230.7 Ų30.740%0.40316%0.164SC..THydrogen-bonded Turntrans-62.2-27.6-177.124.6-34.6000113.1S1025 L1026 I1027P1023-S1025 PolarHBondContact O-N 3.27Å; P1023-S1025 VanDerWaalsContact O-N 3.08Å; P1023-L1026 PolarHBondContact O-N 3.23Å; P1023-I1027 HydrophobicContact CB-CD1 4.42Å; P1023-I1027 WeakPolarHBondContact O-CG1 3.01Å; P1023-I1027 PolarHBondContact O-N 2.75Å; P1023-I1027 VanDerWaalsContact O-N 3.12Å
1024N75.9Confident81.7Confident125 Ų12531 Ų3167%0.66817%0.167SC*.Hα-helixtrans-56.2-25.2174-64.8-10.2000113G1022 L1026G1022-N1024 PolarHBondContact O-N 2.76Å; N1024-L1026 PolarHBondContact O-N 3.01Å
1025S79.8Confident81.6Confident5 Ų534.8 Ų34.84%0.03518%0.183CC..Hα-helixtrans-67-22.3175.2700000113.6R985 M1017 G1022 P1023R985-S1025 PolarHBondContact NE-O 3.49Å; R985-S1025 PolarHBondContact NH2-O 3.29Å; M1017-S1025 PolarHBondContact O-OG 3.35Å; G1022-S1025 WeakPolarHBondContact O-CB 3.11Å; G1022-S1025 PolarHBondContact O-N 3.11Å; G1022-S1025 PolarHBondContact O-OG 3.42Å; P1023-S1025 PolarHBondContact O-N 3.27Å; P1023-S1025 VanDerWaalsContact O-N 3.08Å
1026L83.1Confident81.9Confident3 Ų332 Ų322%0.01617%0.173CC..Hα-helixtrans-108.5-23.6-178.6-59-176.9000114.4I1014 M1017 C1018 P1023 N1024 L1029 I1045 L1048I1014-L1026 HydrophobicContact CG2-CD1 3.66Å; I1014-L1026 HydrophobicContact CG2-CD2 4.05Å; M1017-L1026 HydrophobicContact CB-CD2 4.34Å; C1018-L1026 HydrophobicContact CB-CD1 3.67Å; C1018-L1026 HydrophobicContact CB-CG 4.5Å; P1023-L1026 PolarHBondContact O-N 3.23Å; N1024-L1026 PolarHBondContact O-N 3.01Å; L1026-L1029 WeakPolarHBondContact O-CG 3.31Å; L1026-I1045 HydrophobicContact CB-CG2 4.32Å; L1026-L1048 HydrophobicContact CD1-CD1 4.18Å
1027I78.5Confident82.3Confident47 Ų4732.7 Ų32.724%0.24118%0.176CC..Hα-helixtrans-63.5-43.6179.5-70.5168.4000111.2P1023 T1049 P1077 T1079P1023-I1027 HydrophobicContact CB-CD1 4.42Å; P1023-I1027 WeakPolarHBondContact O-CG1 3.01Å; P1023-I1027 PolarHBondContact O-N 2.75Å; P1023-I1027 VanDerWaalsContact O-N 3.12Å; I1027-T1049 HydrophobicContact CG1-CG2 3.81Å; I1027-P1077 WeakPolarHBondContact CG2-O 3.27Å; I1027-T1079 HydrophobicContact CG2-CG2 4.35Å
1028D77.7Confident82.4Confident18 Ų1833.4 Ų33.410%0.09618%0.181CC..THydrogen-bonded Turntrans-115.767.6-174.8-175.919.8000111R985 K1081 T1201 R1202R985-D1028 PolarHBondContact NH1-O 3.38Å; R985-D1028 PolarHBondContact NH2-O 3.33Å; D1028-K1081 WeakPolarHBondContact OD2-CE 3.39Å; D1028-K1081 IonicContact OD2-NZ 3.09Å; D1028-K1081 PolarHBondContact OD2-NZ 3.37Å; D1028-K1081 VanDerWaalsContact OD2-NZ 3.09Å; D1028-T1201 VanDerWaalsContact CG-OG1 3.26Å; D1028-T1201 PolarHBondContact OD1-OG1 3.44Å; D1028-T1201 WeakPolarHBondContact OD2-CB 3.05Å; D1028-T1201 PolarHBondContact OD2-OG1 3.27Å; D1028-R1202 WeakPolarHBondContact OD1-CB 3.4Å; D1028-R1202 PolarHBondContact OD1-N 2.85Å
1029L86.1Confident82.2Confident4 Ų436.8 Ų36.82%0.02120%0.198CC..  trans-81.6133177.1-74.5171.3000111.4R985 L1026 I1033 T1034 L1037 I1045 R1202R985-L1029 HydrophobicContact CG-CD2 4.42Å; L1026-L1029 WeakPolarHBondContact O-CG 3.31Å; L1029-I1033 HydrophobicContact CB-CG2 4.39Å; L1029-I1033 HydrophobicContact CD1-CG2 4.18Å; L1029-I1033 HydrophobicContact CD2-CD1 4.44Å; L1029-I1033 HydrophobicContact CD2-CG2 4.27Å; L1029-T1034 PolarHBondContact O-OG1 3.38Å; L1029-L1037 HydrophobicContact CD1-CD1 4.05Å; L1029-I1045 HydrophobicContact CD1-CD1 4.16Å; L1029-R1202 WeakPolarHBondContact O-CB 3.26Å
1030P86Confident82.4Confident2 Ų232.4 Ų32.41%0.01318%0.177CC..  trans-48.5150.1175.2-28.433.2000113.5L1032 I1033 T1034 M1199P1030-L1032 PolarHBondContact O-N 3.16Å; P1030-I1033 PolarHBondContact O-N 3.43Å; P1030-T1034 PolarHBondContact O-N 3.48Å; P1030-T1034 PolarHBondContact O-OG1 3.08Å; P1030-M1199 VanDerWaalsContact CG-C 3.42Å; P1030-M1199 WeakPolarHBondContact CG-O 3.42Å
1031Q84.1Confident82.8Confident49 Ų4929 Ų2923%0.22916%0.161CC..Hα-helixtrans-59.8-33.1-179.2-169.2-179.41400112.6I1033 T1034 K1035 R1202Q1031-I1033 PolarHBondContact O-N 3.33Å; Q1031-T1034 PolarHBondContact O-N 2.99Å; Q1031-K1035 HydrophobicContact CG-CD 4.19Å; Q1031-K1035 HydrophobicContact CG-CG 4.32Å; Q1031-K1035 PolarHBondContact O-N 3.31Å; Q1031-K1035 VanDerWaalsContact O-N 3.11Å; Q1031-R1202 HydrophobicContact CB-CG 4.49Å
1032L85.7Confident83.2Confident6 Ų628.4 Ų28.43%0.03116%0.156CC..Hα-helixtrans-55.9-34.7172.8-72.5164.9000113.2Y989 P1030 R1036 M1199 V1321 M1324 Q1325 M1328Y989-L1032 HydrophobicContact CD2-CB 4.18Å; Y989-L1032 HydrophobicContact CE2-CB 4.15Å; Y989-L1032 HydrophobicContact CE2-CD2 4.44Å; P1030-L1032 PolarHBondContact O-N 3.16Å; L1032-R1036 PolarHBondContact O-NH1 3.18Å; L1032-M1199 HydrophobicContact CD1-CE 3.63Å; L1032-V1321 HydrophobicContact CD1-CG1 3.63Å; L1032-M1324 HydrophobicContact CD2-CB 4.42Å; L1032-Q1325 HydrophobicContact CD2-CB 4.26Å; L1032-M1328 HydrophobicContact CD2-SD 3.82Å
1033I89.7Confident83.3Confident0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-87.7-49.9176.5-64178.8000109.7R985 L988 Y989 L992 L1029 P1030 Q1031 K1035 R1036 L1037R985-I1033 HydrophobicContact CB-CD1 3.89Å; R985-I1033 HydrophobicContact CG-CD1 4.28Å; R985-I1033 WeakPolarHBondContact O-CD1 3.41Å; L988-I1033 HydrophobicContact CD2-CG2 4.24Å; Y989-I1033 HydrophobicContact CD2-CG1 4.48Å; L992-I1033 HydrophobicContact CD1-CG2 3.83Å; L1029-I1033 HydrophobicContact CB-CG2 4.39Å; L1029-I1033 HydrophobicContact CD1-CG2 4.18Å; L1029-I1033 HydrophobicContact CD2-CD1 4.44Å; L1029-I1033 HydrophobicContact CD2-CG2 4.27Å; P1030-I1033 PolarHBondContact O-N 3.43Å; Q1031-I1033 PolarHBondContact O-N 3.33Å; I1033-K1035 VanDerWaalsContact C-N 3.32Å; I1033-K1035 PolarHBondContact O-N 2.85Å; I1033-R1036 CarbonylContact O-C 3Å; I1033-R1036 WeakPolarHBondContact O-CA 3.19Å; I1033-R1036 PolarHBondContact O-N 2.99Å; I1033-L1037 HydrophobicContact CG2-CD2 4.27Å; I1033-L1037 HydrophobicContact CG2-CG 4.47Å; I1033-L1037 PolarHBondContact O-N 2.93Å
1034T85.7Confident83.4Confident18 Ų1829.3 Ų29.311%0.1115%0.152CC..Hα-helixtrans-57.6-40.9-172.2-60.60000113.1L1029 P1030 Q1031 R1036 L1037 L1076L1029-T1034 PolarHBondContact O-OG1 3.38Å; P1030-T1034 PolarHBondContact O-N 3.48Å; P1030-T1034 PolarHBondContact O-OG1 3.08Å; Q1031-T1034 PolarHBondContact O-N 2.99Å; T1034-R1036 PolarHBondContact O-N 3.31Å; T1034-L1037 PolarHBondContact O-N 3.31Å; T1034-L1076 HydrophobicContact CG2-CD1 4.03Å
1035K82.5Confident83.8Confident78 Ų7823.4 Ų23.434%0.33912%0.12SC..THydrogen-bonded Turntrans-70.3-11.1176.7-82.5-174162.5-173.60114.4Q1031 I1033 M1328 F1367Q1031-K1035 HydrophobicContact CG-CD 4.19Å; Q1031-K1035 HydrophobicContact CG-CG 4.32Å; Q1031-K1035 PolarHBondContact O-N 3.31Å; Q1031-K1035 VanDerWaalsContact O-N 3.11Å; I1033-K1035 VanDerWaalsContact C-N 3.32Å; I1033-K1035 PolarHBondContact O-N 2.85Å; K1035-M1328 HydrophobicContact CB-CE 3.69Å; K1035-M1328 HydrophobicContact CD-CE 3.53Å; K1035-M1328 HydrophobicContact CG-CE 4.23Å; K1035-F1367 WeakPolarHBondContact O-CE1 3.3Å
1036R87.2Confident83.8Confident2 Ų228 Ų281%0.00814%0.137CC..THydrogen-bonded Turntrans-11418.1-180-60-173.1174.667.95112.9L992 H996 L1032 I1033 T1034 P1038 M1324 M1328 D1363 F1367L992-R1036 HydrophobicContact CB-CB 4.32Å; H996-R1036 PolarHBondContact NE2-O 3.47Å; L1032-R1036 PolarHBondContact O-NH1 3.18Å; I1033-R1036 CarbonylContact O-C 3Å; I1033-R1036 WeakPolarHBondContact O-CA 3.19Å; I1033-R1036 PolarHBondContact O-N 2.99Å; T1034-R1036 PolarHBondContact O-N 3.31Å; R1036-P1038 WeakPolarHBondContact O-CD 3.5Å; R1036-M1324 PolarHBondContact NH2-SD 3.01Å; R1036-M1328 PolarHBondContact NH1-SD 3.16Å; R1036-M1328 PolarHBondContact NH2-SD 3.47Å; R1036-D1363 IonicContact CZ-OD1 2.69Å; R1036-D1363 IonicContact CZ-OD2 3.46Å; R1036-D1363 VanDerWaalsContact CZ-OD2 3.26Å; R1036-D1363 IonicContact NE-OD1 3.9Å; R1036-D1363 PolarHBondContact NE-OD1 3.16Å; R1036-D1363 IonicContact NE-OD2 2.76Å; R1036-D1363 PolarHBondContact NE-OD2 2.89Å; R1036-D1363 VanDerWaalsContact NE-OD2 3.07Å; R1036-D1363 IonicContact NH2-OD1 2.66Å; R1036-D1363 IonicContact NH2-OD2 3.15Å; R1036-D1363 PolarHBondContact NH2-OD2 3.46Å; R1036-F1367 HydrophobicContact CB-CZ 4.12Å; R1036-F1367 HydrophobicContact CG-CD2 4.38Å; R1036-F1367 HydrophobicContact CG-CE1 4.42Å; R1036-F1367 HydrophobicContact CG-CE2 3.73Å; R1036-F1367 HydrophobicContact CG-CZ 3.75Å
1037L86.4Confident83.7Confident13 Ų1333.5 Ų33.57%0.06816%0.162CC..  trans-86.4117.5174.1-71.1172.4000109.2L992 I1014 L1029 I1033 T1034 L1041 I1042 I1045 L1076L992-L1037 HydrophobicContact CD1-CD2 4.17Å; I1014-L1037 HydrophobicContact CD1-CD2 4.25Å; L1029-L1037 HydrophobicContact CD1-CD1 4.05Å; I1033-L1037 HydrophobicContact CG2-CD2 4.27Å; I1033-L1037 HydrophobicContact CG2-CG 4.47Å; I1033-L1037 PolarHBondContact O-N 2.93Å; T1034-L1037 PolarHBondContact O-N 3.31Å; L1037-L1041 HydrophobicContact CD2-CB 4.24Å; L1037-L1041 HydrophobicContact CD2-CD1 4.26Å; L1037-I1042 HydrophobicContact CB-CD1 4.45Å; L1037-I1042 HydrophobicContact CB-CG1 3.89Å; L1037-I1045 HydrophobicContact CD1-CD1 3.65Å; L1037-I1045 HydrophobicContact CD2-CD1 4.02Å; L1037-I1045 HydrophobicContact CG-CD1 4.46Å; L1037-L1076 HydrophobicContact CD1-CD1 4.36Å
1038P84.3Confident83.8Confident16 Ų1633.9 Ų33.910%0.10417%0.165CC..  trans-68.9154.9171.6-17.132.4000111.1Y995 R1036 F1040 L1041 I1042Y995-P1038 HydrophobicContact CD1-CG 4.21Å; Y995-P1038 HydrophobicContact CE1-CB 4.44Å; Y995-P1038 HydrophobicContact CE1-CG 3.55Å; R1036-P1038 WeakPolarHBondContact O-CD 3.5Å; P1038-F1040 HydrophobicContact CB-CD1 3.71Å; P1038-F1040 HydrophobicContact CB-CE1 3.5Å; P1038-F1040 VanDerWaalsContact CB-CE1 3.5Å; P1038-F1040 HydrophobicContact CB-CZ 4.45Å; P1038-F1040 HydrophobicContact CG-CE1 3.84Å; P1038-F1040 HydrophobicContact CG-CZ 4.43Å; P1038-F1040 PolarHBondContact O-N 3.03Å; P1038-L1041 WeakPolarHBondContact O-CA 3.33Å; P1038-L1041 PolarHBondContact O-N 3Å; P1038-I1042 PolarHBondContact O-N 3.31Å; P1038-I1042 VanDerWaalsContact O-N 3.15Å
1039D80.2Confident83.7Confident85 Ų8534.4 Ų34.446%0.45517%0.169SC..Hα-helixtrans-50.8-37.4-173.6-58.8-27.7000114.2L1041 I1042 L1043D1039-L1041 VanDerWaalsContact C-N 3.34Å; D1039-L1041 PolarHBondContact O-N 3.49Å; D1039-I1042 WeakPolarHBondContact O-CB 3.43Å; D1039-I1042 PolarHBondContact O-N 2.95Å; D1039-L1043 WeakPolarHBondContact O-CG 3.42Å; D1039-L1043 PolarHBondContact O-N 2.68Å
1040F83.6Confident82.8Confident21 Ų2138.3 Ų38.39%0.09219%0.19CC..Hα-helixtrans-66.5-33.3178.575.8-89000112.8R1007 V1011 P1038 V1044R1007-F1040 HydrophobicContact CB-CZ 4.5Å; R1007-F1040 HydrophobicContact CG-CD2 4.07Å; R1007-F1040 HydrophobicContact CG-CE1 3.98Å; R1007-F1040 HydrophobicContact CG-CE2 3.47Å; R1007-F1040 VanDerWaalsContact CG-CE2 3.47Å; R1007-F1040 HydrophobicContact CG-CZ 3.44Å; R1007-F1040 VanDerWaalsContact CG-CZ 3.44Å; R1007-F1040 VanDerWaalsContact NH2-CD1 3.3Å; V1011-F1040 HydrophobicContact CG2-CD2 3.88Å; V1011-F1040 HydrophobicContact CG2-CE2 3.75Å; P1038-F1040 HydrophobicContact CB-CD1 3.71Å; P1038-F1040 HydrophobicContact CB-CE1 3.5Å; P1038-F1040 VanDerWaalsContact CB-CE1 3.5Å; P1038-F1040 HydrophobicContact CB-CZ 4.45Å; P1038-F1040 HydrophobicContact CG-CE1 3.84Å; P1038-F1040 HydrophobicContact CG-CZ 4.43Å; P1038-F1040 PolarHBondContact O-N 3.03Å; F1040-V1044 VanDerWaalsContact O-CG2 3.3Å; F1040-V1044 WeakPolarHBondContact O-CG2 3.04Å; F1040-V1044 PolarHBondContact O-N 2.94Å; F1040-V1044 VanDerWaalsContact O-N 3.07Å
1041L85.2Confident81.4Confident0 Ų043.7 Ų43.70%023%0.225CC..Hα-helixtrans-74.8-35172.8-65.1-174.3000111.1L992 L1010 V1011 I1014 L1037 P1038 D1039 L1043 V1044 I1045L992-L1041 HydrophobicContact CD2-CD1 4.01Å; L1010-L1041 HydrophobicContact CB-CD1 4.15Å; L1010-L1041 HydrophobicContact CB-CD2 4.32Å; V1011-L1041 HydrophobicContact CG2-CD2 3.85Å; I1014-L1041 HydrophobicContact CD1-CB 4.23Å; I1014-L1041 HydrophobicContact CD1-CD1 3.85Å; I1014-L1041 HydrophobicContact CD1-CD2 4.13Å; I1014-L1041 HydrophobicContact CD1-CG 4.29Å; L1037-L1041 HydrophobicContact CD2-CB 4.24Å; L1037-L1041 HydrophobicContact CD2-CD1 4.26Å; P1038-L1041 WeakPolarHBondContact O-CA 3.33Å; P1038-L1041 PolarHBondContact O-N 3Å; D1039-L1041 VanDerWaalsContact C-N 3.34Å; D1039-L1041 PolarHBondContact O-N 3.49Å; L1041-L1043 VanDerWaalsContact C-N 3.32Å; L1041-L1043 PolarHBondContact O-N 3.48Å; L1041-V1044 PolarHBondContact O-N 3.45Å; L1041-I1045 WeakPolarHBondContact O-CB 3.31Å; L1041-I1045 WeakPolarHBondContact O-CD1 3.33Å; L1041-I1045 WeakPolarHBondContact O-CG1 3.46Å; L1041-I1045 PolarHBondContact O-N 2.89Å
1042I83.8Confident79.9Confident18 Ų1848.2 Ų48.29%0.09225%0.251CS..Hα-helixtrans-59.8-45.5172.7-60.2176000110L1037 P1038 D1039 I1045 R1046L1037-I1042 HydrophobicContact CB-CD1 4.45Å; L1037-I1042 HydrophobicContact CB-CG1 3.89Å; P1038-I1042 PolarHBondContact O-N 3.31Å; P1038-I1042 VanDerWaalsContact O-N 3.15Å; D1039-I1042 WeakPolarHBondContact O-CB 3.43Å; D1039-I1042 PolarHBondContact O-N 2.95Å; I1042-I1045 PolarHBondContact O-N 3.46Å; I1042-R1046 HydrophobicContact CG2-CG 4.46Å; I1042-R1046 WeakPolarHBondContact O-CB 3.2Å; I1042-R1046 VanDerWaalsContact O-CG 3.25Å; I1042-R1046 WeakPolarHBondContact O-CG 3.49Å; I1042-R1046 PolarHBondContact O-N 3.41Å
1043L81.9Confident77.9Confident81 Ų8152.5 Ų52.542%0.42428%0.277SS..Hα-helixtrans-60.9-45.8174.9-70.2172.9000112.3D1039 L1041 R1046 Q1047D1039-L1043 WeakPolarHBondContact O-CG 3.42Å; D1039-L1043 PolarHBondContact O-N 2.68Å; L1041-L1043 VanDerWaalsContact C-N 3.32Å; L1041-L1043 PolarHBondContact O-N 3.48Å; L1043-R1046 PolarHBondContact O-N 3.43Å; L1043-Q1047 WeakPolarHBondContact O-CG 3.4Å; L1043-Q1047 PolarHBondContact O-N 3.45Å
1044V84.2Confident75.4Confident25 Ų2556 Ų5615%0.15231%0.313CS..Hα-helixtrans-61.8-44.3176.61670000111.7V1011 I1014 F1040 L1041 R1046 Q1047 L1048V1011-V1044 HydrophobicContact CG1-CG1 4.44Å; V1011-V1044 HydrophobicContact CG1-CG2 4.3Å; V1011-V1044 HydrophobicContact CG2-CG2 4.44Å; I1014-V1044 HydrophobicContact CG2-CG1 4.39Å; F1040-V1044 VanDerWaalsContact O-CG2 3.3Å; F1040-V1044 WeakPolarHBondContact O-CG2 3.04Å; F1040-V1044 PolarHBondContact O-N 2.94Å; F1040-V1044 VanDerWaalsContact O-N 3.07Å; L1041-V1044 PolarHBondContact O-N 3.45Å; V1044-R1046 PolarHBondContact O-N 2.98Å; V1044-Q1047 PolarHBondContact O-N 2.93Å; V1044-L1048 HydrophobicContact CG1-CD1 3.7Å; V1044-L1048 HydrophobicContact CG1-CG 4.32Å; V1044-L1048 WeakPolarHBondContact O-CB 3.3Å; V1044-L1048 VanDerWaalsContact O-CG 3.27Å; V1044-L1048 WeakPolarHBondContact O-CG 3.26Å; V1044-L1048 PolarHBondContact O-N 3.04Å
1045I84.3Confident73Confident0 Ų064.7 Ų64.70%035%0.352CS..Hα-helixtrans-63.7-42.7177.4-66.7160.6000110.5I1014 L1026 L1029 L1037 L1041 I1042 Q1047 L1048 T1049 L1076I1014-I1045 HydrophobicContact CD1-CD1 4.11Å; I1014-I1045 HydrophobicContact CD1-CG1 4.35Å; I1014-I1045 HydrophobicContact CG2-CG1 3.83Å; L1026-I1045 HydrophobicContact CB-CG2 4.32Å; L1029-I1045 HydrophobicContact CD1-CD1 4.16Å; L1037-I1045 HydrophobicContact CD1-CD1 3.65Å; L1037-I1045 HydrophobicContact CD2-CD1 4.02Å; L1037-I1045 HydrophobicContact CG-CD1 4.46Å; L1041-I1045 WeakPolarHBondContact O-CB 3.31Å; L1041-I1045 WeakPolarHBondContact O-CD1 3.33Å; L1041-I1045 WeakPolarHBondContact O-CG1 3.46Å; L1041-I1045 PolarHBondContact O-N 2.89Å; I1042-I1045 PolarHBondContact O-N 3.46Å; I1045-Q1047 VanDerWaalsContact C-N 3.31Å; I1045-Q1047 PolarHBondContact O-N 3.14Å; I1045-L1048 PolarHBondContact O-N 3.21Å; I1045-T1049 HydrophobicContact CG2-CG2 4.21Å; I1045-T1049 WeakPolarHBondContact O-CB 3.23Å; I1045-T1049 WeakPolarHBondContact O-CG2 3.34Å; I1045-T1049 PolarHBondContact O-N 3.25Å; I1045-T1049 PolarHBondContact O-OG1 3.33Å; I1045-L1076 HydrophobicContact CB-CD2 4.24Å; I1045-L1076 HydrophobicContact CG2-CD2 3.64Å
1046R79.5Confident70.5Confident101 Ų10168.1 Ų68.138%0.38137%0.374SS..Hα-helixtrans-64.3-34.5177.2-70175.687.3-166.51112.2I1042 L1043 V1044 N1050 T1075 L1076I1042-R1046 HydrophobicContact CG2-CG 4.46Å; I1042-R1046 WeakPolarHBondContact O-CB 3.2Å; I1042-R1046 VanDerWaalsContact O-CG 3.25Å; I1042-R1046 WeakPolarHBondContact O-CG 3.49Å; I1042-R1046 PolarHBondContact O-N 3.41Å; L1043-R1046 PolarHBondContact O-N 3.43Å; V1044-R1046 PolarHBondContact O-N 2.98Å; R1046-N1050 VanDerWaalsContact O-CB 3.27Å; R1046-N1050 WeakPolarHBondContact O-CB 3.31Å; R1046-N1050 PolarHBondContact O-N 2.64Å; R1046-T1075 PolarHBondContact NE-O 3.31Å; R1046-L1076 HydrophobicContact CG-CD2 4.27Å
1047Q80.2Confident68Low119 Ų11975.1 Ų75.156%0.55641%0.411SS*.Hα-helixtrans-69.3-42.5172.1-72.8172.5-8.100112.2L1043 V1044 I1045 T1049L1043-Q1047 WeakPolarHBondContact O-CG 3.4Å; L1043-Q1047 PolarHBondContact O-N 3.45Å; V1044-Q1047 PolarHBondContact O-N 2.93Å; I1045-Q1047 VanDerWaalsContact C-N 3.31Å; I1045-Q1047 PolarHBondContact O-N 3.14Å; Q1047-T1049 VanDerWaalsContact C-N 3.3Å; Q1047-T1049 PolarHBondContact O-N 2.81Å
1048L81.1Confident65.6Low56 Ų5681.7 Ų81.729%0.29345%0.445SS..Hα-helixtrans-72.5-17.5-179.9-70.4171.3000114.2I1014 R1015 C1018 L1026 V1044 I1045I1014-L1048 HydrophobicContact CG2-CD1 4.1Å; R1015-L1048 HydrophobicContact CB-CD1 4.47Å; R1015-L1048 HydrophobicContact CG-CD2 4.39Å; C1018-L1048 HydrophobicContact CB-CD1 4.21Å; L1026-L1048 HydrophobicContact CD1-CD1 4.18Å; V1044-L1048 HydrophobicContact CG1-CD1 3.7Å; V1044-L1048 HydrophobicContact CG1-CG 4.32Å; V1044-L1048 WeakPolarHBondContact O-CB 3.3Å; V1044-L1048 VanDerWaalsContact O-CG 3.27Å; V1044-L1048 WeakPolarHBondContact O-CG 3.26Å; V1044-L1048 PolarHBondContact O-N 3.04Å; I1045-L1048 PolarHBondContact O-N 3.21Å
1049T74.9Confident63.2Low29 Ų2984.6 Ų84.618%0.17848%0.478CS..Hα-helixtrans-107.9-9.3-176.252.80000114.6I1027 I1045 Q1047I1027-T1049 HydrophobicContact CG1-CG2 3.81Å; I1045-T1049 HydrophobicContact CG2-CG2 4.21Å; I1045-T1049 WeakPolarHBondContact O-CB 3.23Å; I1045-T1049 WeakPolarHBondContact O-CG2 3.34Å; I1045-T1049 PolarHBondContact O-N 3.25Å; I1045-T1049 PolarHBondContact O-OG1 3.33Å; Q1047-T1049 VanDerWaalsContact C-N 3.3Å; Q1047-T1049 PolarHBondContact O-N 2.81Å
1050N68Low60.9Low85 Ų8585.1 Ų85.146%0.45549%0.488SS..  trans-98.1116.7-177.8-170.9-3.2000111.7R1046 N1052R1046-N1050 VanDerWaalsContact O-CB 3.27Å; R1046-N1050 WeakPolarHBondContact O-CB 3.31Å; R1046-N1050 PolarHBondContact O-N 2.64Å; N1050-N1052 PolarHBondContact O-N 3.09Å; N1050-N1052 VanDerWaalsContact O-N 3.15Å
1051P56.4Low58.5Low116 Ų11690.6 Ų90.675%0.75352%0.517SS*.THydrogen-bonded Turntrans-72.9-3.7-172.328.2-36000116
1052N52.3Low56Low144 Ų14496 Ų9677%0.7755%0.552SS**THydrogen-bonded Turntrans-114.213.4-161.5-71.8-14000116.7N1050N1050-N1052 PolarHBondContact O-N 3.09Å; N1050-N1052 VanDerWaalsContact O-N 3.15Å
1053T45.3Very low53.4Low96 Ų96101.1 Ų101.159%0.58959%0.59SS**  trans-120.3110.5179.550.10000112.8
1054G36.8Very low51Low73 Ų73101.4 Ų101.475%0.75360%0.599SS**  trans-81.3144.6172.500000113.2
1055E34.3Very low48.4Very low200 Ų200107.2 Ų107.294%0.93563%0.629SS**  trans33.7105.5165.4-62.3-172.8168.300118.7
1056L31.1Very low46.1Very low151 Ų151111 Ų11179%0.79165%0.653SS**  trans-130.9130.6167.3-94.4165.3000112.4I1058L1056-I1058 PolarHBondContact O-N 3.3Å
1057N33.7Very low43.7Very low149 Ų149113.9 Ų113.980%0.79767%0.673SS**  trans-68.7124.1176.2-94.7-52.4000111.5G1059N1057-G1059 PolarHBondContact O-N 3.47Å
1058I36.8Very low41.2Very low151 Ų151112.4 Ų112.477%0.77467%0.669SS**THydrogen-bonded Turntrans-71.64-178.7-59174.9000112.6L1056L1056-I1058 PolarHBondContact O-N 3.3Å
1059G34.7Very low39.3Very low77 Ų77114.4 Ų114.479%0.79468%0.684SS**THydrogen-bonded Turntrans-86.5-6.3-174.700000116.9N1057N1057-G1059 PolarHBondContact O-N 3.47Å
1060S31.6Very low37.5Very low95 Ų95122.1 Ų122.166%0.66472%0.717SS**  trans-146.979.3-174.461.10000113.2
1061L33.4Very low36Very low137 Ų137121.1 Ų121.172%0.71772%0.717SS**  trans-78.3124.7158.3-107.477.1000108.6S1063L1061-S1063 PolarHBondContact O-N 2.99Å
1062P32Very low35.1Very low112 Ų112117.6 Ų117.673%0.72769%0.691SS**  trans-70.8128.3175.128.4-32.7000110.7S1064P1062-S1064 PolarHBondContact O-N 3.13Å
1063S29.8Very low34.8Very low126 Ų126116.9 Ų116.988%0.88168%0.683SS**  trans-88.184.8172.555.80000110.3L1061L1061-S1063 PolarHBondContact O-N 2.99Å
1064S30.8Very low34.8Very low88 Ų88117.1 Ų117.162%0.61569%0.689SS**  trans-160.2127174.354.10000112.9P1062P1062-S1064 PolarHBondContact O-N 3.13Å
1065D29.7Very low35.4Very low147 Ų147115.2 Ų115.279%0.78666%0.663SS**  trans61.5112.8159.1-53.7-22.9000120.1
1066P35Very low36.6Very low79 Ų79107.2 Ų107.251%0.51363%0.626SS.*  trans-79.5122.5172.132.3-33.3000112H1384P1066-H1384 WeakPolarHBondContact CG-CE1 3.17Å
1067M29.2Very low37.6Very low161 Ų161102.8 Ų102.879%0.79361%0.607SS**  trans-88.3148.3169.5-78-92.5-16000111V1069M1067-V1069 PolarHBondContact O-N 2.87Å
1068N29.3Very low38.5Very low89 Ų8999.2 Ų99.248%0.47658%0.582SS.*  trans-32.4109.4-175.3-95.1-19.6000117.1E1070 S1071 L1385N1068-E1070 VanDerWaalsContact C-N 3.33Å; N1068-E1070 PolarHBondContact O-N 2.79Å; N1068-S1071 PolarHBondContact O-N 3.41Å; N1068-S1071 PolarHBondContact O-OG 2.86Å; N1068-L1385 HydrophobicContact CB-CD1 4.41Å; N1068-L1385 WeakPolarHBondContact ND2-CD1 3.45Å; N1068-L1385 WeakPolarHBondContact OD1-CD1 3.49Å
1069V41.2Very low39.5Very low98 Ų9895.5 Ų95.559%0.59457%0.567SS**G310 helixtrans-59.2-36.2179.8177.90000113.1M1067 S1071 M1072M1067-V1069 PolarHBondContact O-N 2.87Å; V1069-S1071 PolarHBondContact O-N 3.43Å; V1069-S1071 VanDerWaalsContact O-N 3.11Å; V1069-M1072 WeakPolarHBondContact O-CB 3.42Å; V1069-M1072 PolarHBondContact O-N 3.43Å
1070E37.3Very low40.5Very low190 Ų19096.2 Ų96.289%0.88855%0.552SS**G310 helixtrans-63.5-18.9-179.8-65.2-170.6149.400113.7N1068N1068-E1070 VanDerWaalsContact C-N 3.33Å; N1068-E1070 PolarHBondContact O-N 2.79Å
1071S36.2Very low41.9Very low65 Ų6593.3 Ų93.346%0.45553%0.528SS..G310 helixtrans-79.2-20.8173.771.70000113.4N1068 V1069 S1074N1068-S1071 PolarHBondContact O-N 3.41Å; N1068-S1071 PolarHBondContact O-OG 2.86Å; V1069-S1071 PolarHBondContact O-N 3.43Å; V1069-S1071 VanDerWaalsContact O-N 3.11Å; S1071-S1074 PolarHBondContact O-N 3.4Å; S1071-S1074 PolarHBondContact O-OG 2.7Å
1072M37Very low43.2Very low42 Ų4288.7 Ų88.721%0.20751%0.507CS..G310 helixtrans-77.4-25.3-166.3-64.9-173.878.900114.3V1069 S1074 T1075V1069-M1072 WeakPolarHBondContact O-CB 3.42Å; V1069-M1072 PolarHBondContact O-N 3.43Å; M1072-S1074 PolarHBondContact O-N 2.93Å; M1072-S1074 VanDerWaalsContact O-N 3.09Å; M1072-T1075 WeakPolarHBondContact O-CB 3.36Å; M1072-T1075 PolarHBondContact O-N 3.22Å; M1072-T1075 PolarHBondContact O-OG1 3.31Å
1073E44.7Very low44.4Very low128 Ų12889.3 Ų89.360%0.59850%0.503SS*.G310 helixtrans-58-24.6174.3-76.7-15613900112.7T1075E1073-T1075 VanDerWaalsContact C-N 3.32Å; E1073-T1075 PolarHBondContact O-N 2.95Å
1074S46.2Very low46.3Very low101 Ų10186.3 Ų86.371%0.70648%0.482SS*.G310 helixtrans-79.9-4.1178.174.50000114.9S1071 M1072S1071-S1074 PolarHBondContact O-N 3.4Å; S1071-S1074 PolarHBondContact O-OG 2.7Å; M1072-S1074 PolarHBondContact O-N 2.93Å; M1072-S1074 VanDerWaalsContact O-N 3.09Å
1075T50.3Low48.4Very low34 Ų3482.2 Ų82.221%0.20945%0.453CS..  trans-107.2-6-159.770.60000116.8R1046 M1072 E1073R1046-T1075 PolarHBondContact NE-O 3.31Å; M1072-T1075 WeakPolarHBondContact O-CB 3.36Å; M1072-T1075 PolarHBondContact O-N 3.22Å; M1072-T1075 PolarHBondContact O-OG1 3.31Å; E1073-T1075 VanDerWaalsContact C-N 3.32Å; E1073-T1075 PolarHBondContact O-N 2.95Å
1076L57.6Low50.5Low31 Ų3176.5 Ų76.516%0.16243%0.425CS..SBendtrans-82.4142.6168.5-78163.9000110T1034 L1037 I1045 R1046 Y1078T1034-L1076 HydrophobicContact CG2-CD1 4.03Å; L1037-L1076 HydrophobicContact CD1-CD1 4.36Å; I1045-L1076 HydrophobicContact CB-CD2 4.24Å; I1045-L1076 HydrophobicContact CG2-CD2 3.64Å; R1046-L1076 HydrophobicContact CG-CD2 4.27Å; L1076-Y1078 PolarHBondContact O-N 2.94Å
1077P52.7Low52.6Low59 Ų5979.1 Ų79.138%0.38343%0.428SS..  trans-66.399.8178.927.5-33.8000110.5I1027I1027-P1077 WeakPolarHBondContact CG2-O 3.27Å
1078Y53.7Low55.2Low73 Ų7372 Ų7229%0.28639%0.393SS..  trans-92.4122.4176.9174.8-114.8000110.4L1076 D1080 Q1204L1076-Y1078 PolarHBondContact O-N 2.94Å; Y1078-D1080 HydrophobicContact CD1-CB 4.37Å; Y1078-D1080 VanDerWaalsContact CE1-CA 3.45Å; Y1078-D1080 HydrophobicContact CE1-CB 3.86Å; Y1078-D1080 PolarHBondContact O-N 2.92Å; Y1078-Q1204 HydrophobicContact CE2-CG 4.49Å; Y1078-Q1204 PolarHBondContact OH-NE2 2.95Å; Y1078-Q1204 PolarHBondContact OH-OE1 3.49Å
1079T57.3Low57.7Low73 Ų7368.2 Ų68.245%0.44837%0.374SS..  trans-79.1114.1164.553.30000108.6I1027 K1081I1027-T1079 HydrophobicContact CG2-CG2 4.35Å; T1079-K1081 VanDerWaalsContact C-N 3.34Å; T1079-K1081 PolarHBondContact O-N 2.91Å
1080D55.3Low59.6Low92 Ų9266.5 Ų66.549%0.49237%0.366SS..  trans-68.792177.7-165.7-12.4000111.3Y1078 S1082Y1078-D1080 HydrophobicContact CD1-CB 4.37Å; Y1078-D1080 VanDerWaalsContact CE1-CA 3.45Å; Y1078-D1080 HydrophobicContact CE1-CB 3.86Å; Y1078-D1080 PolarHBondContact O-N 2.92Å; D1080-S1082 VanDerWaalsContact CG-OG 3.27Å; D1080-S1082 PolarHBondContact O-N 3.45Å; D1080-S1082 VanDerWaalsContact OD1-CB 3.28Å; D1080-S1082 WeakPolarHBondContact OD1-CB 3.49Å; D1080-S1082 PolarHBondContact OD1-N 3.14Å; D1080-S1082 PolarHBondContact OD1-OG 3.41Å
1081K61.8Low61.9Low35 Ų3561 Ų6115%0.15234%0.341CS..Hα-helixtrans-71.3-7.9-176.5-81.4-164.9173.7-171.50113.5D1028 T1079 I1083 S1084 L1085 D1155 T1201D1028-K1081 WeakPolarHBondContact OD2-CE 3.39Å; D1028-K1081 IonicContact OD2-NZ 3.09Å; D1028-K1081 PolarHBondContact OD2-NZ 3.37Å; D1028-K1081 VanDerWaalsContact OD2-NZ 3.09Å; T1079-K1081 VanDerWaalsContact C-N 3.34Å; T1079-K1081 PolarHBondContact O-N 2.91Å; K1081-I1083 VanDerWaalsContact C-N 3.29Å; K1081-I1083 PolarHBondContact O-N 3.28Å; K1081-S1084 VanDerWaalsContact CA-OG 3.23Å; K1081-S1084 WeakPolarHBondContact CA-OG 3.41Å; K1081-S1084 PolarHBondContact O-N 3.17Å; K1081-S1084 VanDerWaalsContact O-N 3.1Å; K1081-S1084 PolarHBondContact O-OG 3.36Å; K1081-L1085 HydrophobicContact CB-CD1 3.92Å; K1081-L1085 HydrophobicContact CB-CG 4.26Å; K1081-L1085 VanDerWaalsContact O-CB 3.32Å; K1081-L1085 WeakPolarHBondContact O-CB 3.32Å; K1081-L1085 VanDerWaalsContact O-CG 3.32Å; K1081-L1085 WeakPolarHBondContact O-CG 3.39Å; K1081-L1085 PolarHBondContact O-N 3.09Å; K1081-D1155 IonicContact NZ-OD2 3.17Å; K1081-D1155 PolarHBondContact NZ-OD2 2.95Å; K1081-T1201 WeakPolarHBondContact CE-OG1 3.33Å; K1081-T1201 PolarHBondContact NZ-OG1 3.37Å
1082S59.7Low64.2Low39 Ų3958 Ų5827%0.27332%0.32SS..Hα-helixtrans-54.4-44.1-179.7590000112.6D1080 S1086D1080-S1082 VanDerWaalsContact CG-OG 3.27Å; D1080-S1082 PolarHBondContact O-N 3.45Å; D1080-S1082 VanDerWaalsContact OD1-CB 3.28Å; D1080-S1082 WeakPolarHBondContact OD1-CB 3.49Å; D1080-S1082 PolarHBondContact OD1-N 3.14Å; D1080-S1082 PolarHBondContact OD1-OG 3.41Å; S1082-S1086 PolarHBondContact O-N 3.05Å; S1082-S1086 PolarHBondContact O-OG 3.17Å
1083I58.5Low66.3Low126 Ų12659.1 Ų59.165%0.64632%0.324SS*.Hα-helixtrans-73.1-37.5176.9-56.7175.9000111.2K1081 S1086 K1087K1081-I1083 VanDerWaalsContact C-N 3.29Å; K1081-I1083 PolarHBondContact O-N 3.28Å; I1083-S1086 PolarHBondContact O-OG 2.81Å; I1083-K1087 VanDerWaalsContact O-CB 3.32Å; I1083-K1087 WeakPolarHBondContact O-CB 3.38Å; I1083-K1087 PolarHBondContact O-N 3.45Å; I1083-K1087 VanDerWaalsContact O-N 3.17Å
1084S69.1Low68.2Low63 Ų6359 Ų5944%0.44132%0.324SS..Hα-helixtrans-72.1-35.6-179.965.30000113.2K1081 L1088K1081-S1084 VanDerWaalsContact CA-OG 3.23Å; K1081-S1084 WeakPolarHBondContact CA-OG 3.41Å; K1081-S1084 PolarHBondContact O-N 3.17Å; K1081-S1084 VanDerWaalsContact O-N 3.1Å; K1081-S1084 PolarHBondContact O-OG 3.36Å; S1084-L1088 WeakPolarHBondContact O-CB 3.25Å; S1084-L1088 PolarHBondContact O-N 3.05Å
1085L75.3Confident69.9Low2 Ų257 Ų571%0.0130%0.303CS..Hα-helixtrans-70.3-46.3179.7-75.8163.3000111.3K1081 K1087 L1088 C1089 D1155 S1159 F1163 Q1207K1081-L1085 HydrophobicContact CB-CD1 3.92Å; K1081-L1085 HydrophobicContact CB-CG 4.26Å; K1081-L1085 VanDerWaalsContact O-CB 3.32Å; K1081-L1085 WeakPolarHBondContact O-CB 3.32Å; K1081-L1085 VanDerWaalsContact O-CG 3.32Å; K1081-L1085 WeakPolarHBondContact O-CG 3.39Å; K1081-L1085 PolarHBondContact O-N 3.09Å; L1085-K1087 VanDerWaalsContact C-N 3.32Å; L1085-K1087 PolarHBondContact O-N 2.94Å; L1085-L1088 VanDerWaalsContact O-CB 3.31Å; L1085-L1088 WeakPolarHBondContact O-CB 3.46Å; L1085-L1088 PolarHBondContact O-N 3.11Å; L1085-L1088 VanDerWaalsContact O-N 3.11Å; L1085-C1089 PolarHBondContact O-N 3.09Å; L1085-D1155 HydrophobicContact CD2-CB 3.63Å; L1085-D1155 WeakPolarHBondContact CD2-O 3.38Å; L1085-S1159 WeakPolarHBondContact O-CB 3.4Å; L1085-S1159 PolarHBondContact O-OG 3.28Å; L1085-F1163 HydrophobicContact CB-CE2 4.39Å; L1085-Q1207 VanDerWaalsContact CD1-NE2 3.33Å
1086S72.6Confident71.5Confident27 Ų2755.6 Ų55.619%0.18929%0.294CS..Hα-helixtrans-61.5-41.5174.548.90000111.5S1082 I1083 L1088 C1089S1082-S1086 PolarHBondContact O-N 3.05Å; S1082-S1086 PolarHBondContact O-OG 3.17Å; I1083-S1086 PolarHBondContact O-OG 2.81Å; S1086-L1088 VanDerWaalsContact C-N 3.31Å; S1086-L1088 PolarHBondContact O-N 3.26Å; S1086-C1089 PolarHBondContact O-N 3Å
1087K80.5Confident72.7Confident133 Ų13357 Ų5758%0.57830%0.304SS*.Hα-helixtrans-61.5-34.5172.3-170.8176-179.9179.10113.2I1083 L1085 C1089 S1090 M1091I1083-K1087 VanDerWaalsContact O-CB 3.32Å; I1083-K1087 WeakPolarHBondContact O-CB 3.38Å; I1083-K1087 PolarHBondContact O-N 3.45Å; I1083-K1087 VanDerWaalsContact O-N 3.17Å; L1085-K1087 VanDerWaalsContact C-N 3.32Å; L1085-K1087 PolarHBondContact O-N 2.94Å; K1087-C1089 VanDerWaalsContact C-N 3.3Å; K1087-C1089 PolarHBondContact O-N 3.2Å; K1087-S1090 PolarHBondContact O-N 3.12Å; K1087-M1091 HydrophobicContact CD-SD 4.31Å; K1087-M1091 HydrophobicContact CG-CG 4.21Å; K1087-M1091 HydrophobicContact CG-SD 4.01Å; K1087-M1091 WeakPolarHBondContact O-CG 3.33Å; K1087-M1091 PolarHBondContact O-N 2.86Å
1088L83.1Confident74.1Confident13 Ų1355.6 Ų55.67%0.06830%0.296CS..Hα-helixtrans-60.7-37.9178.2-179.760.9000112.2S1084 L1085 S1086 S1090 M1091 V1092 M1115 M1152 D1155S1084-L1088 WeakPolarHBondContact O-CB 3.25Å; S1084-L1088 PolarHBondContact O-N 3.05Å; L1085-L1088 VanDerWaalsContact O-CB 3.31Å; L1085-L1088 WeakPolarHBondContact O-CB 3.46Å; L1085-L1088 PolarHBondContact O-N 3.11Å; L1085-L1088 VanDerWaalsContact O-N 3.11Å; S1086-L1088 VanDerWaalsContact C-N 3.31Å; S1086-L1088 PolarHBondContact O-N 3.26Å; L1088-S1090 PolarHBondContact O-N 3.01Å; L1088-M1091 PolarHBondContact O-N 3.02Å; L1088-V1092 HydrophobicContact CD1-CG2 4.03Å; L1088-V1092 HydrophobicContact CG-CG2 4.4Å; L1088-V1092 WeakPolarHBondContact O-CG2 3.29Å; L1088-V1092 PolarHBondContact O-N 3.08Å; L1088-M1115 HydrophobicContact CD1-CE 3.4Å; L1088-M1152 HydrophobicContact CD1-CE 3.53Å; L1088-M1152 HydrophobicContact CD2-CE 4.2Å; L1088-D1155 HydrophobicContact CD2-CB 3.81Å
1089C82.4Confident75.5Confident9 Ų953.2 Ų53.26%0.06129%0.287CS..Hα-helixtrans-60.9-44.1174.7-74.50000112L1085 S1086 K1087 Q1093 S1159L1085-C1089 PolarHBondContact O-N 3.09Å; S1086-C1089 PolarHBondContact O-N 3Å; K1087-C1089 VanDerWaalsContact C-N 3.3Å; K1087-C1089 PolarHBondContact O-N 3.2Å; C1089-Q1093 WeakPolarHBondContact O-CB 3.31Å; C1089-Q1093 PolarHBondContact O-N 3.49Å; C1089-Q1093 VanDerWaalsContact O-N 3.09Å; C1089-S1159 PolarHBondContact SG-OG 3.43Å
1090S81.3Confident76.5Confident61 Ų6152.4 Ų52.443%0.42728%0.284SS..Hα-helixtrans-64-45.6174.7-53.20000111.9K1087 L1088 V1092 Q1093 E1094K1087-S1090 PolarHBondContact O-N 3.12Å; L1088-S1090 PolarHBondContact O-N 3.01Å; S1090-V1092 PolarHBondContact O-N 3.18Å; S1090-Q1093 CarbonylContact O-C 3.45Å; S1090-Q1093 WeakPolarHBondContact O-CB 3.29Å; S1090-Q1093 PolarHBondContact O-N 3.22Å; S1090-Q1093 VanDerWaalsContact O-N 3.13Å; S1090-E1094 WeakPolarHBondContact O-CG 3.12Å; S1090-E1094 PolarHBondContact O-N 3.4Å
1091M84Confident77.6Confident76 Ų7653.5 Ų53.537%0.37429%0.29SS..Hα-helixtrans-63.8-41.5179.8-70.1175.561.300112.9K1087 L1088 Q1093 E1094 E1095 M1115K1087-M1091 HydrophobicContact CD-SD 4.31Å; K1087-M1091 HydrophobicContact CG-CG 4.21Å; K1087-M1091 HydrophobicContact CG-SD 4.01Å; K1087-M1091 WeakPolarHBondContact O-CG 3.33Å; K1087-M1091 PolarHBondContact O-N 2.86Å; L1088-M1091 PolarHBondContact O-N 3.02Å; M1091-Q1093 VanDerWaalsContact C-N 3.29Å; M1091-Q1093 PolarHBondContact O-N 3.1Å; M1091-E1094 PolarHBondContact O-N 2.84Å; M1091-E1095 WeakPolarHBondContact O-CB 3.38Å; M1091-E1095 PolarHBondContact O-N 2.85Å; M1091-M1115 HydrophobicContact CB-CE 3.85Å; M1091-M1115 HydrophobicContact CE-CE 4.42Å
1092V84.4Confident78.2Confident0 Ų062.6 Ų62.60%032%0.324CS..Hα-helixtrans-65.5-35.5174.2174.10000110.7L1088 S1090 Y1096 M1115 C1118 Y1156L1088-V1092 HydrophobicContact CD1-CG2 4.03Å; L1088-V1092 HydrophobicContact CG-CG2 4.4Å; L1088-V1092 WeakPolarHBondContact O-CG2 3.29Å; L1088-V1092 PolarHBondContact O-N 3.08Å; S1090-V1092 PolarHBondContact O-N 3.18Å; V1092-Y1096 WeakPolarHBondContact O-CB 3.33Å; V1092-Y1096 PolarHBondContact O-N 3.41Å; V1092-M1115 HydrophobicContact CG2-CE 3.5Å; V1092-C1118 HydrophobicContact CG1-CB 4.09Å; V1092-C1118 HydrophobicContact CG2-CB 3.92Å; V1092-Y1156 HydrophobicContact CB-CD2 3.87Å; V1092-Y1156 HydrophobicContact CB-CE2 3.63Å; V1092-Y1156 HydrophobicContact CG1-CD2 4.07Å; V1092-Y1156 HydrophobicContact CG1-CE1 4.22Å; V1092-Y1156 HydrophobicContact CG1-CE2 3.6Å; V1092-Y1156 HydrophobicContact CG2-CD2 3.65Å; V1092-Y1156 HydrophobicContact CG2-CE2 3.97Å; V1092-Y1156 HydrophobicContact CG2-CG 4.16Å
1093Q82.5Confident78.8Confident66 Ų6665.3 Ų65.331%0.30834%0.335SS..Hα-helixtrans-69.5-37175.7-172.263.732.400112.3C1089 S1090 M1091 T1097C1089-Q1093 WeakPolarHBondContact O-CB 3.31Å; C1089-Q1093 PolarHBondContact O-N 3.49Å; C1089-Q1093 VanDerWaalsContact O-N 3.09Å; S1090-Q1093 CarbonylContact O-C 3.45Å; S1090-Q1093 WeakPolarHBondContact O-CB 3.29Å; S1090-Q1093 PolarHBondContact O-N 3.22Å; S1090-Q1093 VanDerWaalsContact O-N 3.13Å; M1091-Q1093 VanDerWaalsContact C-N 3.29Å; M1091-Q1093 PolarHBondContact O-N 3.1Å; Q1093-T1097 WeakPolarHBondContact O-CB 3.42Å; Q1093-T1097 VanDerWaalsContact O-CG2 3.29Å; Q1093-T1097 WeakPolarHBondContact O-CG2 3.5Å; Q1093-T1097 PolarHBondContact O-N 2.7Å; Q1093-T1097 PolarHBondContact O-OG1 2.96Å
1094E83.8Confident79.8Confident127 Ų12759.8 Ų59.859%0.59331%0.306SS*.Hα-helixtrans-65.4-49.5173.5-74.3167.2-166.200111.6S1090 M1091 Y1096 T1097 S1098S1090-E1094 WeakPolarHBondContact O-CG 3.12Å; S1090-E1094 PolarHBondContact O-N 3.4Å; M1091-E1094 PolarHBondContact O-N 2.84Å; E1094-Y1096 PolarHBondContact O-N 3.36Å; E1094-T1097 PolarHBondContact O-N 2.96Å; E1094-T1097 PolarHBondContact O-OG1 2.91Å; E1094-S1098 VanDerWaalsContact O-CB 3.27Å; E1094-S1098 WeakPolarHBondContact O-CB 3.41Å; E1094-S1098 PolarHBondContact O-N 2.62Å
1095E82.9Confident80.2Confident58 Ų5862 Ų6227%0.27131%0.31SS..Hα-helixtrans-63.6-40.1175.5-76.3-69.4162.600111.7M1091 S1098 F1099 F1104 M1115 L1119M1091-E1095 WeakPolarHBondContact O-CB 3.38Å; M1091-E1095 PolarHBondContact O-N 2.85Å; E1095-S1098 PolarHBondContact O-N 3.4Å; E1095-F1099 VanDerWaalsContact O-CB 3.3Å; E1095-F1099 WeakPolarHBondContact O-CB 3.45Å; E1095-F1099 PolarHBondContact O-N 2.81Å; E1095-F1104 VanDerWaalsContact OE2-CZ 3.29Å; E1095-F1104 WeakPolarHBondContact OE2-CZ 3.49Å; E1095-M1115 HydrophobicContact CG-SD 3.99Å; E1095-L1119 HydrophobicContact CB-CD2 3.98Å
1096Y83.8Confident80.4Confident5 Ų563.1 Ų63.12%0.0231%0.314CS..Hα-helixtrans-69.5-38.4178-177.3-104.4000113.1V1092 E1094 F1099 S1100 L1119 R1122 E1126V1092-Y1096 WeakPolarHBondContact O-CB 3.33Å; V1092-Y1096 PolarHBondContact O-N 3.41Å; E1094-Y1096 PolarHBondContact O-N 3.36Å; Y1096-F1099 HydrophobicContact CD2-CD1 4.47Å; Y1096-F1099 PolarHBondContact O-N 3.08Å; Y1096-S1100 WeakPolarHBondContact O-CB 3.42Å; Y1096-S1100 PolarHBondContact O-N 3.03Å; Y1096-L1119 HydrophobicContact CD2-CD2 4.27Å; Y1096-R1122 HydrophobicContact CD1-CG 3.62Å; Y1096-R1122 HydrophobicContact CD2-CB 3.88Å; Y1096-R1122 HydrophobicContact CD2-CG 3.44Å; Y1096-R1122 VanDerWaalsContact CD2-CG 3.44Å; Y1096-R1122 HydrophobicContact CE1-CG 3.84Å; Y1096-R1122 HydrophobicContact CE2-CB 4.12Å; Y1096-R1122 HydrophobicContact CE2-CG 3.67Å; Y1096-R1122 HydrophobicContact CG-CB 4.26Å; Y1096-R1122 HydrophobicContact CG-CG 3.4Å; Y1096-R1122 VanDerWaalsContact CG-CG 3.4Å; Y1096-E1126 WeakPolarHBondContact CE1-OE2 3.44Å; Y1096-E1126 VanDerWaalsContact CZ-OE2 3.31Å; Y1096-E1126 PolarHBondContact OH-OE2 3.34Å
1097T82.8Confident80.5Confident60 Ų6064.1 Ų64.137%0.36832%0.321SS..Hα-helixtrans-68.4-37.6173.548.50000111.1Q1093 E1094 S1100 N1101Q1093-T1097 WeakPolarHBondContact O-CB 3.42Å; Q1093-T1097 VanDerWaalsContact O-CG2 3.29Å; Q1093-T1097 WeakPolarHBondContact O-CG2 3.5Å; Q1093-T1097 PolarHBondContact O-N 2.7Å; Q1093-T1097 PolarHBondContact O-OG1 2.96Å; E1094-T1097 PolarHBondContact O-N 2.96Å; E1094-T1097 PolarHBondContact O-OG1 2.91Å; T1097-S1100 PolarHBondContact O-N 3.25Å; T1097-N1101 WeakPolarHBondContact O-CB 3.31Å; T1097-N1101 PolarHBondContact O-N 3.42Å; T1097-N1101 PolarHBondContact O-ND2 2.89Å; T1097-N1101 VanDerWaalsContact O-ND2 3.12Å
1098S81.8Confident80.3Confident29 Ų2960.6 Ų60.620%0.20331%0.308CS..Hα-helixtrans-62.2-43.6172.1-171.20000112.2E1094 E1095 R1102 N1103E1094-S1098 VanDerWaalsContact O-CB 3.27Å; E1094-S1098 WeakPolarHBondContact O-CB 3.41Å; E1094-S1098 PolarHBondContact O-N 2.62Å; E1095-S1098 PolarHBondContact O-N 3.4Å; S1098-R1102 PolarHBondContact O-N 3.46Å; S1098-N1103 WeakPolarHBondContact CA-ND2 3.32Å; S1098-N1103 VanDerWaalsContact O-CB 3.23Å; S1098-N1103 WeakPolarHBondContact O-CB 3.45Å; S1098-N1103 PolarHBondContact O-N 3.13Å; S1098-N1103 PolarHBondContact O-ND2 3.14Å; S1098-N1103 WeakPolarHBondContact OG-CB 3.41Å; S1098-N1103 PolarHBondContact OG-ND2 3.25Å
1099F82.2Confident79.9Confident23 Ų2360 Ų6010%0.10131%0.305CS..Hα-helixtrans-63.9-48174.2177.2-105.8000112.6E1095 Y1096 N1101 R1102 F1104 W1106 Y1123E1095-F1099 VanDerWaalsContact O-CB 3.3Å; E1095-F1099 WeakPolarHBondContact O-CB 3.45Å; E1095-F1099 PolarHBondContact O-N 2.81Å; Y1096-F1099 HydrophobicContact CD2-CD1 4.47Å; Y1096-F1099 PolarHBondContact O-N 3.08Å; F1099-N1101 VanDerWaalsContact C-N 3.31Å; F1099-N1101 PolarHBondContact O-N 3.19Å; F1099-R1102 WeakPolarHBondContact O-CA 3.42Å; F1099-R1102 PolarHBondContact O-N 2.88Å; F1099-F1104 HydrophobicContact CB-CE1 4.06Å; F1099-F1104 HydrophobicContact CB-CE2 4.1Å; F1099-F1104 HydrophobicContact CB-CZ 3.7Å; F1099-F1104 HydrophobicContact CD2-CD2 4.11Å; F1099-F1104 AromaticContact CD2-CE2 3.86Å; F1099-F1104 HydrophobicContact CD2-CE2 3.86Å; F1099-F1104 HydrophobicContact CD2-CZ 4.33Å; F1099-F1104 HydrophobicContact CG-CE2 4.41Å; F1099-F1104 HydrophobicContact CG-CZ 4.48Å; F1099-W1106 HydrophobicContact CE1-CH2 4.03Å; F1099-W1106 AromaticContact CE1-CZ2 3.85Å; F1099-W1106 HydrophobicContact CE1-CZ2 3.85Å; F1099-W1106 HydrophobicContact CE2-CD2 4.04Å; F1099-W1106 HydrophobicContact CE2-CE3 4.32Å; F1099-W1106 HydrophobicContact CE2-CG 4.34Å; F1099-W1106 AromaticContact CZ-CD2 3.72Å; F1099-W1106 HydrophobicContact CZ-CD2 3.72Å; F1099-W1106 AromaticContact CZ-CE2 3.4Å; F1099-W1106 VanDerWaalsContact CZ-CE2 3.4Å; F1099-W1106 HydrophobicContact CZ-CE3 4.1Å; F1099-W1106 HydrophobicContact CZ-CG 4.28Å; F1099-W1106 AromaticContact CZ-CH2 3.94Å; F1099-W1106 HydrophobicContact CZ-CH2 3.94Å; F1099-W1106 AromaticContact CZ-CZ2 3.53Å; F1099-W1106 HydrophobicContact CZ-CZ2 3.53Å; F1099-W1106 HydrophobicContact CZ-CZ3 4.21Å; F1099-W1106 AromaticContact CZ-NE1 3.76Å; F1099-Y1123 HydrophobicContact CE1-CD2 4.04Å
1100S78.8Confident79.5Confident56 Ų5660.7 Ų60.739%0.39231%0.309SS..Hα-helixtrans-63.8-35.5179-172.20000112.2Y1096 T1097 R1102Y1096-S1100 WeakPolarHBondContact O-CB 3.42Å; Y1096-S1100 PolarHBondContact O-N 3.03Å; T1097-S1100 PolarHBondContact O-N 3.25Å; S1100-R1102 PolarHBondContact O-N 3.45Å; S1100-R1102 VanDerWaalsContact O-N 3.14Å
1101N79.2Confident78.9Confident116 Ų11662.4 Ų62.462%0.6232%0.321SS*.THydrogen-bonded Turntrans-70.72170.5-69.9-21.9000114T1097 F1099 N1103T1097-N1101 WeakPolarHBondContact O-CB 3.31Å; T1097-N1101 PolarHBondContact O-N 3.42Å; T1097-N1101 PolarHBondContact O-ND2 2.89Å; T1097-N1101 VanDerWaalsContact O-ND2 3.12Å; F1099-N1101 VanDerWaalsContact C-N 3.31Å; F1099-N1101 PolarHBondContact O-N 3.19Å; N1101-N1103 PolarHBondContact O-N 3.47Å
1102R74.1Confident78.1Confident226 Ų22665.4 Ų65.485%0.85333%0.328SS*.THydrogen-bonded Turntrans62.431.2-178.4-52.4-177.4178.7-170-1.6114.8S1098 F1099 S1100 F1104S1098-R1102 PolarHBondContact O-N 3.46Å; F1099-R1102 WeakPolarHBondContact O-CA 3.42Å; F1099-R1102 PolarHBondContact O-N 2.88Å; S1100-R1102 PolarHBondContact O-N 3.45Å; S1100-R1102 VanDerWaalsContact O-N 3.14Å; R1102-F1104 PolarHBondContact O-N 3.39Å
1103N72.6Confident77.2Confident96 Ų9666.4 Ų66.451%0.51334%0.335SS..SBendtrans-71.6-14.2176-65.2-24.2000113.6S1098 N1101S1098-N1103 WeakPolarHBondContact CA-ND2 3.32Å; S1098-N1103 VanDerWaalsContact O-CB 3.23Å; S1098-N1103 WeakPolarHBondContact O-CB 3.45Å; S1098-N1103 PolarHBondContact O-N 3.13Å; S1098-N1103 PolarHBondContact O-ND2 3.14Å; S1098-N1103 WeakPolarHBondContact OG-CB 3.41Å; S1098-N1103 PolarHBondContact OG-ND2 3.25Å; N1101-N1103 PolarHBondContact O-N 3.47Å
1104F78.8Confident76.7Confident10 Ų1066.9 Ų66.94%0.04434%0.34CS..SBendtrans-163.7159178.363.4-88.8000111.5E1095 F1099 R1102 D1108 A1109 L1119E1095-F1104 VanDerWaalsContact OE2-CZ 3.29Å; E1095-F1104 WeakPolarHBondContact OE2-CZ 3.49Å; F1099-F1104 HydrophobicContact CB-CE1 4.06Å; F1099-F1104 HydrophobicContact CB-CE2 4.1Å; F1099-F1104 HydrophobicContact CB-CZ 3.7Å; F1099-F1104 HydrophobicContact CD2-CD2 4.11Å; F1099-F1104 AromaticContact CD2-CE2 3.86Å; F1099-F1104 HydrophobicContact CD2-CE2 3.86Å; F1099-F1104 HydrophobicContact CD2-CZ 4.33Å; F1099-F1104 HydrophobicContact CG-CE2 4.41Å; F1099-F1104 HydrophobicContact CG-CZ 4.48Å; R1102-F1104 PolarHBondContact O-N 3.39Å; F1104-D1108 HydrophobicContact CB-CB 3.81Å; F1104-D1108 HydrophobicContact CD2-CB 4.15Å; F1104-D1108 HydrophobicContact CG-CB 4.44Å; F1104-A1109 HydrophobicContact CD2-CB 4.11Å; F1104-A1109 HydrophobicContact CE2-CB 3.74Å; F1104-L1119 HydrophobicContact CE2-CD1 4.25Å; F1104-L1119 HydrophobicContact CZ-CD1 4.27Å
1105E78.5Confident76.6Confident110 Ų11061.3 Ų61.351%0.51431%0.314SS..  trans-96.7171.6-179.4-67.8-160.2-172.500113.8S1107 D1108 A1109 K1133E1105-S1107 PolarHBondContact O-N 2.98Å; E1105-D1108 PolarHBondContact N-OD2 2.99Å; E1105-D1108 WeakPolarHBondContact O-CB 3.44Å; E1105-D1108 PolarHBondContact O-N 3.37Å; E1105-A1109 PolarHBondContact O-N 3.34Å; E1105-K1133 IonicContact OE2-NZ 2.61Å; E1105-K1133 PolarHBondContact OE2-NZ 3.23Å
1106W78.5Confident76.8Confident25 Ų2558.6 Ų58.610%0.09530%0.301CS..Hα-helixtrans-54.5-34.8174.2-72112.7000113.8F1099 A1109 V1110 F1116 L1120 Y1123 P1131 K1133 P1134 L1137F1099-W1106 HydrophobicContact CE1-CH2 4.03Å; F1099-W1106 AromaticContact CE1-CZ2 3.85Å; F1099-W1106 HydrophobicContact CE1-CZ2 3.85Å; F1099-W1106 HydrophobicContact CE2-CD2 4.04Å; F1099-W1106 HydrophobicContact CE2-CE3 4.32Å; F1099-W1106 HydrophobicContact CE2-CG 4.34Å; F1099-W1106 AromaticContact CZ-CD2 3.72Å; F1099-W1106 HydrophobicContact CZ-CD2 3.72Å; F1099-W1106 AromaticContact CZ-CE2 3.4Å; F1099-W1106 VanDerWaalsContact CZ-CE2 3.4Å; F1099-W1106 HydrophobicContact CZ-CE3 4.1Å; F1099-W1106 HydrophobicContact CZ-CG 4.28Å; F1099-W1106 AromaticContact CZ-CH2 3.94Å; F1099-W1106 HydrophobicContact CZ-CH2 3.94Å; F1099-W1106 AromaticContact CZ-CZ2 3.53Å; F1099-W1106 HydrophobicContact CZ-CZ2 3.53Å; F1099-W1106 HydrophobicContact CZ-CZ3 4.21Å; F1099-W1106 AromaticContact CZ-NE1 3.76Å; W1106-A1109 WeakPolarHBondContact O-CB 3.45Å; W1106-A1109 PolarHBondContact O-N 3.04Å; W1106-V1110 PolarHBondContact O-N 3.36Å; W1106-F1116 HydrophobicContact CE3-CD2 4.29Å; W1106-F1116 AromaticContact CE3-CE2 3.82Å; W1106-F1116 HydrophobicContact CE3-CE2 3.82Å; W1106-F1116 HydrophobicContact CZ3-CE2 4.28Å; W1106-L1120 HydrophobicContact CH2-CD1 3.63Å; W1106-L1120 HydrophobicContact CZ2-CD1 4.37Å; W1106-L1120 HydrophobicContact CZ3-CB 4.32Å; W1106-L1120 HydrophobicContact CZ3-CD1 3.85Å; W1106-Y1123 HydrophobicContact CH2-CD2 4.45Å; W1106-Y1123 HydrophobicContact CH2-CG 4.12Å; W1106-Y1123 HydrophobicContact CZ2-CD1 4.33Å; W1106-Y1123 HydrophobicContact CZ2-CD2 4.12Å; W1106-Y1123 HydrophobicContact CZ2-CE2 4.44Å; W1106-Y1123 HydrophobicContact CZ2-CG 4.06Å; W1106-P1131 HydrophobicContact CZ2-CG 4.09Å; W1106-K1133 HydrophobicContact CB-CD 4.4Å; W1106-K1133 HydrophobicContact CB-CG 4.28Å; W1106-P1134 HydrophobicContact CD2-CB 3.97Å; W1106-P1134 HydrophobicContact CD2-CG 3.89Å; W1106-P1134 HydrophobicContact CE3-CB 3.89Å; W1106-P1134 HydrophobicContact CE3-CG 4.2Å; W1106-P1134 HydrophobicContact CG-CB 4.46Å; W1106-P1134 HydrophobicContact CG-CG 4.37Å; W1106-P1134 HydrophobicContact CH2-CG 4.35Å; W1106-P1134 HydrophobicContact CZ2-CG 4.04Å; W1106-P1134 HydrophobicContact CZ3-CB 4.22Å; W1106-P1134 HydrophobicContact CZ3-CG 4.41Å; W1106-L1137 HydrophobicContact CB-CD1 3.85Å
1107S75.5Confident76.9Confident48 Ų4858.3 Ų58.334%0.33630%0.3SS..Hα-helixtrans-64.3-42.9174.340.10000111.8E1105 A1109 V1110 S1111E1105-S1107 PolarHBondContact O-N 2.98Å; S1107-A1109 VanDerWaalsContact C-N 3.33Å; S1107-V1110 PolarHBondContact O-N 3.49Å; S1107-S1111 PolarHBondContact O-N 3.39Å
1108D76Confident77.2Confident58 Ų5855.5 Ų55.531%0.3128%0.283SS..Hα-helixtrans-68.3-36.2176-54.1-40.3000110.9F1104 E1105 V1110 S1111 R1112F1104-D1108 HydrophobicContact CB-CB 3.81Å; F1104-D1108 HydrophobicContact CD2-CB 4.15Å; F1104-D1108 HydrophobicContact CG-CB 4.44Å; E1105-D1108 PolarHBondContact N-OD2 2.99Å; E1105-D1108 WeakPolarHBondContact O-CB 3.44Å; E1105-D1108 PolarHBondContact O-N 3.37Å; D1108-V1110 VanDerWaalsContact C-N 3.29Å; D1108-V1110 PolarHBondContact O-N 3.16Å; D1108-S1111 WeakPolarHBondContact CA-OG 3.22Å; D1108-S1111 CarbonylContact O-C 3.59Å; D1108-S1111 PolarHBondContact O-N 3.21Å; D1108-S1111 VanDerWaalsContact O-N 3.08Å; D1108-S1111 PolarHBondContact O-OG 3.47Å; D1108-R1112 HydrophobicContact CB-CG 4.5Å; D1108-R1112 WeakPolarHBondContact O-CB 3.37Å; D1108-R1112 WeakPolarHBondContact O-CG 3.37Å; D1108-R1112 PolarHBondContact O-N 3.42Å
1109A74.8Confident77.5Confident0 Ų054.1 Ų54.10%027%0.273CS..Hα-helixtrans-59.7-39.1178.200000112F1104 E1105 W1106 S1107 F1116 L1119F1104-A1109 HydrophobicContact CD2-CB 4.11Å; F1104-A1109 HydrophobicContact CE2-CB 3.74Å; E1105-A1109 PolarHBondContact O-N 3.34Å; W1106-A1109 WeakPolarHBondContact O-CB 3.45Å; W1106-A1109 PolarHBondContact O-N 3.04Å; S1107-A1109 VanDerWaalsContact C-N 3.33Å; A1109-F1116 HydrophobicContact CB-CD2 4.23Å; A1109-L1119 HydrophobicContact CB-CD1 4.23Å
1110V73.2Confident77.7Confident25 Ų2553 Ų5315%0.15227%0.268CS..Hα-helixtrans-66.7-37.3173.7174.90000111.5W1106 S1107 D1108 F1116 L1137 I1141 F1145W1106-V1110 PolarHBondContact O-N 3.36Å; S1107-V1110 PolarHBondContact O-N 3.49Å; D1108-V1110 VanDerWaalsContact C-N 3.29Å; D1108-V1110 PolarHBondContact O-N 3.16Å; V1110-F1116 HydrophobicContact CG2-CD1 4.35Å; V1110-F1116 HydrophobicContact CG2-CD2 3.43Å; V1110-F1116 VanDerWaalsContact CG2-CD2 3.43Å; V1110-F1116 HydrophobicContact CG2-CE1 4.42Å; V1110-F1116 HydrophobicContact CG2-CE2 3.52Å; V1110-F1116 HydrophobicContact CG2-CG 3.87Å; V1110-F1116 HydrophobicContact CG2-CZ 4.03Å; V1110-L1137 HydrophobicContact CG2-CB 4.24Å; V1110-L1137 HydrophobicContact CG2-CD1 4.05Å; V1110-I1141 HydrophobicContact CG1-CD1 3.94Å; V1110-I1141 HydrophobicContact CG1-CG1 4.13Å; V1110-I1141 HydrophobicContact CG2-CD1 4.11Å; V1110-F1145 HydrophobicContact CG1-CE1 4.03Å; V1110-F1145 WeakPolarHBondContact O-CZ 3.42Å
1111S69.2Low78.3Confident97 Ų9750.4 Ų50.468%0.67825%0.25SC*.Hα-helixtrans-84.2-27.7-178.766.10000114.9S1107 D1108S1107-S1111 PolarHBondContact O-N 3.39Å; D1108-S1111 WeakPolarHBondContact CA-OG 3.22Å; D1108-S1111 CarbonylContact O-C 3.59Å; D1108-S1111 PolarHBondContact O-N 3.21Å; D1108-S1111 VanDerWaalsContact O-N 3.08Å; D1108-S1111 PolarHBondContact O-OG 3.47Å
1112R67.1Low78.6Confident139 Ų13946 Ų4653%0.52523%0.225SC..Hα-helixtrans-82.2-35.9-169.3-80.9178.3173.4-1573.7114.1D1108D1108-R1112 HydrophobicContact CB-CG 4.5Å; D1108-R1112 WeakPolarHBondContact O-CB 3.37Å; D1108-R1112 WeakPolarHBondContact O-CG 3.37Å; D1108-R1112 PolarHBondContact O-N 3.42Å
1113S65.3Low79.3Confident21 Ų2137.9 Ų37.915%0.14719%0.194CC..  trans-153159.6-170.372.80000114.2M1115 Q1149S1113-M1115 PolarHBondContact O-N 3Å; S1113-M1115 WeakPolarHBondContact OG-CB 3.35Å; S1113-M1115 PolarHBondContact OG-N 3.07Å; S1113-Q1149 PolarHBondContact O-NE2 2.75Å
1114N72.4Confident80Confident75 Ų7533.3 Ų33.340%0.40117%0.17SC..THydrogen-bonded Turntrans-76.126.8169.2-65.3-40.4000112.4Q1149 M1152N1114-Q1149 PolarHBondContact O-OE1 3.11Å; N1114-Q1149 VanDerWaalsContact O-OE1 3.14Å; N1114-M1152 HydrophobicContact CB-CG 3.98Å; N1114-M1152 VanDerWaalsContact O-CB 3.25Å; N1114-M1152 WeakPolarHBondContact O-CB 3.15Å; N1114-M1152 VanDerWaalsContact O-CG 3.24Å; N1114-M1152 WeakPolarHBondContact O-CG 3.17Å
1115M81.3Confident80.3Confident11 Ų1133 Ų335%0.05417%0.169CC..THydrogen-bonded Turntrans-119.46.1-172-47.617910900113.6L1088 M1091 V1092 E1095 S1113 L1117 C1118 L1119 Q1149L1088-M1115 HydrophobicContact CD1-CE 3.4Å; M1091-M1115 HydrophobicContact CB-CE 3.85Å; M1091-M1115 HydrophobicContact CE-CE 4.42Å; V1092-M1115 HydrophobicContact CG2-CE 3.5Å; E1095-M1115 HydrophobicContact CG-SD 3.99Å; S1113-M1115 PolarHBondContact O-N 3Å; S1113-M1115 WeakPolarHBondContact OG-CB 3.35Å; S1113-M1115 PolarHBondContact OG-N 3.07Å; M1115-L1117 VanDerWaalsContact C-N 3.29Å; M1115-L1117 PolarHBondContact O-N 2.95Å; M1115-C1118 HydrophobicContact CB-CB 4.42Å; M1115-C1118 WeakPolarHBondContact O-CA 3.42Å; M1115-C1118 WeakPolarHBondContact O-CB 3.18Å; M1115-C1118 PolarHBondContact O-N 3.41Å; M1115-L1119 WeakPolarHBondContact O-CG 3.29Å; M1115-L1119 PolarHBondContact O-N 3.4Å; M1115-Q1149 VanDerWaalsContact N-OE1 3.15Å
1116F86.3Confident80.5Confident0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-52.2-45179.6168.5-101.1000112.3W1106 A1109 V1110 L1119 L1120 P1134 L1138 I1141W1106-F1116 HydrophobicContact CE3-CD2 4.29Å; W1106-F1116 AromaticContact CE3-CE2 3.82Å; W1106-F1116 HydrophobicContact CE3-CE2 3.82Å; W1106-F1116 HydrophobicContact CZ3-CE2 4.28Å; A1109-F1116 HydrophobicContact CB-CD2 4.23Å; V1110-F1116 HydrophobicContact CG2-CD1 4.35Å; V1110-F1116 HydrophobicContact CG2-CD2 3.43Å; V1110-F1116 VanDerWaalsContact CG2-CD2 3.43Å; V1110-F1116 HydrophobicContact CG2-CE1 4.42Å; V1110-F1116 HydrophobicContact CG2-CE2 3.52Å; V1110-F1116 HydrophobicContact CG2-CG 3.87Å; V1110-F1116 HydrophobicContact CG2-CZ 4.03Å; F1116-L1119 PolarHBondContact O-N 3.33Å; F1116-L1120 HydrophobicContact CE1-CD2 4.43Å; F1116-L1120 HydrophobicContact CZ-CD2 4.48Å; F1116-L1120 WeakPolarHBondContact O-CB 3.47Å; F1116-L1120 PolarHBondContact O-N 3.09Å; F1116-P1134 HydrophobicContact CE2-CB 3.94Å; F1116-P1134 HydrophobicContact CZ-CB 3.72Å; F1116-L1138 HydrophobicContact CE1-CD2 3.85Å; F1116-L1138 HydrophobicContact CE1-CG 3.98Å; F1116-L1138 HydrophobicContact CZ-CG 4.39Å; F1116-I1141 HydrophobicContact CD1-CD1 4.35Å; F1116-I1141 HydrophobicContact CE1-CD1 4.16Å
1117L87.5Confident80.7Confident0 Ų036.2 Ų36.20%018%0.181CC..Hα-helixtrans-67.9-33.9176.2-75.8-179.2000113M1115 L1120 F1121 L1138 L1146 Q1149 L1150 L1153 I1188M1115-L1117 VanDerWaalsContact C-N 3.29Å; M1115-L1117 PolarHBondContact O-N 2.95Å; L1117-L1120 HydrophobicContact CD2-CD2 4.42Å; L1117-L1120 PolarHBondContact O-N 3.2Å; L1117-F1121 WeakPolarHBondContact O-CB 3.48Å; L1117-F1121 PolarHBondContact O-N 2.95Å; L1117-L1138 HydrophobicContact CD2-CD2 4.24Å; L1117-L1146 HydrophobicContact CD1-CD1 3.94Å; L1117-Q1149 HydrophobicContact CB-CB 4.28Å; L1117-Q1149 HydrophobicContact CD1-CB 3.61Å; L1117-Q1149 HydrophobicContact CG-CB 3.84Å; L1117-L1150 HydrophobicContact CD1-CB 4.34Å; L1117-L1153 HydrophobicContact CB-CB 4.25Å; L1117-L1153 HydrophobicContact CB-CD2 4.31Å; L1117-I1188 HydrophobicContact CD1-CD1 3.39Å; L1117-I1188 HydrophobicContact CD1-CG1 4.36Å; L1117-I1188 HydrophobicContact CD2-CD1 3.96Å; L1117-I1188 HydrophobicContact CD2-CG1 4.38Å; L1117-I1188 HydrophobicContact CG-CD1 4.22Å
1118C88.3Confident81Confident0 Ų037.8 Ų37.80%018%0.183CC..Hα-helixtrans-67.9-41.4175.1-51.80000111.4V1092 M1115 F1121 R1122 Y1156V1092-C1118 HydrophobicContact CG1-CB 4.09Å; V1092-C1118 HydrophobicContact CG2-CB 3.92Å; M1115-C1118 HydrophobicContact CB-CB 4.42Å; M1115-C1118 WeakPolarHBondContact O-CA 3.42Å; M1115-C1118 WeakPolarHBondContact O-CB 3.18Å; M1115-C1118 PolarHBondContact O-N 3.41Å; C1118-F1121 PolarHBondContact O-N 3.17Å; C1118-R1122 VanDerWaalsContact O-CB 3.27Å; C1118-R1122 WeakPolarHBondContact O-CB 3.42Å; C1118-R1122 PolarHBondContact O-N 3.3Å; C1118-Y1156 HydrophobicContact CB-CD1 4.23Å; C1118-Y1156 HydrophobicContact CB-CG 4.39Å
1119L87.6Confident81.1Confident0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-64.2-42.9174.4-68.4175.2000111.3E1095 Y1096 F1104 A1109 M1115 F1116 R1122 Y1123E1095-L1119 HydrophobicContact CB-CD2 3.98Å; Y1096-L1119 HydrophobicContact CD2-CD2 4.27Å; F1104-L1119 HydrophobicContact CE2-CD1 4.25Å; F1104-L1119 HydrophobicContact CZ-CD1 4.27Å; A1109-L1119 HydrophobicContact CB-CD1 4.23Å; M1115-L1119 WeakPolarHBondContact O-CG 3.29Å; M1115-L1119 PolarHBondContact O-N 3.4Å; F1116-L1119 PolarHBondContact O-N 3.33Å; L1119-R1122 PolarHBondContact O-N 3.31Å; L1119-Y1123 VanDerWaalsContact O-CB 3.3Å; L1119-Y1123 WeakPolarHBondContact O-CB 3.45Å; L1119-Y1123 PolarHBondContact O-N 3.4Å
1120L87.6Confident81.2Confident0 Ų039.7 Ų39.70%019%0.193CC..Hα-helixtrans-63.9-43.3176.6-169.462.6000111.7W1106 F1116 L1117 Y1123 F1124 I1130 P1134 L1138 F1181 V1187W1106-L1120 HydrophobicContact CH2-CD1 3.63Å; W1106-L1120 HydrophobicContact CZ2-CD1 4.37Å; W1106-L1120 HydrophobicContact CZ3-CB 4.32Å; W1106-L1120 HydrophobicContact CZ3-CD1 3.85Å; F1116-L1120 HydrophobicContact CE1-CD2 4.43Å; F1116-L1120 HydrophobicContact CZ-CD2 4.48Å; F1116-L1120 WeakPolarHBondContact O-CB 3.47Å; F1116-L1120 PolarHBondContact O-N 3.09Å; L1117-L1120 HydrophobicContact CD2-CD2 4.42Å; L1117-L1120 PolarHBondContact O-N 3.2Å; L1120-Y1123 PolarHBondContact O-N 3.29Å; L1120-F1124 VanDerWaalsContact O-CB 3.26Å; L1120-F1124 WeakPolarHBondContact O-CB 3.29Å; L1120-F1124 PolarHBondContact O-N 3.08Å; L1120-I1130 HydrophobicContact CD1-CG2 4.13Å; L1120-P1134 HydrophobicContact CD1-CB 3.76Å; L1120-P1134 HydrophobicContact CD1-CG 3.76Å; L1120-L1138 HydrophobicContact CD2-CD1 4.13Å; L1120-F1181 HydrophobicContact CD2-CE2 4.44Å; L1120-F1181 HydrophobicContact CG-CE2 4.27Å; L1120-V1187 HydrophobicContact CD2-CG1 3.77Å
1121F89.7Confident81.3Confident1 Ų140 Ų400%0.00420%0.195CC..Hα-helixtrans-65.2-41.5174.8-178.4-106.9000112.2L1117 C1118 F1124 M1125 L1153 Y1156 I1157 T1177 L1178 F1181L1117-F1121 WeakPolarHBondContact O-CB 3.48Å; L1117-F1121 PolarHBondContact O-N 2.95Å; C1118-F1121 PolarHBondContact O-N 3.17Å; F1121-F1124 PolarHBondContact O-N 2.83Å; F1121-M1125 WeakPolarHBondContact O-CB 3.49Å; F1121-M1125 PolarHBondContact O-N 3.22Å; F1121-L1153 HydrophobicContact CB-CD1 3.75Å; F1121-L1153 HydrophobicContact CD1-CD1 4.32Å; F1121-L1153 HydrophobicContact CG-CD1 4.05Å; F1121-Y1156 HydrophobicContact CD1-CD1 4.36Å; F1121-Y1156 HydrophobicContact CD1-CE1 4.05Å; F1121-I1157 HydrophobicContact CD1-CG1 4.39Å; F1121-I1157 HydrophobicContact CE1-CG1 4.08Å; F1121-I1157 HydrophobicContact CZ-CG1 4.49Å; F1121-T1177 HydrophobicContact CD2-CG2 4.34Å; F1121-T1177 HydrophobicContact CE2-CG2 3.73Å; F1121-T1177 HydrophobicContact CZ-CG2 4.12Å; F1121-L1178 HydrophobicContact CE2-CB 4.16Å; F1121-L1178 HydrophobicContact CE2-CD1 4.23Å; F1121-L1178 HydrophobicContact CZ-CB 4.15Å; F1121-F1181 HydrophobicContact CB-CE2 4.23Å; F1121-F1181 HydrophobicContact CB-CZ 4.33Å; F1121-F1181 HydrophobicContact CD2-CB 4.05Å; F1121-F1181 HydrophobicContact CD2-CD1 4.14Å; F1121-F1181 AromaticContact CD2-CD2 3.92Å; F1121-F1181 HydrophobicContact CD2-CD2 3.92Å; F1121-F1181 HydrophobicContact CD2-CE2 4.35Å; F1121-F1181 AromaticContact CD2-CG 3.79Å; F1121-F1181 HydrophobicContact CD2-CG 3.79Å; F1121-F1181 HydrophobicContact CE2-CB 4.15Å; F1121-F1181 HydrophobicContact CE2-CG 4.38Å
1122R87.3Confident81.5Confident25 Ų2539.3 Ų39.39%0.09418%0.184CC..Hα-helixtrans-63.8-43176.2-177.770-147.6-163.32.4112Y1096 C1118 L1119 M1125 E1126Y1096-R1122 HydrophobicContact CD1-CG 3.62Å; Y1096-R1122 HydrophobicContact CD2-CB 3.88Å; Y1096-R1122 HydrophobicContact CD2-CG 3.44Å; Y1096-R1122 VanDerWaalsContact CD2-CG 3.44Å; Y1096-R1122 HydrophobicContact CE1-CG 3.84Å; Y1096-R1122 HydrophobicContact CE2-CB 4.12Å; Y1096-R1122 HydrophobicContact CE2-CG 3.67Å; Y1096-R1122 HydrophobicContact CG-CB 4.26Å; Y1096-R1122 HydrophobicContact CG-CG 3.4Å; Y1096-R1122 VanDerWaalsContact CG-CG 3.4Å; C1118-R1122 VanDerWaalsContact O-CB 3.27Å; C1118-R1122 WeakPolarHBondContact O-CB 3.42Å; C1118-R1122 PolarHBondContact O-N 3.3Å; L1119-R1122 PolarHBondContact O-N 3.31Å; R1122-M1125 PolarHBondContact O-N 3.42Å; R1122-E1126 PolarHBondContact O-N 3.12Å
1123Y87.2Confident82Confident55 Ų5537 Ų3722%0.21618%0.178CC..Hα-helixtrans-61.3-47.4173.2-175.6-86.4000111F1099 W1106 L1119 L1120 M1125 E1126 Y1127 N1129 P1131F1099-Y1123 HydrophobicContact CE1-CD2 4.04Å; W1106-Y1123 HydrophobicContact CH2-CD2 4.45Å; W1106-Y1123 HydrophobicContact CH2-CG 4.12Å; W1106-Y1123 HydrophobicContact CZ2-CD1 4.33Å; W1106-Y1123 HydrophobicContact CZ2-CD2 4.12Å; W1106-Y1123 HydrophobicContact CZ2-CE2 4.44Å; W1106-Y1123 HydrophobicContact CZ2-CG 4.06Å; L1119-Y1123 VanDerWaalsContact O-CB 3.3Å; L1119-Y1123 WeakPolarHBondContact O-CB 3.45Å; L1119-Y1123 PolarHBondContact O-N 3.4Å; L1120-Y1123 PolarHBondContact O-N 3.29Å; Y1123-M1125 VanDerWaalsContact C-N 3.32Å; Y1123-M1125 PolarHBondContact O-N 3.38Å; Y1123-E1126 PolarHBondContact O-N 2.93Å; Y1123-E1126 VanDerWaalsContact O-N 3.09Å; Y1123-Y1127 AromaticContact CD1-CD2 3.93Å; Y1123-Y1127 HydrophobicContact CD1-CD2 3.93Å; Y1123-Y1127 AromaticContact CD2-CD2 3.51Å; Y1123-Y1127 HydrophobicContact CD2-CD2 3.51Å; Y1123-Y1127 AromaticContact CD2-CE2 3.58Å; Y1123-Y1127 HydrophobicContact CD2-CE2 3.58Å; Y1123-Y1127 AromaticContact CE1-CD2 3.76Å; Y1123-Y1127 HydrophobicContact CE1-CD2 3.76Å; Y1123-Y1127 HydrophobicContact CE1-CG 4.27Å; Y1123-Y1127 AromaticContact CE2-CD2 3.34Å; Y1123-Y1127 HydrophobicContact CE2-CD2 3.34Å; Y1123-Y1127 AromaticContact CE2-CE2 3.39Å; Y1123-Y1127 HydrophobicContact CE2-CE2 3.39Å; Y1123-Y1127 HydrophobicContact CE2-CG 4.35Å; Y1123-Y1127 AromaticContact CG-CD2 3.81Å; Y1123-Y1127 HydrophobicContact CG-CD2 3.81Å; Y1123-Y1127 HydrophobicContact CG-CE2 4.3Å; Y1123-Y1127 AromaticContact CZ-CD2 3.46Å; Y1123-Y1127 VanDerWaalsContact CZ-CD2 3.46Å; Y1123-Y1127 AromaticContact CZ-CE2 3.97Å; Y1123-Y1127 WeakPolarHBondContact O-CD2 3.49Å; Y1123-Y1127 PolarHBondContact O-N 3.48Å; Y1123-N1129 WeakPolarHBondContact CE1-O 3.47Å; Y1123-P1131 HydrophobicContact CD1-CG 4.26Å; Y1123-P1131 HydrophobicContact CE1-CG 3.5Å
1124F87.1Confident82.5Confident0 Ų036 Ų360%017%0.171CC..Hα-helixtrans-61.8-38.4178.8-176.7-115000112.3L1120 F1121 E1126 Q1128 I1130 T1177 D1180 F1181 W1185L1120-F1124 VanDerWaalsContact O-CB 3.26Å; L1120-F1124 WeakPolarHBondContact O-CB 3.29Å; L1120-F1124 PolarHBondContact O-N 3.08Å; F1121-F1124 PolarHBondContact O-N 2.83Å; F1124-E1126 VanDerWaalsContact C-N 3.29Å; F1124-E1126 PolarHBondContact O-N 2.81Å; F1124-Q1128 VanDerWaalsContact CE2-C 3.44Å; F1124-Q1128 WeakPolarHBondContact O-CA 3.47Å; F1124-Q1128 PolarHBondContact O-N 3.28Å; F1124-I1130 HydrophobicContact CD2-CD1 4.12Å; F1124-I1130 HydrophobicContact CD2-CG1 3.54Å; F1124-I1130 HydrophobicContact CE2-CD1 4.44Å; F1124-I1130 HydrophobicContact CE2-CG1 4.02Å; F1124-I1130 HydrophobicContact CG-CG1 4.26Å; F1124-T1177 HydrophobicContact CD1-CG2 3.41Å; F1124-T1177 VanDerWaalsContact CD1-CG2 3.41Å; F1124-T1177 HydrophobicContact CE1-CG2 3.75Å; F1124-T1177 HydrophobicContact CG-CG2 4.38Å; F1124-D1180 HydrophobicContact CE1-CB 3.86Å; F1124-D1180 HydrophobicContact CZ-CB 3.92Å; F1124-F1181 HydrophobicContact CB-CD2 4.43Å; F1124-F1181 HydrophobicContact CD1-CB 4.07Å; F1124-F1181 AromaticContact CD1-CD2 3.89Å; F1124-F1181 HydrophobicContact CD1-CD2 3.89Å; F1124-F1181 HydrophobicContact CD1-CG 4.49Å; F1124-F1181 HydrophobicContact CE1-CB 4.16Å; F1124-F1181 HydrophobicContact CG-CD2 4.31Å; F1124-W1185 AromaticContact CE2-CD1 3.67Å; F1124-W1185 HydrophobicContact CE2-CD2 4.42Å; F1124-W1185 AromaticContact CE2-CE2 3.76Å; F1124-W1185 HydrophobicContact CE2-CG 4.36Å; F1124-W1185 HydrophobicContact CE2-CZ2 4.27Å; F1124-W1185 AromaticContact CE2-NE1 3.26Å; F1124-W1185 VanDerWaalsContact CE2-NE1 3.26Å; F1124-W1185 AromaticContact CZ-CD1 3.37Å; F1124-W1185 HydrophobicContact CZ-CG 4.35Å; F1124-W1185 AromaticContact CZ-NE1 3.27Å; F1124-W1185 VanDerWaalsContact CZ-NE1 3.27Å
1125M85.8Confident82.5Confident4 Ų433 Ų332%0.0216%0.155CC..Hα-helixtrans-64.1-31.1174.1-169.3175.345.200113.6F1121 R1122 Y1123 F1169 K1173 C1174 T1177F1121-M1125 WeakPolarHBondContact O-CB 3.49Å; F1121-M1125 PolarHBondContact O-N 3.22Å; R1122-M1125 PolarHBondContact O-N 3.42Å; Y1123-M1125 VanDerWaalsContact C-N 3.32Å; Y1123-M1125 PolarHBondContact O-N 3.38Å; M1125-F1169 HydrophobicContact CE-CD1 3.42Å; M1125-F1169 VanDerWaalsContact CE-CD1 3.42Å; M1125-F1169 HydrophobicContact CE-CE1 3.39Å; M1125-F1169 HydrophobicContact CE-CG 4.36Å; M1125-F1169 HydrophobicContact CE-CZ 4.31Å; M1125-F1169 HydrophobicContact SD-CB 4.48Å; M1125-F1169 HydrophobicContact SD-CD1 3.56Å; M1125-F1169 VanDerWaalsContact SD-CD1 3.56Å; M1125-F1169 HydrophobicContact SD-CD2 4.41Å; M1125-F1169 HydrophobicContact SD-CE1 3.68Å; M1125-F1169 HydrophobicContact SD-CG 3.93Å; M1125-F1169 HydrophobicContact SD-CZ 4.15Å; M1125-K1173 HydrophobicContact CG-CG 4.36Å; M1125-K1173 WeakPolarHBondContact O-CE 3.48Å; M1125-K1173 PolarHBondContact O-NZ 3.15Å; M1125-C1174 HydrophobicContact SD-CB 4.45Å; M1125-T1177 HydrophobicContact CB-CG2 3.8Å; M1125-T1177 HydrophobicContact CG-CG2 4.23Å
1126E83.6Confident82Confident90 Ų9035.2 Ų35.242%0.42117%0.171SC..Hα-helixtrans-82.8-45.8179.5-167.3164.1164.200112.2Y1096 R1122 Y1123 F1124Y1096-E1126 WeakPolarHBondContact CE1-OE2 3.44Å; Y1096-E1126 VanDerWaalsContact CZ-OE2 3.31Å; Y1096-E1126 PolarHBondContact OH-OE2 3.34Å; R1122-E1126 PolarHBondContact O-N 3.12Å; Y1123-E1126 PolarHBondContact O-N 2.93Å; Y1123-E1126 VanDerWaalsContact O-N 3.09Å; F1124-E1126 VanDerWaalsContact C-N 3.29Å; F1124-E1126 PolarHBondContact O-N 2.81Å
1127Y82.5Confident81.4Confident111 Ų11137 Ų3744%0.43518%0.18SC..Hα-helixtrans-105.6-9.6-171.3-58.8-70.3000115.5Y1123 N1129Y1123-Y1127 AromaticContact CD1-CD2 3.93Å; Y1123-Y1127 HydrophobicContact CD1-CD2 3.93Å; Y1123-Y1127 AromaticContact CD2-CD2 3.51Å; Y1123-Y1127 HydrophobicContact CD2-CD2 3.51Å; Y1123-Y1127 AromaticContact CD2-CE2 3.58Å; Y1123-Y1127 HydrophobicContact CD2-CE2 3.58Å; Y1123-Y1127 AromaticContact CE1-CD2 3.76Å; Y1123-Y1127 HydrophobicContact CE1-CD2 3.76Å; Y1123-Y1127 HydrophobicContact CE1-CG 4.27Å; Y1123-Y1127 AromaticContact CE2-CD2 3.34Å; Y1123-Y1127 HydrophobicContact CE2-CD2 3.34Å; Y1123-Y1127 AromaticContact CE2-CE2 3.39Å; Y1123-Y1127 HydrophobicContact CE2-CE2 3.39Å; Y1123-Y1127 HydrophobicContact CE2-CG 4.35Å; Y1123-Y1127 AromaticContact CG-CD2 3.81Å; Y1123-Y1127 HydrophobicContact CG-CD2 3.81Å; Y1123-Y1127 HydrophobicContact CG-CE2 4.3Å; Y1123-Y1127 AromaticContact CZ-CD2 3.46Å; Y1123-Y1127 VanDerWaalsContact CZ-CD2 3.46Å; Y1123-Y1127 AromaticContact CZ-CE2 3.97Å; Y1123-Y1127 WeakPolarHBondContact O-CD2 3.49Å; Y1123-Y1127 PolarHBondContact O-N 3.48Å; Y1127-N1129 PolarHBondContact O-N 3.4Å
1128Q80.3Confident80.8Confident82 Ų8237 Ų3738%0.38318%0.181SC..SBendtrans52.924.7-177.5-63.8-66.4-34.100114.5F1124 T1177F1124-Q1128 VanDerWaalsContact CE2-C 3.44Å; F1124-Q1128 WeakPolarHBondContact O-CA 3.47Å; F1124-Q1128 PolarHBondContact O-N 3.28Å; Q1128-T1177 PolarHBondContact NE2-OG1 3.06Å
1129N80.1Confident79.8Confident90 Ų9038.7 Ų38.748%0.48119%0.188SC..  trans-144.1152.2-179.1-168.815.5000110.2Y1123 Y1127 W1185Y1123-N1129 WeakPolarHBondContact CE1-O 3.47Å; Y1127-N1129 PolarHBondContact O-N 3.4Å; N1129-W1185 WeakPolarHBondContact OD1-CH2 3.49Å
1130I75.4Confident78.8Confident7 Ų744.2 Ų44.24%0.03621%0.214CC..  trans-116.8119.7-178.1-53.2-171.2000108.6L1120 F1124 I1135 W1185 V1187L1120-I1130 HydrophobicContact CD1-CG2 4.13Å; F1124-I1130 HydrophobicContact CD2-CD1 4.12Å; F1124-I1130 HydrophobicContact CD2-CG1 3.54Å; F1124-I1130 HydrophobicContact CE2-CD1 4.44Å; F1124-I1130 HydrophobicContact CE2-CG1 4.02Å; F1124-I1130 HydrophobicContact CG-CG1 4.26Å; I1130-I1135 HydrophobicContact CB-CD1 4.28Å; I1130-I1135 HydrophobicContact CG2-CD1 3.8Å; I1130-I1135 HydrophobicContact CG2-CG1 3.78Å; I1130-W1185 HydrophobicContact CB-CE3 4.08Å; I1130-W1185 HydrophobicContact CB-CZ3 4.02Å; I1130-W1185 HydrophobicContact CD1-CB 3.74Å; I1130-W1185 HydrophobicContact CD1-CD2 3.67Å; I1130-W1185 HydrophobicContact CD1-CE3 3.72Å; I1130-W1185 HydrophobicContact CD1-CG 3.7Å; I1130-W1185 HydrophobicContact CD1-CZ3 4.49Å; I1130-W1185 HydrophobicContact CG1-CD2 3.93Å; I1130-W1185 HydrophobicContact CG1-CE3 3.86Å; I1130-W1185 HydrophobicContact CG1-CG 4.39Å; I1130-W1185 HydrophobicContact CG1-CZ3 4.17Å; I1130-V1187 HydrophobicContact CD1-CG2 3.25Å
1131P75.6Confident78.2Confident31 Ų3144.8 Ų44.820%0.20122%0.217CC..  trans-70.3153.2-178.5-15.829.9000112.5W1106 Y1123 K1133 P1134W1106-P1131 HydrophobicContact CZ2-CG 4.09Å; Y1123-P1131 HydrophobicContact CD1-CG 4.26Å; Y1123-P1131 HydrophobicContact CE1-CG 3.5Å; P1131-K1133 VanDerWaalsContact C-N 3.3Å; P1131-K1133 PolarHBondContact O-N 2.96Å; P1131-P1134 HydrophobicContact CB-CG 4.16Å; P1131-P1134 HydrophobicContact CG-CG 4.32Å; P1131-P1134 WeakPolarHBondContact O-CD 3.39Å; P1131-P1134 VanDerWaalsContact O-CG 3.23Å; P1131-P1134 WeakPolarHBondContact O-CG 3.44Å
1132N72.9Confident77.4Confident84 Ų8447.7 Ų47.745%0.44924%0.237SC..Hα-helixtrans-62.5-31.7-179.7-68.1-3000113.6I1135 S1136N1132-I1135 WeakPolarHBondContact O-CB 3.45Å; N1132-I1135 PolarHBondContact O-N 3.03Å; N1132-S1136 PolarHBondContact O-N 3.09Å
1133K77.3Confident76.7Confident91 Ų9147.9 Ų47.940%0.39624%0.241SC..Hα-helixtrans-64.1-49.7-177.8-167.3169.7-176.7171.20114.2E1105 W1106 P1131 I1135 S1136 L1137E1105-K1133 IonicContact OE2-NZ 2.61Å; E1105-K1133 PolarHBondContact OE2-NZ 3.23Å; W1106-K1133 HydrophobicContact CB-CD 4.4Å; W1106-K1133 HydrophobicContact CB-CG 4.28Å; P1131-K1133 VanDerWaalsContact C-N 3.3Å; P1131-K1133 PolarHBondContact O-N 2.96Å; K1133-I1135 VanDerWaalsContact C-N 3.25Å; K1133-I1135 PolarHBondContact O-N 3.46Å; K1133-S1136 PolarHBondContact O-N 2.94Å; K1133-S1136 PolarHBondContact O-OG 2.88Å; K1133-L1137 HydrophobicContact CG-CD1 4.42Å; K1133-L1137 VanDerWaalsContact O-CG 3.3Å; K1133-L1137 WeakPolarHBondContact O-CG 3.46Å; K1133-L1137 PolarHBondContact O-N 3.02Å; K1133-L1137 VanDerWaalsContact O-N 3.09Å
1134P76Confident76.2Confident0 Ų049.4 Ų49.40%025%0.247CC..Hα-helixtrans-65.4-26.4172.123.6-33.1000113.4W1106 F1116 L1120 P1131 L1137 L1138W1106-P1134 HydrophobicContact CD2-CB 3.97Å; W1106-P1134 HydrophobicContact CD2-CG 3.89Å; W1106-P1134 HydrophobicContact CE3-CB 3.89Å; W1106-P1134 HydrophobicContact CE3-CG 4.2Å; W1106-P1134 HydrophobicContact CG-CB 4.46Å; W1106-P1134 HydrophobicContact CG-CG 4.37Å; W1106-P1134 HydrophobicContact CH2-CG 4.35Å; W1106-P1134 HydrophobicContact CZ2-CG 4.04Å; W1106-P1134 HydrophobicContact CZ3-CB 4.22Å; W1106-P1134 HydrophobicContact CZ3-CG 4.41Å; F1116-P1134 HydrophobicContact CE2-CB 3.94Å; F1116-P1134 HydrophobicContact CZ-CB 3.72Å; L1120-P1134 HydrophobicContact CD1-CB 3.76Å; L1120-P1134 HydrophobicContact CD1-CG 3.76Å; P1131-P1134 HydrophobicContact CB-CG 4.16Å; P1131-P1134 HydrophobicContact CG-CG 4.32Å; P1131-P1134 WeakPolarHBondContact O-CD 3.39Å; P1131-P1134 VanDerWaalsContact O-CG 3.23Å; P1131-P1134 WeakPolarHBondContact O-CG 3.44Å; P1134-L1137 PolarHBondContact O-N 2.67Å; P1134-L1138 WeakPolarHBondContact O-CG 3.35Å; P1134-L1138 PolarHBondContact O-N 2.9Å
1135I73.6Confident75.8Confident11 Ų1152 Ų526%0.05626%0.258CS..Hα-helixtrans-64.8-50.3172.8-71.7169.9000110.8I1130 N1132 K1133 L1137 L1138 H1139 I1278I1130-I1135 HydrophobicContact CB-CD1 4.28Å; I1130-I1135 HydrophobicContact CG2-CD1 3.8Å; I1130-I1135 HydrophobicContact CG2-CG1 3.78Å; N1132-I1135 WeakPolarHBondContact O-CB 3.45Å; N1132-I1135 PolarHBondContact O-N 3.03Å; K1133-I1135 VanDerWaalsContact C-N 3.25Å; K1133-I1135 PolarHBondContact O-N 3.46Å; I1135-L1137 VanDerWaalsContact C-N 3.3Å; I1135-L1137 PolarHBondContact O-N 3.33Å; I1135-L1138 WeakPolarHBondContact O-CB 3.36Å; I1135-L1138 PolarHBondContact O-N 3.31Å; I1135-H1139 PolarHBondContact O-CD2 3.34Å; I1135-H1139 PolarHBondContact O-N 2.73Å; I1135-I1278 HydrophobicContact CB-CD1 4.26Å; I1135-I1278 HydrophobicContact CD1-CG2 4.19Å; I1135-I1278 HydrophobicContact CG1-CD1 4.09Å; I1135-I1278 HydrophobicContact CG2-CD1 3.63Å; I1135-I1278 HydrophobicContact CG2-CG2 4.23Å
1136S69.7Low75.6Confident58 Ų5852 Ų5241%0.40626%0.258SS..Hα-helixtrans-62.9-36.8176.163.30000112.3N1132 K1133 L1138 H1139 H1140N1132-S1136 PolarHBondContact O-N 3.09Å; K1133-S1136 PolarHBondContact O-N 2.94Å; K1133-S1136 PolarHBondContact O-OG 2.88Å; S1136-L1138 PolarHBondContact O-N 3.28Å; S1136-H1139 PolarHBondContact O-N 2.94Å; S1136-H1140 PolarHBondContact O-CD2 3.19Å
1137L74.8Confident75.6Confident36 Ų3648 Ų4819%0.18824%0.239CC..Hα-helixtrans-63.4-37.2174.4-70.2166.9000112.9W1106 V1110 K1133 P1134 I1135 H1139 H1140 I1141W1106-L1137 HydrophobicContact CB-CD1 3.85Å; V1110-L1137 HydrophobicContact CG2-CB 4.24Å; V1110-L1137 HydrophobicContact CG2-CD1 4.05Å; K1133-L1137 HydrophobicContact CG-CD1 4.42Å; K1133-L1137 VanDerWaalsContact O-CG 3.3Å; K1133-L1137 WeakPolarHBondContact O-CG 3.46Å; K1133-L1137 PolarHBondContact O-N 3.02Å; K1133-L1137 VanDerWaalsContact O-N 3.09Å; P1134-L1137 PolarHBondContact O-N 2.67Å; I1135-L1137 VanDerWaalsContact C-N 3.3Å; I1135-L1137 PolarHBondContact O-N 3.33Å; L1137-H1139 VanDerWaalsContact C-N 3.26Å; L1137-H1139 PolarHBondContact O-N 2.75Å; L1137-H1140 PolarHBondContact O-N 3.14Å; L1137-H1140 VanDerWaalsContact O-N 3.15Å; L1137-I1141 VanDerWaalsContact O-CG1 3.28Å; L1137-I1141 WeakPolarHBondContact O-CG1 3.46Å; L1137-I1141 PolarHBondContact O-N 3.39Å
1138L74.6Confident75.6Confident2 Ų248.8 Ų48.81%0.0124%0.242CC..Hα-helixtrans-61-32.3175.4-79.9165.5000112.9F1116 L1117 L1120 P1134 I1135 S1136 H1140 L1146 V1187 W1277F1116-L1138 HydrophobicContact CE1-CD2 3.85Å; F1116-L1138 HydrophobicContact CE1-CG 3.98Å; F1116-L1138 HydrophobicContact CZ-CG 4.39Å; L1117-L1138 HydrophobicContact CD2-CD2 4.24Å; L1120-L1138 HydrophobicContact CD2-CD1 4.13Å; P1134-L1138 WeakPolarHBondContact O-CG 3.35Å; P1134-L1138 PolarHBondContact O-N 2.9Å; I1135-L1138 WeakPolarHBondContact O-CB 3.36Å; I1135-L1138 PolarHBondContact O-N 3.31Å; S1136-L1138 PolarHBondContact O-N 3.28Å; L1138-H1140 VanDerWaalsContact C-N 3.33Å; L1138-L1146 HydrophobicContact CD2-CD1 3.95Å; L1138-V1187 HydrophobicContact CD1-CG1 3.73Å; L1138-W1277 HydrophobicContact CB-CZ3 4.46Å
1139H66.8Low75.9Confident34 Ų3445 Ų4516%0.15722%0.224CC..Hα-helixtrans-72.1-23176.4-69.8-69.4000114I1135 S1136 L1137 W1277I1135-H1139 PolarHBondContact O-CD2 3.34Å; I1135-H1139 PolarHBondContact O-N 2.73Å; S1136-H1139 PolarHBondContact O-N 2.94Å; L1137-H1139 VanDerWaalsContact C-N 3.26Å; L1137-H1139 PolarHBondContact O-N 2.75Å; H1139-W1277 AromaticContact CE1-CE3 3.72Å; H1139-W1277 AromaticContact ND1-CE3 3.74Å
1140H67.6Low76.3Confident117 Ų11740.8 Ų40.854%0.54220%0.201SC..THydrogen-bonded Turntrans-100.42.9178.3-61.6-59.7000113.6S1136 L1137 L1138S1136-H1140 PolarHBondContact O-CD2 3.19Å; L1137-H1140 PolarHBondContact O-N 3.14Å; L1137-H1140 VanDerWaalsContact O-N 3.15Å; L1138-H1140 VanDerWaalsContact C-N 3.33Å
1141I73.3Confident76.9Confident12 Ų1243.1 Ų43.16%0.06221%0.21CC..SBendtrans-87.6122.6178.7-80.8167000110.1V1110 F1116 L1137 F1145 L1146V1110-I1141 HydrophobicContact CG1-CD1 3.94Å; V1110-I1141 HydrophobicContact CG1-CG1 4.13Å; V1110-I1141 HydrophobicContact CG2-CD1 4.11Å; F1116-I1141 HydrophobicContact CD1-CD1 4.35Å; F1116-I1141 HydrophobicContact CE1-CD1 4.16Å; L1137-I1141 VanDerWaalsContact O-CG1 3.28Å; L1137-I1141 WeakPolarHBondContact O-CG1 3.46Å; L1137-I1141 PolarHBondContact O-N 3.39Å; I1141-F1145 HydrophobicContact CD1-CD1 4.46Å; I1141-F1145 HydrophobicContact CG1-CD1 4.31Å; I1141-F1145 HydrophobicContact CG2-CB 4.14Å; I1141-F1145 HydrophobicContact CG2-CD1 3.8Å; I1141-F1145 HydrophobicContact CG2-CG 4.46Å; I1141-L1146 HydrophobicContact CG2-CB 3.89Å
1142S73.4Confident77.5Confident62 Ų6244.3 Ų44.343%0.43421%0.213SC..  trans-58.2141.4171.972.30000112.1R1144 F1145 L1146S1142-R1144 PolarHBondContact O-N 2.94Å; S1142-R1144 VanDerWaalsContact O-N 3.11Å; S1142-F1145 WeakPolarHBondContact O-CB 3.22Å; S1142-F1145 PolarHBondContact O-N 3.36Å; S1142-L1146 PolarHBondContact O-N 2.85Å
1143V73.9Confident78.3Confident28 Ų2840.3 Ų40.317%0.1719%0.192CC..Hα-helixtrans-53.3-36.8-179.8-178.80000112.4I837 Q840 Y841 F1145 L1146 N1147I837-V1143 HydrophobicContact CB-CG2 4.46Å; I837-V1143 HydrophobicContact CG1-CG2 4.02Å; I837-V1143 HydrophobicContact CG2-CG2 4Å; Q840-V1143 HydrophobicContact CG-CG1 4.42Å; Q840-V1143 HydrophobicContact CG-CG2 4.39Å; Y841-V1143 HydrophobicContact CE1-CG1 4.17Å; V1143-F1145 VanDerWaalsContact C-N 3.32Å; V1143-F1145 PolarHBondContact O-N 3.43Å; V1143-L1146 PolarHBondContact O-N 2.74Å; V1143-N1147 WeakPolarHBondContact O-CB 3.16Å; V1143-N1147 VanDerWaalsContact O-CG 3.25Å; V1143-N1147 PolarHBondContact O-N 3.49Å
1144R75.2Confident79Confident88 Ų8836 Ų3633%0.33217%0.173SC..Hα-helixtrans-58.4-40.8175-72178.4170.5143.2-10.2113D979 S1142 R1148D979-R1144 HydrophobicContact CB-CG 4.18Å; D979-R1144 IonicContact OD2-CZ 3.14Å; D979-R1144 IonicContact OD2-NE 2.75Å; D979-R1144 PolarHBondContact OD2-NE 2.99Å; D979-R1144 IonicContact OD2-NH2 2.73Å; D979-R1144 PolarHBondContact OD2-NH2 3.02Å; S1142-R1144 PolarHBondContact O-N 2.94Å; S1142-R1144 VanDerWaalsContact O-N 3.11Å; R1144-R1148 WeakPolarHBondContact O-CG 3.49Å; R1144-R1148 PolarHBondContact O-N 3.44Å
1145F79.2Confident79.6Confident53 Ų5336.6 Ų36.623%0.23218%0.176CC..Hα-helixtrans-75.9-41.1178.9-172-102.3000110.8V1110 I1141 S1142 V1143 N1147 R1148 Q1149V1110-F1145 HydrophobicContact CG1-CE1 4.03Å; V1110-F1145 WeakPolarHBondContact O-CZ 3.42Å; I1141-F1145 HydrophobicContact CD1-CD1 4.46Å; I1141-F1145 HydrophobicContact CG1-CD1 4.31Å; I1141-F1145 HydrophobicContact CG2-CB 4.14Å; I1141-F1145 HydrophobicContact CG2-CD1 3.8Å; I1141-F1145 HydrophobicContact CG2-CG 4.46Å; S1142-F1145 WeakPolarHBondContact O-CB 3.22Å; S1142-F1145 PolarHBondContact O-N 3.36Å; V1143-F1145 VanDerWaalsContact C-N 3.32Å; V1143-F1145 PolarHBondContact O-N 3.43Å; F1145-N1147 VanDerWaalsContact C-N 3.33Å; F1145-N1147 PolarHBondContact O-N 3.32Å; F1145-R1148 WeakPolarHBondContact O-CB 3.47Å; F1145-R1148 PolarHBondContact O-N 3.08Å; F1145-Q1149 HydrophobicContact CD1-CG 4.04Å; F1145-Q1149 HydrophobicContact CE1-CG 3.88Å; F1145-Q1149 HydrophobicContact CZ-CG 4.4Å; F1145-Q1149 WeakPolarHBondContact O-CG 3.45Å; F1145-Q1149 PolarHBondContact O-N 3.25Å; F1145-Q1149 VanDerWaalsContact O-N 3.08Å
1146L81.5Confident80.3Confident6 Ų636.2 Ų36.23%0.03117%0.174CC..Hα-helixtrans-58.3-42.8175.6-168.851.6000112.3Y841 L1117 L1138 I1141 S1142 V1143 R1148 Q1149 L1150 W1277Y841-L1146 WeakPolarHBondContact OH-CD2 3.38Å; L1117-L1146 HydrophobicContact CD1-CD1 3.94Å; L1138-L1146 HydrophobicContact CD2-CD1 3.95Å; I1141-L1146 HydrophobicContact CG2-CB 3.89Å; S1142-L1146 PolarHBondContact O-N 2.85Å; V1143-L1146 PolarHBondContact O-N 2.74Å; L1146-R1148 VanDerWaalsContact C-N 3.31Å; L1146-R1148 PolarHBondContact O-N 3.23Å; L1146-Q1149 WeakPolarHBondContact O-CB 3.33Å; L1146-Q1149 PolarHBondContact O-N 3.17Å; L1146-L1150 WeakPolarHBondContact O-CB 3.49Å; L1146-L1150 PolarHBondContact O-N 3.23Å; L1146-W1277 HydrophobicContact CD2-CH2 4.14Å
1147N84.6Confident81.3Confident4 Ų433.4 Ų33.42%0.02116%0.155CC..Hα-helixtrans-60.7-36.5174.9-72.3-9.8000112.6N980 V1143 F1145 R1151 F1196N980-N1147 PolarHBondContact OD1-ND2 3.26Å; V1143-N1147 WeakPolarHBondContact O-CB 3.16Å; V1143-N1147 VanDerWaalsContact O-CG 3.25Å; V1143-N1147 PolarHBondContact O-N 3.49Å; F1145-N1147 VanDerWaalsContact C-N 3.33Å; F1145-N1147 PolarHBondContact O-N 3.32Å; N1147-R1151 WeakPolarHBondContact O-CG 3.27Å; N1147-R1151 PolarHBondContact O-N 2.89Å; N1147-F1196 HydrophobicContact CB-CE1 4.04Å; N1147-F1196 HydrophobicContact CB-CZ 3.79Å; N1147-F1196 VanDerWaalsContact O-CE1 3.31Å; N1147-F1196 WeakPolarHBondContact O-CE1 3.06Å
1148R82.3Confident82Confident129 Ų12931.7 Ų31.749%0.48715%0.146SC..Hα-helixtrans-67.7-42.1175.4-67.6174.1-176-175.91.1111.9R1144 F1145 L1146 L1150R1144-R1148 WeakPolarHBondContact O-CG 3.49Å; R1144-R1148 PolarHBondContact O-N 3.44Å; F1145-R1148 WeakPolarHBondContact O-CB 3.47Å; F1145-R1148 PolarHBondContact O-N 3.08Å; L1146-R1148 VanDerWaalsContact C-N 3.31Å; L1146-R1148 PolarHBondContact O-N 3.23Å; R1148-L1150 VanDerWaalsContact C-N 3.33Å
1149Q86.1Confident82.6Confident1 Ų131.7 Ų31.71%0.00515%0.146CC..Hα-helixtrans-64.3-37.7177.1-63.6-80-10.900111.5S1113 N1114 M1115 L1117 F1145 L1146 M1152 L1153S1113-Q1149 PolarHBondContact O-NE2 2.75Å; N1114-Q1149 PolarHBondContact O-OE1 3.11Å; N1114-Q1149 VanDerWaalsContact O-OE1 3.14Å; M1115-Q1149 VanDerWaalsContact N-OE1 3.15Å; L1117-Q1149 HydrophobicContact CB-CB 4.28Å; L1117-Q1149 HydrophobicContact CD1-CB 3.61Å; L1117-Q1149 HydrophobicContact CG-CB 3.84Å; F1145-Q1149 HydrophobicContact CD1-CG 4.04Å; F1145-Q1149 HydrophobicContact CE1-CG 3.88Å; F1145-Q1149 HydrophobicContact CZ-CG 4.4Å; F1145-Q1149 WeakPolarHBondContact O-CG 3.45Å; F1145-Q1149 PolarHBondContact O-N 3.25Å; F1145-Q1149 VanDerWaalsContact O-N 3.08Å; L1146-Q1149 WeakPolarHBondContact O-CB 3.33Å; L1146-Q1149 PolarHBondContact O-N 3.17Å; Q1149-M1152 PolarHBondContact O-N 3.39Å; Q1149-L1153 PolarHBondContact O-N 2.96Å
1150L88.2Confident83.4Confident3 Ų330 Ų302%0.01614%0.138CC..Hα-helixtrans-67.1-38.9-179.9177.951.4000112.9L1117 L1146 R1148 M1152 L1153 C1154 I1188 R1192 F1193 F1196L1117-L1150 HydrophobicContact CD1-CB 4.34Å; L1146-L1150 WeakPolarHBondContact O-CB 3.49Å; L1146-L1150 PolarHBondContact O-N 3.23Å; R1148-L1150 VanDerWaalsContact C-N 3.33Å; L1150-M1152 VanDerWaalsContact C-N 3.31Å; L1150-M1152 PolarHBondContact O-N 3.05Å; L1150-L1153 HydrophobicContact CD1-CD2 4.37Å; L1150-L1153 PolarHBondContact O-N 2.99Å; L1150-C1154 PolarHBondContact O-N 3Å; L1150-C1154 PolarHBondContact O-SG 2.92Å; L1150-I1188 HydrophobicContact CD1-CD1 3.83Å; L1150-I1188 HydrophobicContact CD1-CG2 4.03Å; L1150-I1188 HydrophobicContact CD2-CG2 4.05Å; L1150-R1192 HydrophobicContact CD2-CB 4.24Å; L1150-F1193 HydrophobicContact CD1-CD2 4.22Å; L1150-F1196 HydrophobicContact CB-CD1 4.09Å; L1150-F1196 HydrophobicContact CB-CE1 4.29Å; L1150-F1196 HydrophobicContact CB-CG 4.46Å; L1150-F1196 HydrophobicContact CD2-CB 4.08Å; L1150-F1196 HydrophobicContact CD2-CD1 3.92Å; L1150-F1196 HydrophobicContact CD2-CD2 3.42Å; L1150-F1196 VanDerWaalsContact CD2-CD2 3.42Å; L1150-F1196 HydrophobicContact CD2-CE1 4.24Å; L1150-F1196 HydrophobicContact CD2-CE2 3.78Å; L1150-F1196 HydrophobicContact CD2-CG 3.51Å; L1150-F1196 HydrophobicContact CD2-CZ 4.18Å; L1150-F1196 HydrophobicContact CG-CB 3.89Å; L1150-F1196 HydrophobicContact CG-CD1 3.7Å; L1150-F1196 HydrophobicContact CG-CD2 4.07Å; L1150-F1196 HydrophobicContact CG-CE1 4.27Å; L1150-F1196 HydrophobicContact CG-CG 3.59Å
1151R88Confident84.3Confident56 Ų5625.4 Ų25.421%0.21112%0.117CC..Hα-helixtrans-55.3-46.7172.3-65.9171.5-172136.311.3111.9E982 N1147 L1153 C1154 D1155 F1196 H1200E982-R1151 IonicContact OE1-CZ 3.33Å; E982-R1151 IonicContact OE1-NE 2.69Å; E982-R1151 PolarHBondContact OE1-NE 3.18Å; E982-R1151 IonicContact OE1-NH2 3.17Å; E982-R1151 PolarHBondContact OE1-NH2 2.89Å; E982-R1151 VanDerWaalsContact OE1-NH2 3.17Å; E982-R1151 IonicContact OE2-CZ 3.62Å; E982-R1151 IonicContact OE2-NE 3.66Å; E982-R1151 IonicContact OE2-NH2 2.74Å; E982-R1151 PolarHBondContact OE2-NH2 3.42Å; N1147-R1151 WeakPolarHBondContact O-CG 3.27Å; N1147-R1151 PolarHBondContact O-N 2.89Å; R1151-L1153 VanDerWaalsContact C-N 3.33Å; R1151-L1153 PolarHBondContact O-N 2.85Å; R1151-C1154 PolarHBondContact O-N 3.42Å; R1151-D1155 PolarHBondContact O-N 3.37Å; R1151-D1155 VanDerWaalsContact O-N 3.1Å; R1151-F1196 HydrophobicContact CG-CD1 3.84Å; R1151-F1196 HydrophobicContact CG-CE1 3.99Å; R1151-H1200 HydrophobicContact CG-CB 4.19Å; R1151-H1200 PolarHBondContact O-CE1 2.54Å
1152M87.9Confident84.8Confident55 Ų5526.1 Ų26.127%0.27112%0.122SC..Hα-helixtrans-65.9-35.7179.4-65.5-60.1-56.500112.2L1088 N1114 Q1149 L1150 Y1156L1088-M1152 HydrophobicContact CD1-CE 3.53Å; L1088-M1152 HydrophobicContact CD2-CE 4.2Å; N1114-M1152 HydrophobicContact CB-CG 3.98Å; N1114-M1152 VanDerWaalsContact O-CB 3.25Å; N1114-M1152 WeakPolarHBondContact O-CB 3.15Å; N1114-M1152 VanDerWaalsContact O-CG 3.24Å; N1114-M1152 WeakPolarHBondContact O-CG 3.17Å; Q1149-M1152 PolarHBondContact O-N 3.39Å; L1150-M1152 VanDerWaalsContact C-N 3.31Å; L1150-M1152 PolarHBondContact O-N 3.05Å; M1152-Y1156 WeakPolarHBondContact O-CB 3.37Å; M1152-Y1156 PolarHBondContact O-N 3.25Å
1153L91.3Very high85.2Confident0 Ų025.9 Ų25.90%011%0.113CC..Hα-helixtrans-65.3-44.8174.3-179.966.4000111.8L1117 F1121 Q1149 L1150 R1151 Y1156 I1157 F1181 I1188L1117-L1153 HydrophobicContact CB-CB 4.25Å; L1117-L1153 HydrophobicContact CB-CD2 4.31Å; F1121-L1153 HydrophobicContact CB-CD1 3.75Å; F1121-L1153 HydrophobicContact CD1-CD1 4.32Å; F1121-L1153 HydrophobicContact CG-CD1 4.05Å; Q1149-L1153 PolarHBondContact O-N 2.96Å; L1150-L1153 HydrophobicContact CD1-CD2 4.37Å; L1150-L1153 PolarHBondContact O-N 2.99Å; R1151-L1153 VanDerWaalsContact C-N 3.33Å; R1151-L1153 PolarHBondContact O-N 2.85Å; L1153-Y1156 PolarHBondContact O-N 3.01Å; L1153-I1157 HydrophobicContact CD1-CD1 3.82Å; L1153-I1157 HydrophobicContact CD1-CG1 4.22Å; L1153-I1157 HydrophobicContact CD2-CD1 4.39Å; L1153-I1157 HydrophobicContact CG-CD1 3.72Å; L1153-I1157 WeakPolarHBondContact O-CD1 3.3Å; L1153-I1157 WeakPolarHBondContact O-CG1 3.48Å; L1153-I1157 PolarHBondContact O-N 3.28Å; L1153-F1181 HydrophobicContact CD2-CE1 3.81Å; L1153-F1181 HydrophobicContact CD2-CZ 4.48Å; L1153-I1188 HydrophobicContact CD2-CD1 3.45Å; L1153-I1188 VanDerWaalsContact CD2-CD1 3.45Å
1154C90.7Very high85Confident0 Ų027.9 Ų27.90%013%0.126CC..Hα-helixtrans-58.9-47.5175.7-67.60000111.7L1150 R1151 Y1156 I1157 V1158 L1197L1150-C1154 PolarHBondContact O-N 3Å; L1150-C1154 PolarHBondContact O-SG 2.92Å; R1151-C1154 PolarHBondContact O-N 3.42Å; C1154-Y1156 PolarHBondContact O-N 3.39Å; C1154-I1157 PolarHBondContact O-N 2.82Å; C1154-V1158 WeakPolarHBondContact O-CG2 3.47Å; C1154-V1158 PolarHBondContact O-N 3.17Å; C1154-L1197 HydrophobicContact CB-CD1 4.41Å
1155D88.8Confident84.5Confident14 Ų1428.6 Ų28.68%0.07515%0.15CC..Hα-helixtrans-64.7-37.3177.6-85.6-2.1000112.8K1081 L1085 L1088 R1151 S1159 H1200 Y1203K1081-D1155 IonicContact NZ-OD2 3.17Å; K1081-D1155 PolarHBondContact NZ-OD2 2.95Å; L1085-D1155 HydrophobicContact CD2-CB 3.63Å; L1085-D1155 WeakPolarHBondContact CD2-O 3.38Å; L1088-D1155 HydrophobicContact CD2-CB 3.81Å; R1151-D1155 PolarHBondContact O-N 3.37Å; R1151-D1155 VanDerWaalsContact O-N 3.1Å; D1155-S1159 WeakPolarHBondContact O-CB 3.28Å; D1155-S1159 PolarHBondContact O-N 3.34Å; D1155-H1200 VanDerWaalsContact CG-CE1 3.42Å; D1155-H1200 IonicContact OD1-CE1 3.11Å; D1155-H1200 PolarHBondContact OD1-CE1 2.88Å; D1155-H1200 IonicContact OD1-NE2 3.14Å; D1155-H1200 PolarHBondContact OD1-NE2 3.35Å; D1155-H1200 VanDerWaalsContact OD1-NE2 3.14Å; D1155-H1200 IonicContact OD2-CE1 3.54Å; D1155-Y1203 WeakPolarHBondContact OD1-CE1 3.48Å; D1155-Y1203 PolarHBondContact OD1-OH 3.21Å
1156Y89.4Confident83.7Confident2 Ų231.3 Ų31.31%0.00816%0.164CC..Hα-helixtrans-64.7-46.9174.7174.9-113.7000112.2V1092 C1118 F1121 M1152 L1153 C1154 S1159 S1160V1092-Y1156 HydrophobicContact CB-CD2 3.87Å; V1092-Y1156 HydrophobicContact CB-CE2 3.63Å; V1092-Y1156 HydrophobicContact CG1-CD2 4.07Å; V1092-Y1156 HydrophobicContact CG1-CE1 4.22Å; V1092-Y1156 HydrophobicContact CG1-CE2 3.6Å; V1092-Y1156 HydrophobicContact CG2-CD2 3.65Å; V1092-Y1156 HydrophobicContact CG2-CE2 3.97Å; V1092-Y1156 HydrophobicContact CG2-CG 4.16Å; C1118-Y1156 HydrophobicContact CB-CD1 4.23Å; C1118-Y1156 HydrophobicContact CB-CG 4.39Å; F1121-Y1156 HydrophobicContact CD1-CD1 4.36Å; F1121-Y1156 HydrophobicContact CD1-CE1 4.05Å; M1152-Y1156 WeakPolarHBondContact O-CB 3.37Å; M1152-Y1156 PolarHBondContact O-N 3.25Å; L1153-Y1156 PolarHBondContact O-N 3.01Å; C1154-Y1156 PolarHBondContact O-N 3.39Å; Y1156-S1159 PolarHBondContact O-N 3.22Å; Y1156-S1160 VanDerWaalsContact O-CB 3.29Å; Y1156-S1160 WeakPolarHBondContact O-CB 2.98Å; Y1156-S1160 PolarHBondContact O-N 2.86Å; Y1156-S1160 PolarHBondContact O-OG 3Å
1157I90.2Very high82.8Confident0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-61.8-51.5179.8-71.7161.7000110.7F1121 L1153 C1154 S1159 S1160 L1161 L1178 F1193 I1214F1121-I1157 HydrophobicContact CD1-CG1 4.39Å; F1121-I1157 HydrophobicContact CE1-CG1 4.08Å; F1121-I1157 HydrophobicContact CZ-CG1 4.49Å; L1153-I1157 HydrophobicContact CD1-CD1 3.82Å; L1153-I1157 HydrophobicContact CD1-CG1 4.22Å; L1153-I1157 HydrophobicContact CD2-CD1 4.39Å; L1153-I1157 HydrophobicContact CG-CD1 3.72Å; L1153-I1157 WeakPolarHBondContact O-CD1 3.3Å; L1153-I1157 WeakPolarHBondContact O-CG1 3.48Å; L1153-I1157 PolarHBondContact O-N 3.28Å; C1154-I1157 PolarHBondContact O-N 2.82Å; I1157-S1159 PolarHBondContact O-N 3.43Å; I1157-S1160 PolarHBondContact O-N 2.99Å; I1157-S1160 PolarHBondContact O-OG 3.23Å; I1157-L1161 HydrophobicContact CG2-CD1 4.09Å; I1157-L1161 PolarHBondContact O-N 3.49Å; I1157-L1161 VanDerWaalsContact O-N 3.15Å; I1157-L1178 HydrophobicContact CD1-CD1 3.59Å; I1157-L1178 HydrophobicContact CD1-CD2 4.44Å; I1157-L1178 HydrophobicContact CG2-CD2 3.88Å; I1157-F1193 HydrophobicContact CD1-CE2 3.6Å; I1157-F1193 HydrophobicContact CD1-CZ 3.88Å; I1157-I1214 HydrophobicContact CG2-CD1 3.93Å
1158V89.6Confident81.8Confident0 Ų039.2 Ų39.20%021%0.207CC..Hα-helixtrans-60.1-46.8179.3174.70000110.3C1154 S1160 L1161 T1162 L1197 Y1203 Q1207 V1211 I1214C1154-V1158 WeakPolarHBondContact O-CG2 3.47Å; C1154-V1158 PolarHBondContact O-N 3.17Å; V1158-S1160 PolarHBondContact O-N 3.19Å; V1158-L1161 PolarHBondContact O-N 3.33Å; V1158-T1162 WeakPolarHBondContact O-CB 3.32Å; V1158-T1162 PolarHBondContact O-N 2.85Å; V1158-T1162 PolarHBondContact O-OG1 3.15Å; V1158-L1197 HydrophobicContact CG2-CD1 3.74Å; V1158-Y1203 HydrophobicContact CB-CE1 3.99Å; V1158-Y1203 HydrophobicContact CG1-CD1 3.93Å; V1158-Y1203 HydrophobicContact CG1-CE1 3.77Å; V1158-Y1203 HydrophobicContact CG2-CE1 4.13Å; V1158-Y1203 HydrophobicContact CG2-CE2 4.25Å; V1158-Q1207 HydrophobicContact CG1-CB 3.94Å; V1158-Q1207 HydrophobicContact CG1-CG 4.47Å; V1158-V1211 HydrophobicContact CG1-CG2 4.3Å; V1158-V1211 HydrophobicContact CG2-CG2 3.69Å; V1158-I1214 HydrophobicContact CG2-CD1 4.09Å
1159S86.1Confident81.3Confident1 Ų134.8 Ų34.81%0.00719%0.191CC..Hα-helixtrans-58.6-45.1177.3-1710000112.5L1085 C1089 D1155 Y1156 I1157 L1161 T1162 F1163L1085-S1159 WeakPolarHBondContact O-CB 3.4Å; L1085-S1159 PolarHBondContact O-OG 3.28Å; C1089-S1159 PolarHBondContact SG-OG 3.43Å; D1155-S1159 WeakPolarHBondContact O-CB 3.28Å; D1155-S1159 PolarHBondContact O-N 3.34Å; Y1156-S1159 PolarHBondContact O-N 3.22Å; I1157-S1159 PolarHBondContact O-N 3.43Å; S1159-L1161 VanDerWaalsContact C-N 3.28Å; S1159-L1161 PolarHBondContact O-N 3.29Å; S1159-T1162 PolarHBondContact O-N 2.77Å; S1159-F1163 WeakPolarHBondContact O-CD2 3.45Å; S1159-F1163 PolarHBondContact O-N 3.29Å; S1159-F1163 WeakPolarHBondContact OG-CD2 3.29Å
1160S85.1Confident80.7Confident0 Ų039 Ų390%022%0.218CC..Hα-helixtrans-65.2-29.1-177.977.80000114.2Y1156 I1157 V1158Y1156-S1160 VanDerWaalsContact O-CB 3.29Å; Y1156-S1160 WeakPolarHBondContact O-CB 2.98Å; Y1156-S1160 PolarHBondContact O-N 2.86Å; Y1156-S1160 PolarHBondContact O-OG 3Å; I1157-S1160 PolarHBondContact O-N 2.99Å; I1157-S1160 PolarHBondContact O-OG 3.23Å; V1158-S1160 PolarHBondContact O-N 3.19Å
1161L85.5Confident80.2Confident19 Ų1940.5 Ų40.510%0.09923%0.227CC..Hα-helixtrans-91.5-23.9178.2-72.2169.5000112.9I1157 V1158 S1159 T1164 T1171 C1174 L1175 T1210 I1214I1157-L1161 HydrophobicContact CG2-CD1 4.09Å; I1157-L1161 PolarHBondContact O-N 3.49Å; I1157-L1161 VanDerWaalsContact O-N 3.15Å; V1158-L1161 PolarHBondContact O-N 3.33Å; S1159-L1161 VanDerWaalsContact C-N 3.28Å; S1159-L1161 PolarHBondContact O-N 3.29Å; L1161-T1164 WeakPolarHBondContact O-CG2 3.41Å; L1161-T1171 HydrophobicContact CD2-CG2 4.09Å; L1161-C1174 HydrophobicContact CD2-CB 4.06Å; L1161-L1175 HydrophobicContact CD1-CD2 3.67Å; L1161-L1175 HydrophobicContact CD1-CG 4.2Å; L1161-L1175 HydrophobicContact CD2-CG 4.16Å; L1161-T1210 HydrophobicContact CB-CG2 3.41Å; L1161-T1210 VanDerWaalsContact CB-CG2 3.41Å; L1161-I1214 HydrophobicContact CD1-CD1 3.79Å; L1161-I1214 HydrophobicContact CD1-CG1 3.62Å
1162T84.3Confident79.7Confident27 Ų2741.3 Ų41.317%0.16624%0.235CC..Hα-helixtrans-78.5-39.2170.8-590000112.1V1158 S1159 Q1207 T1210V1158-T1162 WeakPolarHBondContact O-CB 3.32Å; V1158-T1162 PolarHBondContact O-N 2.85Å; V1158-T1162 PolarHBondContact O-OG1 3.15Å; S1159-T1162 PolarHBondContact O-N 2.77Å; T1162-Q1207 HydrophobicContact CG2-CG 4.29Å; T1162-T1210 WeakPolarHBondContact OG1-CB 3.37Å; T1162-T1210 PolarHBondContact OG1-OG1 3.31Å
1163F81Confident79.5Confident57 Ų5742.5 Ų42.525%0.2524%0.239CC..  trans-108.151.1-176-57.8-68.5000112.5L1085 S1159 A1165 Q1166L1085-F1163 HydrophobicContact CB-CE2 4.39Å; S1159-F1163 WeakPolarHBondContact O-CD2 3.45Å; S1159-F1163 PolarHBondContact O-N 3.29Å; S1159-F1163 WeakPolarHBondContact OG-CD2 3.29Å; F1163-A1165 PolarHBondContact O-N 3.31Å; F1163-Q1166 HydrophobicContact CB-CG 4.4Å; F1163-Q1166 WeakPolarHBondContact O-CB 3.41Å; F1163-Q1166 PolarHBondContact O-N 2.72Å
1164T70.8Confident79.3Confident70 Ų7042.5 Ų42.543%0.42924%0.239SC..G310 helixtrans-51.5-35-175.258.10000114.2L1161 Q1166 V1167 T1171L1161-T1164 WeakPolarHBondContact O-CG2 3.41Å; T1164-Q1166 PolarHBondContact O-N 3.2Å; T1164-Q1166 VanDerWaalsContact O-N 3.12Å; T1164-V1167 PolarHBondContact O-N 3.39Å; T1164-T1171 HydrophobicContact CG2-CG2 3.39Å
1165A63.8Low79.1Confident103 Ų10342.8 Ų42.885%0.85124%0.24SC*.G310 helixtrans-63-14.3177.800000114.7F1163F1163-A1165 PolarHBondContact O-N 3.31Å
1166Q61.9Low79Confident110 Ų11044.1 Ų44.151%0.51425%0.251SS..G310 helixtrans-96.7-2.7-180-63.3-176-18.600113.6F1163 T1164F1163-Q1166 HydrophobicContact CB-CG 4.4Å; F1163-Q1166 WeakPolarHBondContact O-CB 3.41Å; F1163-Q1166 PolarHBondContact O-N 2.72Å; T1164-Q1166 PolarHBondContact O-N 3.2Å; T1164-Q1166 VanDerWaalsContact O-N 3.12Å
1167V62.3Low78.9Confident19 Ų1944 Ų4412%0.11525%0.25CS..SBendtrans-132.7130.9-167.8-148.20000112.5T1164 F1169T1164-V1167 PolarHBondContact O-N 3.39Å; V1167-F1169 HydrophobicContact CB-CD1 4.38Å; V1167-F1169 HydrophobicContact CB-CE1 4.09Å; V1167-F1169 HydrophobicContact CB-CZ 4.2Å; V1167-F1169 HydrophobicContact CG1-CD1 3.61Å; V1167-F1169 HydrophobicContact CG1-CE1 3.19Å; V1167-F1169 HydrophobicContact CG1-CE2 4.45Å; V1167-F1169 HydrophobicContact CG1-CG 4.42Å; V1167-F1169 HydrophobicContact CG1-CZ 3.71Å; V1167-F1169 PolarHBondContact O-N 3.48Å
1168N63.8Low79Confident158 Ų15844 Ų4485%0.84525%0.25SS*.SBendtrans-77.346.4-173.8-65.1-8.8000114
1169F72.8Confident78.9Confident36 Ų3644.5 Ų44.516%0.15825%0.254CS..SBendtrans-148159.4173.957.1-115.1000112.6M1125 V1167 C1174M1125-F1169 HydrophobicContact CE-CD1 3.42Å; M1125-F1169 VanDerWaalsContact CE-CD1 3.42Å; M1125-F1169 HydrophobicContact CE-CE1 3.39Å; M1125-F1169 HydrophobicContact CE-CG 4.36Å; M1125-F1169 HydrophobicContact CE-CZ 4.31Å; M1125-F1169 HydrophobicContact SD-CB 4.48Å; M1125-F1169 HydrophobicContact SD-CD1 3.56Å; M1125-F1169 VanDerWaalsContact SD-CD1 3.56Å; M1125-F1169 HydrophobicContact SD-CD2 4.41Å; M1125-F1169 HydrophobicContact SD-CE1 3.68Å; M1125-F1169 HydrophobicContact SD-CG 3.93Å; M1125-F1169 HydrophobicContact SD-CZ 4.15Å; V1167-F1169 HydrophobicContact CB-CD1 4.38Å; V1167-F1169 HydrophobicContact CB-CE1 4.09Å; V1167-F1169 HydrophobicContact CB-CZ 4.2Å; V1167-F1169 HydrophobicContact CG1-CD1 3.61Å; V1167-F1169 HydrophobicContact CG1-CE1 3.19Å; V1167-F1169 HydrophobicContact CG1-CE2 4.45Å; V1167-F1169 HydrophobicContact CG1-CG 4.42Å; V1167-F1169 HydrophobicContact CG1-CZ 3.71Å; V1167-F1169 PolarHBondContact O-N 3.48Å; F1169-C1174 HydrophobicContact CD2-CB 3.93Å; F1169-C1174 HydrophobicContact CE2-CB 3.46Å; F1169-C1174 VanDerWaalsContact CE2-CB 3.46Å; F1169-C1174 HydrophobicContact CZ-CB 4.06Å
1170T73.9Confident79Confident90 Ų9045.9 Ų45.955%0.55226%0.261SS*.  trans-75143.4170.955.60000110.6D1172 K1173 C1174T1170-D1172 PolarHBondContact O-N 2.84Å; T1170-K1173 PolarHBondContact O-N 3.4Å; T1170-K1173 WeakPolarHBondContact OG1-CB 3.39Å; T1170-K1173 PolarHBondContact OG1-N 3.36Å; T1170-C1174 PolarHBondContact O-N 3.11Å
1171T76.5Confident79.1Confident34 Ų3445.9 Ų45.921%0.20926%0.261CS..Hα-helixtrans-52.2-42.6175.841.60000112.3L1161 T1164 C1174 L1175 L1502L1161-T1171 HydrophobicContact CD2-CG2 4.09Å; T1164-T1171 HydrophobicContact CG2-CG2 3.39Å; T1171-C1174 WeakPolarHBondContact O-CB 3.46Å; T1171-C1174 PolarHBondContact O-N 2.83Å; T1171-L1175 WeakPolarHBondContact O-CG 3.38Å; T1171-L1175 PolarHBondContact O-N 2.98Å; T1171-L1502 HydrophobicContact CG2-CD2 4.44Å; T1171-L1502 WeakPolarHBondContact OG1-CD2 3.31Å
1172D77.5Confident79.3Confident72 Ų7245 Ų4539%0.38526%0.256SS..Hα-helixtrans-58.8-43.6175.7179.838.4000113T1170 C1174 L1175 S1176 M1498T1170-D1172 PolarHBondContact O-N 2.84Å; D1172-C1174 VanDerWaalsContact C-N 3.28Å; D1172-C1174 PolarHBondContact O-N 3.28Å; D1172-L1175 PolarHBondContact O-N 2.85Å; D1172-S1176 WeakPolarHBondContact O-CB 3.43Å; D1172-S1176 PolarHBondContact O-N 3.37Å; D1172-S1176 PolarHBondContact O-OG 3.33Å; D1172-M1498 HydrophobicContact CB-CE 3.76Å; D1172-M1498 WeakPolarHBondContact OD1-CE 3.3Å
1173K84.5Confident79.3Confident81 Ų8143.7 Ų43.735%0.35225%0.248SC..Hα-helixtrans-62.1-36176.2-172.9175.7-178.2-171.40112.1M1125 T1170 S1176 T1177M1125-K1173 HydrophobicContact CG-CG 4.36Å; M1125-K1173 WeakPolarHBondContact O-CE 3.48Å; M1125-K1173 PolarHBondContact O-NZ 3.15Å; T1170-K1173 PolarHBondContact O-N 3.4Å; T1170-K1173 WeakPolarHBondContact OG1-CB 3.39Å; T1170-K1173 PolarHBondContact OG1-N 3.36Å; K1173-S1176 WeakPolarHBondContact CA-OG 3.11Å; K1173-S1176 PolarHBondContact O-OG 3.07Å; K1173-S1176 VanDerWaalsContact O-OG 3.12Å; K1173-T1177 VanDerWaalsContact O-CB 3.23Å; K1173-T1177 WeakPolarHBondContact O-CB 3.36Å; K1173-T1177 PolarHBondContact O-N 3.17Å; K1173-T1177 VanDerWaalsContact O-N 3.14Å; K1173-T1177 PolarHBondContact O-OG1 3.12Å
1174C86Confident79.3Confident0 Ų046.7 Ų46.70%026%0.258CS..Hα-helixtrans-70.2-42.7176.5-175.10000112M1125 L1161 F1169 T1170 T1171 D1172 L1178M1125-C1174 HydrophobicContact SD-CB 4.45Å; L1161-C1174 HydrophobicContact CD2-CB 4.06Å; F1169-C1174 HydrophobicContact CD2-CB 3.93Å; F1169-C1174 HydrophobicContact CE2-CB 3.46Å; F1169-C1174 VanDerWaalsContact CE2-CB 3.46Å; F1169-C1174 HydrophobicContact CZ-CB 4.06Å; T1170-C1174 PolarHBondContact O-N 3.11Å; T1171-C1174 WeakPolarHBondContact O-CB 3.46Å; T1171-C1174 PolarHBondContact O-N 2.83Å; D1172-C1174 VanDerWaalsContact C-N 3.28Å; D1172-C1174 PolarHBondContact O-N 3.28Å; C1174-L1178 WeakPolarHBondContact O-CB 3.46Å; C1174-L1178 PolarHBondContact O-N 3.23Å
1175L86.3Confident79.6Confident6 Ų644.9 Ų44.93%0.03124%0.243CC..Hα-helixtrans-69.3-42.6-179.2-72.8171000112.5L1161 T1171 D1172 L1178 S1179 I1214 Y1217 L1501L1161-L1175 HydrophobicContact CD1-CD2 3.67Å; L1161-L1175 HydrophobicContact CD1-CG 4.2Å; L1161-L1175 HydrophobicContact CD2-CG 4.16Å; T1171-L1175 WeakPolarHBondContact O-CG 3.38Å; T1171-L1175 PolarHBondContact O-N 2.98Å; D1172-L1175 PolarHBondContact O-N 2.85Å; L1175-L1178 WeakPolarHBondContact O-CB 3.46Å; L1175-L1178 PolarHBondContact O-N 3.02Å; L1175-S1179 PolarHBondContact O-N 3.45Å; L1175-I1214 HydrophobicContact CD2-CG1 3.98Å; L1175-Y1217 VanDerWaalsContact C-CE1 3.41Å; L1175-Y1217 HydrophobicContact CB-CD1 3.75Å; L1175-Y1217 HydrophobicContact CB-CD2 3.98Å; L1175-Y1217 HydrophobicContact CB-CE1 3.57Å; L1175-Y1217 HydrophobicContact CB-CE2 3.8Å; L1175-Y1217 HydrophobicContact CB-CG 3.95Å; L1175-Y1217 HydrophobicContact CD1-CD2 3.81Å; L1175-Y1217 HydrophobicContact CD1-CE2 4.19Å; L1175-Y1217 HydrophobicContact CD1-CG 4.08Å; L1175-Y1217 HydrophobicContact CD2-CD1 4.41Å; L1175-Y1217 HydrophobicContact CD2-CG 4.3Å; L1175-Y1217 HydrophobicContact CG-CD2 4.42Å; L1175-Y1217 HydrophobicContact CG-CG 4.34Å; L1175-Y1217 WeakPolarHBondContact O-CE1 3.43Å; L1175-L1501 HydrophobicContact CD1-CD2 4.26Å
1176S86.9Confident80.3Confident42 Ų4240.4 Ų40.429%0.29421%0.205SC..Hα-helixtrans-62.5-46.2173.648.50000111.7D1172 K1173 L1178 S1179 D1180 Y1217D1172-S1176 WeakPolarHBondContact O-CB 3.43Å; D1172-S1176 PolarHBondContact O-N 3.37Å; D1172-S1176 PolarHBondContact O-OG 3.33Å; K1173-S1176 WeakPolarHBondContact CA-OG 3.11Å; K1173-S1176 PolarHBondContact O-OG 3.07Å; K1173-S1176 VanDerWaalsContact O-OG 3.12Å; S1176-L1178 VanDerWaalsContact C-N 3.27Å; S1176-L1178 PolarHBondContact O-N 3.45Å; S1176-S1179 WeakPolarHBondContact O-CB 3.45Å; S1176-S1179 PolarHBondContact O-N 3.25Å; S1176-D1180 PolarHBondContact O-N 3.34Å; S1176-Y1217 WeakPolarHBondContact CA-OH 3.44Å; S1176-Y1217 WeakPolarHBondContact CB-OH 3.37Å; S1176-Y1217 PolarHBondContact N-OH 3.43Å
1177T89.1Confident81.2Confident0 Ų035.7 Ų35.70%018%0.184CC..Hα-helixtrans-59.3-37.5173.8-580000111.8F1121 F1124 M1125 Q1128 K1173 D1180 F1181F1121-T1177 HydrophobicContact CD2-CG2 4.34Å; F1121-T1177 HydrophobicContact CE2-CG2 3.73Å; F1121-T1177 HydrophobicContact CZ-CG2 4.12Å; F1124-T1177 HydrophobicContact CD1-CG2 3.41Å; F1124-T1177 VanDerWaalsContact CD1-CG2 3.41Å; F1124-T1177 HydrophobicContact CE1-CG2 3.75Å; F1124-T1177 HydrophobicContact CG-CG2 4.38Å; M1125-T1177 HydrophobicContact CB-CG2 3.8Å; M1125-T1177 HydrophobicContact CG-CG2 4.23Å; Q1128-T1177 PolarHBondContact NE2-OG1 3.06Å; K1173-T1177 VanDerWaalsContact O-CB 3.23Å; K1173-T1177 WeakPolarHBondContact O-CB 3.36Å; K1173-T1177 PolarHBondContact O-N 3.17Å; K1173-T1177 VanDerWaalsContact O-N 3.14Å; K1173-T1177 PolarHBondContact O-OG1 3.12Å; T1177-D1180 PolarHBondContact O-N 3.29Å; T1177-F1181 VanDerWaalsContact O-CB 3.25Å; T1177-F1181 WeakPolarHBondContact O-CB 3.35Å; T1177-F1181 PolarHBondContact O-N 2.87Å
1178L90.9Very high82.4Confident0 Ų035.1 Ų35.10%018%0.18CC..Hα-helixtrans-66.8-41.8176.7-178.859.9000112.8F1121 I1157 C1174 L1175 S1176 F1181 C1182 F1193 I1214 L1218F1121-L1178 HydrophobicContact CE2-CB 4.16Å; F1121-L1178 HydrophobicContact CE2-CD1 4.23Å; F1121-L1178 HydrophobicContact CZ-CB 4.15Å; I1157-L1178 HydrophobicContact CD1-CD1 3.59Å; I1157-L1178 HydrophobicContact CD1-CD2 4.44Å; I1157-L1178 HydrophobicContact CG2-CD2 3.88Å; C1174-L1178 WeakPolarHBondContact O-CB 3.46Å; C1174-L1178 PolarHBondContact O-N 3.23Å; L1175-L1178 WeakPolarHBondContact O-CB 3.46Å; L1175-L1178 PolarHBondContact O-N 3.02Å; S1176-L1178 VanDerWaalsContact C-N 3.27Å; S1176-L1178 PolarHBondContact O-N 3.45Å; L1178-F1181 PolarHBondContact O-N 3.06Å; L1178-C1182 PolarHBondContact O-N 3.33Å; L1178-C1182 VanDerWaalsContact O-N 3.08Å; L1178-F1193 HydrophobicContact CD1-CE1 4.25Å; L1178-F1193 HydrophobicContact CD1-CE2 4.28Å; L1178-F1193 HydrophobicContact CD1-CZ 4.01Å; L1178-F1193 HydrophobicContact CD2-CE1 4.03Å; L1178-F1193 HydrophobicContact CD2-CZ 3.99Å; L1178-F1193 HydrophobicContact CG-CE1 4.49Å; L1178-I1214 HydrophobicContact CD2-CG2 3.83Å; L1178-L1218 HydrophobicContact CG-CD2 4.42Å
1179S88.6Confident83.5Confident10 Ų1028.2 Ų28.27%0.0714%0.143CC..Hα-helixtrans-56.7-50.2171.8176.70000110.5L1175 S1176 F1181 C1182 I1183 S1222L1175-S1179 PolarHBondContact O-N 3.45Å; S1176-S1179 WeakPolarHBondContact O-CB 3.45Å; S1176-S1179 PolarHBondContact O-N 3.25Å; S1179-F1181 PolarHBondContact O-N 2.77Å; S1179-C1182 PolarHBondContact O-N 3.38Å; S1179-I1183 VanDerWaalsContact O-CB 3.29Å; S1179-I1183 WeakPolarHBondContact O-CB 3.4Å; S1179-I1183 WeakPolarHBondContact O-CG1 3.31Å; S1179-I1183 PolarHBondContact O-N 3.45Å; S1179-S1222 PolarHBondContact OG-OG 3.45Å
1180D87.2Confident84.3Confident30 Ų3026.5 Ų26.516%0.1614%0.136CC..Iπ-helixtrans-65.3-39.2179.5-92.33.1000112.8F1124 S1176 T1177 C1182 R1184 W1185F1124-D1180 HydrophobicContact CE1-CB 3.86Å; F1124-D1180 HydrophobicContact CZ-CB 3.92Å; S1176-D1180 PolarHBondContact O-N 3.34Å; T1177-D1180 PolarHBondContact O-N 3.29Å; D1180-C1182 PolarHBondContact O-N 3.48Å; D1180-R1184 HydrophobicContact CB-CB 4.12Å; D1180-R1184 WeakPolarHBondContact O-CA 3.3Å; D1180-R1184 WeakPolarHBondContact O-CB 3.44Å; D1180-R1184 PolarHBondContact O-N 3.43Å; D1180-R1184 WeakPolarHBondContact OD1-CB 3.5Å; D1180-R1184 WeakPolarHBondContact OD1-CD 3.4Å; D1180-R1184 IonicContact OD1-NH1 2.75Å; D1180-R1184 WeakPolarHBondContact OD2-CD 3.44Å; D1180-R1184 IonicContact OD2-CZ 3.8Å; D1180-R1184 IonicContact OD2-NE 3.97Å; D1180-R1184 IonicContact OD2-NH1 3.84Å; D1180-R1184 PolarHBondContact OD2-NH1 2.92Å; D1180-W1185 PolarHBondContact O-N 3.16Å
1181F88.6Confident85.2Confident0 Ų022.5 Ų22.50%011%0.111CC..Iπ-helixtrans-64.3-40.9179.5-171.9-97.6000112.7L1120 F1121 F1124 L1153 T1177 L1178 S1179 V1187 I1188L1120-F1181 HydrophobicContact CD2-CE2 4.44Å; L1120-F1181 HydrophobicContact CG-CE2 4.27Å; F1121-F1181 HydrophobicContact CB-CE2 4.23Å; F1121-F1181 HydrophobicContact CB-CZ 4.33Å; F1121-F1181 HydrophobicContact CD2-CB 4.05Å; F1121-F1181 HydrophobicContact CD2-CD1 4.14Å; F1121-F1181 AromaticContact CD2-CD2 3.92Å; F1121-F1181 HydrophobicContact CD2-CD2 3.92Å; F1121-F1181 HydrophobicContact CD2-CE2 4.35Å; F1121-F1181 AromaticContact CD2-CG 3.79Å; F1121-F1181 HydrophobicContact CD2-CG 3.79Å; F1121-F1181 HydrophobicContact CE2-CB 4.15Å; F1121-F1181 HydrophobicContact CE2-CG 4.38Å; F1124-F1181 HydrophobicContact CB-CD2 4.43Å; F1124-F1181 HydrophobicContact CD1-CB 4.07Å; F1124-F1181 AromaticContact CD1-CD2 3.89Å; F1124-F1181 HydrophobicContact CD1-CD2 3.89Å; F1124-F1181 HydrophobicContact CD1-CG 4.49Å; F1124-F1181 HydrophobicContact CE1-CB 4.16Å; F1124-F1181 HydrophobicContact CG-CD2 4.31Å; L1153-F1181 HydrophobicContact CD2-CE1 3.81Å; L1153-F1181 HydrophobicContact CD2-CZ 4.48Å; T1177-F1181 VanDerWaalsContact O-CB 3.25Å; T1177-F1181 WeakPolarHBondContact O-CB 3.35Å; T1177-F1181 PolarHBondContact O-N 2.87Å; L1178-F1181 PolarHBondContact O-N 3.06Å; S1179-F1181 PolarHBondContact O-N 2.77Å; F1181-V1187 HydrophobicContact CD1-CB 4.34Å; F1181-V1187 HydrophobicContact CD2-CB 4.24Å; F1181-V1187 HydrophobicContact CD2-CG2 3.84Å; F1181-V1187 HydrophobicContact CE1-CB 3.99Å; F1181-V1187 HydrophobicContact CE1-CG1 4.2Å; F1181-V1187 HydrophobicContact CE2-CB 3.89Å; F1181-V1187 HydrophobicContact CE2-CG1 3.87Å; F1181-V1187 HydrophobicContact CE2-CG2 3.78Å; F1181-V1187 HydrophobicContact CG-CB 4.46Å; F1181-V1187 HydrophobicContact CG-CG2 4.32Å; F1181-V1187 HydrophobicContact CZ-CB 3.76Å; F1181-V1187 HydrophobicContact CZ-CG1 3.59Å; F1181-V1187 HydrophobicContact CZ-CG2 4.19Å; F1181-V1187 PolarHBondContact O-N 3.44Å; F1181-I1188 HydrophobicContact CE1-CD1 3.86Å; F1181-I1188 HydrophobicContact CE1-CG1 3.96Å
1182C88Confident85.8Confident0 Ų021.1 Ų21.10%010%0.102CC..Iπ-helixtrans-87.3-25.2-177.2-73.40000115L1178 S1179 D1180 H1186 I1188 L1190L1178-C1182 PolarHBondContact O-N 3.33Å; L1178-C1182 VanDerWaalsContact O-N 3.08Å; S1179-C1182 PolarHBondContact O-N 3.38Å; D1180-C1182 PolarHBondContact O-N 3.48Å; C1182-H1186 PolarHBondContact O-CD2 3.37Å; C1182-H1186 VanDerWaalsContact O-CD2 3.28Å; C1182-I1188 WeakPolarHBondContact CA-O 3.37Å; C1182-L1190 HydrophobicContact CB-CB 4.38Å; C1182-L1190 HydrophobicContact CB-CD1 4.4Å
1183I84.8Confident86.5Confident0 Ų017.7 Ų17.70%08%0.084CC..Iπ-helixtrans-124.8-36.7-167.3-47159000112.4S1179 H1186 L1190 L1218 S1222 Q1224 I1225 I1273S1179-I1183 VanDerWaalsContact O-CB 3.29Å; S1179-I1183 WeakPolarHBondContact O-CB 3.4Å; S1179-I1183 WeakPolarHBondContact O-CG1 3.31Å; S1179-I1183 PolarHBondContact O-N 3.45Å; I1183-H1186 PolarHBondContact O-CE1 3.09Å; I1183-H1186 PolarHBondContact O-ND1 2.68Å; I1183-H1186 PolarHBondContact O-NE2 3.45Å; I1183-L1190 HydrophobicContact CD1-CD2 4.28Å; I1183-L1190 HydrophobicContact CG1-CB 4.38Å; I1183-L1190 HydrophobicContact CG1-CD2 4.26Å; I1183-L1218 HydrophobicContact CD1-CD2 4.43Å; I1183-S1222 VanDerWaalsContact CD1-OG 3.29Å; I1183-S1222 WeakPolarHBondContact CD1-OG 3.43Å; I1183-Q1224 VanDerWaalsContact C-OE1 3.32Å; I1183-Q1224 HydrophobicContact CG2-CB 4.02Å; I1183-Q1224 PolarHBondContact O-OE1 2.98Å; I1183-I1225 HydrophobicContact CD1-CD1 3.4Å; I1183-I1225 VanDerWaalsContact CD1-CD1 3.4Å; I1183-I1225 HydrophobicContact CD1-CG1 3.99Å; I1183-I1225 HydrophobicContact CG1-CD1 4.09Å; I1183-I1225 HydrophobicContact CG2-CG1 4.13Å; I1183-I1273 HydrophobicContact CG2-CG2 4.37Å
1184R80.9Confident87Confident120 Ų12013.9 Ų13.945%0.4537%0.067SC..Iπ-helixtrans-84.8-44179.9-178178.7-178.3170.33.7112.2D1180D1180-R1184 HydrophobicContact CB-CB 4.12Å; D1180-R1184 WeakPolarHBondContact O-CA 3.3Å; D1180-R1184 WeakPolarHBondContact O-CB 3.44Å; D1180-R1184 PolarHBondContact O-N 3.43Å; D1180-R1184 WeakPolarHBondContact OD1-CB 3.5Å; D1180-R1184 WeakPolarHBondContact OD1-CD 3.4Å; D1180-R1184 IonicContact OD1-NH1 2.75Å; D1180-R1184 WeakPolarHBondContact OD2-CD 3.44Å; D1180-R1184 IonicContact OD2-CZ 3.8Å; D1180-R1184 IonicContact OD2-NE 3.97Å; D1180-R1184 IonicContact OD2-NH1 3.84Å; D1180-R1184 PolarHBondContact OD2-NH1 2.92Å
1185W77Confident87.3Confident31 Ų3114 Ų1412%0.1177%0.068CC..SBendtrans-97.1-18.2179.3-69.688.2000113.3F1124 N1129 I1130 D1180 V1187 P1281F1124-W1185 AromaticContact CE2-CD1 3.67Å; F1124-W1185 HydrophobicContact CE2-CD2 4.42Å; F1124-W1185 AromaticContact CE2-CE2 3.76Å; F1124-W1185 HydrophobicContact CE2-CG 4.36Å; F1124-W1185 HydrophobicContact CE2-CZ2 4.27Å; F1124-W1185 AromaticContact CE2-NE1 3.26Å; F1124-W1185 VanDerWaalsContact CE2-NE1 3.26Å; F1124-W1185 AromaticContact CZ-CD1 3.37Å; F1124-W1185 HydrophobicContact CZ-CG 4.35Å; F1124-W1185 AromaticContact CZ-NE1 3.27Å; F1124-W1185 VanDerWaalsContact CZ-NE1 3.27Å; N1129-W1185 WeakPolarHBondContact OD1-CH2 3.49Å; I1130-W1185 HydrophobicContact CB-CE3 4.08Å; I1130-W1185 HydrophobicContact CB-CZ3 4.02Å; I1130-W1185 HydrophobicContact CD1-CB 3.74Å; I1130-W1185 HydrophobicContact CD1-CD2 3.67Å; I1130-W1185 HydrophobicContact CD1-CE3 3.72Å; I1130-W1185 HydrophobicContact CD1-CG 3.7Å; I1130-W1185 HydrophobicContact CD1-CZ3 4.49Å; I1130-W1185 HydrophobicContact CG1-CD2 3.93Å; I1130-W1185 HydrophobicContact CG1-CE3 3.86Å; I1130-W1185 HydrophobicContact CG1-CG 4.39Å; I1130-W1185 HydrophobicContact CG1-CZ3 4.17Å; D1180-W1185 PolarHBondContact O-N 3.16Å; W1185-V1187 HydrophobicContact CB-CG2 3.86Å; W1185-V1187 PolarHBondContact O-N 3.03Å; W1185-V1187 VanDerWaalsContact O-N 3.12Å; W1185-P1281 HydrophobicContact CH2-CG 4.27Å; W1185-P1281 HydrophobicContact CZ3-CG 4.41Å
1186H79.4Confident87.6Confident10 Ų1014 Ų145%0.0467%0.068CC..  trans47.835.4-176.8-67.3111.7000114.3C1182 I1183 I1188 I1273 P1274C1182-H1186 PolarHBondContact O-CD2 3.37Å; C1182-H1186 VanDerWaalsContact O-CD2 3.28Å; I1183-H1186 PolarHBondContact O-CE1 3.09Å; I1183-H1186 PolarHBondContact O-ND1 2.68Å; I1183-H1186 PolarHBondContact O-NE2 3.45Å; H1186-I1188 PolarHBondContact O-N 3.47Å; H1186-I1273 VanDerWaalsContact CE1-CG2 3.45Å; H1186-I1273 WeakPolarHBondContact CE1-CG2 3.07Å; H1186-I1273 WeakPolarHBondContact NE2-CG2 3.26Å; H1186-P1274 PolarHBondContact CE1-O 3.03Å; H1186-P1274 PolarHBondContact ND1-O 3.31Å
1187V81.2Confident87.9Confident11 Ų1112 Ų127%0.0675%0.054CC..SBendtrans-56.2-37.6174.7-1700000110L1120 I1130 L1138 F1181 W1185L1120-V1187 HydrophobicContact CD2-CG1 3.77Å; I1130-V1187 HydrophobicContact CD1-CG2 3.25Å; L1138-V1187 HydrophobicContact CD1-CG1 3.73Å; F1181-V1187 HydrophobicContact CD1-CB 4.34Å; F1181-V1187 HydrophobicContact CD2-CB 4.24Å; F1181-V1187 HydrophobicContact CD2-CG2 3.84Å; F1181-V1187 HydrophobicContact CE1-CB 3.99Å; F1181-V1187 HydrophobicContact CE1-CG1 4.2Å; F1181-V1187 HydrophobicContact CE2-CB 3.89Å; F1181-V1187 HydrophobicContact CE2-CG1 3.87Å; F1181-V1187 HydrophobicContact CE2-CG2 3.78Å; F1181-V1187 HydrophobicContact CG-CB 4.46Å; F1181-V1187 HydrophobicContact CG-CG2 4.32Å; F1181-V1187 HydrophobicContact CZ-CB 3.76Å; F1181-V1187 HydrophobicContact CZ-CG1 3.59Å; F1181-V1187 HydrophobicContact CZ-CG2 4.19Å; F1181-V1187 PolarHBondContact O-N 3.44Å; W1185-V1187 HydrophobicContact CB-CG2 3.86Å; W1185-V1187 PolarHBondContact O-N 3.03Å; W1185-V1187 VanDerWaalsContact O-N 3.12Å
1188I85.7Confident88Confident6 Ų612.4 Ų12.43%0.0316%0.056CC..SBendtrans-137.3117.7170.6-52.9-179.2000106.4L1117 L1150 L1153 F1181 C1182 H1186 L1190 R1192L1117-I1188 HydrophobicContact CD1-CD1 3.39Å; L1117-I1188 HydrophobicContact CD1-CG1 4.36Å; L1117-I1188 HydrophobicContact CD2-CD1 3.96Å; L1117-I1188 HydrophobicContact CD2-CG1 4.38Å; L1117-I1188 HydrophobicContact CG-CD1 4.22Å; L1150-I1188 HydrophobicContact CD1-CD1 3.83Å; L1150-I1188 HydrophobicContact CD1-CG2 4.03Å; L1150-I1188 HydrophobicContact CD2-CG2 4.05Å; L1153-I1188 HydrophobicContact CD2-CD1 3.45Å; L1153-I1188 VanDerWaalsContact CD2-CD1 3.45Å; F1181-I1188 HydrophobicContact CE1-CD1 3.86Å; F1181-I1188 HydrophobicContact CE1-CG1 3.96Å; C1182-I1188 WeakPolarHBondContact CA-O 3.37Å; H1186-I1188 PolarHBondContact O-N 3.47Å; I1188-L1190 PolarHBondContact O-N 3.48Å; I1188-R1192 HydrophobicContact CG2-CB 3.91Å
1189P86.8Confident88Confident13 Ų1312.4 Ų12.48%0.0846%0.056CC..  trans-54.1139177.3-2835.5000112Y841 D1191 R1192 F1193Y841-P1189 HydrophobicContact CE2-CG 4.45Å; P1189-D1191 WeakPolarHBondContact CB-OD1 3.28Å; P1189-D1191 PolarHBondContact O-N 3.11Å; P1189-D1191 VanDerWaalsContact O-N 3.15Å; P1189-R1192 HydrophobicContact CB-CG 4.23Å; P1189-R1192 HydrophobicContact CG-CG 4.4Å; P1189-R1192 WeakPolarHBondContact O-CA 3.26Å; P1189-R1192 WeakPolarHBondContact O-CB 3.47Å; P1189-R1192 PolarHBondContact O-N 3.41Å; P1189-F1193 PolarHBondContact O-N 3.33Å
1190L91.4Very high87.8Confident0 Ų012.5 Ų12.50%06%0.055CC..Hα-helixtrans-56.6-33.9-177.3176.362.8000113C1182 I1183 I1188 R1192 F1193 L1194 L1218 I1225 L1311 L1315C1182-L1190 HydrophobicContact CB-CB 4.38Å; C1182-L1190 HydrophobicContact CB-CD1 4.4Å; I1183-L1190 HydrophobicContact CD1-CD2 4.28Å; I1183-L1190 HydrophobicContact CG1-CB 4.38Å; I1183-L1190 HydrophobicContact CG1-CD2 4.26Å; I1188-L1190 PolarHBondContact O-N 3.48Å; L1190-R1192 VanDerWaalsContact C-N 3.3Å; L1190-R1192 PolarHBondContact O-N 3.48Å; L1190-F1193 HydrophobicContact CD1-CD1 4.28Å; L1190-F1193 PolarHBondContact O-N 3.26Å; L1190-L1194 HydrophobicContact CD1-CD1 3.94Å; L1190-L1194 HydrophobicContact CD1-CD2 4.43Å; L1190-L1194 HydrophobicContact CD1-CG 3.82Å; L1190-L1194 HydrophobicContact CD2-CD1 4.39Å; L1190-L1194 HydrophobicContact CG-CD1 3.86Å; L1190-L1194 HydrophobicContact CG-CG 4.2Å; L1190-L1194 WeakPolarHBondContact O-CB 3.42Å; L1190-L1194 WeakPolarHBondContact O-CG 3.45Å; L1190-L1194 PolarHBondContact O-N 3.48Å; L1190-L1218 HydrophobicContact CD1-CD1 3.97Å; L1190-I1225 HydrophobicContact CD2-CD1 3.35Å; L1190-L1311 HydrophobicContact CB-CD1 4.29Å; L1190-L1311 HydrophobicContact CB-CD2 4.28Å; L1190-L1315 HydrophobicContact CD2-CD1 4.14Å; L1190-L1315 HydrophobicContact CD2-CD2 4.22Å; L1190-L1315 HydrophobicContact CG-CD2 4.09Å
1191D91.1Very high87.5Confident7 Ų711.3 Ų11.34%0.0375%0.049CC..Hα-helixtrans-65-32.8175.360.9-54.7000112.6P1189 L1195 L1311 R1314 L1315 L1318P1189-D1191 WeakPolarHBondContact CB-OD1 3.28Å; P1189-D1191 PolarHBondContact O-N 3.11Å; P1189-D1191 VanDerWaalsContact O-N 3.15Å; D1191-L1195 VanDerWaalsContact O-CB 3.3Å; D1191-L1195 WeakPolarHBondContact O-CB 3.3Å; D1191-L1195 PolarHBondContact O-N 3.45Å; D1191-L1195 VanDerWaalsContact O-N 3.1Å; D1191-L1311 HydrophobicContact CB-CD1 4.12Å; D1191-L1311 VanDerWaalsContact OD1-CD1 3.24Å; D1191-L1311 WeakPolarHBondContact OD1-CD1 3.5Å; D1191-R1314 HydrophobicContact CB-CB 4.28Å; D1191-R1314 IonicContact OD1-CZ 2.66Å; D1191-R1314 IonicContact OD1-NE 2.7Å; D1191-R1314 IonicContact OD1-NH2 2.7Å; D1191-R1314 PolarHBondContact OD1-NH2 2.81Å; D1191-R1314 VanDerWaalsContact OD1-NH2 3.13Å; D1191-R1314 IonicContact OD2-CZ 2.68Å; D1191-R1314 IonicContact OD2-NE 3.17Å; D1191-R1314 PolarHBondContact OD2-NE 3.39Å; D1191-R1314 IonicContact OD2-NH2 2.76Å; D1191-L1315 HydrophobicContact CB-CD2 4.08Å; D1191-L1318 HydrophobicContact CB-CD1 3.79Å; D1191-L1318 WeakPolarHBondContact O-CD1 3.45Å
1192R89.8Confident87.2Confident4 Ų413.1 Ų13.12%0.0156%0.056CC..Hα-helixtrans-70.4-46.5171.3-66.1-75.6145171.1-6111.1Y841 D844 L1150 I1188 P1189 L1190 L1194 L1195 F1196Y841-R1192 VanDerWaalsContact CD1-CZ 3.49Å; Y841-R1192 HydrophobicContact CD2-CG 4.29Å; Y841-R1192 HydrophobicContact CE2-CG 4.05Å; Y841-R1192 PolarHBondContact O-NH2 3.07Å; D844-R1192 IonicContact OD2-CZ 3.69Å; D844-R1192 IonicContact OD2-NH1 2.79Å; D844-R1192 PolarHBondContact OD2-NH1 3.18Å; D844-R1192 IonicContact OD2-NH2 3.72Å; L1150-R1192 HydrophobicContact CD2-CB 4.24Å; I1188-R1192 HydrophobicContact CG2-CB 3.91Å; P1189-R1192 HydrophobicContact CB-CG 4.23Å; P1189-R1192 HydrophobicContact CG-CG 4.4Å; P1189-R1192 WeakPolarHBondContact O-CA 3.26Å; P1189-R1192 WeakPolarHBondContact O-CB 3.47Å; P1189-R1192 PolarHBondContact O-N 3.41Å; L1190-R1192 VanDerWaalsContact C-N 3.3Å; L1190-R1192 PolarHBondContact O-N 3.48Å; R1192-L1194 PolarHBondContact O-N 3.23Å; R1192-L1195 PolarHBondContact O-N 3.39Å; R1192-F1196 VanDerWaalsContact O-CD2 3.3Å; R1192-F1196 WeakPolarHBondContact O-CD2 3.17Å; R1192-F1196 PolarHBondContact O-N 2.85Å; R1192-F1196 VanDerWaalsContact O-N 3.16Å
1193F93.1Very high87Confident0 Ų013.7 Ų13.70%06%0.058CC..Hα-helixtrans-59.1-47.3178.8179.4-107000111.9L1150 I1157 L1178 P1189 L1190 F1196 L1197 I1214 L1218L1150-F1193 HydrophobicContact CD1-CD2 4.22Å; I1157-F1193 HydrophobicContact CD1-CE2 3.6Å; I1157-F1193 HydrophobicContact CD1-CZ 3.88Å; L1178-F1193 HydrophobicContact CD1-CE1 4.25Å; L1178-F1193 HydrophobicContact CD1-CE2 4.28Å; L1178-F1193 HydrophobicContact CD1-CZ 4.01Å; L1178-F1193 HydrophobicContact CD2-CE1 4.03Å; L1178-F1193 HydrophobicContact CD2-CZ 3.99Å; L1178-F1193 HydrophobicContact CG-CE1 4.49Å; P1189-F1193 PolarHBondContact O-N 3.33Å; L1190-F1193 HydrophobicContact CD1-CD1 4.28Å; L1190-F1193 PolarHBondContact O-N 3.26Å; F1193-F1196 PolarHBondContact O-N 3.37Å; F1193-L1197 HydrophobicContact CE1-CD2 3.93Å; F1193-L1197 HydrophobicContact CZ-CD1 4.34Å; F1193-L1197 HydrophobicContact CZ-CD2 4.3Å; F1193-L1197 VanDerWaalsContact O-CB 3.27Å; F1193-L1197 WeakPolarHBondContact O-CB 3.36Å; F1193-L1197 PolarHBondContact O-N 2.94Å; F1193-I1214 HydrophobicContact CE1-CG2 4.25Å; F1193-L1218 HydrophobicContact CD1-CD1 4.41Å; F1193-L1218 HydrophobicContact CE1-CD1 4.17Å
1194L93.4Very high86.6Confident2 Ų217.3 Ų17.31%0.018%0.075CC..Hα-helixtrans-66.9-40178.8-70.3173.5000113L1190 R1192 F1196 L1197 L1198 I1215 F1219 L1315 L1318L1190-L1194 HydrophobicContact CD1-CD1 3.94Å; L1190-L1194 HydrophobicContact CD1-CD2 4.43Å; L1190-L1194 HydrophobicContact CD1-CG 3.82Å; L1190-L1194 HydrophobicContact CD2-CD1 4.39Å; L1190-L1194 HydrophobicContact CG-CD1 3.86Å; L1190-L1194 HydrophobicContact CG-CG 4.2Å; L1190-L1194 WeakPolarHBondContact O-CB 3.42Å; L1190-L1194 WeakPolarHBondContact O-CG 3.45Å; L1190-L1194 PolarHBondContact O-N 3.48Å; R1192-L1194 PolarHBondContact O-N 3.23Å; L1194-F1196 VanDerWaalsContact C-N 3.3Å; L1194-F1196 PolarHBondContact O-N 3.47Å; L1194-L1197 HydrophobicContact CD2-CD2 4.32Å; L1194-L1197 PolarHBondContact O-N 3.45Å; L1194-L1198 WeakPolarHBondContact O-CB 3.45Å; L1194-L1198 VanDerWaalsContact O-CG 3.24Å; L1194-L1198 WeakPolarHBondContact O-CG 3.34Å; L1194-L1198 PolarHBondContact O-N 3.45Å; L1194-L1198 VanDerWaalsContact O-N 3.07Å; L1194-I1215 HydrophobicContact CD2-CG1 4.05Å; L1194-F1219 HydrophobicContact CD1-CE2 3.9Å; L1194-F1219 HydrophobicContact CD1-CZ 4.09Å; L1194-L1315 HydrophobicContact CD1-CD2 3.75Å; L1194-L1318 HydrophobicContact CB-CD1 4.15Å
1195L93.3Very high86.5Confident3 Ų320 Ų202%0.0169%0.092CC..Hα-helixtrans-56.2-46.6175.1174.464.8000111.2I848 E982 V983 F986 D1191 R1192 M1199 L1318I848-L1195 HydrophobicContact CD1-CD1 4.07Å; I848-L1195 HydrophobicContact CD1-CD2 3.7Å; E982-L1195 HydrophobicContact CB-CG 4.42Å; V983-L1195 HydrophobicContact CG2-CD2 4.44Å; F986-L1195 HydrophobicContact CB-CD1 4.3Å; F986-L1195 HydrophobicContact CD2-CD1 3.77Å; F986-L1195 HydrophobicContact CG-CD1 4.31Å; D1191-L1195 VanDerWaalsContact O-CB 3.3Å; D1191-L1195 WeakPolarHBondContact O-CB 3.3Å; D1191-L1195 PolarHBondContact O-N 3.45Å; D1191-L1195 VanDerWaalsContact O-N 3.1Å; R1192-L1195 PolarHBondContact O-N 3.39Å; L1195-M1199 HydrophobicContact CD1-CG 4.03Å; L1195-M1199 VanDerWaalsContact O-CB 3.27Å; L1195-M1199 WeakPolarHBondContact O-CB 3.34Å; L1195-M1199 WeakPolarHBondContact O-CG 3.3Å; L1195-M1199 PolarHBondContact O-N 3.17Å; L1195-L1318 HydrophobicContact CB-CD2 4.23Å; L1195-L1318 HydrophobicContact CD1-CD2 4.26Å
1196F92.7Very high86.8Confident4 Ų421.5 Ų21.52%0.01811%0.108CC..Hα-helixtrans-69.7-49.1179.6-82.1-111.7000111E982 N1147 L1150 R1151 R1192 F1193 L1194 L1198 M1199 H1200E982-F1196 HydrophobicContact CB-CE2 4.25Å; E982-F1196 HydrophobicContact CB-CZ 4.27Å; E982-F1196 HydrophobicContact CG-CD1 3.73Å; E982-F1196 HydrophobicContact CG-CD2 4.1Å; E982-F1196 HydrophobicContact CG-CE1 3.64Å; E982-F1196 HydrophobicContact CG-CE2 4.04Å; E982-F1196 HydrophobicContact CG-CG 3.95Å; E982-F1196 HydrophobicContact CG-CZ 3.8Å; E982-F1196 WeakPolarHBondContact OE2-CE1 3.24Å; N1147-F1196 HydrophobicContact CB-CE1 4.04Å; N1147-F1196 HydrophobicContact CB-CZ 3.79Å; N1147-F1196 VanDerWaalsContact O-CE1 3.31Å; N1147-F1196 WeakPolarHBondContact O-CE1 3.06Å; L1150-F1196 HydrophobicContact CB-CD1 4.09Å; L1150-F1196 HydrophobicContact CB-CE1 4.29Å; L1150-F1196 HydrophobicContact CB-CG 4.46Å; L1150-F1196 HydrophobicContact CD2-CB 4.08Å; L1150-F1196 HydrophobicContact CD2-CD1 3.92Å; L1150-F1196 HydrophobicContact CD2-CD2 3.42Å; L1150-F1196 VanDerWaalsContact CD2-CD2 3.42Å; L1150-F1196 HydrophobicContact CD2-CE1 4.24Å; L1150-F1196 HydrophobicContact CD2-CE2 3.78Å; L1150-F1196 HydrophobicContact CD2-CG 3.51Å; L1150-F1196 HydrophobicContact CD2-CZ 4.18Å; L1150-F1196 HydrophobicContact CG-CB 3.89Å; L1150-F1196 HydrophobicContact CG-CD1 3.7Å; L1150-F1196 HydrophobicContact CG-CD2 4.07Å; L1150-F1196 HydrophobicContact CG-CE1 4.27Å; L1150-F1196 HydrophobicContact CG-CG 3.59Å; R1151-F1196 HydrophobicContact CG-CD1 3.84Å; R1151-F1196 HydrophobicContact CG-CE1 3.99Å; R1192-F1196 VanDerWaalsContact O-CD2 3.3Å; R1192-F1196 WeakPolarHBondContact O-CD2 3.17Å; R1192-F1196 PolarHBondContact O-N 2.85Å; R1192-F1196 VanDerWaalsContact O-N 3.16Å; F1193-F1196 PolarHBondContact O-N 3.37Å; L1194-F1196 VanDerWaalsContact C-N 3.3Å; L1194-F1196 PolarHBondContact O-N 3.47Å; F1196-L1198 PolarHBondContact O-N 3.43Å; F1196-M1199 PolarHBondContact O-N 3.26Å; F1196-M1199 VanDerWaalsContact O-N 3.11Å; F1196-H1200 VanDerWaalsContact O-CB 3.29Å; F1196-H1200 WeakPolarHBondContact O-CB 3.33Å; F1196-H1200 PolarHBondContact O-CD2 2.98Å; F1196-H1200 PolarHBondContact O-N 2.86Å
1197L92.7Very high87Confident2 Ų221.5 Ų21.51%0.0111%0.107CC..Hα-helixtrans-51.8-34178.6-171.668.1000113.1C1154 V1158 F1193 L1194 Y1203 V1211 I1214 I1215C1154-L1197 HydrophobicContact CB-CD1 4.41Å; V1158-L1197 HydrophobicContact CG2-CD1 3.74Å; F1193-L1197 HydrophobicContact CE1-CD2 3.93Å; F1193-L1197 HydrophobicContact CZ-CD1 4.34Å; F1193-L1197 HydrophobicContact CZ-CD2 4.3Å; F1193-L1197 VanDerWaalsContact O-CB 3.27Å; F1193-L1197 WeakPolarHBondContact O-CB 3.36Å; F1193-L1197 PolarHBondContact O-N 2.94Å; L1194-L1197 HydrophobicContact CD2-CD2 4.32Å; L1194-L1197 PolarHBondContact O-N 3.45Å; L1197-Y1203 HydrophobicContact CD1-CE2 4.39Å; L1197-V1211 HydrophobicContact CD1-CG1 4.48Å; L1197-V1211 HydrophobicContact CD1-CG2 4.11Å; L1197-V1211 HydrophobicContact CD2-CG1 4.07Å; L1197-V1211 HydrophobicContact CG-CG1 3.98Å; L1197-V1211 HydrophobicContact CG-CG2 4.48Å; L1197-I1214 HydrophobicContact CD2-CG2 4.24Å; L1197-I1215 HydrophobicContact CD2-CG1 4.22Å
1198L91.6Very high87.2Confident7 Ų722 Ų224%0.03711%0.11CC..Hα-helixtrans-88.3-35.4178.7-62.6169.2000113.9L1194 F1196 I1215 V1321 V1322L1194-L1198 WeakPolarHBondContact O-CB 3.45Å; L1194-L1198 VanDerWaalsContact O-CG 3.24Å; L1194-L1198 WeakPolarHBondContact O-CG 3.34Å; L1194-L1198 PolarHBondContact O-N 3.45Å; L1194-L1198 VanDerWaalsContact O-N 3.07Å; F1196-L1198 PolarHBondContact O-N 3.43Å; L1198-I1215 HydrophobicContact CD2-CD1 4.15Å; L1198-V1321 HydrophobicContact CD1-CB 4.32Å; L1198-V1321 HydrophobicContact CD1-CG1 4.16Å; L1198-V1322 HydrophobicContact CD1-CG2 3.96Å
1199M90.7Very high87.2Confident1 Ų124.2 Ų24.21%0.00512%0.122CC..Hα-helixtrans-107.9-8.7-166.4-62.8-68.411200115.9E982 R985 F986 P1030 L1032 L1195 F1196 V1321E982-M1199 HydrophobicContact CB-CB 4.36Å; E982-M1199 HydrophobicContact CG-CB 4.49Å; R985-M1199 WeakPolarHBondContact CD-O 3.31Å; R985-M1199 PolarHBondContact NH1-O 3.29Å; F986-M1199 HydrophobicContact CB-CG 4.32Å; F986-M1199 HydrophobicContact CB-SD 4.23Å; F986-M1199 HydrophobicContact CD2-CG 4.25Å; F986-M1199 HydrophobicContact CD2-SD 4.28Å; P1030-M1199 VanDerWaalsContact CG-C 3.42Å; P1030-M1199 WeakPolarHBondContact CG-O 3.42Å; L1032-M1199 HydrophobicContact CD1-CE 3.63Å; L1195-M1199 HydrophobicContact CD1-CG 4.03Å; L1195-M1199 VanDerWaalsContact O-CB 3.27Å; L1195-M1199 WeakPolarHBondContact O-CB 3.34Å; L1195-M1199 WeakPolarHBondContact O-CG 3.3Å; L1195-M1199 PolarHBondContact O-N 3.17Å; F1196-M1199 PolarHBondContact O-N 3.26Å; F1196-M1199 VanDerWaalsContact O-N 3.11Å; M1199-V1321 HydrophobicContact CE-CG1 3.83Å
1200H84.7Confident87.2Confident12 Ų1224.2 Ų24.26%0.05612%0.121CC..SBendtrans-91.1-24.3-168.599.494.8000115.8E982 R985 R1151 D1155 F1196 Y1203E982-H1200 HydrophobicContact CG-CB 4.28Å; R985-H1200 PolarHBondContact NH1-O 2.64Å; R1151-H1200 HydrophobicContact CG-CB 4.19Å; R1151-H1200 PolarHBondContact O-CE1 2.54Å; D1155-H1200 VanDerWaalsContact CG-CE1 3.42Å; D1155-H1200 IonicContact OD1-CE1 3.11Å; D1155-H1200 PolarHBondContact OD1-CE1 2.88Å; D1155-H1200 IonicContact OD1-NE2 3.14Å; D1155-H1200 PolarHBondContact OD1-NE2 3.35Å; D1155-H1200 VanDerWaalsContact OD1-NE2 3.14Å; D1155-H1200 IonicContact OD2-CE1 3.54Å; F1196-H1200 VanDerWaalsContact O-CB 3.29Å; F1196-H1200 WeakPolarHBondContact O-CB 3.33Å; F1196-H1200 PolarHBondContact O-CD2 2.98Å; F1196-H1200 PolarHBondContact O-N 2.86Å; H1200-Y1203 AromaticContact NE2-CZ 3.75Å; H1200-Y1203 PolarHBondContact NE2-OH 3.37Å
1201T80.9Confident87.2Confident4 Ų424.3 Ų24.33%0.02512%0.122CC..  trans-155.5166.3-178.2-170.70000113.2D1028 K1081 Y1203D1028-T1201 VanDerWaalsContact CG-OG1 3.26Å; D1028-T1201 PolarHBondContact OD1-OG1 3.44Å; D1028-T1201 WeakPolarHBondContact OD2-CB 3.05Å; D1028-T1201 PolarHBondContact OD2-OG1 3.27Å; K1081-T1201 WeakPolarHBondContact CE-OG1 3.33Å; K1081-T1201 PolarHBondContact NZ-OG1 3.37Å; T1201-Y1203 HydrophobicContact CG2-CD1 3.93Å; T1201-Y1203 HydrophobicContact CG2-CD2 3.93Å; T1201-Y1203 HydrophobicContact CG2-CE1 3.51Å; T1201-Y1203 HydrophobicContact CG2-CE2 3.54Å; T1201-Y1203 HydrophobicContact CG2-CG 4.12Å
1202R81.9Confident87.1Confident38 Ų3824.3 Ų24.314%0.14312%0.122CC..  trans-91.988171.5-164.9177.4179-174.41.1111.9D1028 L1029 Q1031D1028-R1202 WeakPolarHBondContact OD1-CB 3.4Å; D1028-R1202 PolarHBondContact OD1-N 2.85Å; L1029-R1202 WeakPolarHBondContact O-CB 3.26Å; Q1031-R1202 HydrophobicContact CB-CG 4.49Å
1203Y83.5Confident87Confident13 Ų1326.8 Ų26.85%0.05113%0.131CC..  trans-64.6142.1169.1-66.3-59.2000112.3D1155 V1158 L1197 H1200 T1201 Q1207 V1211D1155-Y1203 WeakPolarHBondContact OD1-CE1 3.48Å; D1155-Y1203 PolarHBondContact OD1-OH 3.21Å; V1158-Y1203 HydrophobicContact CB-CE1 3.99Å; V1158-Y1203 HydrophobicContact CG1-CD1 3.93Å; V1158-Y1203 HydrophobicContact CG1-CE1 3.77Å; V1158-Y1203 HydrophobicContact CG2-CE1 4.13Å; V1158-Y1203 HydrophobicContact CG2-CE2 4.25Å; L1197-Y1203 HydrophobicContact CD1-CE2 4.39Å; H1200-Y1203 AromaticContact NE2-CZ 3.75Å; H1200-Y1203 PolarHBondContact NE2-OH 3.37Å; T1201-Y1203 HydrophobicContact CG2-CD1 3.93Å; T1201-Y1203 HydrophobicContact CG2-CD2 3.93Å; T1201-Y1203 HydrophobicContact CG2-CE1 3.51Å; T1201-Y1203 HydrophobicContact CG2-CE2 3.54Å; T1201-Y1203 HydrophobicContact CG2-CG 4.12Å; Y1203-Q1207 HydrophobicContact CD1-CB 3.96Å; Y1203-Q1207 HydrophobicContact CG-CB 4.31Å; Y1203-V1211 HydrophobicContact CD2-CG2 3.64Å; Y1203-V1211 HydrophobicContact CE2-CG2 3.89Å; Y1203-V1211 HydrophobicContact CG-CG2 4.14Å
1204Q76.8Confident86.9Confident75 Ų7526.9 Ų26.935%0.3513%0.131SC..  trans-114.6137.9179.9-69.8-167.3-20.400113.1Y1078 S1206 Q1207Y1078-Q1204 HydrophobicContact CE2-CG 4.49Å; Y1078-Q1204 PolarHBondContact OH-NE2 2.95Å; Y1078-Q1204 PolarHBondContact OH-OE1 3.49Å; Q1204-S1206 PolarHBondContact O-N 3.33Å; Q1204-Q1207 WeakPolarHBondContact O-CB 3.45Å; Q1204-Q1207 PolarHBondContact O-N 3.23Å
1205H79.6Confident86.9Confident177 Ų17726.8 Ų26.882%0.81913%0.131SC*.THydrogen-bonded Turntrans42-98.9167.5-147.280.5000114.6Q1207 L1208 L1209H1205-Q1207 VanDerWaalsContact C-N 3.34Å; H1205-Q1207 PolarHBondContact O-N 3.3Å; H1205-L1208 PolarHBondContact O-N 2.88Å; H1205-L1209 PolarHBondContact O-N 3.43Å
1206S81.6Confident86.8Confident63 Ų6326.7 Ų26.744%0.44113%0.13SC..Hα-helixtrans-63-33.6179.655.70000114Q1204 T1210Q1204-S1206 PolarHBondContact O-N 3.33Å; S1206-T1210 WeakPolarHBondContact O-CB 3.38Å; S1206-T1210 PolarHBondContact O-N 2.9Å; S1206-T1210 PolarHBondContact O-OG1 3.16Å
1207Q85.1Confident86.7Confident9 Ų927.1 Ų27.14%0.04213%0.132CC..Hα-helixtrans-67.5-42.2176.1-59.5163.21.200110.7L1085 V1158 T1162 Y1203 Q1204 H1205 T1210 V1211L1085-Q1207 VanDerWaalsContact CD1-NE2 3.33Å; V1158-Q1207 HydrophobicContact CG1-CB 3.94Å; V1158-Q1207 HydrophobicContact CG1-CG 4.47Å; T1162-Q1207 HydrophobicContact CG2-CG 4.29Å; Y1203-Q1207 HydrophobicContact CD1-CB 3.96Å; Y1203-Q1207 HydrophobicContact CG-CB 4.31Å; Q1204-Q1207 WeakPolarHBondContact O-CB 3.45Å; Q1204-Q1207 PolarHBondContact O-N 3.23Å; H1205-Q1207 VanDerWaalsContact C-N 3.34Å; H1205-Q1207 PolarHBondContact O-N 3.3Å; Q1207-T1210 CarbonylContact O-C 3.36Å; Q1207-T1210 WeakPolarHBondContact O-CA 3.34Å; Q1207-T1210 VanDerWaalsContact O-CB 3.26Å; Q1207-T1210 WeakPolarHBondContact O-CB 3.45Å; Q1207-T1210 PolarHBondContact O-N 3.13Å; Q1207-T1210 VanDerWaalsContact O-N 3.16Å; Q1207-V1211 WeakPolarHBondContact O-CG2 3.43Å; Q1207-V1211 PolarHBondContact O-N 2.96Å
1208L84.7Confident86.6Confident21 Ų2127 Ų2711%0.1113%0.132CC..Hα-helixtrans-68.4-39178-174.765.8000111.5H1205 T1210 V1211 N1212 Q1325 C1329H1205-L1208 PolarHBondContact O-N 2.88Å; L1208-T1210 VanDerWaalsContact C-N 3.25Å; L1208-T1210 PolarHBondContact O-N 3.43Å; L1208-V1211 PolarHBondContact O-N 3.19Å; L1208-N1212 VanDerWaalsContact O-CG 3.32Å; L1208-N1212 PolarHBondContact O-N 2.75Å; L1208-N1212 PolarHBondContact O-ND2 2.94Å; L1208-Q1325 HydrophobicContact CD1-CG 4.43Å; L1208-C1329 WeakPolarHBondContact CD2-SG 3.42Å
1209L85Confident86.5Confident54 Ų5426.7 Ų26.728%0.28313%0.13SC..Hα-helixtrans-61.5-36.8171.5-150.5115.5000111.1H1205 N1212 R1213H1205-L1209 PolarHBondContact O-N 3.43Å; L1209-N1212 PolarHBondContact O-N 3.19Å; L1209-R1213 VanDerWaalsContact CD2-NH2 3.26Å; L1209-R1213 VanDerWaalsContact O-CG 3.31Å; L1209-R1213 WeakPolarHBondContact O-CG 3.38Å; L1209-R1213 PolarHBondContact O-N 3.15Å
1210T87.5Confident86.4Confident13 Ų1327.9 Ų27.98%0.0814%0.137CC..Hα-helixtrans-65.5-45172.4-560000111.9L1161 T1162 S1206 Q1207 L1208 N1212 R1213 I1214L1161-T1210 HydrophobicContact CB-CG2 3.41Å; L1161-T1210 VanDerWaalsContact CB-CG2 3.41Å; T1162-T1210 WeakPolarHBondContact OG1-CB 3.37Å; T1162-T1210 PolarHBondContact OG1-OG1 3.31Å; S1206-T1210 WeakPolarHBondContact O-CB 3.38Å; S1206-T1210 PolarHBondContact O-N 2.9Å; S1206-T1210 PolarHBondContact O-OG1 3.16Å; Q1207-T1210 CarbonylContact O-C 3.36Å; Q1207-T1210 WeakPolarHBondContact O-CA 3.34Å; Q1207-T1210 VanDerWaalsContact O-CB 3.26Å; Q1207-T1210 WeakPolarHBondContact O-CB 3.45Å; Q1207-T1210 PolarHBondContact O-N 3.13Å; Q1207-T1210 VanDerWaalsContact O-N 3.16Å; L1208-T1210 VanDerWaalsContact C-N 3.25Å; L1208-T1210 PolarHBondContact O-N 3.43Å; T1210-N1212 VanDerWaalsContact C-N 3.33Å; T1210-N1212 PolarHBondContact O-N 3.02Å; T1210-R1213 PolarHBondContact O-N 2.94Å; T1210-I1214 HydrophobicContact CG2-CD1 4.13Å; T1210-I1214 WeakPolarHBondContact O-CG1 3.49Å; T1210-I1214 PolarHBondContact O-N 2.78Å
1211V90.6Very high86.4Confident1 Ų129.9 Ų29.91%0.00615%0.147CC..Hα-helixtrans-57.5-45.5174170.80000111.2V1158 L1197 Y1203 Q1207 L1208 R1213 I1214 I1215V1158-V1211 HydrophobicContact CG1-CG2 4.3Å; V1158-V1211 HydrophobicContact CG2-CG2 3.69Å; L1197-V1211 HydrophobicContact CD1-CG1 4.48Å; L1197-V1211 HydrophobicContact CD1-CG2 4.11Å; L1197-V1211 HydrophobicContact CD2-CG1 4.07Å; L1197-V1211 HydrophobicContact CG-CG1 3.98Å; L1197-V1211 HydrophobicContact CG-CG2 4.48Å; Y1203-V1211 HydrophobicContact CD2-CG2 3.64Å; Y1203-V1211 HydrophobicContact CE2-CG2 3.89Å; Y1203-V1211 HydrophobicContact CG-CG2 4.14Å; Q1207-V1211 WeakPolarHBondContact O-CG2 3.43Å; Q1207-V1211 PolarHBondContact O-N 2.96Å; L1208-V1211 PolarHBondContact O-N 3.19Å; V1211-R1213 PolarHBondContact O-N 3.07Å; V1211-I1214 PolarHBondContact O-N 3.41Å; V1211-I1215 HydrophobicContact CG1-CD1 3.81Å; V1211-I1215 WeakPolarHBondContact O-CG1 3.5Å; V1211-I1215 PolarHBondContact O-N 3.1Å
1212N89.9Confident86.7Confident7 Ų729.8 Ų29.84%0.03715%0.146CC..Hα-helixtrans-62.2-41.3177.1-66.7-22.7000111.6L1208 L1209 T1210 I1215 V1216 Q1325 F1326 V1331L1208-N1212 VanDerWaalsContact O-CG 3.32Å; L1208-N1212 PolarHBondContact O-N 2.75Å; L1208-N1212 PolarHBondContact O-ND2 2.94Å; L1209-N1212 PolarHBondContact O-N 3.19Å; T1210-N1212 VanDerWaalsContact C-N 3.33Å; T1210-N1212 PolarHBondContact O-N 3.02Å; N1212-I1215 PolarHBondContact O-N 2.88Å; N1212-V1216 VanDerWaalsContact O-CG2 3.3Å; N1212-V1216 WeakPolarHBondContact O-CG2 3.38Å; N1212-V1216 PolarHBondContact O-N 2.82Å; N1212-Q1325 PolarHBondContact OD1-NE2 2.83Å; N1212-F1326 HydrophobicContact CB-CE1 4.1Å; N1212-F1326 WeakPolarHBondContact OD1-CE1 3.49Å; N1212-V1331 HydrophobicContact CB-CG2 4.32Å; N1212-V1331 WeakPolarHBondContact ND2-CG2 3.37Å
1213R88.3Confident86.8Confident57 Ų5734.3 Ų34.322%0.21517%0.173CC..Hα-helixtrans-63-42.6173.9-69.7171.9-168.8-157.91112.8L1209 T1210 V1211 I1215 V1216 Y1217 L1335 L1501 L1502L1209-R1213 VanDerWaalsContact CD2-NH2 3.26Å; L1209-R1213 VanDerWaalsContact O-CG 3.31Å; L1209-R1213 WeakPolarHBondContact O-CG 3.38Å; L1209-R1213 PolarHBondContact O-N 3.15Å; T1210-R1213 PolarHBondContact O-N 2.94Å; V1211-R1213 PolarHBondContact O-N 3.07Å; R1213-I1215 VanDerWaalsContact C-N 3.34Å; R1213-I1215 PolarHBondContact O-N 3.1Å; R1213-V1216 PolarHBondContact O-N 3.41Å; R1213-Y1217 WeakPolarHBondContact O-CB 3.36Å; R1213-Y1217 PolarHBondContact O-N 3.25Å; R1213-L1335 HydrophobicContact CG-CD1 4.39Å; R1213-L1501 HydrophobicContact CB-CD2 4.49Å; R1213-L1501 WeakPolarHBondContact CD-O 3.46Å; R1213-L1502 VanDerWaalsContact CZ-O 3.29Å; R1213-L1502 PolarHBondContact NH1-O 3.02Å; R1213-L1502 PolarHBondContact NH2-O 3.41Å
1214I90.9Very high86.9Confident1 Ų136.1 Ų36.11%0.00518%0.182CC..Hα-helixtrans-57.4-48.7175.3-69.3161.4000110.1I1157 V1158 L1161 L1175 L1178 F1193 L1197 T1210 V1211 Y1217 L1218I1157-I1214 HydrophobicContact CG2-CD1 3.93Å; V1158-I1214 HydrophobicContact CG2-CD1 4.09Å; L1161-I1214 HydrophobicContact CD1-CD1 3.79Å; L1161-I1214 HydrophobicContact CD1-CG1 3.62Å; L1175-I1214 HydrophobicContact CD2-CG1 3.98Å; L1178-I1214 HydrophobicContact CD2-CG2 3.83Å; F1193-I1214 HydrophobicContact CE1-CG2 4.25Å; L1197-I1214 HydrophobicContact CD2-CG2 4.24Å; T1210-I1214 HydrophobicContact CG2-CD1 4.13Å; T1210-I1214 WeakPolarHBondContact O-CG1 3.49Å; T1210-I1214 PolarHBondContact O-N 2.78Å; V1211-I1214 PolarHBondContact O-N 3.41Å; I1214-Y1217 PolarHBondContact O-N 3.07Å; I1214-L1218 HydrophobicContact CG2-CD1 3.7Å; I1214-L1218 HydrophobicContact CG2-CG 4.4Å; I1214-L1218 WeakPolarHBondContact O-CB 3.26Å; I1214-L1218 VanDerWaalsContact O-CG 3.27Å; I1214-L1218 WeakPolarHBondContact O-CG 3.46Å; I1214-L1218 PolarHBondContact O-N 3.15Å
1215I92.1Very high87.5Confident0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-63.4-46.9-179.6-65.3162.8000110.9L1194 L1197 L1198 V1211 N1212 R1213 Y1217 L1218 F1219 V1322 F1326 F1339L1194-I1215 HydrophobicContact CD2-CG1 4.05Å; L1197-I1215 HydrophobicContact CD2-CG1 4.22Å; L1198-I1215 HydrophobicContact CD2-CD1 4.15Å; V1211-I1215 HydrophobicContact CG1-CD1 3.81Å; V1211-I1215 WeakPolarHBondContact O-CG1 3.5Å; V1211-I1215 PolarHBondContact O-N 3.1Å; N1212-I1215 PolarHBondContact O-N 2.88Å; R1213-I1215 VanDerWaalsContact C-N 3.34Å; R1213-I1215 PolarHBondContact O-N 3.1Å; I1215-Y1217 VanDerWaalsContact C-N 3.34Å; I1215-Y1217 PolarHBondContact O-N 3.21Å; I1215-L1218 PolarHBondContact O-N 2.91Å; I1215-F1219 HydrophobicContact CG2-CD2 4.16Å; I1215-F1219 HydrophobicContact CG2-CE2 4.39Å; I1215-F1219 WeakPolarHBondContact O-CD2 3.42Å; I1215-F1219 PolarHBondContact O-N 3.12Å; I1215-V1322 HydrophobicContact CD1-CG2 4.29Å; I1215-V1322 HydrophobicContact CG2-CG1 3.68Å; I1215-V1322 HydrophobicContact CG2-CG2 4.23Å; I1215-F1326 HydrophobicContact CB-CZ 4.32Å; I1215-F1326 HydrophobicContact CD1-CE1 4.48Å; I1215-F1326 HydrophobicContact CG2-CE1 4.45Å; I1215-F1326 HydrophobicContact CG2-CZ 3.94Å; I1215-F1339 HydrophobicContact CG2-CE2 3.91Å; I1215-F1339 HydrophobicContact CG2-CZ 4.36Å
1216V91.4Very high87.9Confident1 Ų126.2 Ų26.21%0.00614%0.139CC..Hα-helixtrans-62.1-41.4178.31740000111.2N1212 R1213 T1220 F1326 L1335 F1339 L1501N1212-V1216 VanDerWaalsContact O-CG2 3.3Å; N1212-V1216 WeakPolarHBondContact O-CG2 3.38Å; N1212-V1216 PolarHBondContact O-N 2.82Å; R1213-V1216 PolarHBondContact O-N 3.41Å; V1216-T1220 HydrophobicContact CG1-CG2 4.22Å; V1216-T1220 WeakPolarHBondContact O-CB 3.34Å; V1216-T1220 VanDerWaalsContact O-CG2 3.3Å; V1216-T1220 WeakPolarHBondContact O-CG2 3.39Å; V1216-T1220 PolarHBondContact O-N 2.86Å; V1216-T1220 PolarHBondContact O-OG1 3.44Å; V1216-F1326 HydrophobicContact CG2-CE2 4.03Å; V1216-F1326 HydrophobicContact CG2-CZ 3.83Å; V1216-L1335 HydrophobicContact CG2-CB 4.3Å; V1216-F1339 HydrophobicContact CG1-CB 4.45Å; V1216-F1339 HydrophobicContact CG2-CB 4.19Å; V1216-F1339 HydrophobicContact CG2-CD2 4.34Å; V1216-F1339 HydrophobicContact CG2-CG 4.42Å; V1216-L1501 HydrophobicContact CG1-CD1 4.04Å
1217Y90.4Very high88.3Confident14 Ų1426.2 Ų26.26%0.05514%0.139CC..Hα-helixtrans-60.5-51.5175.3-175.2-83.7000111.6L1175 S1176 R1213 I1214 I1215 F1219 T1220 Q1221 M1498 L1501L1175-Y1217 VanDerWaalsContact C-CE1 3.41Å; L1175-Y1217 HydrophobicContact CB-CD1 3.75Å; L1175-Y1217 HydrophobicContact CB-CD2 3.98Å; L1175-Y1217 HydrophobicContact CB-CE1 3.57Å; L1175-Y1217 HydrophobicContact CB-CE2 3.8Å; L1175-Y1217 HydrophobicContact CB-CG 3.95Å; L1175-Y1217 HydrophobicContact CD1-CD2 3.81Å; L1175-Y1217 HydrophobicContact CD1-CE2 4.19Å; L1175-Y1217 HydrophobicContact CD1-CG 4.08Å; L1175-Y1217 HydrophobicContact CD2-CD1 4.41Å; L1175-Y1217 HydrophobicContact CD2-CG 4.3Å; L1175-Y1217 HydrophobicContact CG-CD2 4.42Å; L1175-Y1217 HydrophobicContact CG-CG 4.34Å; L1175-Y1217 WeakPolarHBondContact O-CE1 3.43Å; S1176-Y1217 WeakPolarHBondContact CA-OH 3.44Å; S1176-Y1217 WeakPolarHBondContact CB-OH 3.37Å; S1176-Y1217 PolarHBondContact N-OH 3.43Å; R1213-Y1217 WeakPolarHBondContact O-CB 3.36Å; R1213-Y1217 PolarHBondContact O-N 3.25Å; I1214-Y1217 PolarHBondContact O-N 3.07Å; I1215-Y1217 VanDerWaalsContact C-N 3.34Å; I1215-Y1217 PolarHBondContact O-N 3.21Å; Y1217-F1219 PolarHBondContact O-N 3.26Å; Y1217-T1220 PolarHBondContact O-N 3.14Å; Y1217-T1220 VanDerWaalsContact O-N 3.15Å; Y1217-Q1221 HydrophobicContact CD1-CB 4.22Å; Y1217-Q1221 HydrophobicContact CD2-CB 3.94Å; Y1217-Q1221 HydrophobicContact CD2-CG 3.65Å; Y1217-Q1221 HydrophobicContact CE1-CB 4.09Å; Y1217-Q1221 HydrophobicContact CE2-CB 3.83Å; Y1217-Q1221 HydrophobicContact CE2-CG 3.81Å; Y1217-Q1221 HydrophobicContact CG-CB 4.15Å; Y1217-Q1221 HydrophobicContact CG-CG 4.16Å; Y1217-Q1221 WeakPolarHBondContact O-CB 3.44Å; Y1217-Q1221 PolarHBondContact O-N 2.92Å; Y1217-M1498 HydrophobicContact CD2-SD 4.08Å; Y1217-M1498 HydrophobicContact CE2-CE 3.92Å; Y1217-M1498 HydrophobicContact CE2-SD 3.75Å; Y1217-L1501 HydrophobicContact CD2-CD1 4.34Å; Y1217-L1501 HydrophobicContact CD2-CD2 4.24Å
1218L90.9Very high88.5Confident0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-58.2-33.1-177.1-73167.3000113.4L1178 I1183 L1190 F1193 I1214 I1215 S1222L1178-L1218 HydrophobicContact CG-CD2 4.42Å; I1183-L1218 HydrophobicContact CD1-CD2 4.43Å; L1190-L1218 HydrophobicContact CD1-CD1 3.97Å; F1193-L1218 HydrophobicContact CD1-CD1 4.41Å; F1193-L1218 HydrophobicContact CE1-CD1 4.17Å; I1214-L1218 HydrophobicContact CG2-CD1 3.7Å; I1214-L1218 HydrophobicContact CG2-CG 4.4Å; I1214-L1218 WeakPolarHBondContact O-CB 3.26Å; I1214-L1218 VanDerWaalsContact O-CG 3.27Å; I1214-L1218 WeakPolarHBondContact O-CG 3.46Å; I1214-L1218 PolarHBondContact O-N 3.15Å; I1215-L1218 PolarHBondContact O-N 2.91Å; L1218-S1222 WeakPolarHBondContact O-CB 3.41Å
1219F90.8Very high88.7Confident0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-93.3-15.4178.6-77.7-82.5000115L1194 I1215 Y1217 I1225 L1315 L1319 F1339 A1342 I1343L1194-F1219 HydrophobicContact CD1-CE2 3.9Å; L1194-F1219 HydrophobicContact CD1-CZ 4.09Å; I1215-F1219 HydrophobicContact CG2-CD2 4.16Å; I1215-F1219 HydrophobicContact CG2-CE2 4.39Å; I1215-F1219 WeakPolarHBondContact O-CD2 3.42Å; I1215-F1219 PolarHBondContact O-N 3.12Å; Y1217-F1219 PolarHBondContact O-N 3.26Å; F1219-I1225 HydrophobicContact CD1-CG2 4.24Å; F1219-L1315 HydrophobicContact CE1-CD1 3.97Å; F1219-L1315 HydrophobicContact CZ-CD1 4.03Å; F1219-L1315 HydrophobicContact CZ-CD2 4.42Å; F1219-L1319 HydrophobicContact CE1-CD1 4.44Å; F1219-L1319 HydrophobicContact CE1-CD2 3.9Å; F1219-L1319 HydrophobicContact CE2-CD2 3.98Å; F1219-L1319 HydrophobicContact CZ-CD2 3.6Å; F1219-L1319 HydrophobicContact CZ-CG 4.28Å; F1219-F1339 HydrophobicContact CB-CD2 3.96Å; F1219-F1339 HydrophobicContact CB-CE2 3.93Å; F1219-F1339 AromaticContact CD2-CE2 3.79Å; F1219-F1339 HydrophobicContact CD2-CE2 3.79Å; F1219-F1339 HydrophobicContact CG-CD2 4.49Å; F1219-F1339 AromaticContact CG-CE2 3.96Å; F1219-F1339 HydrophobicContact CG-CE2 3.96Å; F1219-A1342 WeakPolarHBondContact O-CB 3.21Å; F1219-I1343 HydrophobicContact CB-CG2 4.07Å; F1219-I1343 HydrophobicContact CD1-CG2 3.62Å; F1219-I1343 HydrophobicContact CE1-CG2 4.29Å; F1219-I1343 HydrophobicContact CG-CG2 3.97Å
1220T87.8Confident88.9Confident26 Ų2628 Ų2816%0.1615%0.147CC..Hα-helixtrans-111.4-27.1-177.462.90000114.7V1216 Y1217 P1338 A1342V1216-T1220 HydrophobicContact CG1-CG2 4.22Å; V1216-T1220 WeakPolarHBondContact O-CB 3.34Å; V1216-T1220 VanDerWaalsContact O-CG2 3.3Å; V1216-T1220 WeakPolarHBondContact O-CG2 3.39Å; V1216-T1220 PolarHBondContact O-N 2.86Å; V1216-T1220 PolarHBondContact O-OG1 3.44Å; Y1217-T1220 PolarHBondContact O-N 3.14Å; Y1217-T1220 VanDerWaalsContact O-N 3.15Å; T1220-P1338 HydrophobicContact CG2-CB 4.22Å; T1220-A1342 HydrophobicContact CG2-CB 4.15Å
1221Q85.8Confident89Confident54 Ų5430.5 Ų30.525%0.25216%0.155SC..THydrogen-bonded Turntrans-111-3.1-176.7-55.4-54.7-6000113.3Y1217 D1223 M1498Y1217-Q1221 HydrophobicContact CD1-CB 4.22Å; Y1217-Q1221 HydrophobicContact CD2-CB 3.94Å; Y1217-Q1221 HydrophobicContact CD2-CG 3.65Å; Y1217-Q1221 HydrophobicContact CE1-CB 4.09Å; Y1217-Q1221 HydrophobicContact CE2-CB 3.83Å; Y1217-Q1221 HydrophobicContact CE2-CG 3.81Å; Y1217-Q1221 HydrophobicContact CG-CB 4.15Å; Y1217-Q1221 HydrophobicContact CG-CG 4.16Å; Y1217-Q1221 WeakPolarHBondContact O-CB 3.44Å; Y1217-Q1221 PolarHBondContact O-N 2.92Å; Q1221-D1223 PolarHBondContact O-N 3.08Å; Q1221-M1498 HydrophobicContact CG-SD 4.48Å
1222S85.6Confident88.8Confident1 Ų130.5 Ų30.51%0.00716%0.155CC..  trans-84.4108.5175.3-174.30000111S1179 I1183 L1218 Q1224 I1225 T1226S1179-S1222 PolarHBondContact OG-OG 3.45Å; I1183-S1222 VanDerWaalsContact CD1-OG 3.29Å; I1183-S1222 WeakPolarHBondContact CD1-OG 3.43Å; L1218-S1222 WeakPolarHBondContact O-CB 3.41Å; S1222-Q1224 PolarHBondContact O-N 3.42Å; S1222-I1225 PolarHBondContact O-N 2.84Å; S1222-T1226 WeakPolarHBondContact O-CB 3.32Å; S1222-T1226 PolarHBondContact O-N 2.87Å; S1222-T1226 PolarHBondContact O-OG1 3.49Å
1223D85.1Confident88.6Confident133 Ų13331.4 Ų31.471%0.71116%0.16SC*.Hα-helixtrans-53.7-40.7177.6-72.9-24.1000112.9Q1221 S1227Q1221-D1223 PolarHBondContact O-N 3.08Å; D1223-S1227 WeakPolarHBondContact O-CB 3.14Å; D1223-S1227 PolarHBondContact O-N 3.08Å; D1223-S1227 PolarHBondContact O-OG 2.95Å
1224Q85.7Confident88.4Confident51 Ų5137.2 Ų37.224%0.23819%0.187CC..Hα-helixtrans-70.2-47.5-175.3-69176.9-26.500111.5I1183 S1222 S1227 G1228 I1273I1183-Q1224 VanDerWaalsContact C-OE1 3.32Å; I1183-Q1224 HydrophobicContact CG2-CB 4.02Å; I1183-Q1224 PolarHBondContact O-OE1 2.98Å; S1222-Q1224 PolarHBondContact O-N 3.42Å; Q1224-S1227 PolarHBondContact O-N 3.3Å; Q1224-G1228 PolarHBondContact O-N 3.16Å; Q1224-I1273 HydrophobicContact CB-CG1 4.38Å
1225I89.2Confident87.9Confident0 Ų040.1 Ų40.10%020%0.199CC..Hα-helixtrans-63.2-47.8175.2-71.4178.2000109.9I1183 L1190 F1219 S1222 S1227 G1228 I1229 I1273 L1312I1183-I1225 HydrophobicContact CD1-CD1 3.4Å; I1183-I1225 VanDerWaalsContact CD1-CD1 3.4Å; I1183-I1225 HydrophobicContact CD1-CG1 3.99Å; I1183-I1225 HydrophobicContact CG1-CD1 4.09Å; I1183-I1225 HydrophobicContact CG2-CG1 4.13Å; L1190-I1225 HydrophobicContact CD2-CD1 3.35Å; F1219-I1225 HydrophobicContact CD1-CG2 4.24Å; S1222-I1225 PolarHBondContact O-N 2.84Å; I1225-S1227 VanDerWaalsContact C-N 3.31Å; I1225-S1227 PolarHBondContact O-N 2.9Å; I1225-G1228 PolarHBondContact O-N 3.38Å; I1225-G1228 VanDerWaalsContact O-N 3.16Å; I1225-I1229 HydrophobicContact CG2-CD1 3.56Å; I1225-I1229 HydrophobicContact CG2-CG1 4.16Å; I1225-I1229 VanDerWaalsContact O-CG1 3.25Å; I1225-I1229 WeakPolarHBondContact O-CG1 3.43Å; I1225-I1229 PolarHBondContact O-N 3.21Å; I1225-I1273 HydrophobicContact CG1-CD1 4.4Å; I1225-L1312 HydrophobicContact CG2-CD2 4.28Å
1226T88Confident86.8Confident45 Ų4541 Ų4128%0.27620%0.203SC..Hα-helixtrans-59.2-43.7179.1-55.40000110.9S1222 G1228 I1229 M1230S1222-T1226 WeakPolarHBondContact O-CB 3.32Å; S1222-T1226 PolarHBondContact O-N 2.87Å; S1222-T1226 PolarHBondContact O-OG1 3.49Å; T1226-G1228 PolarHBondContact O-N 2.87Å; T1226-I1229 PolarHBondContact O-N 3.23Å; T1226-M1230 HydrophobicContact CG2-CG 4.34Å; T1226-M1230 VanDerWaalsContact O-CB 3.3Å; T1226-M1230 WeakPolarHBondContact O-CB 3.36Å; T1226-M1230 WeakPolarHBondContact O-CG 3.45Å; T1226-M1230 PolarHBondContact O-N 2.73Å
1227S89.1Confident85.5Confident62 Ų6244.5 Ų44.543%0.43422%0.219SC..Hα-helixtrans-61.6-43.7175.4-65.70000112.7D1223 Q1224 I1225 M1230 Y1231D1223-S1227 WeakPolarHBondContact O-CB 3.14Å; D1223-S1227 PolarHBondContact O-N 3.08Å; D1223-S1227 PolarHBondContact O-OG 2.95Å; Q1224-S1227 PolarHBondContact O-N 3.3Å; I1225-S1227 VanDerWaalsContact C-N 3.31Å; I1225-S1227 PolarHBondContact O-N 2.9Å; S1227-M1230 PolarHBondContact O-N 3.19Å; S1227-Y1231 WeakPolarHBondContact O-CB 3.16Å; S1227-Y1231 PolarHBondContact O-N 3.44Å
1228G89.5Confident83.7Confident0 Ų046.1 Ų46.10%024%0.236CC..Hα-helixtrans-64.6-42.9176.300000113.2Q1224 I1225 T1226 Y1231 L1232Q1224-G1228 PolarHBondContact O-N 3.16Å; I1225-G1228 PolarHBondContact O-N 3.38Å; I1225-G1228 VanDerWaalsContact O-N 3.16Å; T1226-G1228 PolarHBondContact O-N 2.87Å; G1228-Y1231 PolarHBondContact O-N 3.31Å; G1228-L1232 PolarHBondContact O-N 3.06Å
1229I90.1Very high81.5Confident5 Ų552.2 Ų52.23%0.02627%0.268CS..Hα-helixtrans-64.3-44.2174.6-64.9174.3000110.7I1225 T1226 Y1231 L1232 N1233 L1312 P1345 L1346I1225-I1229 HydrophobicContact CG2-CD1 3.56Å; I1225-I1229 HydrophobicContact CG2-CG1 4.16Å; I1225-I1229 VanDerWaalsContact O-CG1 3.25Å; I1225-I1229 WeakPolarHBondContact O-CG1 3.43Å; I1225-I1229 PolarHBondContact O-N 3.21Å; T1226-I1229 PolarHBondContact O-N 3.23Å; I1229-Y1231 PolarHBondContact O-N 3.47Å; I1229-L1232 WeakPolarHBondContact O-CB 3.31Å; I1229-L1232 PolarHBondContact O-N 3.48Å; I1229-N1233 WeakPolarHBondContact O-CB 3.34Å; I1229-N1233 PolarHBondContact O-N 2.66Å; I1229-L1312 HydrophobicContact CG1-CD2 4.23Å; I1229-P1345 HydrophobicContact CG2-CB 3.79Å; I1229-P1345 HydrophobicContact CG2-CG 3.81Å; I1229-L1346 HydrophobicContact CD1-CD1 3.77Å; I1229-L1346 HydrophobicContact CD1-CG 4.03Å; I1229-L1346 HydrophobicContact CG1-CD1 4.01Å; I1229-L1346 HydrophobicContact CG1-CD2 3.88Å; I1229-L1346 HydrophobicContact CG1-CG 3.83Å; I1229-L1346 HydrophobicContact CG2-CG 4.47Å
1230M88.4Confident79.4Confident117 Ų11757.5 Ų57.558%0.57630%0.303SS*.Hα-helixtrans-65.2-38177.9-72.8-66.9-179.500112T1226 S1227 N1233 K1234T1226-M1230 HydrophobicContact CG2-CG 4.34Å; T1226-M1230 VanDerWaalsContact O-CB 3.3Å; T1226-M1230 WeakPolarHBondContact O-CB 3.36Å; T1226-M1230 WeakPolarHBondContact O-CG 3.45Å; T1226-M1230 PolarHBondContact O-N 2.73Å; S1227-M1230 PolarHBondContact O-N 3.19Å; M1230-N1233 PolarHBondContact O-N 3.44Å; M1230-K1234 VanDerWaalsContact O-CB 3.29Å; M1230-K1234 WeakPolarHBondContact O-CB 3.25Å; M1230-K1234 PolarHBondContact O-N 3.22Å
1231Y89.9Confident77.2Confident66 Ų6662.9 Ų62.926%0.25933%0.33SS..Hα-helixtrans-61.6-49172.3179.4-98.5000111.6S1227 G1228 I1229 N1233 K1234 K1235 A1268 L1269 I1272S1227-Y1231 WeakPolarHBondContact O-CB 3.16Å; S1227-Y1231 PolarHBondContact O-N 3.44Å; G1228-Y1231 PolarHBondContact O-N 3.31Å; I1229-Y1231 PolarHBondContact O-N 3.47Å; Y1231-N1233 VanDerWaalsContact C-N 3.28Å; Y1231-N1233 PolarHBondContact O-N 3.37Å; Y1231-K1234 PolarHBondContact O-N 3.42Å; Y1231-K1235 HydrophobicContact CE1-CD 4.27Å; Y1231-K1235 PolarHBondContact O-N 3.29Å; Y1231-A1268 HydrophobicContact CE1-CB 3.81Å; Y1231-A1268 HydrophobicContact CE2-CB 4.13Å; Y1231-A1268 VanDerWaalsContact CZ-CB 3.45Å; Y1231-A1268 WeakPolarHBondContact OH-CB 3.24Å; Y1231-L1269 HydrophobicContact CD1-CD2 3.92Å; Y1231-L1269 HydrophobicContact CD1-CG 4.14Å; Y1231-L1269 HydrophobicContact CE1-CG 4.36Å; Y1231-I1272 HydrophobicContact CD1-CD1 4.43Å; Y1231-I1272 HydrophobicContact CD2-CD1 4.43Å; Y1231-I1272 HydrophobicContact CG-CD1 4.02Å
1232L86.3Confident74.9Confident1 Ų166.8 Ų66.81%0.00535%0.353CS..Hα-helixtrans-58.3-38.6174.3-81.7-178000112.5G1228 I1229 L1269 L1312 L1346 Y1349G1228-L1232 PolarHBondContact O-N 3.06Å; I1229-L1232 WeakPolarHBondContact O-CB 3.31Å; I1229-L1232 PolarHBondContact O-N 3.48Å; L1232-L1269 HydrophobicContact CD2-CD1 3.78Å; L1232-L1269 HydrophobicContact CG-CD1 4.21Å; L1232-L1269 HydrophobicContact CG-CD2 4.2Å; L1232-L1312 HydrophobicContact CD1-CB 4.36Å; L1232-L1312 HydrophobicContact CD1-CD1 3.85Å; L1232-L1346 HydrophobicContact CD1-CD2 3.92Å; L1232-Y1349 HydrophobicContact CB-CE2 3.82Å; L1232-Y1349 HydrophobicContact CD1-CD2 4.28Å; L1232-Y1349 HydrophobicContact CD1-CE2 4.03Å; L1232-Y1349 HydrophobicContact CD2-CE1 4.1Å; L1232-Y1349 HydrophobicContact CD2-CE2 4.06Å; L1232-Y1349 HydrophobicContact CG-CE2 4.2Å; L1232-Y1349 PolarHBondContact O-OH 3.2Å
1233N85.4Confident72.6Confident26 Ų2672.1 Ų72.114%0.13939%0.39CS..Hα-helixtrans-66.9-51.7176.7-16953.8000111I1229 M1230 Y1231 K1235 E1237 P1345 K1425I1229-N1233 WeakPolarHBondContact O-CB 3.34Å; I1229-N1233 PolarHBondContact O-N 2.66Å; M1230-N1233 PolarHBondContact O-N 3.44Å; Y1231-N1233 VanDerWaalsContact C-N 3.28Å; Y1231-N1233 PolarHBondContact O-N 3.37Å; N1233-K1235 PolarHBondContact O-N 3.05Å; N1233-E1237 PolarHBondContact ND2-OE2 2.69Å; N1233-E1237 VanDerWaalsContact O-CB 3.29Å; N1233-E1237 WeakPolarHBondContact O-CB 3.35Å; N1233-E1237 PolarHBondContact O-N 2.87Å; N1233-E1237 PolarHBondContact OD1-OE2 3.4Å; N1233-P1345 HydrophobicContact CB-CB 3.93Å; N1233-P1345 HydrophobicContact CB-CG 4.44Å; N1233-K1425 WeakPolarHBondContact OD1-CE 3.46Å; N1233-K1425 PolarHBondContact OD1-NZ 3.21Å
1234K84.3Confident70.2Confident179 Ų17972.6 Ų72.678%0.77839%0.393SS*.Hα-helixtrans-64-37.7-174.7-172.6176.4-178.41780113.5M1230 Y1231 Y1236M1230-K1234 VanDerWaalsContact O-CB 3.29Å; M1230-K1234 WeakPolarHBondContact O-CB 3.25Å; M1230-K1234 PolarHBondContact O-N 3.22Å; Y1231-K1234 PolarHBondContact O-N 3.42Å; K1234-Y1236 VanDerWaalsContact C-N 3.3Å; K1234-Y1236 PolarHBondContact O-N 2.97Å
1235K79.3Confident67.7Low61 Ų6175.1 Ų75.127%0.26542%0.416SS..Hα-helixtrans-63.4-31.5-173.1-170.2171.6-170.3173.90114Y1231 N1233 D1261 S1264 C1265Y1231-K1235 HydrophobicContact CE1-CD 4.27Å; Y1231-K1235 PolarHBondContact O-N 3.29Å; N1233-K1235 PolarHBondContact O-N 3.05Å; K1235-D1261 PolarHBondContact NZ-O 3.28Å; K1235-S1264 PolarHBondContact NZ-O 3Å; K1235-S1264 PolarHBondContact NZ-OG 3.33Å; K1235-C1265 HydrophobicContact CD-CB 3.8Å
1236Y70.6Confident65.1Low19 Ų1982.3 Ų82.38%0.07546%0.455CS..Hα-helixtrans-122.25.7-173.3-64.2-76.6000114.3K1234 P1256 D1261 W1262 R1348 Y1349K1234-Y1236 VanDerWaalsContact C-N 3.3Å; K1234-Y1236 PolarHBondContact O-N 2.97Å; Y1236-P1256 HydrophobicContact CD2-CB 4.42Å; Y1236-P1256 HydrophobicContact CE2-CB 4.29Å; Y1236-D1261 PolarHBondContact OH-O 3.22Å; Y1236-W1262 HydrophobicContact CE2-CE3 4.42Å; Y1236-R1348 VanDerWaalsContact O-CZ 3.31Å; Y1236-R1348 PolarHBondContact O-NH1 3.23Å; Y1236-R1348 PolarHBondContact O-NH2 3.4Å; Y1236-Y1349 WeakPolarHBondContact CD2-OH 3.45Å
1237E64.2Low62.6Low75 Ų7586.4 Ų86.435%0.3548%0.479SS..  trans-84.5128.8177.3-168.2146.7-123.800110.9N1233 N1239 K1425 R1428N1233-E1237 PolarHBondContact ND2-OE2 2.69Å; N1233-E1237 VanDerWaalsContact O-CB 3.29Å; N1233-E1237 WeakPolarHBondContact O-CB 3.35Å; N1233-E1237 PolarHBondContact O-N 2.87Å; N1233-E1237 PolarHBondContact OD1-OE2 3.4Å; E1237-N1239 PolarHBondContact O-N 3.45Å; E1237-K1425 IonicContact OE1-NZ 3.18Å; E1237-K1425 PolarHBondContact OE1-NZ 3.2Å; E1237-K1425 IonicContact OE2-NZ 3.44Å; E1237-K1425 PolarHBondContact OE2-NZ 3.24Å; E1237-R1428 IonicContact OE1-NH1 2.66Å; E1237-R1428 PolarHBondContact OE1-NH1 3.47Å
1238A51.9Low60.2Low48 Ų4891.3 Ų91.340%0.39750%0.496SS..  trans-81.7106.5-179.400000109.2P1240A1238-P1240 WeakPolarHBondContact O-CD 3.43Å
1239N44.5Very low57.4Low127 Ų127103 Ų10368%0.67954%0.54SS*.  trans-67119.2-173.1-149.48.7000110.8E1237 N1241E1237-N1239 PolarHBondContact O-N 3.45Å; N1239-N1241 PolarHBondContact O-N 2.83Å
1240P47.6Very low55.4Low112 Ų112109.5 Ų109.573%0.72757%0.568SS**THydrogen-bonded Turntrans-73.7-19.6-170.2-19.532.9000115.6A1238A1238-P1240 WeakPolarHBondContact O-CD 3.43Å
1241N39.8Very low53.6Low139 Ų139106.1 Ų106.174%0.74356%0.556SS**THydrogen-bonded Turntrans-107.25.6-155.4-70.8-0.9000116.8N1239N1239-N1241 PolarHBondContact O-N 2.83Å
1242N37.6Very low52.1Low136 Ų136104.3 Ų104.373%0.72755%0.552SS**  trans-98.4113.4179-7918.4000111.9
1243S37.2Very low51Low113 Ų113105.4 Ų105.479%0.7956%0.557SS**  trans-86.8-4.7-175.346.90000115.6
1244D36.1Very low50.1Low143 Ų143105.9 Ų105.977%0.76556%0.562SS**  trans-80.3129.8-166.6-66.1-23.4000113.9
1245S32.3Very low49.7Very low103 Ų10398 Ų9872%0.7253%0.529SS*.  trans-84.3126.4-17357.30000112.8
1246N34.8Very low49.7Very low152 Ų15295.3 Ų95.381%0.81352%0.518SS*.SBendtrans149.6-3.3143.7-77.3-35.1000115.3
1247T35.2Very low50.2Low130 Ų13094.9 Ų94.980%0.79852%0.516SS*.SBendtrans-103.7132.1170.649.20000111.4R1249T1247-R1249 PolarHBondContact O-N 2.76Å
1248Q38.4Very low50.8Low166 Ų16691.4 Ų91.478%0.77650%0.501SS*.  trans-62.3121.8-174.3-74.2177-25.300111.4K1250Q1248-K1250 PolarHBondContact O-N 2.98Å
1249R32Very low52Low245 Ų24589.8 Ų89.893%0.92549%0.487SS*.  trans-57.5106-177.9-64171.3177.9161.6-2.5110.7T1247 S1251T1247-R1249 PolarHBondContact O-N 2.76Å; R1249-S1251 PolarHBondContact O-N 3.49Å; R1249-S1251 VanDerWaalsContact O-N 3.17Å
1250K47.3Very low53.4Low141 Ų14186.2 Ų86.261%0.61346%0.464SS*.  trans-68110.7170.2-73-170.5174.2-171.90109.4Q1248 D1261Q1248-K1250 PolarHBondContact O-N 2.98Å; K1250-D1261 IonicContact NZ-OD2 2.67Å
1251S50.2Low54.8Low46 Ų4684.1 Ų84.132%0.32245%0.446SS..PPolyproline II helixtrans-63.4147.1165.145.20000110.3R1249 H1253R1249-S1251 PolarHBondContact O-N 3.49Å; R1249-S1251 VanDerWaalsContact O-N 3.17Å; S1251-H1253 PolarHBondContact O-N 3.22Å
1252P58Low57Low28 Ų2877.8 Ų77.818%0.18241%0.412CS..PPolyproline II helixtrans-64.4135.6175.327.8-32.9000109.6L1429P1252-L1429 HydrophobicContact CB-CD2 4.14Å; P1252-L1429 HydrophobicContact CG-CD2 3.73Å
1253H63.9Low59.2Low24 Ų2473.1 Ų73.111%0.11139%0.385CS..PPolyproline II helixtrans-66.1142179.4-155.6-89.9000110.8T503 S1251 D1255T503-H1253 PolarHBondContact OG1-NE2 3.26Å; S1251-H1253 PolarHBondContact O-N 3.22Å; H1253-D1255 PolarHBondContact CE1-O 3.47Å; H1253-D1255 PolarHBondContact ND1-N 2.92Å; H1253-D1255 PolarHBondContact ND1-O 2.94Å
1254S66.2Low61.5Low36 Ų3670.6 Ų70.625%0.25237%0.367SS..SBendtrans-70.6-42.3-176.7470000113.3
1255D75.7Confident63.9Low13 Ų1363.8 Ų63.87%0.0733%0.331CS..SBendtrans-117.9101.1168.7175.721.7000109.4R787 H1253 L1257 S1258 R1351R787-D1255 IonicContact CZ-OD2 2.75Å; R787-D1255 IonicContact NH1-OD2 3.19Å; R787-D1255 PolarHBondContact NH1-OD2 3.19Å; H1253-D1255 PolarHBondContact CE1-O 3.47Å; H1253-D1255 PolarHBondContact ND1-N 2.92Å; H1253-D1255 PolarHBondContact ND1-O 2.94Å; D1255-L1257 PolarHBondContact O-N 3.3Å; D1255-L1257 VanDerWaalsContact O-N 3.16Å; D1255-L1257 WeakPolarHBondContact OD1-CB 3.38Å; D1255-L1257 PolarHBondContact OD1-N 3.18Å; D1255-S1258 WeakPolarHBondContact O-CB 3.3Å; D1255-S1258 PolarHBondContact O-N 2.86Å; D1255-S1258 WeakPolarHBondContact OD2-CB 3.33Å; D1255-R1351 IonicContact OD1-NE 2.73Å; D1255-R1351 IonicContact OD1-NH2 3.13Å; D1255-R1351 IonicContact OD2-CZ 3.03Å; D1255-R1351 IonicContact OD2-NE 3.62Å; D1255-R1351 IonicContact OD2-NH2 2.74Å; D1255-R1351 PolarHBondContact OD2-NH2 3.23Å; D1255-R1351 VanDerWaalsContact OD2-NH2 3.09Å
1256P79.3Confident66.6Low6 Ų658.9 Ų58.94%0.03930%0.297CS..G310 helixtrans-54.7-32.9-177.9-27.835.7000114.2Y1236 S1258 S1259 Y1349Y1236-P1256 HydrophobicContact CD2-CB 4.42Å; Y1236-P1256 HydrophobicContact CE2-CB 4.29Å; P1256-S1258 PolarHBondContact O-N 3.1Å; P1256-S1259 WeakPolarHBondContact O-CB 3.49Å; P1256-S1259 PolarHBondContact O-N 3Å; P1256-S1259 VanDerWaalsContact O-N 3.11Å; P1256-Y1349 HydrophobicContact CB-CD1 3.97Å; P1256-Y1349 HydrophobicContact CB-CE1 3.56Å; P1256-Y1349 HydrophobicContact CG-CD1 4.27Å; P1256-Y1349 HydrophobicContact CG-CE1 3.98Å
1257L81.9Confident69Low9 Ų956.7 Ų56.75%0.04728%0.277CS..G310 helixtrans-66.1-24.8178.9-68151.2000112.9D1255 W1262 L1313D1255-L1257 PolarHBondContact O-N 3.3Å; D1255-L1257 VanDerWaalsContact O-N 3.16Å; D1255-L1257 WeakPolarHBondContact OD1-CB 3.38Å; D1255-L1257 PolarHBondContact OD1-N 3.18Å; L1257-W1262 HydrophobicContact CD2-CD2 4.35Å; L1257-W1262 HydrophobicContact CD2-CH2 3.89Å; L1257-W1262 HydrophobicContact CD2-CZ2 3.42Å; L1257-W1262 VanDerWaalsContact CD2-CZ2 3.42Å; L1257-W1262 HydrophobicContact CG-CZ2 4.43Å; L1257-L1313 HydrophobicContact CD2-CD1 4.06Å
1258S77.1Confident71.5Confident3 Ų351.3 Ų51.32%0.02125%0.245CC..G310 helixtrans-88.70.3176.8-175.90000113.1E716 R720 R787 D1255 P1256E716-S1258 PolarHBondContact OE1-OG 3.19Å; R720-S1258 PolarHBondContact NH2-O 2.66Å; R787-S1258 VanDerWaalsContact NH2-CB 3.27Å; R787-S1258 PolarHBondContact NH2-OG 3.49Å; D1255-S1258 WeakPolarHBondContact O-CB 3.3Å; D1255-S1258 PolarHBondContact O-N 2.86Å; D1255-S1258 WeakPolarHBondContact OD2-CB 3.33Å; P1256-S1258 PolarHBondContact O-N 3.1Å
1259S77.5Confident73.9Confident14 Ų1443.5 Ų43.510%0.09821%0.209CC..  trans-70.8142.8-176-175.50000112.4P1256 D1261 W1262P1256-S1259 WeakPolarHBondContact O-CB 3.49Å; P1256-S1259 PolarHBondContact O-N 3Å; P1256-S1259 VanDerWaalsContact O-N 3.11Å; S1259-D1261 PolarHBondContact O-N 3.47Å; S1259-D1261 PolarHBondContact OG-N 3.03Å; S1259-D1261 VanDerWaalsContact OG-N 3.16Å; S1259-W1262 VanDerWaalsContact O-CB 3.24Å; S1259-W1262 WeakPolarHBondContact O-CB 3.32Å; S1259-W1262 PolarHBondContact O-N 3.32Å
1260R72.6Confident76.6Confident52 Ų5232.4 Ų32.420%0.19617%0.168CC..THydrogen-bonded Turntrans-57.4-27.5167.2-71-175.7-163.7-1372.9112.1A505 S508 D509 Q674 W1262A505-R1260 HydrophobicContact CB-CB 4.44Å; A505-R1260 HydrophobicContact CB-CG 3.96Å; A505-R1260 PolarHBondContact O-NE 3.12Å; A505-R1260 PolarHBondContact O-NH2 3.11Å; S508-R1260 PolarHBondContact OG-NH1 3.01Å; D509-R1260 VanDerWaalsContact CG-NH2 3.29Å; D509-R1260 IonicContact OD1-CZ 3.68Å; D509-R1260 IonicContact OD1-NH1 3.58Å; D509-R1260 PolarHBondContact OD1-NH1 3.05Å; D509-R1260 IonicContact OD1-NH2 2.95Å; D509-R1260 PolarHBondContact OD1-NH2 3.21Å; D509-R1260 VanDerWaalsContact OD1-NH2 3.13Å; D509-R1260 IonicContact OD2-CZ 2.73Å; D509-R1260 IonicContact OD2-NH1 2.94Å; D509-R1260 IonicContact OD2-NH2 3.7Å; D509-R1260 PolarHBondContact OD2-NH2 3.33Å; Q674-R1260 VanDerWaalsContact OE1-NH1 3.07Å; R1260-W1262 VanDerWaalsContact C-N 3.34Å
1261D78.1Confident78.4Confident67 Ų6732 Ų3236%0.35817%0.168SC..THydrogen-bonded Turntrans-896.5179.8-61.7-35.4000113.1K1235 Y1236 K1250 S1259 S1264 C1265K1235-D1261 PolarHBondContact NZ-O 3.28Å; Y1236-D1261 PolarHBondContact OH-O 3.22Å; K1250-D1261 IonicContact NZ-OD2 2.67Å; S1259-D1261 PolarHBondContact O-N 3.47Å; S1259-D1261 PolarHBondContact OG-N 3.03Å; S1259-D1261 VanDerWaalsContact OG-N 3.16Å; D1261-S1264 PolarHBondContact O-OG 3.42Å; D1261-C1265 PolarHBondContact O-N 2.93Å
1262W84.9Confident80.1Confident7 Ų732.4 Ų32.43%0.02717%0.166CC..SBendtrans-68.9-46.3-177.9-179-108.2000113Y1236 L1257 S1259 R1260 S1264 C1265 I1266 Y1308 L1313 Y1349Y1236-W1262 HydrophobicContact CE2-CE3 4.42Å; L1257-W1262 HydrophobicContact CD2-CD2 4.35Å; L1257-W1262 HydrophobicContact CD2-CH2 3.89Å; L1257-W1262 HydrophobicContact CD2-CZ2 3.42Å; L1257-W1262 VanDerWaalsContact CD2-CZ2 3.42Å; L1257-W1262 HydrophobicContact CG-CZ2 4.43Å; S1259-W1262 VanDerWaalsContact O-CB 3.24Å; S1259-W1262 WeakPolarHBondContact O-CB 3.32Å; S1259-W1262 PolarHBondContact O-N 3.32Å; R1260-W1262 VanDerWaalsContact C-N 3.34Å; W1262-S1264 VanDerWaalsContact C-N 3.3Å; W1262-S1264 PolarHBondContact O-N 3.49Å; W1262-C1265 HydrophobicContact CE3-CB 4.24Å; W1262-C1265 VanDerWaalsContact O-CA 3.29Å; W1262-C1265 WeakPolarHBondContact O-CA 3.48Å; W1262-C1265 WeakPolarHBondContact O-CB 3.28Å; W1262-C1265 PolarHBondContact O-N 2.91Å; W1262-I1266 HydrophobicContact CD2-CG1 4.48Å; W1262-I1266 HydrophobicContact CH2-CD1 4.35Å; W1262-I1266 HydrophobicContact CZ2-CD1 3.55Å; W1262-I1266 HydrophobicContact CZ2-CG1 3.93Å; W1262-I1266 PolarHBondContact O-N 3.39Å; W1262-Y1308 AromaticContact CD1-CD1 3.78Å; W1262-Y1308 AromaticContact NE1-CD1 3.58Å; W1262-L1313 HydrophobicContact CH2-CD1 4Å; W1262-L1313 HydrophobicContact CZ2-CD1 3.73Å; W1262-Y1349 HydrophobicContact CH2-CD1 4.23Å; W1262-Y1349 HydrophobicContact CH2-CE1 4.36Å; W1262-Y1349 HydrophobicContact CZ3-CD1 4.07Å; W1262-Y1349 AromaticContact CZ3-CE1 3.82Å; W1262-Y1349 HydrophobicContact CZ3-CE1 3.82Å
1263F85.5Confident81.4Confident37 Ų3731 Ų3116%0.16216%0.157CC..Hα-helixtrans-63.6-35.6-178.9-174.5-110.1000112.6V661 D662 F663 P712 C1265 I1266 R1267V661-F1263 HydrophobicContact CG1-CD1 4.25Å; V661-F1263 HydrophobicContact CG1-CE1 3.54Å; V661-F1263 HydrophobicContact CG1-CZ 4.13Å; D662-F1263 WeakPolarHBondContact O-CE1 3.39Å; F663-F1263 HydrophobicContact CB-CZ 4.45Å; F663-F1263 AromaticContact CD1-CE2 3.78Å; F663-F1263 HydrophobicContact CD1-CE2 3.78Å; F663-F1263 AromaticContact CD1-CZ 3.74Å; F663-F1263 HydrophobicContact CD1-CZ 3.74Å; F663-F1263 HydrophobicContact CD2-CZ 4.43Å; F663-F1263 AromaticContact CE1-CE2 3.88Å; F663-F1263 HydrophobicContact CE1-CE2 3.88Å; F663-F1263 HydrophobicContact CE1-CZ 4.06Å; F663-F1263 HydrophobicContact CG-CE2 4.45Å; F663-F1263 AromaticContact CG-CZ 3.94Å; F663-F1263 HydrophobicContact CG-CZ 3.94Å; P712-F1263 HydrophobicContact CB-CB 4.36Å; P712-F1263 HydrophobicContact CB-CD2 3.79Å; P712-F1263 HydrophobicContact CB-CE2 4.18Å; P712-F1263 HydrophobicContact CB-CG 4Å; P712-F1263 HydrophobicContact CG-CD1 3.96Å; P712-F1263 HydrophobicContact CG-CD2 3.38Å; P712-F1263 HydrophobicContact CG-CE1 3.88Å; P712-F1263 HydrophobicContact CG-CE2 3.28Å; P712-F1263 HydrophobicContact CG-CG 3.71Å; P712-F1263 HydrophobicContact CG-CZ 3.51Å; F1263-C1265 PolarHBondContact O-N 3.33Å; F1263-I1266 PolarHBondContact O-N 3.06Å; F1263-R1267 PolarHBondContact O-N 3.02Å
1264S85.1Confident82.2Confident60 Ų6031.1 Ų31.142%0.4216%0.16SC..Hα-helixtrans-72.5-11.3170.968.60000113.3K1235 D1261 W1262K1235-S1264 PolarHBondContact NZ-O 3Å; K1235-S1264 PolarHBondContact NZ-OG 3.33Å; D1261-S1264 PolarHBondContact O-OG 3.42Å; W1262-S1264 VanDerWaalsContact C-N 3.3Å; W1262-S1264 PolarHBondContact O-N 3.49Å
1265C86.9Confident82.8Confident0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-81.4-48.6170.4-165.10000109.4K1235 D1261 W1262 F1263 R1267 A1268 L1269K1235-C1265 HydrophobicContact CD-CB 3.8Å; D1261-C1265 PolarHBondContact O-N 2.93Å; W1262-C1265 HydrophobicContact CE3-CB 4.24Å; W1262-C1265 VanDerWaalsContact O-CA 3.29Å; W1262-C1265 WeakPolarHBondContact O-CA 3.48Å; W1262-C1265 WeakPolarHBondContact O-CB 3.28Å; W1262-C1265 PolarHBondContact O-N 2.91Å; F1263-C1265 PolarHBondContact O-N 3.33Å; C1265-R1267 PolarHBondContact O-N 3.16Å; C1265-A1268 PolarHBondContact O-N 2.95Å; C1265-L1269 WeakPolarHBondContact O-CB 3.45Å; C1265-L1269 WeakPolarHBondContact O-CG 3.5Å; C1265-L1269 PolarHBondContact O-N 3.21Å
1266I87.7Confident82.7Confident0 Ų030.9 Ų30.90%016%0.155CC..Hα-helixtrans-56.2-50.4174.4-68.9-59.7000111.3W1262 F1263 A1268 L1269 H1270 V1306 Y1308 H1310W1262-I1266 HydrophobicContact CD2-CG1 4.48Å; W1262-I1266 HydrophobicContact CH2-CD1 4.35Å; W1262-I1266 HydrophobicContact CZ2-CD1 3.55Å; W1262-I1266 HydrophobicContact CZ2-CG1 3.93Å; W1262-I1266 PolarHBondContact O-N 3.39Å; F1263-I1266 PolarHBondContact O-N 3.06Å; I1266-A1268 VanDerWaalsContact C-N 3.34Å; I1266-A1268 PolarHBondContact O-N 2.88Å; I1266-L1269 HydrophobicContact CD1-CD1 4.43Å; I1266-L1269 WeakPolarHBondContact O-CB 3.41Å; I1266-L1269 PolarHBondContact O-N 2.95Å; I1266-H1270 PolarHBondContact O-CD2 3.45Å; I1266-H1270 PolarHBondContact O-N 3.28Å; I1266-V1306 HydrophobicContact CG2-CG1 4.35Å; I1266-Y1308 WeakPolarHBondContact CD1-O 3.38Å; I1266-H1310 HydrophobicContact CD1-CB 4.18Å
1267R86Confident82Confident107 Ų10731.9 Ų31.940%0.40416%0.158SC..Hα-helixtrans-54.3-48.5177.6178.9173.3166.5162.2-2.1112.8F1263 C1265 L1269 H1270 E1271F1263-R1267 PolarHBondContact O-N 3.02Å; C1265-R1267 PolarHBondContact O-N 3.16Å; R1267-L1269 VanDerWaalsContact C-N 3.33Å; R1267-L1269 PolarHBondContact O-N 3.35Å; R1267-H1270 PolarHBondContact O-N 3.1Å; R1267-E1271 WeakPolarHBondContact CG-OE1 3.45Å; R1267-E1271 IonicContact NE-OE1 3.45Å; R1267-E1271 PolarHBondContact NE-OE1 3.31Å; R1267-E1271 WeakPolarHBondContact O-CG 3.42Å; R1267-E1271 PolarHBondContact O-N 2.93Å; R1267-E1271 VanDerWaalsContact O-N 3.08Å
1268A88.1Confident80.8Confident16 Ų1632.5 Ų32.513%0.13216%0.161CC..Hα-helixtrans-67.4-30.8177.600000113.3Y1231 C1265 I1266 E1271 I1272Y1231-A1268 HydrophobicContact CE1-CB 3.81Å; Y1231-A1268 HydrophobicContact CE2-CB 4.13Å; Y1231-A1268 VanDerWaalsContact CZ-CB 3.45Å; Y1231-A1268 WeakPolarHBondContact OH-CB 3.24Å; C1265-A1268 PolarHBondContact O-N 2.95Å; I1266-A1268 VanDerWaalsContact C-N 3.34Å; I1266-A1268 PolarHBondContact O-N 2.88Å; A1268-E1271 WeakPolarHBondContact O-CB 3.27Å; A1268-E1271 PolarHBondContact O-N 3.44Å; A1268-I1272 WeakPolarHBondContact O-CG1 3.46Å; A1268-I1272 PolarHBondContact O-N 2.81Å
1269L88.2Confident79.4Confident2 Ų234.4 Ų34.41%0.0117%0.173CC..Hα-helixtrans-69.2-40.5174-79.4174.5000112.5Y1231 L1232 C1265 I1266 R1267 E1271 I1272 I1273 H1310 L1312Y1231-L1269 HydrophobicContact CD1-CD2 3.92Å; Y1231-L1269 HydrophobicContact CD1-CG 4.14Å; Y1231-L1269 HydrophobicContact CE1-CG 4.36Å; L1232-L1269 HydrophobicContact CD2-CD1 3.78Å; L1232-L1269 HydrophobicContact CG-CD1 4.21Å; L1232-L1269 HydrophobicContact CG-CD2 4.2Å; C1265-L1269 WeakPolarHBondContact O-CB 3.45Å; C1265-L1269 WeakPolarHBondContact O-CG 3.5Å; C1265-L1269 PolarHBondContact O-N 3.21Å; I1266-L1269 HydrophobicContact CD1-CD1 4.43Å; I1266-L1269 WeakPolarHBondContact O-CB 3.41Å; I1266-L1269 PolarHBondContact O-N 2.95Å; R1267-L1269 VanDerWaalsContact C-N 3.33Å; R1267-L1269 PolarHBondContact O-N 3.35Å; L1269-E1271 PolarHBondContact O-N 2.95Å; L1269-I1272 PolarHBondContact O-N 3.46Å; L1269-I1272 VanDerWaalsContact O-N 3.12Å; L1269-I1273 PolarHBondContact O-N 2.8Å; L1269-H1310 VanDerWaalsContact C-NE2 3.33Å; L1269-H1310 PolarHBondContact O-NE2 2.88Å; L1269-L1312 HydrophobicContact CD2-CD1 4.06Å
1270H87.9Confident78.1Confident12 Ų1239.5 Ų39.56%0.05619%0.191CC..Hα-helixtrans-70.1-20.1173.5-75.5-109.3000112.8P664 Y665 I1266 R1267 I1273 G1309 H1310P664-H1270 HydrophobicContact CB-CB 4.17Å; P664-H1270 HydrophobicContact CG-CB 4.32Å; Y665-H1270 AromaticContact CE2-ND1 3.54Å; Y665-H1270 AromaticContact CZ-ND1 3.57Å; Y665-H1270 PolarHBondContact OH-ND1 3.14Å; I1266-H1270 PolarHBondContact O-CD2 3.45Å; I1266-H1270 PolarHBondContact O-N 3.28Å; R1267-H1270 PolarHBondContact O-N 3.1Å; H1270-I1273 WeakPolarHBondContact CA-O 3.4Å; H1270-G1309 PolarHBondContact NE2-O 2.69Å; H1270-H1310 AromaticContact CD2-CD2 3.62Å; H1270-H1310 AromaticContact NE2-CD2 3.63Å
1271E85.2Confident76.9Confident133 Ų13338.8 Ų38.862%0.62119%0.193SC*.Hα-helixtrans-75.7-25.1168.8-71.9165.4-171.300112.5R1267 A1268 L1269R1267-E1271 WeakPolarHBondContact CG-OE1 3.45Å; R1267-E1271 IonicContact NE-OE1 3.45Å; R1267-E1271 PolarHBondContact NE-OE1 3.31Å; R1267-E1271 WeakPolarHBondContact O-CG 3.42Å; R1267-E1271 PolarHBondContact O-N 2.93Å; R1267-E1271 VanDerWaalsContact O-N 3.08Å; A1268-E1271 WeakPolarHBondContact O-CB 3.27Å; A1268-E1271 PolarHBondContact O-N 3.44Å; L1269-E1271 PolarHBondContact O-N 2.95Å
1272I86Confident75.3Confident54 Ų5444.5 Ų44.528%0.27721%0.214SC..Hα-helixtrans-90.1-47.5175.6-59.3162.8000111.6Y1231 A1268 L1269Y1231-I1272 HydrophobicContact CD1-CD1 4.43Å; Y1231-I1272 HydrophobicContact CD2-CD1 4.43Å; Y1231-I1272 HydrophobicContact CG-CD1 4.02Å; A1268-I1272 WeakPolarHBondContact O-CG1 3.46Å; A1268-I1272 PolarHBondContact O-N 2.81Å; L1269-I1272 PolarHBondContact O-N 3.46Å; L1269-I1272 VanDerWaalsContact O-N 3.12Å
1273I85.7Confident73.2Confident0 Ų049.1 Ų49.10%024%0.244CC..SBendtrans-129.999.9-178.8-53.1-176.6000108I1183 H1186 Q1224 I1225 L1269 H1270 D1275 H1310 L1311 L1312I1183-I1273 HydrophobicContact CG2-CG2 4.37Å; H1186-I1273 VanDerWaalsContact CE1-CG2 3.45Å; H1186-I1273 WeakPolarHBondContact CE1-CG2 3.07Å; H1186-I1273 WeakPolarHBondContact NE2-CG2 3.26Å; Q1224-I1273 HydrophobicContact CB-CG1 4.38Å; I1225-I1273 HydrophobicContact CG1-CD1 4.4Å; L1269-I1273 PolarHBondContact O-N 2.8Å; H1270-I1273 WeakPolarHBondContact CA-O 3.4Å; I1273-D1275 PolarHBondContact O-N 2.96Å; I1273-H1310 VanDerWaalsContact C-NE2 3.26Å; I1273-H1310 WeakPolarHBondContact CB-NE2 3.37Å; I1273-H1310 WeakPolarHBondContact CD1-CE1 3.47Å; I1273-H1310 PolarHBondContact O-NE2 3.24Å; I1273-L1311 HydrophobicContact CG2-CD2 4.05Å; I1273-L1312 HydrophobicContact CD1-CD2 4.47Å; I1273-L1312 HydrophobicContact CD1-CG 4.49Å
1274P80.4Confident70.6Confident26 Ų2651.5 Ų51.517%0.16926%0.264CS..  trans-75113.9-178.828.2-33.2000111.7Y665 H1186 T1279Y665-P1274 HydrophobicContact CE1-CB 4.43Å; H1186-P1274 PolarHBondContact CE1-O 3.03Å; H1186-P1274 PolarHBondContact ND1-O 3.31Å; P1274-T1279 HydrophobicContact CB-CG2 3.63Å; P1274-T1279 WeakPolarHBondContact CB-OG1 3.29Å; P1274-T1279 HydrophobicContact CG-CG2 4.22Å; P1274-T1279 WeakPolarHBondContact CG-OG1 3.42Å
1275D78.8Confident68.1Low29 Ų2954.5 Ų54.516%0.15528%0.28CS..  trans-94.8-2.9-168.6-161.934.2000115.7Y665 I1273 H1310 L1311 R1314Y665-D1275 PolarHBondContact OH-N 3.47Å; I1273-D1275 PolarHBondContact O-N 2.96Å; D1275-H1310 VanDerWaalsContact OD2-CA 3.3Å; D1275-H1310 WeakPolarHBondContact OD2-CA 3.47Å; D1275-L1311 PolarHBondContact OD2-N 3.17Å; D1275-R1314 IonicContact OD1-CZ 3.8Å; D1275-R1314 IonicContact OD1-NH1 2.7Å; D1275-R1314 PolarHBondContact OD1-NH1 2.93Å; D1275-R1314 IonicContact OD1-NH2 3.11Å; D1275-R1314 PolarHBondContact OD1-NH2 3.11Å; D1275-R1314 IonicContact OD2-CZ 3.91Å; D1275-R1314 IonicContact OD2-NH1 3.96Å; D1275-R1314 PolarHBondContact OD2-NH1 3.48Å; D1275-R1314 IonicContact OD2-NH2 2.69Å
1276Q73.4Confident65.4Low15 Ų1561.3 Ų61.37%0.0732%0.315CS..SBendtrans-100.2151.9170.4-70.7-170.91.800110.7Y665 I1278 H1303 L1304 V1306Y665-Q1276 HydrophobicContact CD2-CB 4.42Å; Y665-Q1276 HydrophobicContact CD2-CG 4.15Å; Y665-Q1276 HydrophobicContact CE1-CB 4.28Å; Y665-Q1276 HydrophobicContact CE2-CB 3.93Å; Y665-Q1276 HydrophobicContact CE2-CG 3.64Å; Y665-Q1276 PolarHBondContact OH-N 3.06Å; Q1276-I1278 PolarHBondContact O-N 2.7Å; Q1276-H1303 VanDerWaalsContact OE1-CB 3.31Å; Q1276-H1303 PolarHBondContact OE1-ND1 3.01Å; Q1276-L1304 PolarHBondContact NE2-O 3.36Å; Q1276-V1306 VanDerWaalsContact NE2-CG2 3.25Å
1277W64.5Low62.6Low27 Ų2766.8 Ų66.810%0.10235%0.353CS..THydrogen-bonded Turntrans-56.4132.1-164-84.642.1000113.6I837 E838 Y841 L1138 H1139 L1146 T1279I837-W1277 HydrophobicContact CB-CH2 4.15Å; I837-W1277 HydrophobicContact CB-CZ2 3.85Å; I837-W1277 HydrophobicContact CD1-CH2 3.51Å; I837-W1277 HydrophobicContact CD1-CZ2 4.13Å; I837-W1277 HydrophobicContact CD1-CZ3 4.03Å; I837-W1277 HydrophobicContact CG1-CH2 4.41Å; I837-W1277 HydrophobicContact CG2-CH2 3.92Å; I837-W1277 HydrophobicContact CG2-CZ2 3.41Å; I837-W1277 VanDerWaalsContact CG2-CZ2 3.41Å; E838-W1277 HydrophobicContact CG-CG 4.34Å; E838-W1277 WeakPolarHBondContact OE1-CB 3.32Å; Y841-W1277 AromaticContact CE2-CZ2 3.88Å; Y841-W1277 HydrophobicContact CE2-CZ2 3.88Å; L1138-W1277 HydrophobicContact CB-CZ3 4.46Å; H1139-W1277 AromaticContact CE1-CE3 3.72Å; H1139-W1277 AromaticContact ND1-CE3 3.74Å; L1146-W1277 HydrophobicContact CD2-CH2 4.14Å; W1277-T1279 PolarHBondContact O-N 2.76Å
1278I56.7Low59.8Low22 Ų2267.2 Ų67.211%0.11337%0.371CS..THydrogen-bonded Turntrans40.366.9168.8-48174.9000112.9I1135 Q1276 Y1280I1135-I1278 HydrophobicContact CB-CD1 4.26Å; I1135-I1278 HydrophobicContact CD1-CG2 4.19Å; I1135-I1278 HydrophobicContact CG1-CD1 4.09Å; I1135-I1278 HydrophobicContact CG2-CD1 3.63Å; I1135-I1278 HydrophobicContact CG2-CG2 4.23Å; Q1276-I1278 PolarHBondContact O-N 2.7Å; I1278-Y1280 PolarHBondContact O-N 3.31Å
1279T49.2Very low56.9Low43 Ų4374.3 Ų74.326%0.26441%0.407SS..  trans-58.1110.3151.340.30000109.2Y665 P1274 W1277 P1281Y665-T1279 HydrophobicContact CE1-CG2 4.12Å; P1274-T1279 HydrophobicContact CB-CG2 3.63Å; P1274-T1279 WeakPolarHBondContact CB-OG1 3.29Å; P1274-T1279 HydrophobicContact CG-CG2 4.22Å; P1274-T1279 WeakPolarHBondContact CG-OG1 3.42Å; W1277-T1279 PolarHBondContact O-N 2.76Å; T1279-P1281 WeakPolarHBondContact O-CD 3.22Å; T1279-P1281 VanDerWaalsContact O-N 3.13Å
1280Y50Low54.2Low121 Ų12180.2 Ų80.248%0.47544%0.443SS..  trans-46.7119.2157.3-66.9-93.6000108.1I1278 K1282I1278-Y1280 PolarHBondContact O-N 3.31Å; Y1280-K1282 PolarHBondContact O-N 3.29Å
1281P46.2Very low51.5Low36 Ų3684.2 Ų84.223%0.23447%0.472CS..  trans-60.7118.6-176.920.1-30.3000109.5W1185 T1279 T1283 C1284W1185-P1281 HydrophobicContact CH2-CG 4.27Å; W1185-P1281 HydrophobicContact CZ3-CG 4.41Å; T1279-P1281 WeakPolarHBondContact O-CD 3.22Å; T1279-P1281 VanDerWaalsContact O-N 3.13Å; P1281-T1283 PolarHBondContact O-N 3.32Å; P1281-C1284 PolarHBondContact O-N 3.45Å
1282K45.7Very low48.8Very low187 Ų18784.7 Ų84.781%0.81348%0.479SS*.G310 helixtrans-55.7-18.1-177.2-71-175.6176-178.80113.4Y1280 T1285Y1280-K1282 PolarHBondContact O-N 3.29Å; K1282-T1285 PolarHBondContact O-OG1 2.94Å
1283T39.4Very low46.3Very low104 Ų10490.3 Ų90.364%0.63851%0.51SS*.G310 helixtrans-78-11.7177.645.80000115P1281 T1285P1281-T1283 PolarHBondContact O-N 3.32Å; T1283-T1285 PolarHBondContact O-N 3.23Å
1284C31.8Very low43.5Very low87 Ų8795.8 Ų95.859%0.58855%0.548SS*.G310 helixtrans-74.7-1.8173.7-75.80000114.2P1281 I1286P1281-C1284 PolarHBondContact O-N 3.45Å; C1284-I1286 VanDerWaalsContact C-N 3.31Å; C1284-I1286 PolarHBondContact O-N 3.11Å
1285T31.7Very low41.1Very low123 Ų123102.1 Ų102.176%0.75558%0.58SS**G310 helixtrans-84.63.6178.756.50000114.4K1282 T1283K1282-T1285 PolarHBondContact O-OG1 2.94Å; T1283-T1285 PolarHBondContact O-N 3.23Å
1286I30Very low39Very low144 Ų144108.6 Ų108.674%0.73861%0.609SS**SBendtrans-109.868.4179.3-46.8-179.8000110.8C1284C1284-I1286 VanDerWaalsContact C-N 3.31Å; C1284-I1286 PolarHBondContact O-N 3.11Å
1287S30.1Very low37.4Very low114 Ų114116.1 Ų116.180%0.79764%0.644SS**SBendtrans171.117.7152.445.30000115.6
1288C27.2Very low36.2Very low117 Ų117120.3 Ų120.379%0.79167%0.673SS**  trans-108.156.2173.6-68.60000113T1290C1288-T1290 PolarHBondContact O-N 3.41Å
1289N26.6Very low35.9Very low165 Ų165125.3 Ų125.388%0.88270%0.7SS**  trans-82.278.7165.5-87.4-7.3000110.6
1290T32.3Very low36.2Very low126 Ų126129.1 Ų129.177%0.77371%0.713SS**SBendtrans-165.9106.7151.918.50000110.3C1288C1288-T1290 PolarHBondContact O-N 3.41Å
1291S29.9Very low36.8Very low95 Ų95124.9 Ų124.966%0.66470%0.7SS**  trans21.3127.7150.257.40000120.3
1292N29.7Very low37.7Very low144 Ų144125.7 Ų125.777%0.7771%0.706SS**  trans80.279.2156.9-48-16.9000116.7
1293D32Very low39.2Very low172 Ų172120 Ų12092%0.9268%0.682SS**  -151.3108.5129.3-94.2-35.8000108.8
1294S28.4Very low41.3Very low114 Ų114115.7 Ų115.780%0.79765%0.654SS**  trans-120.946.7-173.454.20000111.1
1295L30.2Very low43.9Very low160 Ų160111.7 Ų111.784%0.83863%0.627SS**  trans-157.672.3-175-94.1136.3000110.6
1296E34.9Very low46.5Very low164 Ų164106 Ų10677%0.76659%0.593SS**  trans-166.746.3164.4-115.4171.7-131.400112.6
1297E38.5Very low49.1Very low173 Ų17399.3 Ų99.381%0.80856%0.559SS**  trans-95.20.4172.2-75.3-159.4129.300114.2
1298T39.8Very low51.8Low116 Ų11694.3 Ų94.371%0.71252%0.522SS*.THydrogen-bonded Turntrans-83.5139.8-177.247.80000111.9
1299D51Low54.5Low126 Ų12689 Ų8967%0.67449%0.487SS*.THydrogen-bonded Turntrans82.428.7175.8-54.1-24.5000118.8
1300K55.7Low57.5Low123 Ų12381.1 Ų81.154%0.53545%0.445SS..PPolyproline II helixtrans-78.9127.3159.8-67.9176.4-174165.40110.7
1301P60.8Low60.3Low33 Ų3375.1 Ų75.121%0.21441%0.408CS..PPolyproline II helixtrans-65.3148.2171.728.2-34.1000110.7
1302P65.9Low63.2Low53 Ų5370.6 Ų70.634%0.34438%0.376SS..PPolyproline II helixtrans-73.5139.1-177.833.2-38.3000111.5W746 Y771W746-P1302 HydrophobicContact CH2-CB 4.49Å; W746-P1302 HydrophobicContact CH2-CG 3.55Å; W746-P1302 HydrophobicContact CZ2-CG 3.71Å; W746-P1302 HydrophobicContact CZ3-CG 3.99Å; Y771-P1302 HydrophobicContact CD2-CB 3.94Å; Y771-P1302 HydrophobicContact CD2-CG 4.03Å; Y771-P1302 HydrophobicContact CE2-CB 3.84Å; Y771-P1302 HydrophobicContact CE2-CG 4.28Å
1303H77.9Confident66.1Low68 Ų6864.3 Ų64.332%0.31534%0.343SS..PPolyproline II helixtrans-65.1145.4174.9-67-63.3000112.2Y665 L667 Y771 Q1276Y665-H1303 AromaticContact CD1-CE1 3.92Å; Y665-H1303 AromaticContact CD1-ND1 4Å; Y665-H1303 HydrophobicContact CG-CB 4.44Å; Y665-H1303 AromaticContact CG-CG 3.95Å; Y665-H1303 AromaticContact CG-ND1 3.68Å; L667-H1303 HydrophobicContact CD1-CB 3.97Å; L667-H1303 HydrophobicContact CD2-CB 4.48Å; L667-H1303 HydrophobicContact CG-CB 4.14Å; Y771-H1303 WeakPolarHBondContact CE2-O 3.46Å; Y771-H1303 PolarHBondContact OH-O 3.18Å; Y771-H1303 VanDerWaalsContact OH-O 3.08Å; Q1276-H1303 VanDerWaalsContact OE1-CB 3.31Å; Q1276-H1303 PolarHBondContact OE1-ND1 3.01Å
1304L83.7Confident68.9Low12 Ų1257.4 Ų57.46%0.06330%0.304CS..  trans-104.4150.5178.5-64.8171.9000111.3C774 F778 L839 Q1276 V1306C774-L1304 HydrophobicContact CB-CD2 4.27Å; F778-L1304 HydrophobicContact CB-CB 4.25Å; F778-L1304 HydrophobicContact CB-CD1 4.25Å; F778-L1304 HydrophobicContact CD1-CB 4.04Å; F778-L1304 HydrophobicContact CD2-CB 3.87Å; F778-L1304 HydrophobicContact CD2-CD1 3.43Å; F778-L1304 VanDerWaalsContact CD2-CD1 3.43Å; F778-L1304 HydrophobicContact CD2-CG 4.25Å; F778-L1304 HydrophobicContact CE1-CB 4.38Å; F778-L1304 HydrophobicContact CE2-CB 4.19Å; F778-L1304 HydrophobicContact CE2-CD1 4Å; F778-L1304 HydrophobicContact CG-CB 3.78Å; F778-L1304 HydrophobicContact CG-CD1 4.01Å; F778-L1304 HydrophobicContact CG-CG 4.42Å; F778-L1304 HydrophobicContact CZ-CB 4.44Å; L839-L1304 HydrophobicContact CG-CD1 4.2Å; Q1276-L1304 PolarHBondContact NE2-O 3.36Å; L1304-V1306 PolarHBondContact O-N 2.93Å; L1304-V1306 VanDerWaalsContact O-N 3.14Å
1305P85.6Confident71.9Confident3 Ų352 Ų522%0.01927%0.266CS..  trans-76102.1-174.930.2-36.2000112.8F663 L709 F778F663-P1305 HydrophobicContact CD1-CB 4.39Å; F663-P1305 HydrophobicContact CE1-CB 4.2Å; L709-P1305 HydrophobicContact CD2-CG 4.32Å; F778-P1305 WeakPolarHBondContact CD1-O 3.36Å
1306V86.3Confident74.9Confident5 Ų544.9 Ų44.93%0.0323%0.229CC..  trans-82.9124176.1-169.90000111.3F663 F778 I1266 Q1276 L1304 G1309F663-V1306 VanDerWaalsContact CD1-O 3.29Å; F663-V1306 WeakPolarHBondContact CD1-O 3.43Å; F663-V1306 WeakPolarHBondContact CE1-O 3.39Å; F778-V1306 HydrophobicContact CE1-CB 4.5Å; F778-V1306 HydrophobicContact CE1-CG2 3.99Å; F778-V1306 HydrophobicContact CZ-CG2 4.2Å; I1266-V1306 HydrophobicContact CG2-CG1 4.35Å; Q1276-V1306 VanDerWaalsContact NE2-CG2 3.25Å; L1304-V1306 PolarHBondContact O-N 2.93Å; L1304-V1306 VanDerWaalsContact O-N 3.14Å; V1306-G1309 WeakPolarHBondContact CG1-O 3.35Å
1307S84.2Confident77.5Confident3 Ų337.1 Ų37.12%0.02119%0.193CC..SBendtrans-109.4-36.2178.1-59.80000113.2I715 D782I715-S1307 WeakPolarHBondContact CD1-OG 3.44Å; D782-S1307 WeakPolarHBondContact OD2-CA 3.47Å; D782-S1307 WeakPolarHBondContact OD2-CB 3.27Å; D782-S1307 PolarHBondContact OD2-N 3.46Å
1308Y86.9Confident80.1Confident9 Ų929.2 Ų29.24%0.03516%0.156CC..SBendtrans-133.4-32.5-178.3-59.6-90.2000114.9I715 E716 D782 T783 R787 W1262 I1266I715-Y1308 HydrophobicContact CG2-CE2 3.92Å; E716-Y1308 WeakPolarHBondContact CA-OH 3.45Å; E716-Y1308 PolarHBondContact OE2-OH 3.24Å; D782-Y1308 PolarHBondContact OD2-N 3.18Å; T783-Y1308 HydrophobicContact CG2-CD2 4.47Å; T783-Y1308 HydrophobicContact CG2-CE2 4.02Å; R787-Y1308 HydrophobicContact CB-CD1 4.34Å; R787-Y1308 HydrophobicContact CB-CD2 4.29Å; R787-Y1308 HydrophobicContact CB-CE1 4.12Å; R787-Y1308 HydrophobicContact CB-CE2 4.07Å; R787-Y1308 HydrophobicContact CB-CG 4.42Å; R787-Y1308 HydrophobicContact CG-CE1 4.02Å; R787-Y1308 HydrophobicContact CG-CE2 4.39Å; W1262-Y1308 AromaticContact CD1-CD1 3.78Å; W1262-Y1308 AromaticContact NE1-CD1 3.58Å; I1266-Y1308 WeakPolarHBondContact CD1-O 3.38Å
1309G83.8Confident82.6Confident4 Ų423.8 Ų23.84%0.04112%0.122CC..  trans-66.1143.4-171.400000114.5D782 F786 H1270 V1306D782-G1309 WeakPolarHBondContact OD1-CA 3.35Å; D782-G1309 PolarHBondContact OD1-N 3.46Å; F786-G1309 VanDerWaalsContact CZ-CA 3.42Å; H1270-G1309 PolarHBondContact NE2-O 2.69Å; V1306-G1309 WeakPolarHBondContact CG1-O 3.35Å
1310H90.5Very high84.6Confident0 Ų018 Ų180%09%0.091CC..  trans-158.8151.8170.1-174.3-105.7000109.6I1266 L1269 H1270 I1273 D1275 L1312 L1313 R1314I1266-H1310 HydrophobicContact CD1-CB 4.18Å; L1269-H1310 VanDerWaalsContact C-NE2 3.33Å; L1269-H1310 PolarHBondContact O-NE2 2.88Å; H1270-H1310 AromaticContact CD2-CD2 3.62Å; H1270-H1310 AromaticContact NE2-CD2 3.63Å; I1273-H1310 VanDerWaalsContact C-NE2 3.26Å; I1273-H1310 WeakPolarHBondContact CB-NE2 3.37Å; I1273-H1310 WeakPolarHBondContact CD1-CE1 3.47Å; I1273-H1310 PolarHBondContact O-NE2 3.24Å; D1275-H1310 VanDerWaalsContact OD2-CA 3.3Å; D1275-H1310 WeakPolarHBondContact OD2-CA 3.47Å; H1310-L1312 VanDerWaalsContact C-N 3.28Å; H1310-L1312 WeakPolarHBondContact CE1-CD1 3.5Å; H1310-L1312 WeakPolarHBondContact CE1-CG 3.25Å; H1310-L1312 PolarHBondContact ND1-N 3.43Å; H1310-L1312 PolarHBondContact O-N 3.3Å; H1310-L1313 PolarHBondContact O-N 3.03Å; H1310-R1314 PolarHBondContact O-N 2.87Å; H1310-R1314 VanDerWaalsContact O-N 3.12Å
1311L90Very high86.3Confident0 Ų012.2 Ų12.20%07%0.066CC..Hα-helixtrans-47-48177.5179.162.9000112.8L1190 D1191 I1273 D1275 L1313 R1314 L1315L1190-L1311 HydrophobicContact CB-CD1 4.29Å; L1190-L1311 HydrophobicContact CB-CD2 4.28Å; D1191-L1311 HydrophobicContact CB-CD1 4.12Å; D1191-L1311 VanDerWaalsContact OD1-CD1 3.24Å; D1191-L1311 WeakPolarHBondContact OD1-CD1 3.5Å; I1273-L1311 HydrophobicContact CG2-CD2 4.05Å; D1275-L1311 PolarHBondContact OD2-N 3.17Å; L1311-L1313 PolarHBondContact O-N 3.39Å; L1311-R1314 WeakPolarHBondContact O-CA 3.48Å; L1311-R1314 PolarHBondContact O-N 3.43Å; L1311-L1315 HydrophobicContact CD1-CD2 4.49Å; L1311-L1315 HydrophobicContact CD1-CG 4.39Å; L1311-L1315 HydrophobicContact CG-CD1 4.34Å; L1311-L1315 HydrophobicContact CG-CG 4.48Å; L1311-L1315 WeakPolarHBondContact O-CG 3.5Å; L1311-L1315 PolarHBondContact O-N 3.07Å
1312L91.4Very high87.8Confident0 Ų010.7 Ų10.70%06%0.056CC..Hα-helixtrans-61.1-29.3-176.9-66.5176000113.4I1225 I1229 L1232 L1269 I1273 H1310 L1315 L1346I1225-L1312 HydrophobicContact CG2-CD2 4.28Å; I1229-L1312 HydrophobicContact CG1-CD2 4.23Å; L1232-L1312 HydrophobicContact CD1-CB 4.36Å; L1232-L1312 HydrophobicContact CD1-CD1 3.85Å; L1269-L1312 HydrophobicContact CD2-CD1 4.06Å; I1273-L1312 HydrophobicContact CD1-CD2 4.47Å; I1273-L1312 HydrophobicContact CD1-CG 4.49Å; H1310-L1312 VanDerWaalsContact C-N 3.28Å; H1310-L1312 WeakPolarHBondContact CE1-CD1 3.5Å; H1310-L1312 WeakPolarHBondContact CE1-CG 3.25Å; H1310-L1312 PolarHBondContact ND1-N 3.43Å; H1310-L1312 PolarHBondContact O-N 3.3Å; L1312-L1315 HydrophobicContact CD2-CD1 4.37Å; L1312-L1346 HydrophobicContact CB-CD2 3.99Å; L1312-L1346 HydrophobicContact CD2-CD2 4.37Å
1313L90.3Very high89.1Confident12 Ų128.1 Ų8.16%0.0634%0.04CC..Hα-helixtrans-81.4-31.9173.7-65-176.9000112F786 L1257 W1262 H1310 L1311 L1315 L1316 Y1349F786-L1313 HydrophobicContact CD1-CB 3.89Å; F786-L1313 HydrophobicContact CD1-CD1 4.04Å; F786-L1313 HydrophobicContact CE1-CB 3.67Å; F786-L1313 HydrophobicContact CE1-CD1 4.49Å; L1257-L1313 HydrophobicContact CD2-CD1 4.06Å; W1262-L1313 HydrophobicContact CH2-CD1 4Å; W1262-L1313 HydrophobicContact CZ2-CD1 3.73Å; H1310-L1313 PolarHBondContact O-N 3.03Å; L1311-L1313 PolarHBondContact O-N 3.39Å; L1313-L1315 VanDerWaalsContact C-N 3.26Å; L1313-L1315 PolarHBondContact O-N 3.38Å; L1313-L1316 HydrophobicContact CD2-CD1 4.16Å; L1313-L1316 PolarHBondContact O-N 2.6Å; L1313-Y1349 HydrophobicContact CD2-CG 4.19Å
1314R91Very high89.6Confident28 Ų285 Ų511%0.1063%0.025CC..Hα-helixtrans-67-27.6174.6-67.8-156.3-55.8-74.8-8.3113.3F786 W845 D1191 D1275 H1310 L1311 L1316 P1317F786-R1314 HydrophobicContact CE1-CG 3.94Å; F786-R1314 HydrophobicContact CZ-CG 3.58Å; W845-R1314 HydrophobicContact CD2-CG 3.92Å; W845-R1314 HydrophobicContact CG-CB 4.45Å; W845-R1314 HydrophobicContact CG-CG 4.01Å; W845-R1314 HydrophobicContact CZ2-CG 4.3Å; W845-R1314 VanDerWaalsContact NE1-CA 3.3Å; W845-R1314 PolarHBondContact NE1-O 2.89Å; D1191-R1314 HydrophobicContact CB-CB 4.28Å; D1191-R1314 IonicContact OD1-CZ 2.66Å; D1191-R1314 IonicContact OD1-NE 2.7Å; D1191-R1314 IonicContact OD1-NH2 2.7Å; D1191-R1314 PolarHBondContact OD1-NH2 2.81Å; D1191-R1314 VanDerWaalsContact OD1-NH2 3.13Å; D1191-R1314 IonicContact OD2-CZ 2.68Å; D1191-R1314 IonicContact OD2-NE 3.17Å; D1191-R1314 PolarHBondContact OD2-NE 3.39Å; D1191-R1314 IonicContact OD2-NH2 2.76Å; D1275-R1314 IonicContact OD1-CZ 3.8Å; D1275-R1314 IonicContact OD1-NH1 2.7Å; D1275-R1314 PolarHBondContact OD1-NH1 2.93Å; D1275-R1314 IonicContact OD1-NH2 3.11Å; D1275-R1314 PolarHBondContact OD1-NH2 3.11Å; D1275-R1314 IonicContact OD2-CZ 3.91Å; D1275-R1314 IonicContact OD2-NH1 3.96Å; D1275-R1314 PolarHBondContact OD2-NH1 3.48Å; D1275-R1314 IonicContact OD2-NH2 2.69Å; H1310-R1314 PolarHBondContact O-N 2.87Å; H1310-R1314 VanDerWaalsContact O-N 3.12Å; L1311-R1314 WeakPolarHBondContact O-CA 3.48Å; L1311-R1314 PolarHBondContact O-N 3.43Å; R1314-L1316 VanDerWaalsContact C-N 3.31Å; R1314-L1316 PolarHBondContact O-N 2.94Å; R1314-P1317 WeakPolarHBondContact O-CD 3.48Å
1315L92.4Very high89.9Confident0 Ų05 Ų50%03%0.025CC..THydrogen-bonded Turntrans-68.8-21.4176.6-66.7173000113.9L1190 D1191 L1194 F1219 L1311 L1312 L1313 L1318 L1319L1190-L1315 HydrophobicContact CD2-CD1 4.14Å; L1190-L1315 HydrophobicContact CD2-CD2 4.22Å; L1190-L1315 HydrophobicContact CG-CD2 4.09Å; D1191-L1315 HydrophobicContact CB-CD2 4.08Å; L1194-L1315 HydrophobicContact CD1-CD2 3.75Å; F1219-L1315 HydrophobicContact CE1-CD1 3.97Å; F1219-L1315 HydrophobicContact CZ-CD1 4.03Å; F1219-L1315 HydrophobicContact CZ-CD2 4.42Å; L1311-L1315 HydrophobicContact CD1-CD2 4.49Å; L1311-L1315 HydrophobicContact CD1-CG 4.39Å; L1311-L1315 HydrophobicContact CG-CD1 4.34Å; L1311-L1315 HydrophobicContact CG-CG 4.48Å; L1311-L1315 WeakPolarHBondContact O-CG 3.5Å; L1311-L1315 PolarHBondContact O-N 3.07Å; L1312-L1315 HydrophobicContact CD2-CD1 4.37Å; L1313-L1315 VanDerWaalsContact C-N 3.26Å; L1313-L1315 PolarHBondContact O-N 3.38Å; L1315-L1318 WeakPolarHBondContact O-CB 3.37Å; L1315-L1318 PolarHBondContact O-N 2.94Å; L1315-L1319 WeakPolarHBondContact O-CG 3.38Å; L1315-L1319 PolarHBondContact O-N 3.48Å
1316L92Very high90.2Very high11 Ų114.8 Ų4.86%0.0582%0.024CC..Hα-helixtrans-57-52.4-174.9-76.1170.3000113.7L1313 R1314 L1318 L1319 E1320 L1346 F1347 H1350L1313-L1316 HydrophobicContact CD2-CD1 4.16Å; L1313-L1316 PolarHBondContact O-N 2.6Å; R1314-L1316 VanDerWaalsContact C-N 3.31Å; R1314-L1316 PolarHBondContact O-N 2.94Å; L1316-L1318 PolarHBondContact O-N 3.32Å; L1316-L1318 VanDerWaalsContact O-N 3.16Å; L1316-L1319 PolarHBondContact O-N 3.44Å; L1316-E1320 PolarHBondContact O-N 3.17Å; L1316-L1346 HydrophobicContact CD2-CB 4.23Å; L1316-F1347 HydrophobicContact CD2-CD1 4.36Å; L1316-H1350 HydrophobicContact CD1-CB 4.47Å; L1316-H1350 HydrophobicContact CD2-CB 4.43Å
1317P90.2Very high90.2Very high1 Ų14.6 Ų4.61%0.0062%0.022CC..Hα-helixtrans-56.3-27.7173.2-29.736.8000115.3I848 K849 R852 R1314I848-P1317 HydrophobicContact CG2-CB 3.95Å; K849-P1317 HydrophobicContact CD-CG 4.04Å; R852-P1317 HydrophobicContact CG-CB 4.09Å; R1314-P1317 WeakPolarHBondContact O-CD 3.48Å
1318L92.8Very high90.2Very high7 Ų75.8 Ų5.84%0.0373%0.028CC..Hα-helixtrans-84-36179.8-59.6174.4000111.2F986 D1191 L1194 L1195 L1315 L1316 E1320 V1321 V1322F986-L1318 HydrophobicContact CE2-CD2 4.02Å; D1191-L1318 HydrophobicContact CB-CD1 3.79Å; D1191-L1318 WeakPolarHBondContact O-CD1 3.45Å; L1194-L1318 HydrophobicContact CB-CD1 4.15Å; L1195-L1318 HydrophobicContact CB-CD2 4.23Å; L1195-L1318 HydrophobicContact CD1-CD2 4.26Å; L1315-L1318 WeakPolarHBondContact O-CB 3.37Å; L1315-L1318 PolarHBondContact O-N 2.94Å; L1316-L1318 PolarHBondContact O-N 3.32Å; L1316-L1318 VanDerWaalsContact O-N 3.16Å; L1318-E1320 VanDerWaalsContact C-N 3.25Å; L1318-E1320 PolarHBondContact O-N 3.09Å; L1318-V1321 WeakPolarHBondContact O-CB 3.48Å; L1318-V1321 PolarHBondContact O-N 3.09Å; L1318-V1322 WeakPolarHBondContact O-CG2 3.48Å; L1318-V1322 PolarHBondContact O-N 3.01Å
1319L93Very high90Very high1 Ų17.2 Ų7.21%0.0054%0.039CC..Hα-helixtrans-60.6-34.2173.8-74.8173.4000112.2F1219 L1315 L1316 V1321 V1322 I1323 F1339 I1343 L1346 F1347F1219-L1319 HydrophobicContact CE1-CD1 4.44Å; F1219-L1319 HydrophobicContact CE1-CD2 3.9Å; F1219-L1319 HydrophobicContact CE2-CD2 3.98Å; F1219-L1319 HydrophobicContact CZ-CD2 3.6Å; F1219-L1319 HydrophobicContact CZ-CG 4.28Å; L1315-L1319 WeakPolarHBondContact O-CG 3.38Å; L1315-L1319 PolarHBondContact O-N 3.48Å; L1316-L1319 PolarHBondContact O-N 3.44Å; L1319-V1321 VanDerWaalsContact C-N 3.31Å; L1319-V1321 PolarHBondContact O-N 3.43Å; L1319-V1322 PolarHBondContact O-N 3.49Å; L1319-I1323 WeakPolarHBondContact O-CB 3.38Å; L1319-I1323 WeakPolarHBondContact O-CG1 3.26Å; L1319-I1323 PolarHBondContact O-N 3.18Å; L1319-F1339 HydrophobicContact CD2-CZ 4.03Å; L1319-I1343 HydrophobicContact CD2-CD1 3.93Å; L1319-I1343 HydrophobicContact CD2-CG2 4.28Å; L1319-L1346 HydrophobicContact CD1-CD1 3.9Å; L1319-F1347 HydrophobicContact CB-CZ 4.19Å
1320E91.7Very high89.8Confident6 Ų612 Ų123%0.0286%0.06CC..Hα-helixtrans-58.5-42.6171.1-64.9171.7-139.100112R852 L1316 L1318 M1324 H1350 V1356R852-E1320 IonicContact CZ-OE2 3.36Å; R852-E1320 IonicContact NE-OE2 2.62Å; R852-E1320 PolarHBondContact NE-OE2 3.26Å; R852-E1320 IonicContact NH2-OE2 3.63Å; R852-E1320 PolarHBondContact NH2-OE2 3.21Å; L1316-E1320 PolarHBondContact O-N 3.17Å; L1318-E1320 VanDerWaalsContact C-N 3.25Å; L1318-E1320 PolarHBondContact O-N 3.09Å; E1320-M1324 PolarHBondContact O-N 2.72Å; E1320-M1324 VanDerWaalsContact O-N 3.14Å; E1320-H1350 IonicContact OE1-NE2 3.25Å; E1320-V1356 HydrophobicContact CG-CG1 4Å; E1320-V1356 HydrophobicContact CG-CG2 4.17Å
1321V91.2Very high89.6Confident0 Ų012.3 Ų12.30%06%0.062CC..Hα-helixtrans-72.8-35.9178.5-174.30000111.7F986 Y989 L1032 L1198 M1199 L1318 L1319 M1324 Q1325F986-V1321 HydrophobicContact CE2-CG2 3.64Å; F986-V1321 HydrophobicContact CZ-CG2 4.02Å; Y989-V1321 HydrophobicContact CD1-CG2 4.41Å; Y989-V1321 HydrophobicContact CE1-CG1 4.2Å; Y989-V1321 HydrophobicContact CE1-CG2 3.95Å; L1032-V1321 HydrophobicContact CD1-CG1 3.63Å; L1198-V1321 HydrophobicContact CD1-CB 4.32Å; L1198-V1321 HydrophobicContact CD1-CG1 4.16Å; M1199-V1321 HydrophobicContact CE-CG1 3.83Å; L1318-V1321 WeakPolarHBondContact O-CB 3.48Å; L1318-V1321 PolarHBondContact O-N 3.09Å; L1319-V1321 VanDerWaalsContact C-N 3.31Å; L1319-V1321 PolarHBondContact O-N 3.43Å; V1321-M1324 WeakPolarHBondContact O-CB 3.4Å; V1321-M1324 PolarHBondContact O-N 2.85Å; V1321-Q1325 PolarHBondContact O-N 3.46Å
1322V92.7Very high89.6Confident1 Ų113.1 Ų13.11%0.0067%0.067CC..Hα-helixtrans-62.3-46.4172.8170.80000111.3L1198 I1215 L1318 L1319 M1324 Q1325 F1326 F1339L1198-V1322 HydrophobicContact CD1-CG2 3.96Å; I1215-V1322 HydrophobicContact CD1-CG2 4.29Å; I1215-V1322 HydrophobicContact CG2-CG1 3.68Å; I1215-V1322 HydrophobicContact CG2-CG2 4.23Å; L1318-V1322 WeakPolarHBondContact O-CG2 3.48Å; L1318-V1322 PolarHBondContact O-N 3.01Å; L1319-V1322 PolarHBondContact O-N 3.49Å; V1322-M1324 PolarHBondContact O-N 3.19Å; V1322-Q1325 WeakPolarHBondContact O-CB 3.45Å; V1322-Q1325 PolarHBondContact O-N 3.33Å; V1322-Q1325 VanDerWaalsContact O-N 3.13Å; V1322-F1326 HydrophobicContact CG1-CD1 4.11Å; V1322-F1326 HydrophobicContact CG1-CD2 4.36Å; V1322-F1326 HydrophobicContact CG1-CE1 3.73Å; V1322-F1326 HydrophobicContact CG1-CE2 4.01Å; V1322-F1326 HydrophobicContact CG1-CG 4.42Å; V1322-F1326 HydrophobicContact CG1-CZ 3.68Å; V1322-F1326 WeakPolarHBondContact O-CD1 3.37Å; V1322-F1326 WeakPolarHBondContact O-CG 3.46Å; V1322-F1326 PolarHBondContact O-N 2.83Å; V1322-F1339 HydrophobicContact CG1-CE1 4.11Å; V1322-F1339 HydrophobicContact CG1-CE2 4.37Å; V1322-F1339 HydrophobicContact CG1-CZ 3.57Å
1323I92.5Very high89.6Confident0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-57.9-41.3175.5-75.2176000110.6L1319 F1326 L1327 F1347 V1360 L1418 I1422L1319-I1323 WeakPolarHBondContact O-CB 3.38Å; L1319-I1323 WeakPolarHBondContact O-CG1 3.26Å; L1319-I1323 PolarHBondContact O-N 3.18Å; I1323-F1326 PolarHBondContact O-N 2.97Å; I1323-L1327 HydrophobicContact CG2-CD1 4.28Å; I1323-L1327 PolarHBondContact O-N 3.28Å; I1323-F1347 HydrophobicContact CD1-CE2 3.84Å; I1323-F1347 HydrophobicContact CD1-CZ 3.53Å; I1323-V1360 HydrophobicContact CG2-CG1 3.9Å; I1323-L1418 HydrophobicContact CB-CD2 4.39Å; I1323-L1418 HydrophobicContact CD1-CD2 4.39Å; I1323-L1418 HydrophobicContact CG1-CD2 3.97Å; I1323-L1418 HydrophobicContact CG2-CD1 4.13Å; I1323-L1418 HydrophobicContact CG2-CD2 3.88Å; I1323-L1418 HydrophobicContact CG2-CG 4.44Å; I1323-I1422 HydrophobicContact CD1-CD1 3.98Å; I1323-I1422 HydrophobicContact CD1-CG1 4.03Å
1324M89.2Confident89.6Confident1 Ų112.9 Ų12.91%0.0057%0.066CC..Hα-helixtrans-62.7-42.9174.4-99.8-72.4158.100113.7Y989 L1032 R1036 E1320 V1321 V1322 F1326 L1327 M1328 V1360 D1363Y989-M1324 WeakPolarHBondContact OH-CB 3.12Å; Y989-M1324 VanDerWaalsContact OH-CG 3.26Å; Y989-M1324 WeakPolarHBondContact OH-CG 3.26Å; L1032-M1324 HydrophobicContact CD2-CB 4.42Å; R1036-M1324 PolarHBondContact NH2-SD 3.01Å; E1320-M1324 PolarHBondContact O-N 2.72Å; E1320-M1324 VanDerWaalsContact O-N 3.14Å; V1321-M1324 WeakPolarHBondContact O-CB 3.4Å; V1321-M1324 PolarHBondContact O-N 2.85Å; V1322-M1324 PolarHBondContact O-N 3.19Å; M1324-F1326 VanDerWaalsContact C-N 3.34Å; M1324-L1327 HydrophobicContact CE-CD1 4.42Å; M1324-M1328 VanDerWaalsContact O-CG 3.3Å; M1324-M1328 WeakPolarHBondContact O-CG 3.41Å; M1324-M1328 PolarHBondContact O-N 3.06Å; M1324-M1328 VanDerWaalsContact O-N 3.15Å; M1324-V1360 VanDerWaalsContact CE-CA 3.44Å; M1324-V1360 HydrophobicContact CE-CB 4.1Å; M1324-V1360 HydrophobicContact CE-CG1 4.07Å; M1324-V1360 HydrophobicContact CE-CG2 4.27Å; M1324-V1360 WeakPolarHBondContact CE-O 3.42Å; M1324-V1360 HydrophobicContact CG-CG2 4.41Å; M1324-D1363 HydrophobicContact CE-CB 3.8Å; M1324-D1363 WeakPolarHBondContact CE-OD2 3.31Å
1325Q90Very high89.6Confident12 Ų1211.8 Ų11.86%0.0566%0.062CC..Hα-helixtrans-62.1-42.8172.6-176.2166.5-60.800111.3L1032 L1208 N1212 V1321 V1322 L1327 M1328 C1329L1032-Q1325 HydrophobicContact CD2-CB 4.26Å; L1208-Q1325 HydrophobicContact CD1-CG 4.43Å; N1212-Q1325 PolarHBondContact OD1-NE2 2.83Å; V1321-Q1325 PolarHBondContact O-N 3.46Å; V1322-Q1325 WeakPolarHBondContact O-CB 3.45Å; V1322-Q1325 PolarHBondContact O-N 3.33Å; V1322-Q1325 VanDerWaalsContact O-N 3.13Å; Q1325-L1327 VanDerWaalsContact C-N 3.35Å; Q1325-L1327 PolarHBondContact O-N 2.97Å; Q1325-M1328 PolarHBondContact O-N 3.02Å; Q1325-C1329 WeakPolarHBondContact O-CB 3.44Å; Q1325-C1329 PolarHBondContact O-N 2.96Å; Q1325-C1329 PolarHBondContact O-SG 3.1Å
1326F91.1Very high89.5Confident0 Ų011.8 Ų11.80%06%0.062CC..Hα-helixtrans-65.9-37.5-177.4-73.910.8000112.5N1212 I1215 V1216 V1322 I1323 M1324 E1330 V1331 L1336 F1339N1212-F1326 HydrophobicContact CB-CE1 4.1Å; N1212-F1326 WeakPolarHBondContact OD1-CE1 3.49Å; I1215-F1326 HydrophobicContact CB-CZ 4.32Å; I1215-F1326 HydrophobicContact CD1-CE1 4.48Å; I1215-F1326 HydrophobicContact CG2-CE1 4.45Å; I1215-F1326 HydrophobicContact CG2-CZ 3.94Å; V1216-F1326 HydrophobicContact CG2-CE2 4.03Å; V1216-F1326 HydrophobicContact CG2-CZ 3.83Å; V1322-F1326 HydrophobicContact CG1-CD1 4.11Å; V1322-F1326 HydrophobicContact CG1-CD2 4.36Å; V1322-F1326 HydrophobicContact CG1-CE1 3.73Å; V1322-F1326 HydrophobicContact CG1-CE2 4.01Å; V1322-F1326 HydrophobicContact CG1-CG 4.42Å; V1322-F1326 HydrophobicContact CG1-CZ 3.68Å; V1322-F1326 WeakPolarHBondContact O-CD1 3.37Å; V1322-F1326 WeakPolarHBondContact O-CG 3.46Å; V1322-F1326 PolarHBondContact O-N 2.83Å; I1323-F1326 PolarHBondContact O-N 2.97Å; M1324-F1326 VanDerWaalsContact C-N 3.34Å; F1326-E1330 PolarHBondContact O-N 3.41Å; F1326-V1331 HydrophobicContact CB-CB 4.35Å; F1326-V1331 HydrophobicContact CB-CG2 3.96Å; F1326-V1331 HydrophobicContact CD1-CG2 3.81Å; F1326-V1331 HydrophobicContact CE1-CG2 4.46Å; F1326-V1331 HydrophobicContact CG-CB 4.39Å; F1326-V1331 HydrophobicContact CG-CG2 3.88Å; F1326-V1331 PolarHBondContact O-N 3.43Å; F1326-L1336 HydrophobicContact CD2-CD1 3.9Å; F1326-F1339 HydrophobicContact CD2-CD1 4.02Å; F1326-F1339 AromaticContact CD2-CE1 3.97Å; F1326-F1339 HydrophobicContact CD2-CE1 3.97Å; F1326-F1339 AromaticContact CE2-CD1 3.5Å; F1326-F1339 HydrophobicContact CE2-CD1 3.5Å; F1326-F1339 HydrophobicContact CE2-CD2 4.23Å; F1326-F1339 AromaticContact CE2-CE1 3.53Å; F1326-F1339 HydrophobicContact CE2-CE1 3.53Å; F1326-F1339 HydrophobicContact CE2-CE2 4.27Å; F1326-F1339 AromaticContact CE2-CG 3.85Å; F1326-F1339 HydrophobicContact CE2-CG 3.85Å; F1326-F1339 AromaticContact CE2-CZ 3.94Å; F1326-F1339 HydrophobicContact CE2-CZ 3.94Å; F1326-F1339 HydrophobicContact CZ-CE1 4.4Å; F1326-F1339 HydrophobicContact CZ-CZ 4.38Å
1327L87.5Confident89.5Confident1 Ų111.3 Ų11.31%0.0056%0.06CC..Hα-helixtrans-60-50.3170.1-82.2164.8000112.2I1323 M1324 Q1325 C1329 V1360 H1364 L1414 L1418I1323-L1327 HydrophobicContact CG2-CD1 4.28Å; I1323-L1327 PolarHBondContact O-N 3.28Å; M1324-L1327 HydrophobicContact CE-CD1 4.42Å; Q1325-L1327 VanDerWaalsContact C-N 3.35Å; Q1325-L1327 PolarHBondContact O-N 2.97Å; L1327-C1329 PolarHBondContact O-N 3.13Å; L1327-V1360 HydrophobicContact CD1-CG1 3.34Å; L1327-H1364 HydrophobicContact CD1-CB 4.35Å; L1327-L1414 HydrophobicContact CD2-CD2 4.17Å; L1327-L1414 HydrophobicContact CD2-CG 3.99Å; L1327-L1418 HydrophobicContact CD1-CD1 3.96Å; L1327-L1418 HydrophobicContact CD2-CD1 3.59Å; L1327-L1418 HydrophobicContact CG-CD1 3.48Å; L1327-L1418 VanDerWaalsContact CG-CD1 3.48Å
1328M83.5Confident89.6Confident28 Ų2812.2 Ų12.214%0.1387%0.065CC..Hα-helixtrans-71.5-14.9-176.4-67-177.688.400115.1L1032 K1035 R1036 M1324 Q1325L1032-M1328 HydrophobicContact CD2-SD 3.82Å; K1035-M1328 HydrophobicContact CB-CE 3.69Å; K1035-M1328 HydrophobicContact CD-CE 3.53Å; K1035-M1328 HydrophobicContact CG-CE 4.23Å; R1036-M1328 PolarHBondContact NH1-SD 3.16Å; R1036-M1328 PolarHBondContact NH2-SD 3.47Å; M1324-M1328 VanDerWaalsContact O-CG 3.3Å; M1324-M1328 WeakPolarHBondContact O-CG 3.41Å; M1324-M1328 PolarHBondContact O-N 3.06Å; M1324-M1328 VanDerWaalsContact O-N 3.15Å; Q1325-M1328 PolarHBondContact O-N 3.02Å
1329C82.5Confident89.6Confident39 Ų3911.9 Ų11.926%0.2646%0.063SC..THydrogen-bonded Turntrans-107-1-176.6-59.40000113.7L1208 Q1325 L1327 V1331L1208-C1329 WeakPolarHBondContact CD2-SG 3.42Å; Q1325-C1329 WeakPolarHBondContact O-CB 3.44Å; Q1325-C1329 PolarHBondContact O-N 2.96Å; Q1325-C1329 PolarHBondContact O-SG 3.1Å; L1327-C1329 PolarHBondContact O-N 3.13Å; C1329-V1331 VanDerWaalsContact C-N 3.32Å; C1329-V1331 HydrophobicContact CB-CG2 4.14Å; C1329-V1331 PolarHBondContact O-N 3.08Å
1330E80.5Confident89.6Confident105 Ų10512.2 Ų12.249%0.4917%0.066SC..THydrogen-bonded Turntrans46.552.3-172.6-64.6-178.1-154.400112.4F1326F1326-E1330 PolarHBondContact O-N 3.41Å
1331V86.5Confident89.6Confident5 Ų516.2 Ų16.23%0.038%0.081CC..  trans-56.9130.4-176.3171.90000110.7N1212 F1326 C1329 F1333 L1335N1212-V1331 HydrophobicContact CB-CG2 4.32Å; N1212-V1331 WeakPolarHBondContact ND2-CG2 3.37Å; F1326-V1331 HydrophobicContact CB-CB 4.35Å; F1326-V1331 HydrophobicContact CB-CG2 3.96Å; F1326-V1331 HydrophobicContact CD1-CG2 3.81Å; F1326-V1331 HydrophobicContact CE1-CG2 4.46Å; F1326-V1331 HydrophobicContact CG-CB 4.39Å; F1326-V1331 HydrophobicContact CG-CG2 3.88Å; F1326-V1331 PolarHBondContact O-N 3.43Å; C1329-V1331 VanDerWaalsContact C-N 3.32Å; C1329-V1331 HydrophobicContact CB-CG2 4.14Å; C1329-V1331 PolarHBondContact O-N 3.08Å; V1331-F1333 PolarHBondContact O-N 2.83Å; V1331-L1335 HydrophobicContact CG1-CB 3.93Å; V1331-L1335 HydrophobicContact CG1-CD1 4.34Å
1332P88.8Confident89.6Confident17 Ų1717.4 Ų17.411%0.119%0.09CC..  trans-48.2135.5178.7-32.136.3000113.2V1334 L1335 L1336 P1504 E1508P1332-V1334 HydrophobicContact CB-CG2 3.92Å; P1332-V1334 PolarHBondContact O-N 3.16Å; P1332-V1334 VanDerWaalsContact O-N 3.14Å; P1332-L1335 HydrophobicContact CB-CG 4.47Å; P1332-L1335 WeakPolarHBondContact O-CB 3.42Å; P1332-L1335 PolarHBondContact O-N 3.41Å; P1332-L1336 PolarHBondContact O-N 2.92Å; P1332-P1504 HydrophobicContact CB-CB 4.17Å; P1332-P1504 HydrophobicContact CG-CB 4.23Å; P1332-E1508 WeakPolarHBondContact CA-OE2 3.42Å; P1332-E1508 HydrophobicContact CB-CB 4.2Å; P1332-E1508 HydrophobicContact CB-CG 4.15Å; P1332-E1508 WeakPolarHBondContact CB-OE2 3.15Å
1333F91.6Very high89.6Confident6 Ų617.3 Ų17.33%0.0269%0.09CC..Hα-helixtrans-56.9-33.3-179.4-66.5-67.6000112.1V1331 L1335 L1336 I1337 V1410 L1413 L1414 L1417 E1508 F1511 R1512V1331-F1333 PolarHBondContact O-N 2.83Å; F1333-L1335 PolarHBondContact O-N 3.37Å; F1333-L1336 HydrophobicContact CD1-CD2 4.42Å; F1333-L1336 PolarHBondContact O-N 2.97Å; F1333-I1337 HydrophobicContact CB-CD1 4.14Å; F1333-I1337 WeakPolarHBondContact O-CB 3.28Å; F1333-I1337 VanDerWaalsContact O-CG1 3.26Å; F1333-I1337 WeakPolarHBondContact O-CG1 3.49Å; F1333-I1337 PolarHBondContact O-N 3.39Å; F1333-V1410 HydrophobicContact CE2-CG1 3.9Å; F1333-V1410 HydrophobicContact CZ-CG1 3.93Å; F1333-V1410 WeakPolarHBondContact CZ-O 3.43Å; F1333-L1413 HydrophobicContact CD1-CD2 4.36Å; F1333-L1413 HydrophobicContact CE1-CB 4.32Å; F1333-L1413 HydrophobicContact CE1-CD2 3.84Å; F1333-L1413 HydrophobicContact CE1-CG 3.87Å; F1333-L1413 HydrophobicContact CE2-CD2 4.32Å; F1333-L1413 HydrophobicContact CZ-CB 4.26Å; F1333-L1413 HydrophobicContact CZ-CD2 3.82Å; F1333-L1413 HydrophobicContact CZ-CG 4.13Å; F1333-L1414 HydrophobicContact CE1-CB 4.07Å; F1333-L1414 HydrophobicContact CZ-CB 4.44Å; F1333-L1417 HydrophobicContact CD1-CD1 3.51Å; F1333-L1417 HydrophobicContact CE1-CD1 3.83Å; F1333-E1508 WeakPolarHBondContact CD2-OE1 3.49Å; F1333-E1508 PolarHBondContact N-OE2 3.35Å; F1333-F1511 HydrophobicContact CB-CD1 3.65Å; F1333-F1511 HydrophobicContact CB-CD2 4.47Å; F1333-F1511 HydrophobicContact CB-CE1 3.5Å; F1333-F1511 VanDerWaalsContact CB-CE1 3.5Å; F1333-F1511 HydrophobicContact CB-CE2 4.32Å; F1333-F1511 HydrophobicContact CB-CG 4.16Å; F1333-F1511 HydrophobicContact CB-CZ 3.86Å; F1333-F1511 HydrophobicContact CD1-CE1 4.18Å; F1333-F1511 AromaticContact CD2-CD1 3.44Å; F1333-F1511 HydrophobicContact CD2-CD1 3.44Å; F1333-F1511 VanDerWaalsContact CD2-CD1 3.44Å; F1333-F1511 AromaticContact CD2-CE1 3.37Å; F1333-F1511 HydrophobicContact CD2-CE1 3.37Å; F1333-F1511 HydrophobicContact CD2-CZ 4.46Å; F1333-F1511 HydrophobicContact CE2-CD1 4.32Å; F1333-F1511 HydrophobicContact CE2-CE1 4.09Å; F1333-F1511 AromaticContact CG-CD1 3.79Å; F1333-F1511 HydrophobicContact CG-CD1 3.79Å; F1333-F1511 AromaticContact CG-CE1 3.42Å; F1333-F1511 HydrophobicContact CG-CE1 3.42Å; F1333-F1511 VanDerWaalsContact CG-CE1 3.42Å; F1333-F1511 HydrophobicContact CG-CZ 4.11Å; F1333-R1512 HydrophobicContact CD2-CG 4.49Å; F1333-R1512 HydrophobicContact CE2-CG 4.37Å
1334V90.1Very high89.5Confident1 Ų118 Ų181%0.00610%0.095CC..Hα-helixtrans-64.6-18176.4-590000114P1332 P1338 Y1472 I1475 I1500 P1504 F1507 F1511P1332-V1334 HydrophobicContact CB-CG2 3.92Å; P1332-V1334 PolarHBondContact O-N 3.16Å; P1332-V1334 VanDerWaalsContact O-N 3.14Å; V1334-P1338 WeakPolarHBondContact O-CD 3.43Å; V1334-P1338 WeakPolarHBondContact O-CG 3.33Å; V1334-Y1472 HydrophobicContact CB-CD2 4.5Å; V1334-Y1472 WeakPolarHBondContact O-CE2 3.25Å; V1334-I1475 HydrophobicContact CG1-CD1 4.35Å; V1334-I1500 HydrophobicContact CB-CG2 3.73Å; V1334-I1500 HydrophobicContact CG2-CG2 3.88Å; V1334-P1504 HydrophobicContact CG2-CB 3.77Å; V1334-F1507 HydrophobicContact CG1-CB 3.91Å; V1334-F1507 HydrophobicContact CG2-CB 4.39Å; V1334-F1511 HydrophobicContact CG1-CB 4.31Å
1335L90.8Very high89.6Confident5 Ų518.5 Ų18.53%0.02610%0.099CC..Hα-helixtrans-97.8-37.2169.2-60.9-177.2000112.1R1213 V1216 V1331 P1332 F1333 P1338 F1339 L1501 P1504R1213-L1335 HydrophobicContact CG-CD1 4.39Å; V1216-L1335 HydrophobicContact CG2-CB 4.3Å; V1331-L1335 HydrophobicContact CG1-CB 3.93Å; V1331-L1335 HydrophobicContact CG1-CD1 4.34Å; P1332-L1335 HydrophobicContact CB-CG 4.47Å; P1332-L1335 WeakPolarHBondContact O-CB 3.42Å; P1332-L1335 PolarHBondContact O-N 3.41Å; F1333-L1335 PolarHBondContact O-N 3.37Å; L1335-P1338 WeakPolarHBondContact O-CD 3.37Å; L1335-P1338 WeakPolarHBondContact O-CG 3.49Å; L1335-F1339 WeakPolarHBondContact O-CB 3.43Å; L1335-F1339 PolarHBondContact O-N 3.09Å; L1335-L1501 HydrophobicContact CD2-CG 4.48Å; L1335-P1504 HydrophobicContact CD1-CB 4.06Å; L1335-P1504 HydrophobicContact CD1-CG 4.09Å; L1335-P1504 HydrophobicContact CD2-CB 4.14Å; L1335-P1504 HydrophobicContact CG-CB 3.91Å; L1335-P1504 HydrophobicContact CG-CG 4.47Å
1336L91.9Very high89.6Confident0 Ų018 Ų180%010%0.096CC..Hα-helixtrans-68.9-44.2-177-178.468.3000113F1326 P1332 F1333 F1339 C1340 L1414 L1417 L1418F1326-L1336 HydrophobicContact CD2-CD1 3.9Å; P1332-L1336 PolarHBondContact O-N 2.92Å; F1333-L1336 HydrophobicContact CD1-CD2 4.42Å; F1333-L1336 PolarHBondContact O-N 2.97Å; L1336-F1339 PolarHBondContact O-N 2.97Å; L1336-C1340 WeakPolarHBondContact O-CB 3.33Å; L1336-C1340 PolarHBondContact O-N 2.62Å; L1336-C1340 PolarHBondContact O-SG 3.25Å; L1336-C1340 VanDerWaalsContact O-SG 3.41Å; L1336-L1414 HydrophobicContact CD2-CD1 3.37Å; L1336-L1417 HydrophobicContact CD2-CB 4.16Å; L1336-L1417 HydrophobicContact CD2-CD1 3.97Å; L1336-L1418 HydrophobicContact CD1-CD2 3.95Å
1337I92.4Very high89.6Confident2 Ų218 Ų181%0.0110%0.097CC..Hα-helixtrans-58.3-52.6-177.7-68.5165.3000112.1F1333 F1339 C1340 R1341 L1417 E1469 Y1472 F1511F1333-I1337 HydrophobicContact CB-CD1 4.14Å; F1333-I1337 WeakPolarHBondContact O-CB 3.28Å; F1333-I1337 VanDerWaalsContact O-CG1 3.26Å; F1333-I1337 WeakPolarHBondContact O-CG1 3.49Å; F1333-I1337 PolarHBondContact O-N 3.39Å; I1337-F1339 VanDerWaalsContact C-N 3.34Å; I1337-F1339 PolarHBondContact O-N 2.97Å; I1337-C1340 PolarHBondContact O-N 3.31Å; I1337-R1341 WeakPolarHBondContact O-CB 3.33Å; I1337-R1341 WeakPolarHBondContact O-CG 3.07Å; I1337-R1341 PolarHBondContact O-N 3.09Å; I1337-L1417 HydrophobicContact CG1-CD1 4.18Å; I1337-L1417 HydrophobicContact CG1-CD2 4.15Å; I1337-E1469 HydrophobicContact CG2-CG 4.24Å; I1337-Y1472 HydrophobicContact CB-CG 4.42Å; I1337-Y1472 HydrophobicContact CG2-CD1 4.17Å; I1337-Y1472 HydrophobicContact CG2-CG 4.01Å; I1337-F1511 HydrophobicContact CD1-CD2 4.45Å; I1337-F1511 HydrophobicContact CD1-CE2 3.52Å; I1337-F1511 HydrophobicContact CD1-CZ 3.74Å
1338P91.4Very high89.6Confident19 Ų1918.8 Ų18.812%0.12310%0.099CC..Hα-helixtrans-64.2-36.5177.324-33.4000112.7T1220 V1334 L1335 R1341 A1342 Y1472T1220-P1338 HydrophobicContact CG2-CB 4.22Å; V1334-P1338 WeakPolarHBondContact O-CD 3.43Å; V1334-P1338 WeakPolarHBondContact O-CG 3.33Å; L1335-P1338 WeakPolarHBondContact O-CD 3.37Å; L1335-P1338 WeakPolarHBondContact O-CG 3.49Å; P1338-R1341 PolarHBondContact O-N 3.24Å; P1338-A1342 WeakPolarHBondContact O-CB 3.48Å; P1338-A1342 PolarHBondContact O-N 3.44Å; P1338-Y1472 HydrophobicContact CG-CE2 4.08Å
1339F93.3Very high89.8Confident0 Ų017.9 Ų17.90%09%0.094CC..Hα-helixtrans-62.3-48.9174.3177-100.6000112.5I1215 V1216 F1219 L1319 V1322 F1326 L1335 L1336 I1337 R1341 A1342 I1343I1215-F1339 HydrophobicContact CG2-CE2 3.91Å; I1215-F1339 HydrophobicContact CG2-CZ 4.36Å; V1216-F1339 HydrophobicContact CG1-CB 4.45Å; V1216-F1339 HydrophobicContact CG2-CB 4.19Å; V1216-F1339 HydrophobicContact CG2-CD2 4.34Å; V1216-F1339 HydrophobicContact CG2-CG 4.42Å; F1219-F1339 HydrophobicContact CB-CD2 3.96Å; F1219-F1339 HydrophobicContact CB-CE2 3.93Å; F1219-F1339 AromaticContact CD2-CE2 3.79Å; F1219-F1339 HydrophobicContact CD2-CE2 3.79Å; F1219-F1339 HydrophobicContact CG-CD2 4.49Å; F1219-F1339 AromaticContact CG-CE2 3.96Å; F1219-F1339 HydrophobicContact CG-CE2 3.96Å; L1319-F1339 HydrophobicContact CD2-CZ 4.03Å; V1322-F1339 HydrophobicContact CG1-CE1 4.11Å; V1322-F1339 HydrophobicContact CG1-CE2 4.37Å; V1322-F1339 HydrophobicContact CG1-CZ 3.57Å; F1326-F1339 HydrophobicContact CD2-CD1 4.02Å; F1326-F1339 AromaticContact CD2-CE1 3.97Å; F1326-F1339 HydrophobicContact CD2-CE1 3.97Å; F1326-F1339 AromaticContact CE2-CD1 3.5Å; F1326-F1339 HydrophobicContact CE2-CD1 3.5Å; F1326-F1339 HydrophobicContact CE2-CD2 4.23Å; F1326-F1339 AromaticContact CE2-CE1 3.53Å; F1326-F1339 HydrophobicContact CE2-CE1 3.53Å; F1326-F1339 HydrophobicContact CE2-CE2 4.27Å; F1326-F1339 AromaticContact CE2-CG 3.85Å; F1326-F1339 HydrophobicContact CE2-CG 3.85Å; F1326-F1339 AromaticContact CE2-CZ 3.94Å; F1326-F1339 HydrophobicContact CE2-CZ 3.94Å; F1326-F1339 HydrophobicContact CZ-CE1 4.4Å; F1326-F1339 HydrophobicContact CZ-CZ 4.38Å; L1335-F1339 WeakPolarHBondContact O-CB 3.43Å; L1335-F1339 PolarHBondContact O-N 3.09Å; L1336-F1339 PolarHBondContact O-N 2.97Å; I1337-F1339 VanDerWaalsContact C-N 3.34Å; I1337-F1339 PolarHBondContact O-N 2.97Å; F1339-R1341 VanDerWaalsContact C-N 3.33Å; F1339-R1341 PolarHBondContact O-N 2.76Å; F1339-A1342 PolarHBondContact O-N 3.2Å; F1339-A1342 VanDerWaalsContact O-N 3.15Å; F1339-I1343 HydrophobicContact CD1-CD1 4.07Å; F1339-I1343 HydrophobicContact CD2-CG2 4.4Å; F1339-I1343 HydrophobicContact CE1-CD1 3.4Å; F1339-I1343 HydrophobicContact CE1-CG1 4.34Å; F1339-I1343 HydrophobicContact CE2-CD1 4.4Å; F1339-I1343 HydrophobicContact CE2-CG2 4.1Å; F1339-I1343 HydrophobicContact CZ-CD1 3.6Å; F1339-I1343 HydrophobicContact CZ-CG2 4.31Å; F1339-I1343 PolarHBondContact O-N 3.27Å
1340C93.1Very high90.1Very high9 Ų916.4 Ų16.46%0.0618%0.084CC..Hα-helixtrans-61-40176.8-77.20000112.3L1336 I1337 A1344 C1421L1336-C1340 WeakPolarHBondContact O-CB 3.33Å; L1336-C1340 PolarHBondContact O-N 2.62Å; L1336-C1340 PolarHBondContact O-SG 3.25Å; L1336-C1340 VanDerWaalsContact O-SG 3.41Å; I1337-C1340 PolarHBondContact O-N 3.31Å; C1340-A1344 VanDerWaalsContact O-CB 3.25Å; C1340-A1344 WeakPolarHBondContact O-CB 3.41Å; C1340-A1344 PolarHBondContact O-N 3.1Å; C1340-A1344 VanDerWaalsContact O-N 3.16Å; C1340-C1421 HydrophobicContact CB-CB 4.04Å; C1340-C1421 PolarHBondContact O-SG 3.06Å; C1340-C1421 VanDerWaalsContact O-SG 3.33Å
1341R91Very high90.2Very high90 Ų9012.2 Ų12.234%0.346%0.064SC..Hα-helixtrans-59.8-44173-79.9172.6161.7-178.9-9111.5I1337 P1338 F1339 E1469 D1473I1337-R1341 WeakPolarHBondContact O-CB 3.33Å; I1337-R1341 WeakPolarHBondContact O-CG 3.07Å; I1337-R1341 PolarHBondContact O-N 3.09Å; P1338-R1341 PolarHBondContact O-N 3.24Å; F1339-R1341 VanDerWaalsContact C-N 3.33Å; F1339-R1341 PolarHBondContact O-N 2.76Å; R1341-E1469 WeakPolarHBondContact CG-OE1 3.27Å; R1341-E1469 IonicContact CZ-OE1 3.79Å; R1341-E1469 IonicContact NE-OE1 2.69Å; R1341-E1469 PolarHBondContact NE-OE1 3.29Å; R1341-E1469 VanDerWaalsContact NH2-CB 3.3Å; R1341-E1469 IonicContact NH2-OE1 3.39Å; R1341-D1473 IonicContact CZ-OD1 2.78Å; R1341-D1473 IonicContact CZ-OD2 3.72Å; R1341-D1473 IonicContact NH1-OD1 2.73Å; R1341-D1473 PolarHBondContact NH1-OD1 2.98Å; R1341-D1473 IonicContact NH1-OD2 2.77Å; R1341-D1473 IonicContact NH2-OD1 3.18Å; R1341-D1473 PolarHBondContact NH2-OD1 3.01Å; R1341-D1473 IonicContact NH2-OD2 2.86Å; R1341-D1473 PolarHBondContact NH2-OD2 2.9Å
1342A90.8Very high90.1Very high24 Ų2412.6 Ų12.620%0.1986%0.064CC..Hα-helixtrans-68.2-47.1-178.700000113.2F1219 T1220 P1338 F1339 P1345F1219-A1342 WeakPolarHBondContact O-CB 3.21Å; T1220-A1342 HydrophobicContact CG2-CB 4.15Å; P1338-A1342 WeakPolarHBondContact O-CB 3.48Å; P1338-A1342 PolarHBondContact O-N 3.44Å; F1339-A1342 PolarHBondContact O-N 3.2Å; F1339-A1342 VanDerWaalsContact O-N 3.15Å; A1342-P1345 WeakPolarHBondContact O-CD 3.44Å
1343I93.1Very high90.1Very high0 Ų011.8 Ų11.80%06%0.059CC..Hα-helixtrans-88.9-17.2-17274.2172000115F1219 L1319 F1339 P1345 L1346 F1347 C1421F1219-I1343 HydrophobicContact CB-CG2 4.07Å; F1219-I1343 HydrophobicContact CD1-CG2 3.62Å; F1219-I1343 HydrophobicContact CE1-CG2 4.29Å; F1219-I1343 HydrophobicContact CG-CG2 3.97Å; L1319-I1343 HydrophobicContact CD2-CD1 3.93Å; L1319-I1343 HydrophobicContact CD2-CG2 4.28Å; F1339-I1343 HydrophobicContact CD1-CD1 4.07Å; F1339-I1343 HydrophobicContact CD2-CG2 4.4Å; F1339-I1343 HydrophobicContact CE1-CD1 3.4Å; F1339-I1343 HydrophobicContact CE1-CG1 4.34Å; F1339-I1343 HydrophobicContact CE2-CD1 4.4Å; F1339-I1343 HydrophobicContact CE2-CG2 4.1Å; F1339-I1343 HydrophobicContact CZ-CD1 3.6Å; F1339-I1343 HydrophobicContact CZ-CG2 4.31Å; F1339-I1343 PolarHBondContact O-N 3.27Å; I1343-P1345 VanDerWaalsContact C-N 3.28Å; I1343-P1345 VanDerWaalsContact O-N 3.09Å; I1343-L1346 WeakPolarHBondContact O-CB 3.39Å; I1343-L1346 PolarHBondContact O-N 3.02Å; I1343-F1347 HydrophobicContact CD1-CE2 3.75Å; I1343-F1347 HydrophobicContact CG1-CE2 4.12Å; I1343-C1421 VanDerWaalsContact CG1-SG 3.52Å
1344A91.2Very high90Very high13 Ų1311.8 Ų11.811%0.1076%0.059CC..Hα-helixtrans-50.7-34.6-177.900000115.4C1340 L1346 F1347 C1421C1340-A1344 VanDerWaalsContact O-CB 3.25Å; C1340-A1344 WeakPolarHBondContact O-CB 3.41Å; C1340-A1344 PolarHBondContact O-N 3.1Å; C1340-A1344 VanDerWaalsContact O-N 3.16Å; A1344-L1346 VanDerWaalsContact C-N 3.31Å; A1344-L1346 PolarHBondContact O-N 3.49Å; A1344-F1347 PolarHBondContact O-N 3.22Å; A1344-C1421 WeakPolarHBondContact CA-O 3.45Å
1345P90.3Very high89.9Confident13 Ų1312.1 Ų12.18%0.0846%0.061CC..Hα-helixtrans-68.4-24.8175.4-1832.2000114.4I1229 N1233 A1342 I1343 R1348I1229-P1345 HydrophobicContact CG2-CB 3.79Å; I1229-P1345 HydrophobicContact CG2-CG 3.81Å; N1233-P1345 HydrophobicContact CB-CB 3.93Å; N1233-P1345 HydrophobicContact CB-CG 4.44Å; A1342-P1345 WeakPolarHBondContact O-CD 3.44Å; I1343-P1345 VanDerWaalsContact C-N 3.28Å; I1343-P1345 VanDerWaalsContact O-N 3.09Å; P1345-R1348 WeakPolarHBondContact O-CB 3.33Å
1346L90.7Very high89.8Confident1 Ų112.2 Ų12.21%0.0056%0.062CC..Hα-helixtrans-68.2-38.5176.5-71176.3000111.9I1229 L1232 L1312 L1316 L1319 I1343 A1344 R1348 Y1349I1229-L1346 HydrophobicContact CD1-CD1 3.77Å; I1229-L1346 HydrophobicContact CD1-CG 4.03Å; I1229-L1346 HydrophobicContact CG1-CD1 4.01Å; I1229-L1346 HydrophobicContact CG1-CD2 3.88Å; I1229-L1346 HydrophobicContact CG1-CG 3.83Å; I1229-L1346 HydrophobicContact CG2-CG 4.47Å; L1232-L1346 HydrophobicContact CD1-CD2 3.92Å; L1312-L1346 HydrophobicContact CB-CD2 3.99Å; L1312-L1346 HydrophobicContact CD2-CD2 4.37Å; L1316-L1346 HydrophobicContact CD2-CB 4.23Å; L1319-L1346 HydrophobicContact CD1-CD1 3.9Å; I1343-L1346 WeakPolarHBondContact O-CB 3.39Å; I1343-L1346 PolarHBondContact O-N 3.02Å; A1344-L1346 VanDerWaalsContact C-N 3.31Å; A1344-L1346 PolarHBondContact O-N 3.49Å; L1346-R1348 PolarHBondContact O-N 3.08Å; L1346-Y1349 WeakPolarHBondContact O-CD2 3.46Å; L1346-Y1349 PolarHBondContact O-N 2.72Å
1347F90.5Very high89.8Confident1 Ų112.3 Ų12.30%0.0046%0.063CC..Hα-helixtrans-59.9-23-179.5-80.1-70000113.2L1316 L1319 I1323 I1343 A1344 Y1349 H1350 I1422 H1426L1316-F1347 HydrophobicContact CD2-CD1 4.36Å; L1319-F1347 HydrophobicContact CB-CZ 4.19Å; I1323-F1347 HydrophobicContact CD1-CE2 3.84Å; I1323-F1347 HydrophobicContact CD1-CZ 3.53Å; I1343-F1347 HydrophobicContact CD1-CE2 3.75Å; I1343-F1347 HydrophobicContact CG1-CE2 4.12Å; A1344-F1347 PolarHBondContact O-N 3.22Å; F1347-Y1349 PolarHBondContact O-N 3.35Å; F1347-H1350 HydrophobicContact CD1-CB 4.23Å; F1347-H1350 WeakPolarHBondContact O-CA 3.49Å; F1347-H1350 WeakPolarHBondContact O-CB 3.47Å; F1347-H1350 PolarHBondContact O-N 2.94Å; F1347-I1422 HydrophobicContact CD1-CB 4.47Å; F1347-I1422 HydrophobicContact CD1-CG1 4.25Å; F1347-I1422 HydrophobicContact CD1-CG2 4.11Å; F1347-I1422 HydrophobicContact CD2-CG1 4.22Å; F1347-I1422 HydrophobicContact CE1-CG1 4.11Å; F1347-I1422 HydrophobicContact CE2-CG1 4.06Å; F1347-I1422 HydrophobicContact CG-CB 4.4Å; F1347-I1422 HydrophobicContact CG-CG1 4.33Å; F1347-I1422 HydrophobicContact CG-CG2 4.4Å; F1347-I1422 HydrophobicContact CZ-CG1 4.02Å; F1347-H1426 PolarHBondContact O-NE2 3.08Å
1348R87.7Confident89.8Confident17 Ų1712.6 Ų12.66%0.0646%0.064CC..THydrogen-bonded Turntrans-51.9-29170.6-175.4178.7-178.8169.72.7114Y1236 P1345 L1346 K1425Y1236-R1348 VanDerWaalsContact O-CZ 3.31Å; Y1236-R1348 PolarHBondContact O-NH1 3.23Å; Y1236-R1348 PolarHBondContact O-NH2 3.4Å; P1345-R1348 WeakPolarHBondContact O-CB 3.33Å; L1346-R1348 PolarHBondContact O-N 3.08Å; R1348-K1425 HydrophobicContact CB-CB 4.03Å; R1348-K1425 HydrophobicContact CB-CG 4.29Å; R1348-K1425 HydrophobicContact CG-CB 4.32Å
1349Y88.5Confident89.7Confident8 Ų811.9 Ų11.93%0.0316%0.059CC..THydrogen-bonded Turntrans-90.5-8.2179.9-59.6-84000112.5L1232 Y1236 P1256 W1262 L1313 L1346 F1347L1232-Y1349 HydrophobicContact CB-CE2 3.82Å; L1232-Y1349 HydrophobicContact CD1-CD2 4.28Å; L1232-Y1349 HydrophobicContact CD1-CE2 4.03Å; L1232-Y1349 HydrophobicContact CD2-CE1 4.1Å; L1232-Y1349 HydrophobicContact CD2-CE2 4.06Å; L1232-Y1349 HydrophobicContact CG-CE2 4.2Å; L1232-Y1349 PolarHBondContact O-OH 3.2Å; Y1236-Y1349 WeakPolarHBondContact CD2-OH 3.45Å; P1256-Y1349 HydrophobicContact CB-CD1 3.97Å; P1256-Y1349 HydrophobicContact CB-CE1 3.56Å; P1256-Y1349 HydrophobicContact CG-CD1 4.27Å; P1256-Y1349 HydrophobicContact CG-CE1 3.98Å; W1262-Y1349 HydrophobicContact CH2-CD1 4.23Å; W1262-Y1349 HydrophobicContact CH2-CE1 4.36Å; W1262-Y1349 HydrophobicContact CZ3-CD1 4.07Å; W1262-Y1349 AromaticContact CZ3-CE1 3.82Å; W1262-Y1349 HydrophobicContact CZ3-CE1 3.82Å; L1313-Y1349 HydrophobicContact CD2-CG 4.19Å; L1346-Y1349 WeakPolarHBondContact O-CD2 3.46Å; L1346-Y1349 PolarHBondContact O-N 2.72Å; F1347-Y1349 PolarHBondContact O-N 3.35Å
1350H87.6Confident89.5Confident9 Ų912 Ų124%0.0426%0.06CC..  trans-75.1124.8171.5-162.8-106.3000110.2L1316 E1320 F1347 R1352 V1356L1316-H1350 HydrophobicContact CD1-CB 4.47Å; L1316-H1350 HydrophobicContact CD2-CB 4.43Å; E1320-H1350 IonicContact OE1-NE2 3.25Å; F1347-H1350 HydrophobicContact CD1-CB 4.23Å; F1347-H1350 WeakPolarHBondContact O-CA 3.49Å; F1347-H1350 WeakPolarHBondContact O-CB 3.47Å; F1347-H1350 PolarHBondContact O-N 2.94Å; H1350-R1352 VanDerWaalsContact CE1-C 3.49Å; H1350-R1352 PolarHBondContact CE1-O 2.69Å; H1350-R1352 PolarHBondContact ND1-N 3.46Å; H1350-R1352 PolarHBondContact ND1-O 2.76Å; H1350-V1356 VanDerWaalsContact CE1-CG2 3.4Å; H1350-V1356 WeakPolarHBondContact CE1-CG2 3.49Å
1351R82.1Confident89.5Confident17 Ų1711.9 Ų11.96%0.0646%0.058CC..SBendtrans-79.8-16.8-178.4-75.4-177.7175.81505.1114.4R787 D790 D1255 R1555R787-R1351 PolarHBondContact O-NH1 2.82Å; D790-R1351 HydrophobicContact CB-CB 3.94Å; D1255-R1351 IonicContact OD1-NE 2.73Å; D1255-R1351 IonicContact OD1-NH2 3.13Å; D1255-R1351 IonicContact OD2-CZ 3.03Å; D1255-R1351 IonicContact OD2-NE 3.62Å; D1255-R1351 IonicContact OD2-NH2 2.74Å; D1255-R1351 PolarHBondContact OD2-NH2 3.23Å; D1255-R1351 VanDerWaalsContact OD2-NH2 3.09Å; R1351-R1555 PolarHBondContact O-NH2 3.45Å
1352R85.4Confident89.5Confident13 Ų137.7 Ų7.75%0.0494%0.043CC..  trans-125.949-175.2-53.6-175.9171-160.4-9.6114.4D790 S853 D858 H1350 N1355 V1356 E1561D790-R1352 PolarHBondContact O-NE 2.86Å; D790-R1352 PolarHBondContact O-NH2 3.27Å; S853-R1352 PolarHBondContact O-NH1 3.34Å; D858-R1352 IonicContact OD1-NH1 3.55Å; H1350-R1352 VanDerWaalsContact CE1-C 3.49Å; H1350-R1352 PolarHBondContact CE1-O 2.69Å; H1350-R1352 PolarHBondContact ND1-N 3.46Å; H1350-R1352 PolarHBondContact ND1-O 2.76Å; R1352-N1355 HydrophobicContact CB-CB 4.3Å; R1352-V1356 WeakPolarHBondContact O-CG2 3.47Å; R1352-V1356 PolarHBondContact O-N 3.39Å; R1352-V1356 VanDerWaalsContact O-N 3.1Å; R1352-E1561 WeakPolarHBondContact CA-OE2 3.31Å; R1352-E1561 HydrophobicContact CB-CB 4.19Å; R1352-E1561 HydrophobicContact CG-CB 3.96Å
1353P88.8Confident89.2Confident0 Ų06.5 Ų6.50%03%0.033CC..Hα-helixtrans-64-34.5-17530.6-40.2000114.2C1357 I1422 H1426 E1561P1353-C1357 PolarHBondContact O-N 3.23Å; P1353-I1422 HydrophobicContact CB-CG2 3.85Å; P1353-H1426 VanDerWaalsContact CB-CE1 3.43Å; P1353-H1426 WeakPolarHBondContact CB-CE1 3.37Å; P1353-H1426 VanDerWaalsContact CB-NE2 3.31Å; P1353-H1426 WeakPolarHBondContact CB-NE2 3.35Å; P1353-E1561 WeakPolarHBondContact CD-OE1 3.28Å; P1353-E1561 WeakPolarHBondContact CD-OE2 3.49Å; P1353-E1561 WeakPolarHBondContact CG-OE1 3.44Å
1354V89Confident89Confident5 Ų56.7 Ų6.73%0.033%0.034CC..Hα-helixtrans-70.8-45.6179.5-177.70000109V1356 C1357 Y1358 F1453 E1561 I1575V1354-V1356 VanDerWaalsContact C-N 3.3Å; V1354-V1356 PolarHBondContact O-N 3.19Å; V1354-C1357 PolarHBondContact O-N 2.78Å; V1354-Y1358 PolarHBondContact O-N 3.02Å; V1354-F1453 HydrophobicContact CG2-CE2 3.75Å; V1354-F1453 HydrophobicContact CG2-CZ 3.57Å; V1354-E1561 WeakPolarHBondContact CA-OE2 3.47Å; V1354-E1561 WeakPolarHBondContact CB-OE2 3.28Å; V1354-E1561 WeakPolarHBondContact CG2-OE1 3.42Å; V1354-E1561 PolarHBondContact N-OE2 2.73Å; V1354-I1575 HydrophobicContact CB-CD1 4.48Å; V1354-I1575 HydrophobicContact CG1-CD1 3.54Å; V1354-I1575 WeakPolarHBondContact O-CD1 3.25Å
1355N88Confident88.8Confident8 Ų86.1 Ų6.14%0.0433%0.029CC..Hα-helixtrans-61.4-39.7177.3-63.5-9.5000111.6R1352 Y1358 T1359 E1561R1352-N1355 HydrophobicContact CB-CB 4.3Å; N1355-Y1358 PolarHBondContact O-N 2.69Å; N1355-T1359 WeakPolarHBondContact O-CG2 3.47Å; N1355-T1359 PolarHBondContact O-N 3.21Å; N1355-T1359 PolarHBondContact O-OG1 3.19Å; N1355-E1561 PolarHBondContact N-OE2 3.04Å; N1355-E1561 VanDerWaalsContact N-OE2 3.07Å; N1355-E1561 PolarHBondContact ND2-O 2.93Å
1356V89.2Confident88.2Confident8 Ų86.3 Ų6.35%0.0483%0.029CC..Hα-helixtrans-62.7-48.1173.6168.50000111.4E1320 H1350 R1352 V1354 Y1358 T1359 V1360 I1422E1320-V1356 HydrophobicContact CG-CG1 4Å; E1320-V1356 HydrophobicContact CG-CG2 4.17Å; H1350-V1356 VanDerWaalsContact CE1-CG2 3.4Å; H1350-V1356 WeakPolarHBondContact CE1-CG2 3.49Å; R1352-V1356 WeakPolarHBondContact O-CG2 3.47Å; R1352-V1356 PolarHBondContact O-N 3.39Å; R1352-V1356 VanDerWaalsContact O-N 3.1Å; V1354-V1356 VanDerWaalsContact C-N 3.3Å; V1354-V1356 PolarHBondContact O-N 3.19Å; V1356-Y1358 VanDerWaalsContact C-N 3.3Å; V1356-Y1358 PolarHBondContact O-N 3.14Å; V1356-T1359 PolarHBondContact O-N 2.85Å; V1356-T1359 PolarHBondContact O-OG1 3.19Å; V1356-V1360 HydrophobicContact CG1-CG2 4.08Å; V1356-V1360 WeakPolarHBondContact O-CB 3.1Å; V1356-V1360 WeakPolarHBondContact O-CG2 3.36Å; V1356-V1360 PolarHBondContact O-N 3.24Å; V1356-I1422 HydrophobicContact CG1-CD1 4.25Å
1357C91.7Very high87.7Confident1 Ų19.4 Ų9.41%0.0074%0.042CC..Hα-helixtrans-59.5-40175.9-80.80000112.8P1353 V1354 L1361 I1422 I1423 I1575P1353-C1357 PolarHBondContact O-N 3.23Å; V1354-C1357 PolarHBondContact O-N 2.78Å; C1357-L1361 WeakPolarHBondContact O-CB 3.14Å; C1357-L1361 VanDerWaalsContact O-CG 3.26Å; C1357-L1361 WeakPolarHBondContact O-CG 3.44Å; C1357-L1361 PolarHBondContact O-N 3.04Å; C1357-I1422 VanDerWaalsContact SG-CD1 3.56Å; C1357-I1422 VanDerWaalsContact SG-CG2 3.59Å; C1357-I1423 HydrophobicContact CB-CD1 3.97Å; C1357-I1423 VanDerWaalsContact SG-CD1 3.58Å; C1357-I1575 HydrophobicContact CB-CD1 3.75Å; C1357-I1575 HydrophobicContact CB-CG1 4.1Å; C1357-I1575 HydrophobicContact CB-CG2 4.25Å
1358Y92Very high87.2Confident8 Ų810.8 Ų10.83%0.0315%0.051CC..Hα-helixtrans-63.3-54.6177.9171.4-102.9000111.9T997 F998 V1354 N1355 V1356 V1360 L1361 H1362 Y1571 S1574 M1578 I1617T997-Y1358 HydrophobicContact CG2-CE1 3.96Å; F998-Y1358 HydrophobicContact CE1-CE1 4.32Å; F998-Y1358 HydrophobicContact CZ-CE1 4.47Å; V1354-Y1358 PolarHBondContact O-N 3.02Å; N1355-Y1358 PolarHBondContact O-N 2.69Å; V1356-Y1358 VanDerWaalsContact C-N 3.3Å; V1356-Y1358 PolarHBondContact O-N 3.14Å; Y1358-V1360 VanDerWaalsContact C-N 3.26Å; Y1358-V1360 PolarHBondContact O-N 3.12Å; Y1358-L1361 PolarHBondContact O-N 3Å; Y1358-H1362 WeakPolarHBondContact O-CB 3.41Å; Y1358-H1362 PolarHBondContact O-N 2.55Å; Y1358-Y1571 AromaticContact CD1-CD1 3.98Å; Y1358-Y1571 HydrophobicContact CD1-CD1 3.98Å; Y1358-Y1571 HydrophobicContact CD1-CE1 4Å; Y1358-Y1571 AromaticContact CD2-CD1 3.77Å; Y1358-Y1571 HydrophobicContact CD2-CD1 3.77Å; Y1358-Y1571 HydrophobicContact CD2-CE1 4.32Å; Y1358-Y1571 HydrophobicContact CE1-CD1 4.28Å; Y1358-Y1571 AromaticContact CE1-CE1 3.92Å; Y1358-Y1571 HydrophobicContact CE1-CE1 3.92Å; Y1358-Y1571 HydrophobicContact CE2-CD1 4.06Å; Y1358-Y1571 HydrophobicContact CE2-CE1 4.23Å; Y1358-Y1571 AromaticContact CG-CD1 3.72Å; Y1358-Y1571 HydrophobicContact CG-CD1 3.72Å; Y1358-Y1571 HydrophobicContact CG-CE1 4.21Å; Y1358-S1574 VanDerWaalsContact CD2-OG 3.32Å; Y1358-S1574 WeakPolarHBondContact CD2-OG 3.48Å; Y1358-M1578 HydrophobicContact CD2-CE 3.87Å; Y1358-M1578 HydrophobicContact CE2-CE 4.23Å; Y1358-I1617 HydrophobicContact CD2-CG2 4.39Å; Y1358-I1617 HydrophobicContact CE2-CG2 3.46Å; Y1358-I1617 VanDerWaalsContact CE2-CG2 3.46Å; Y1358-I1617 PolarHBondContact OH-O 2.94Å
1359T89.5Confident86.7Confident4 Ų410 Ų103%0.0255%0.048CC..Hα-helixtrans-61.6-37.2179.4580000111.6T997 N1355 V1356 D1363T997-T1359 HydrophobicContact CG2-CG2 4.14Å; N1355-T1359 WeakPolarHBondContact O-CG2 3.47Å; N1355-T1359 PolarHBondContact O-N 3.21Å; N1355-T1359 PolarHBondContact O-OG1 3.19Å; V1356-T1359 PolarHBondContact O-N 2.85Å; V1356-T1359 PolarHBondContact O-OG1 3.19Å; T1359-D1363 VanDerWaalsContact O-CB 3.24Å; T1359-D1363 WeakPolarHBondContact O-CB 3.41Å; T1359-D1363 PolarHBondContact O-N 3.48Å
1360V89.9Confident85.9Confident4 Ų413.9 Ų13.92%0.0247%0.065CC..Hα-helixtrans-67-45179.5166.10000112.3I1323 M1324 L1327 V1356 Y1358 H1364I1323-V1360 HydrophobicContact CG2-CG1 3.9Å; M1324-V1360 VanDerWaalsContact CE-CA 3.44Å; M1324-V1360 HydrophobicContact CE-CB 4.1Å; M1324-V1360 HydrophobicContact CE-CG1 4.07Å; M1324-V1360 HydrophobicContact CE-CG2 4.27Å; M1324-V1360 WeakPolarHBondContact CE-O 3.42Å; M1324-V1360 HydrophobicContact CG-CG2 4.41Å; L1327-V1360 HydrophobicContact CD1-CG1 3.34Å; V1356-V1360 HydrophobicContact CG1-CG2 4.08Å; V1356-V1360 WeakPolarHBondContact O-CB 3.1Å; V1356-V1360 WeakPolarHBondContact O-CG2 3.36Å; V1356-V1360 PolarHBondContact O-N 3.24Å; Y1358-V1360 VanDerWaalsContact C-N 3.26Å; Y1358-V1360 PolarHBondContact O-N 3.12Å; V1360-H1364 VanDerWaalsContact O-CB 3.31Å; V1360-H1364 WeakPolarHBondContact O-CB 3.47Å; V1360-H1364 PolarHBondContact O-N 2.88Å
1361L91.6Very high85.1Confident5 Ų515.1 Ų15.13%0.0268%0.08CC..Hα-helixtrans-74.7-35.8-179.8-68.5174.5000112.9C1357 Y1358 H1364 A1365 C1415 V1419 I1575 M1578C1357-L1361 WeakPolarHBondContact O-CB 3.14Å; C1357-L1361 VanDerWaalsContact O-CG 3.26Å; C1357-L1361 WeakPolarHBondContact O-CG 3.44Å; C1357-L1361 PolarHBondContact O-N 3.04Å; Y1358-L1361 PolarHBondContact O-N 3Å; L1361-H1364 PolarHBondContact O-N 3Å; L1361-A1365 WeakPolarHBondContact O-CB 3.46Å; L1361-A1365 PolarHBondContact O-N 2.98Å; L1361-C1415 HydrophobicContact CD2-CB 3.7Å; L1361-V1419 HydrophobicContact CD1-CG2 3.78Å; L1361-V1419 HydrophobicContact CD2-CG2 4.29Å; L1361-V1419 HydrophobicContact CG-CG2 4.36Å; L1361-I1575 HydrophobicContact CD1-CB 4.28Å; L1361-I1575 HydrophobicContact CD1-CG1 4.43Å; L1361-I1575 HydrophobicContact CD1-CG2 3.85Å; L1361-M1578 HydrophobicContact CB-CB 4.12Å; L1361-M1578 HydrophobicContact CB-CE 3.8Å; L1361-M1578 HydrophobicContact CB-SD 3.92Å; L1361-M1578 HydrophobicContact CD1-CB 4.14Å; L1361-M1578 HydrophobicContact CD1-CE 4.49Å
1362H90.9Very high84.6Confident2 Ų215.6 Ų15.61%0.0098%0.083CC..Hα-helixtrans-67-50.8-178.8-173.1-63.2000111.7T997 Y1358 H1364 A1365 E1366 M1578 I1617 P1619T997-H1362 HydrophobicContact CG2-CB 4.14Å; T997-H1362 PolarHBondContact O-CE1 3.46Å; Y1358-H1362 WeakPolarHBondContact O-CB 3.41Å; Y1358-H1362 PolarHBondContact O-N 2.55Å; H1362-H1364 VanDerWaalsContact C-N 3.3Å; H1362-H1364 PolarHBondContact O-N 2.86Å; H1362-A1365 WeakPolarHBondContact O-CB 3.14Å; H1362-A1365 PolarHBondContact O-N 3.18Å; H1362-A1365 VanDerWaalsContact O-N 3.16Å; H1362-E1366 PolarHBondContact O-N 3.47Å; H1362-M1578 HydrophobicContact CB-SD 4.3Å; H1362-I1617 PolarHBondContact CD2-O 3.25Å; H1362-P1619 HydrophobicContact CB-CG 4.33Å; H1362-P1619 WeakPolarHBondContact NE2-CA 3.47Å
1363D86.1Confident83.8Confident0 Ų017.1 Ų17.10%09%0.093CC..Hα-helixtrans-59.8-40.6175.7178.149.5000110.7Q993 R1036 M1324 T1359 A1365 E1366 F1367Q993-D1363 HydrophobicContact CG-CB 4.35Å; Q993-D1363 PolarHBondContact NE2-OD2 3.21Å; R1036-D1363 IonicContact CZ-OD1 2.69Å; R1036-D1363 IonicContact CZ-OD2 3.46Å; R1036-D1363 VanDerWaalsContact CZ-OD2 3.26Å; R1036-D1363 IonicContact NE-OD1 3.9Å; R1036-D1363 PolarHBondContact NE-OD1 3.16Å; R1036-D1363 IonicContact NE-OD2 2.76Å; R1036-D1363 PolarHBondContact NE-OD2 2.89Å; R1036-D1363 VanDerWaalsContact NE-OD2 3.07Å; R1036-D1363 IonicContact NH2-OD1 2.66Å; R1036-D1363 IonicContact NH2-OD2 3.15Å; R1036-D1363 PolarHBondContact NH2-OD2 3.46Å; M1324-D1363 HydrophobicContact CE-CB 3.8Å; M1324-D1363 WeakPolarHBondContact CE-OD2 3.31Å; T1359-D1363 VanDerWaalsContact O-CB 3.24Å; T1359-D1363 WeakPolarHBondContact O-CB 3.41Å; T1359-D1363 PolarHBondContact O-N 3.48Å; D1363-A1365 PolarHBondContact O-N 3.11Å; D1363-E1366 PolarHBondContact O-N 3.42Å; D1363-F1367 VanDerWaalsContact O-CD2 3.27Å; D1363-F1367 WeakPolarHBondContact O-CD2 3.47Å; D1363-F1367 PolarHBondContact O-N 2.89Å; D1363-F1367 WeakPolarHBondContact OD1-CE2 3.48Å
1364H88.2Confident82.4Confident4 Ų421.8 Ų21.82%0.01912%0.124CC..Hα-helixtrans-61.9-43.5172.6-178.8-92000113.6L1327 V1360 L1361 H1362 E1366 F1367 T1368 D1411 R1412L1327-H1364 HydrophobicContact CD1-CB 4.35Å; V1360-H1364 VanDerWaalsContact O-CB 3.31Å; V1360-H1364 WeakPolarHBondContact O-CB 3.47Å; V1360-H1364 PolarHBondContact O-N 2.88Å; L1361-H1364 PolarHBondContact O-N 3Å; H1362-H1364 VanDerWaalsContact C-N 3.3Å; H1362-H1364 PolarHBondContact O-N 2.86Å; H1364-E1366 VanDerWaalsContact C-N 3.31Å; H1364-E1366 PolarHBondContact O-N 3.32Å; H1364-F1367 PolarHBondContact O-N 2.95Å; H1364-T1368 PolarHBondContact CD2-OG1 3.27Å; H1364-T1368 VanDerWaalsContact CD2-OG1 3.25Å; H1364-T1368 VanDerWaalsContact CE1-CB 3.47Å; H1364-T1368 WeakPolarHBondContact CE1-CB 3.46Å; H1364-T1368 VanDerWaalsContact NE2-CB 3.25Å; H1364-T1368 WeakPolarHBondContact NE2-CB 3.43Å; H1364-T1368 PolarHBondContact NE2-OG1 3.43Å; H1364-T1368 WeakPolarHBondContact O-CB 3.32Å; H1364-T1368 PolarHBondContact O-N 3.07Å; H1364-T1368 PolarHBondContact O-OG1 3.46Å; H1364-D1411 IonicContact CE1-OD1 3.64Å; H1364-D1411 PolarHBondContact CE1-OD1 2.92Å; H1364-D1411 IonicContact NE2-OD1 3.68Å; H1364-R1412 PolarHBondContact CE1-NH2 3.11Å; H1364-R1412 PolarHBondContact ND1-NH2 3.35Å
1365A86.1Confident80.8Confident0 Ų029.8 Ų29.80%016%0.158CC..Iπ-helixtrans-64-35.9178.700000112.4L1361 H1362 D1363 M1369 P1619L1361-A1365 WeakPolarHBondContact O-CB 3.46Å; L1361-A1365 PolarHBondContact O-N 2.98Å; H1362-A1365 WeakPolarHBondContact O-CB 3.14Å; H1362-A1365 PolarHBondContact O-N 3.18Å; H1362-A1365 VanDerWaalsContact O-N 3.16Å; D1363-A1365 PolarHBondContact O-N 3.11Å; A1365-M1369 HydrophobicContact CB-CE 4.05Å; A1365-M1369 HydrophobicContact CB-CG 4.25Å; A1365-M1369 HydrophobicContact CB-SD 3.51Å; A1365-M1369 VanDerWaalsContact CB-SD 3.51Å; A1365-M1369 WeakPolarHBondContact O-CB 3.5Å; A1365-M1369 PolarHBondContact O-N 2.92Å; A1365-P1619 HydrophobicContact CB-CB 3.96Å; A1365-P1619 HydrophobicContact CB-CG 3.57Å
1366E79.1Confident79Confident17 Ų1731.6 Ų31.68%0.07917%0.172CC..Iπ-helixtrans-67.2-38.1179.9-167.5-178.7156.400113.4H996 H1362 D1363 H1364 K1370H996-E1366 WeakPolarHBondContact CB-OE2 3.37Å; H996-E1366 IonicContact CE1-OE1 3.73Å; H996-E1366 IonicContact CG-OE1 3.8Å; H996-E1366 IonicContact CG-OE2 3.73Å; H996-E1366 IonicContact ND1-OE1 3.33Å; H996-E1366 PolarHBondContact ND1-OE1 2.95Å; H996-E1366 IonicContact ND1-OE2 2.75Å; H1362-E1366 PolarHBondContact O-N 3.47Å; D1363-E1366 PolarHBondContact O-N 3.42Å; H1364-E1366 VanDerWaalsContact C-N 3.31Å; H1364-E1366 PolarHBondContact O-N 3.32Å; E1366-K1370 WeakPolarHBondContact O-CD 3.32Å; E1366-K1370 WeakPolarHBondContact O-CE 3.09Å; E1366-K1370 PolarHBondContact O-NZ 2.84Å; E1366-K1370 VanDerWaalsContact O-NZ 3.13Å
1367F79.4Confident76.6Confident66 Ų6635.3 Ų35.329%0.28919%0.191SC..Iπ-helixtrans-96.1-35.8-175.9-70-72.2000114.4H996 K1035 R1036 D1363 H1364H996-F1367 HydrophobicContact CB-CE2 4.21Å; H996-F1367 HydrophobicContact CB-CZ 4.47Å; H996-F1367 AromaticContact CD2-CZ 3.71Å; H996-F1367 AromaticContact CE1-CZ 3.63Å; H996-F1367 AromaticContact CG-CE2 3.89Å; H996-F1367 AromaticContact CG-CZ 3.67Å; H996-F1367 AromaticContact ND1-CZ 3.6Å; H996-F1367 AromaticContact NE2-CZ 3.71Å; K1035-F1367 WeakPolarHBondContact O-CE1 3.3Å; R1036-F1367 HydrophobicContact CB-CZ 4.12Å; R1036-F1367 HydrophobicContact CG-CD2 4.38Å; R1036-F1367 HydrophobicContact CG-CE1 4.42Å; R1036-F1367 HydrophobicContact CG-CE2 3.73Å; R1036-F1367 HydrophobicContact CG-CZ 3.75Å; D1363-F1367 VanDerWaalsContact O-CD2 3.27Å; D1363-F1367 WeakPolarHBondContact O-CD2 3.47Å; D1363-F1367 PolarHBondContact O-N 2.89Å; D1363-F1367 WeakPolarHBondContact OD1-CE2 3.48Å; H1364-F1367 PolarHBondContact O-N 2.95Å
1368T80.2Confident73.9Confident30 Ų3043.4 Ų43.418%0.18423%0.232CC..Iπ-helixtrans-97.6-45.8-174-48.30000112.9H1364 K1370 G1371 L1372H1364-T1368 PolarHBondContact CD2-OG1 3.27Å; H1364-T1368 VanDerWaalsContact CD2-OG1 3.25Å; H1364-T1368 VanDerWaalsContact CE1-CB 3.47Å; H1364-T1368 WeakPolarHBondContact CE1-CB 3.46Å; H1364-T1368 VanDerWaalsContact NE2-CB 3.25Å; H1364-T1368 WeakPolarHBondContact NE2-CB 3.43Å; H1364-T1368 PolarHBondContact NE2-OG1 3.43Å; H1364-T1368 WeakPolarHBondContact O-CB 3.32Å; H1364-T1368 PolarHBondContact O-N 3.07Å; H1364-T1368 PolarHBondContact O-OG1 3.46Å; T1368-K1370 VanDerWaalsContact C-N 3.32Å; T1368-K1370 PolarHBondContact O-N 3.4Å; T1368-G1371 PolarHBondContact O-N 3.01Å; T1368-L1372 HydrophobicContact CG2-CD1 4.08Å; T1368-L1372 PolarHBondContact O-N 3.48Å
1369M78.2Confident70.9Confident0 Ų046 Ų460%026%0.262CS..Iπ-helixtrans-65.1-33-173.7-69.6177.5175.700113.2A1365 G1371 L1372 L1373 W1408 R1412 V1621 Y1622A1365-M1369 HydrophobicContact CB-CE 4.05Å; A1365-M1369 HydrophobicContact CB-CG 4.25Å; A1365-M1369 HydrophobicContact CB-SD 3.51Å; A1365-M1369 VanDerWaalsContact CB-SD 3.51Å; A1365-M1369 WeakPolarHBondContact O-CB 3.5Å; A1365-M1369 PolarHBondContact O-N 2.92Å; M1369-G1371 VanDerWaalsContact C-N 3.29Å; M1369-G1371 PolarHBondContact O-N 3.1Å; M1369-L1372 PolarHBondContact O-N 3.35Å; M1369-L1373 WeakPolarHBondContact O-CG 3.49Å; M1369-L1373 PolarHBondContact O-N 3.49Å; M1369-W1408 HydrophobicContact CB-CZ3 4.31Å; M1369-W1408 HydrophobicContact CE-CH2 3.97Å; M1369-W1408 HydrophobicContact CG-CH2 4.25Å; M1369-W1408 HydrophobicContact CG-CZ3 3.94Å; M1369-W1408 HydrophobicContact SD-CH2 3.88Å; M1369-W1408 HydrophobicContact SD-CZ3 4.18Å; M1369-R1412 VanDerWaalsContact CE-NH1 3.34Å; M1369-V1621 HydrophobicContact CB-CG1 4.12Å; M1369-V1621 HydrophobicContact CB-CG2 4.46Å; M1369-V1621 HydrophobicContact SD-CG1 4.4Å; M1369-Y1622 HydrophobicContact CE-CE2 4.16Å; M1369-Y1622 WeakPolarHBondContact CE-OH 3.44Å; M1369-Y1622 HydrophobicContact SD-CE2 3.84Å
1370K70.1Confident68.2Low91 Ų9153.7 Ų53.740%0.39629%0.292SS..Hα-helixtrans-54.9-47.3175.6-67.5-179.5-170.2153.40110.8E1366 T1368 L1373 C1374 V1621E1366-K1370 WeakPolarHBondContact O-CD 3.32Å; E1366-K1370 WeakPolarHBondContact O-CE 3.09Å; E1366-K1370 PolarHBondContact O-NZ 2.84Å; E1366-K1370 VanDerWaalsContact O-NZ 3.13Å; T1368-K1370 VanDerWaalsContact C-N 3.32Å; T1368-K1370 PolarHBondContact O-N 3.4Å; K1370-L1373 PolarHBondContact O-N 3.33Å; K1370-C1374 PolarHBondContact O-N 3.02Å; K1370-C1374 VanDerWaalsContact O-N 3.1Å; K1370-C1374 PolarHBondContact O-SG 3.48Å; K1370-V1621 HydrophobicContact CG-CG2 3.65Å
1371G71.2Confident65.3Low34 Ų3457.9 Ų57.935%0.35132%0.319SS..Hα-helixtrans-66.7-37.4177.600000113.8T1368 M1369 K1375T1368-G1371 PolarHBondContact O-N 3.01Å; M1369-G1371 VanDerWaalsContact C-N 3.29Å; M1369-G1371 PolarHBondContact O-N 3.1Å; G1371-K1375 WeakPolarHBondContact O-CG 3.47Å; G1371-K1375 PolarHBondContact O-N 3.31Å; G1371-K1375 VanDerWaalsContact O-N 3.08Å
1372L72.4Confident62.3Low27 Ų2761.6 Ų61.614%0.14135%0.351CS..Hα-helixtrans-62.8-45.2175.9-74.7164.7000111.9T1368 M1369 K1375 S1376 P1407 D1411T1368-L1372 HydrophobicContact CG2-CD1 4.08Å; T1368-L1372 PolarHBondContact O-N 3.48Å; M1369-L1372 PolarHBondContact O-N 3.35Å; L1372-K1375 PolarHBondContact O-N 3.44Å; L1372-S1376 PolarHBondContact O-N 2.83Å; L1372-P1407 HydrophobicContact CD2-CB 3.93Å; L1372-D1411 HydrophobicContact CD1-CB 3.89Å; L1372-D1411 VanDerWaalsContact CD1-OD2 3.31Å; L1372-D1411 WeakPolarHBondContact CD1-OD2 3.47Å
1373L67Low59.4Low46 Ų4670.5 Ų70.524%0.24139%0.386CS..Hα-helixtrans-70.3-35-179.8-66.3169.4000112.7M1369 K1370 S1376 N1377 W1408 P1584 V1621M1369-L1373 WeakPolarHBondContact O-CG 3.49Å; M1369-L1373 PolarHBondContact O-N 3.49Å; K1370-L1373 PolarHBondContact O-N 3.33Å; L1373-S1376 WeakPolarHBondContact CA-OG 3.31Å; L1373-S1376 PolarHBondContact O-N 3.42Å; L1373-S1376 PolarHBondContact O-OG 3.44Å; L1373-N1377 PolarHBondContact O-N 2.9Å; L1373-W1408 HydrophobicContact CD2-CE3 4.49Å; L1373-W1408 HydrophobicContact CD2-CZ3 4.27Å; L1373-W1408 HydrophobicContact CG-CZ3 4.44Å; L1373-P1584 HydrophobicContact CD1-CG 4.25Å; L1373-V1621 HydrophobicContact CD1-CG1 3.43Å; L1373-V1621 VanDerWaalsContact CD1-CG1 3.43Å
1374C59.7Low56.7Low97 Ų9776 Ų7666%0.65541%0.411SS*.Hα-helixtrans-62.9-42.6171.5-72.50000112K1370 S1376 N1377K1370-C1374 PolarHBondContact O-N 3.02Å; K1370-C1374 VanDerWaalsContact O-N 3.1Å; K1370-C1374 PolarHBondContact O-SG 3.48Å; C1374-S1376 VanDerWaalsContact C-N 3.31Å; C1374-S1376 PolarHBondContact O-N 3.21Å; C1374-N1377 PolarHBondContact O-N 2.96Å
1375K56.5Low54Low174 Ų17480.4 Ų80.476%0.75743%0.434SS*.Hα-helixtrans-65.4-31.1177.5-74.8175.7-178.8178.40113.4G1371 L1372G1371-K1375 WeakPolarHBondContact O-CG 3.47Å; G1371-K1375 PolarHBondContact O-N 3.31Å; G1371-K1375 VanDerWaalsContact O-N 3.08Å; L1372-K1375 PolarHBondContact O-N 3.44Å
1376S49.2Very low51.3Low46 Ų4689.6 Ų89.632%0.32248%0.477SS..Hα-helixtrans-73-36.9175.452.80000113.3L1372 L1373 C1374 I1378 M1403L1372-S1376 PolarHBondContact O-N 2.83Å; L1373-S1376 WeakPolarHBondContact CA-OG 3.31Å; L1373-S1376 PolarHBondContact O-N 3.42Å; L1373-S1376 PolarHBondContact O-OG 3.44Å; C1374-S1376 VanDerWaalsContact C-N 3.31Å; C1374-S1376 PolarHBondContact O-N 3.21Å; S1376-I1378 PolarHBondContact O-N 3.44Å; S1376-M1403 WeakPolarHBondContact O-CE 3.37Å; S1376-M1403 VanDerWaalsContact O-SD 3.37Å
1377N39.7Very low49Very low85 Ų8595.9 Ų95.946%0.45551%0.51SS..  trans-97.273.9-169.8-74.5-34.5000113.6L1373 C1374 G1379L1373-N1377 PolarHBondContact O-N 2.9Å; C1374-N1377 PolarHBondContact O-N 2.96Å; N1377-G1379 PolarHBondContact O-N 2.92Å
1378I33.8Very low46.4Very low171 Ų17197.1 Ų97.188%0.87753%0.528SS*.THydrogen-bonded Turntrans-7555.7170.1-44.8-180000110.7S1376S1376-I1378 PolarHBondContact O-N 3.44Å
1379G30.2Very low43.8Very low64 Ų64102.8 Ų102.866%0.6656%0.557SS**THydrogen-bonded Turntrans-160.8-3.4-172.900000116.1N1377N1377-G1379 PolarHBondContact O-N 2.92Å
1380Y33.2Very low41.6Very low165 Ų165108.5 Ų108.565%0.64759%0.592SS**SBendtrans-118.6122.9167.8-83.2-93.4000108.8A1382Y1380-A1382 PolarHBondContact O-N 3.07Å
1381P28.9Very low39.6Very low91 Ų91112.7 Ų112.759%0.59161%0.61SS**  trans-61.5140.3174.927.4-33.5000109Y1383P1381-Y1383 HydrophobicContact CG-CE2 4.31Å; P1381-Y1383 WeakPolarHBondContact O-CD2 3.48Å; P1381-Y1383 PolarHBondContact O-N 3.17Å; P1381-Y1383 VanDerWaalsContact O-N 3.12Å
1382A27.2Very low37.5Very low84 Ų84120.6 Ų120.669%0.69463%0.63SS**  trans-56119.7172.500000108.8Y1380 H1384Y1380-A1382 PolarHBondContact O-N 3.07Å; A1382-H1384 PolarHBondContact O-N 2.97Å
1383Y31.6Very low35.6Very low189 Ų189126.5 Ų126.574%0.74166%0.662SS**SBendtrans-79.554.5173.1-83.2-84000111.1P1381P1381-Y1383 HydrophobicContact CG-CE2 4.31Å; P1381-Y1383 WeakPolarHBondContact O-CD2 3.48Å; P1381-Y1383 PolarHBondContact O-N 3.17Å; P1381-Y1383 VanDerWaalsContact O-N 3.12Å
1384H29.3Very low33.7Very low114 Ų114130.2 Ų130.253%0.52868%0.682SS.*SBendtrans-148134.3148-82.4-48000107.6P1066 A1382P1066-H1384 WeakPolarHBondContact CG-CE1 3.17Å; A1382-H1384 PolarHBondContact O-N 2.97Å
1385L31.3Very low32.3Very low98 Ų98131.9 Ų131.951%0.51369%0.689SS.*  trans7695.7-168-62.6117.8000117.3N1068 L1387N1068-L1385 HydrophobicContact CB-CD1 4.41Å; N1068-L1385 WeakPolarHBondContact ND2-CD1 3.45Å; N1068-L1385 WeakPolarHBondContact OD1-CD1 3.49Å; L1385-L1387 HydrophobicContact CD2-CD1 4.2Å
1386Q28.2Very low31.1Very low192 Ų192128.8 Ų128.890%0.89769%0.689SS**  trans-102.5114.1146.2-85.2-173.4-29.600109.6
1387L31.2Very low30.1Very low149 Ų149132.9 Ų132.978%0.7872%0.715SS**  trans-89.3156.7153.8-90.898.4000110L1385L1385-L1387 HydrophobicContact CD2-CD1 4.2Å
1388S25.9Very low29.5Very low93 Ų93133.7 Ų133.765%0.6573%0.727SS**  trans-44.9137-175.751.30000118.8
1389D25.6Very low29.5Very low149 Ų149130.5 Ų130.580%0.79772%0.72SS**  trans69.2143.3136-69.1-36.6000123.5
1390T30.7Very low29.5Very low120 Ų120137.1 Ų137.174%0.73673%0.734SS**  trans93.198.2160.364.80000121.6
1391K29.3Very low29.5Very low178 Ų178134 Ų13477%0.77474%0.736SS**  75110.4124.3-65.5-173.7176.8178.80121.4
1392Y27Very low30Very low200 Ų200137.7 Ų137.778%0.78475%0.751SS**  53119.1129.4-68.6-78.5000120.8
1393L31.3Very low31Very low152 Ų152139 Ų13980%0.79674%0.744SS**  173.6117.694.5-102.7132.6000114
1394D26.9Very low32.7Very low123 Ų123135.4 Ų135.466%0.65874%0.738SS**  trans25.3121136-54.7-31.9000123.6
1395T30.4Very low34.9Very low133 Ų133135.7 Ų135.782%0.81674%0.737SS**  trans54.6110.4131.764.50000121.5
1396S31.3Very low37.3Very low109 Ų109133.2 Ų133.276%0.76273%0.726SS**  -175.1149.3107.841.10000111.4
1397P29Very low40Very low132 Ų132127.1 Ų127.186%0.85770%0.703SS**  trans-94.4125.1177.934.4-29.8000111.7
1398S28Very low42.5Very low102 Ų102121.2 Ų121.271%0.71367%0.671SS**  trans-151137.7170.751.50000113.5
1399S32.5Very low45.5Very low104 Ų104117.2 Ų117.273%0.72764%0.642SS**  trans54.7108.1165.852.10000118.9
1400E30.6Very low48.4Very low203 Ų203110.7 Ų110.795%0.94961%0.607SS**  trans-51.6130.5144.9-58.2164.6129.400110.1
1401S33.8Very low51.2Low99 Ų99105.6 Ų105.669%0.69258%0.575SS**  trans-154.2120.8162.450.40000111.8M1403S1401-M1403 PolarHBondContact O-N 3.26Å
1402D37.9Very low54.1Low168 Ų16897.1 Ų97.190%0.89854%0.539SS*.  trans25.678.5162.9-60.3-22.9000118.7D1404D1402-D1404 PolarHBondContact O-N 3.4Å
1403M50Low57.2Low112 Ų11287.7 Ų87.755%0.55250%0.502SS*.  trans-68.7118.6155.5-69.6-91.4-78.600109.2S1376 S1401 K1405S1376-M1403 WeakPolarHBondContact O-CE 3.37Å; S1376-M1403 VanDerWaalsContact O-SD 3.37Å; S1401-M1403 PolarHBondContact O-N 3.26Å; M1403-K1405 PolarHBondContact O-N 3.36Å
1404D66Low60Low114 Ų11480.7 Ų80.761%0.6147%0.465SS*.  trans-66.397.7-178.6-173.310.6000111.6D1402 T1406 P1407D1402-D1404 PolarHBondContact O-N 3.4Å; D1404-T1406 PolarHBondContact O-N 3.4Å; D1404-T1406 WeakPolarHBondContact OD1-CB 3.46Å; D1404-T1406 PolarHBondContact OD1-N 2.89Å; D1404-T1406 PolarHBondContact OD1-OG1 3.11Å; D1404-P1407 WeakPolarHBondContact O-CD 3.41Å
1405K76.7Confident63.2Low120 Ų12074.9 Ų74.952%0.52243%0.434SS..  trans-74.8-7.4176-71-166.5176-170.60113.1M1403 W1408 I1409 E1586M1403-K1405 PolarHBondContact O-N 3.36Å; K1405-W1408 PolarHBondContact O-N 3.03Å; K1405-I1409 HydrophobicContact CB-CD1 3.86Å; K1405-I1409 WeakPolarHBondContact O-CD1 3.4Å; K1405-I1409 WeakPolarHBondContact O-CG1 3.28Å; K1405-I1409 PolarHBondContact O-N 3.03Å; K1405-I1409 VanDerWaalsContact O-N 3.1Å; K1405-E1586 IonicContact NZ-OE1 3.88Å; K1405-E1586 PolarHBondContact NZ-OE1 3.15Å
1406T81.4Confident66.1Low46 Ų4668.8 Ų68.828%0.28240%0.396SS..Hα-helixtrans-49.8-51.9-177-56.60000114.5D1404 W1408 I1409 V1410 M1516D1404-T1406 PolarHBondContact O-N 3.4Å; D1404-T1406 WeakPolarHBondContact OD1-CB 3.46Å; D1404-T1406 PolarHBondContact OD1-N 2.89Å; D1404-T1406 PolarHBondContact OD1-OG1 3.11Å; T1406-W1408 VanDerWaalsContact C-N 3.32Å; T1406-W1408 PolarHBondContact O-N 3.4Å; T1406-I1409 PolarHBondContact O-N 2.97Å; T1406-V1410 HydrophobicContact CG2-CG2 4.23Å; T1406-V1410 WeakPolarHBondContact O-CB 3.47Å; T1406-V1410 WeakPolarHBondContact O-CG2 3.32Å; T1406-V1410 PolarHBondContact O-N 3.39Å; T1406-M1516 HydrophobicContact CG2-CE 4.07Å; T1406-M1516 HydrophobicContact CG2-CG 3.98Å; T1406-M1516 HydrophobicContact CG2-SD 3.96Å; T1406-M1516 WeakPolarHBondContact OG1-CE 3.35Å
1407P84.2Confident69Low63 Ų6363.9 Ų63.941%0.40936%0.361SS..Hα-helixtrans-62.2-36.4-178.223.8-35.1000113.1L1372 D1404 D1411L1372-P1407 HydrophobicContact CD2-CB 3.93Å; D1404-P1407 WeakPolarHBondContact O-CD 3.41Å; P1407-D1411 WeakPolarHBondContact O-CB 3.24Å; P1407-D1411 PolarHBondContact O-N 3.28Å
1408W85.1Confident72.1Confident26 Ų2657.8 Ų57.810%0.09832%0.322CS..Hα-helixtrans-65.4-46174.6-179.8-94.8000111.5M1369 L1373 K1405 T1406 V1410 D1411 R1412 F1581 P1584M1369-W1408 HydrophobicContact CB-CZ3 4.31Å; M1369-W1408 HydrophobicContact CE-CH2 3.97Å; M1369-W1408 HydrophobicContact CG-CH2 4.25Å; M1369-W1408 HydrophobicContact CG-CZ3 3.94Å; M1369-W1408 HydrophobicContact SD-CH2 3.88Å; M1369-W1408 HydrophobicContact SD-CZ3 4.18Å; L1373-W1408 HydrophobicContact CD2-CE3 4.49Å; L1373-W1408 HydrophobicContact CD2-CZ3 4.27Å; L1373-W1408 HydrophobicContact CG-CZ3 4.44Å; K1405-W1408 PolarHBondContact O-N 3.03Å; T1406-W1408 VanDerWaalsContact C-N 3.32Å; T1406-W1408 PolarHBondContact O-N 3.4Å; W1408-V1410 PolarHBondContact O-N 2.65Å; W1408-D1411 PolarHBondContact O-N 2.87Å; W1408-R1412 HydrophobicContact CD2-CG 4.36Å; W1408-R1412 HydrophobicContact CG-CG 4.47Å; W1408-R1412 HydrophobicContact CZ2-CG 4.24Å; W1408-R1412 VanDerWaalsContact O-CG 3.31Å; W1408-R1412 WeakPolarHBondContact O-CG 3.36Å; W1408-R1412 PolarHBondContact O-N 2.88Å; W1408-F1581 PolarHBondContact NE1-O 3.47Å; W1408-P1584 HydrophobicContact CH2-CG 4.25Å
1409I86.9Confident75.2Confident9 Ų953 Ų535%0.04629%0.288CS..Hα-helixtrans-63.3-43.1-179.5-66.2157.5000111.2K1405 T1406 R1412 L1413 F1515 M1516 Y1519 F1581K1405-I1409 HydrophobicContact CB-CD1 3.86Å; K1405-I1409 WeakPolarHBondContact O-CD1 3.4Å; K1405-I1409 WeakPolarHBondContact O-CG1 3.28Å; K1405-I1409 PolarHBondContact O-N 3.03Å; K1405-I1409 VanDerWaalsContact O-N 3.1Å; T1406-I1409 PolarHBondContact O-N 2.97Å; I1409-R1412 PolarHBondContact O-N 3Å; I1409-L1413 PolarHBondContact O-N 2.99Å; I1409-F1515 HydrophobicContact CG2-CE1 4.03Å; I1409-M1516 HydrophobicContact CB-SD 4.11Å; I1409-M1516 HydrophobicContact CD1-CE 3.82Å; I1409-M1516 HydrophobicContact CD1-SD 4.42Å; I1409-M1516 HydrophobicContact CG2-SD 3.78Å; I1409-Y1519 HydrophobicContact CD1-CD1 3.74Å; I1409-Y1519 HydrophobicContact CD1-CE1 3.39Å; I1409-Y1519 HydrophobicContact CG1-CD1 4.33Å; I1409-Y1519 HydrophobicContact CG1-CE1 3.84Å; I1409-Y1519 HydrophobicContact CG2-CD1 4.03Å; I1409-Y1519 HydrophobicContact CG2-CD2 4Å; I1409-Y1519 HydrophobicContact CG2-CE1 4.24Å; I1409-Y1519 HydrophobicContact CG2-CE2 4.19Å; I1409-Y1519 HydrophobicContact CG2-CG 3.92Å; I1409-F1581 HydrophobicContact CG2-CD1 4.18Å; I1409-F1581 HydrophobicContact CG2-CE1 4Å
1410V88Confident78.1Confident12 Ų1249.4 Ų49.47%0.07326%0.26CS..Hα-helixtrans-59.4-48.6174.8162.70000111.3F1333 T1406 W1408 R1412 L1413 L1414F1333-V1410 HydrophobicContact CE2-CG1 3.9Å; F1333-V1410 HydrophobicContact CZ-CG1 3.93Å; F1333-V1410 WeakPolarHBondContact CZ-O 3.43Å; T1406-V1410 HydrophobicContact CG2-CG2 4.23Å; T1406-V1410 WeakPolarHBondContact O-CB 3.47Å; T1406-V1410 WeakPolarHBondContact O-CG2 3.32Å; T1406-V1410 PolarHBondContact O-N 3.39Å; W1408-V1410 PolarHBondContact O-N 2.65Å; V1410-R1412 PolarHBondContact O-N 2.95Å; V1410-L1413 WeakPolarHBondContact O-CB 3.43Å; V1410-L1413 PolarHBondContact O-N 3.45Å; V1410-L1414 PolarHBondContact O-N 3.09Å
1411D88.6Confident81Confident12 Ų1239.8 Ų39.86%0.06422%0.215CC..Hα-helixtrans-63.6-39.3178.916750.5000113.3H1364 L1372 P1407 W1408 L1414 C1415H1364-D1411 IonicContact CE1-OD1 3.64Å; H1364-D1411 PolarHBondContact CE1-OD1 2.92Å; H1364-D1411 IonicContact NE2-OD1 3.68Å; L1372-D1411 HydrophobicContact CD1-CB 3.89Å; L1372-D1411 VanDerWaalsContact CD1-OD2 3.31Å; L1372-D1411 WeakPolarHBondContact CD1-OD2 3.47Å; P1407-D1411 WeakPolarHBondContact O-CB 3.24Å; P1407-D1411 PolarHBondContact O-N 3.28Å; W1408-D1411 PolarHBondContact O-N 2.87Å; D1411-L1414 WeakPolarHBondContact O-CB 3.41Å; D1411-L1414 PolarHBondContact O-N 3.1Å; D1411-C1415 PolarHBondContact O-N 3.31Å; D1411-C1415 PolarHBondContact O-SG 2.94Å
1412R90.3Very high83.8Confident1 Ų135.2 Ų35.20%0.00418%0.183CC..Hα-helixtrans-70.4-33.9174.5-61.6-56.584.6-137.9-4.7112.2H1364 M1369 W1408 I1409 V1410 C1415 Q1416 M1578 S1580 F1581H1364-R1412 PolarHBondContact CE1-NH2 3.11Å; H1364-R1412 PolarHBondContact ND1-NH2 3.35Å; M1369-R1412 VanDerWaalsContact CE-NH1 3.34Å; W1408-R1412 HydrophobicContact CD2-CG 4.36Å; W1408-R1412 HydrophobicContact CG-CG 4.47Å; W1408-R1412 HydrophobicContact CZ2-CG 4.24Å; W1408-R1412 VanDerWaalsContact O-CG 3.31Å; W1408-R1412 WeakPolarHBondContact O-CG 3.36Å; W1408-R1412 PolarHBondContact O-N 2.88Å; I1409-R1412 PolarHBondContact O-N 3Å; V1410-R1412 PolarHBondContact O-N 2.95Å; R1412-C1415 PolarHBondContact NH1-SG 3.47Å; R1412-C1415 PolarHBondContact NH2-SG 3.07Å; R1412-C1415 PolarHBondContact O-N 3.28Å; R1412-Q1416 WeakPolarHBondContact O-CG 3.43Å; R1412-Q1416 PolarHBondContact O-N 3.37Å; R1412-M1578 PolarHBondContact NH1-O 2.65Å; R1412-S1580 WeakPolarHBondContact CD-O 3.4Å; R1412-S1580 WeakPolarHBondContact CG-O 3.44Å; R1412-F1581 HydrophobicContact CB-CD1 3.74Å; R1412-F1581 HydrophobicContact CB-CE1 4.04Å
1413L91.7Very high86.4Confident1 Ų127.2 Ų27.21%0.00514%0.14CC..Hα-helixtrans-62.3-44172.2176.663.4000112.2F1333 I1409 V1410 C1415 Q1416 L1417 C1464 F1511 F1515F1333-L1413 HydrophobicContact CD1-CD2 4.36Å; F1333-L1413 HydrophobicContact CE1-CB 4.32Å; F1333-L1413 HydrophobicContact CE1-CD2 3.84Å; F1333-L1413 HydrophobicContact CE1-CG 3.87Å; F1333-L1413 HydrophobicContact CE2-CD2 4.32Å; F1333-L1413 HydrophobicContact CZ-CB 4.26Å; F1333-L1413 HydrophobicContact CZ-CD2 3.82Å; F1333-L1413 HydrophobicContact CZ-CG 4.13Å; I1409-L1413 PolarHBondContact O-N 2.99Å; V1410-L1413 WeakPolarHBondContact O-CB 3.43Å; V1410-L1413 PolarHBondContact O-N 3.45Å; L1413-C1415 VanDerWaalsContact C-N 3.26Å; L1413-C1415 PolarHBondContact O-N 3.3Å; L1413-Q1416 PolarHBondContact O-N 2.95Å; L1413-Q1416 VanDerWaalsContact O-N 3.12Å; L1413-L1417 HydrophobicContact CD1-CD1 4.45Å; L1413-L1417 HydrophobicContact CD1-CG 4.38Å; L1413-L1417 HydrophobicContact CG-CD1 4.2Å; L1413-L1417 PolarHBondContact O-N 3.4Å; L1413-C1464 HydrophobicContact CD1-CB 4.33Å; L1413-F1511 HydrophobicContact CD2-CE1 4.04Å; L1413-F1511 HydrophobicContact CD2-CZ 4.39Å; L1413-F1515 HydrophobicContact CB-CE1 4.42Å; L1413-F1515 HydrophobicContact CB-CZ 4.41Å; L1413-F1515 HydrophobicContact CD1-CE2 3.78Å; L1413-F1515 HydrophobicContact CD1-CZ 3.76Å; L1413-F1515 HydrophobicContact CD2-CD1 3.87Å; L1413-F1515 HydrophobicContact CD2-CD2 3.71Å; L1413-F1515 HydrophobicContact CD2-CE1 3.84Å; L1413-F1515 HydrophobicContact CD2-CE2 3.68Å; L1413-F1515 HydrophobicContact CD2-CG 3.82Å; L1413-F1515 HydrophobicContact CD2-CZ 3.76Å; L1413-F1515 HydrophobicContact CG-CE1 4.48Å; L1413-F1515 HydrophobicContact CG-CE2 4.32Å; L1413-F1515 HydrophobicContact CG-CZ 4.17Å
1414L91.7Very high88.3Confident6 Ų622 Ų223%0.03112%0.115CC..Hα-helixtrans-53.5-45.2174166.961.3000111L1327 F1333 L1336 V1410 D1411 L1418L1327-L1414 HydrophobicContact CD2-CD2 4.17Å; L1327-L1414 HydrophobicContact CD2-CG 3.99Å; F1333-L1414 HydrophobicContact CE1-CB 4.07Å; F1333-L1414 HydrophobicContact CZ-CB 4.44Å; L1336-L1414 HydrophobicContact CD2-CD1 3.37Å; V1410-L1414 PolarHBondContact O-N 3.09Å; D1411-L1414 WeakPolarHBondContact O-CB 3.41Å; D1411-L1414 PolarHBondContact O-N 3.1Å; L1414-L1418 HydrophobicContact CD1-CD1 4.1Å; L1414-L1418 WeakPolarHBondContact O-CG 3.1Å; L1414-L1418 PolarHBondContact O-N 2.92Å
1415C92.1Very high89.4Confident0 Ų017.7 Ų17.70%09%0.09CC..Hα-helixtrans-65.5-42.1175.6-68.60000113.1L1361 D1411 R1412 L1413 L1417 L1418 V1419L1361-C1415 HydrophobicContact CD2-CB 3.7Å; D1411-C1415 PolarHBondContact O-N 3.31Å; D1411-C1415 PolarHBondContact O-SG 2.94Å; R1412-C1415 PolarHBondContact NH1-SG 3.47Å; R1412-C1415 PolarHBondContact NH2-SG 3.07Å; R1412-C1415 PolarHBondContact O-N 3.28Å; L1413-C1415 VanDerWaalsContact C-N 3.26Å; L1413-C1415 PolarHBondContact O-N 3.3Å; C1415-L1417 PolarHBondContact O-N 3.05Å; C1415-L1418 PolarHBondContact O-N 3.31Å; C1415-V1419 WeakPolarHBondContact O-CB 3.4Å; C1415-V1419 VanDerWaalsContact O-CG2 3.26Å; C1415-V1419 WeakPolarHBondContact O-CG2 3.44Å; C1415-V1419 PolarHBondContact O-N 3.31Å
1416Q92.2Very high89.9Confident5 Ų512.1 Ų12.12%0.0237%0.066CC..Hα-helixtrans-63.3-39.7178.5-72.8173.815.100113.1R1412 L1413 L1418 V1419 H1420 L1461 S1579 F1581R1412-Q1416 WeakPolarHBondContact O-CG 3.43Å; R1412-Q1416 PolarHBondContact O-N 3.37Å; L1413-Q1416 PolarHBondContact O-N 2.95Å; L1413-Q1416 VanDerWaalsContact O-N 3.12Å; Q1416-L1418 VanDerWaalsContact C-N 3.34Å; Q1416-L1418 PolarHBondContact O-N 3.15Å; Q1416-V1419 PolarHBondContact O-N 2.97Å; Q1416-H1420 WeakPolarHBondContact O-CB 3.26Å; Q1416-H1420 PolarHBondContact O-N 3.42Å; Q1416-L1461 HydrophobicContact CB-CG 4.35Å; Q1416-S1579 VanDerWaalsContact CG-O 3.25Å; Q1416-S1579 WeakPolarHBondContact CG-O 3.48Å; Q1416-S1579 PolarHBondContact NE2-O 3.05Å; Q1416-F1581 VanDerWaalsContact NE2-CZ 3.33Å
1417L92.6Very high90.2Very high6 Ų610.2 Ų10.23%0.0315%0.054CC..Hα-helixtrans-61-42175.9-74.8165.6000111.9F1333 L1336 I1337 L1413 C1415 C1421 V1465F1333-L1417 HydrophobicContact CD1-CD1 3.51Å; F1333-L1417 HydrophobicContact CE1-CD1 3.83Å; L1336-L1417 HydrophobicContact CD2-CB 4.16Å; L1336-L1417 HydrophobicContact CD2-CD1 3.97Å; I1337-L1417 HydrophobicContact CG1-CD1 4.18Å; I1337-L1417 HydrophobicContact CG1-CD2 4.15Å; L1413-L1417 HydrophobicContact CD1-CD1 4.45Å; L1413-L1417 HydrophobicContact CD1-CG 4.38Å; L1413-L1417 HydrophobicContact CG-CD1 4.2Å; L1413-L1417 PolarHBondContact O-N 3.4Å; C1415-L1417 PolarHBondContact O-N 3.05Å; L1417-C1421 WeakPolarHBondContact O-CB 3.41Å; L1417-C1421 PolarHBondContact O-N 3Å; L1417-V1465 HydrophobicContact CD2-CB 4.45Å; L1417-V1465 HydrophobicContact CD2-CG1 4.14Å; L1417-V1465 HydrophobicContact CD2-CG2 4.11Å
1418L93.1Very high90.2Very high4 Ų413.3 Ų13.32%0.0216%0.058CC..Hα-helixtrans-71.8-42.6178.6-70.4168.5000112.5I1323 L1327 L1336 L1414 C1415 Q1416 H1420 C1421 I1422I1323-L1418 HydrophobicContact CB-CD2 4.39Å; I1323-L1418 HydrophobicContact CD1-CD2 4.39Å; I1323-L1418 HydrophobicContact CG1-CD2 3.97Å; I1323-L1418 HydrophobicContact CG2-CD1 4.13Å; I1323-L1418 HydrophobicContact CG2-CD2 3.88Å; I1323-L1418 HydrophobicContact CG2-CG 4.44Å; L1327-L1418 HydrophobicContact CD1-CD1 3.96Å; L1327-L1418 HydrophobicContact CD2-CD1 3.59Å; L1327-L1418 HydrophobicContact CG-CD1 3.48Å; L1327-L1418 VanDerWaalsContact CG-CD1 3.48Å; L1336-L1418 HydrophobicContact CD1-CD2 3.95Å; L1414-L1418 HydrophobicContact CD1-CD1 4.1Å; L1414-L1418 WeakPolarHBondContact O-CG 3.1Å; L1414-L1418 PolarHBondContact O-N 2.92Å; C1415-L1418 PolarHBondContact O-N 3.31Å; Q1416-L1418 VanDerWaalsContact C-N 3.34Å; Q1416-L1418 PolarHBondContact O-N 3.15Å; L1418-H1420 VanDerWaalsContact C-N 3.32Å; L1418-H1420 PolarHBondContact O-N 3.02Å; L1418-C1421 WeakPolarHBondContact O-CB 3.16Å; L1418-C1421 PolarHBondContact O-N 3.32Å; L1418-C1421 VanDerWaalsContact O-N 3.16Å; L1418-I1422 WeakPolarHBondContact O-CG1 3.37Å; L1418-I1422 PolarHBondContact O-N 3Å
1419V92.9Very high90.1Very high2 Ų213.2 Ų13.21%0.0126%0.059CC..Hα-helixtrans-60.8-42174.3170.60000111L1361 C1415 Q1416 I1422 I1423 I1452 L1461 I1575L1361-V1419 HydrophobicContact CD1-CG2 3.78Å; L1361-V1419 HydrophobicContact CD2-CG2 4.29Å; L1361-V1419 HydrophobicContact CG-CG2 4.36Å; C1415-V1419 WeakPolarHBondContact O-CB 3.4Å; C1415-V1419 VanDerWaalsContact O-CG2 3.26Å; C1415-V1419 WeakPolarHBondContact O-CG2 3.44Å; C1415-V1419 PolarHBondContact O-N 3.31Å; Q1416-V1419 PolarHBondContact O-N 2.97Å; V1419-I1422 PolarHBondContact O-N 3.36Å; V1419-I1423 HydrophobicContact CG1-CD1 4.39Å; V1419-I1423 WeakPolarHBondContact O-CB 3.46Å; V1419-I1423 PolarHBondContact O-N 3.4Å; V1419-I1452 HydrophobicContact CG1-CD1 3.36Å; V1419-L1461 HydrophobicContact CB-CD1 4.26Å; V1419-L1461 HydrophobicContact CG1-CD1 3.77Å; V1419-I1575 HydrophobicContact CG1-CG2 4.11Å; V1419-I1575 HydrophobicContact CG2-CG2 4.27Å
1420H93.8Very high90Very high29 Ų2912.8 Ų12.813%0.1346%0.057CC..Hα-helixtrans-60.8-44.5173-177.9-97.8000112.2Q1416 L1418 I1422 S1424 W1458 L1461 V1465Q1416-H1420 WeakPolarHBondContact O-CB 3.26Å; Q1416-H1420 PolarHBondContact O-N 3.42Å; L1418-H1420 VanDerWaalsContact C-N 3.32Å; L1418-H1420 PolarHBondContact O-N 3.02Å; H1420-I1422 PolarHBondContact O-N 3.38Å; H1420-S1424 WeakPolarHBondContact O-CB 3.28Å; H1420-S1424 PolarHBondContact O-N 3.3Å; H1420-S1424 PolarHBondContact O-OG 3.31Å; H1420-W1458 AromaticContact CD2-CH2 3.55Å; H1420-W1458 AromaticContact CD2-CZ2 3.43Å; H1420-W1458 VanDerWaalsContact CD2-CZ2 3.43Å; H1420-W1458 WeakPolarHBondContact CD2-CZ2 3.29Å; H1420-W1458 AromaticContact NE2-CZ2 3.85Å; H1420-L1461 HydrophobicContact CB-CD2 3.87Å; H1420-V1465 HydrophobicContact CB-CG1 4.37Å; H1420-V1465 HydrophobicContact CB-CG2 3.83Å
1421C92.5Very high89.6Confident1 Ų115 Ų151%0.0077%0.067CC..Hα-helixtrans-56.6-46.8178.6-172.60000112.1C1340 I1343 A1344 L1417 L1418C1340-C1421 HydrophobicContact CB-CB 4.04Å; C1340-C1421 PolarHBondContact O-SG 3.06Å; C1340-C1421 VanDerWaalsContact O-SG 3.33Å; I1343-C1421 VanDerWaalsContact CG1-SG 3.52Å; A1344-C1421 WeakPolarHBondContact CA-O 3.45Å; L1417-C1421 WeakPolarHBondContact O-CB 3.41Å; L1417-C1421 PolarHBondContact O-N 3Å; L1418-C1421 WeakPolarHBondContact O-CB 3.16Å; L1418-C1421 PolarHBondContact O-N 3.32Å; L1418-C1421 VanDerWaalsContact O-N 3.16Å
1422I93Very high89Confident2 Ų218.3 Ų18.31%0.018%0.081CC..Hα-helixtrans-77.2-43.4-176.4-61.2160.8000112.4I1323 F1347 P1353 V1356 C1357 L1418 V1419 H1420 H1426I1323-I1422 HydrophobicContact CD1-CD1 3.98Å; I1323-I1422 HydrophobicContact CD1-CG1 4.03Å; F1347-I1422 HydrophobicContact CD1-CB 4.47Å; F1347-I1422 HydrophobicContact CD1-CG1 4.25Å; F1347-I1422 HydrophobicContact CD1-CG2 4.11Å; F1347-I1422 HydrophobicContact CD2-CG1 4.22Å; F1347-I1422 HydrophobicContact CE1-CG1 4.11Å; F1347-I1422 HydrophobicContact CE2-CG1 4.06Å; F1347-I1422 HydrophobicContact CG-CB 4.4Å; F1347-I1422 HydrophobicContact CG-CG1 4.33Å; F1347-I1422 HydrophobicContact CG-CG2 4.4Å; F1347-I1422 HydrophobicContact CZ-CG1 4.02Å; P1353-I1422 HydrophobicContact CB-CG2 3.85Å; V1356-I1422 HydrophobicContact CG1-CD1 4.25Å; C1357-I1422 VanDerWaalsContact SG-CD1 3.56Å; C1357-I1422 VanDerWaalsContact SG-CG2 3.59Å; L1418-I1422 WeakPolarHBondContact O-CG1 3.37Å; L1418-I1422 PolarHBondContact O-N 3Å; V1419-I1422 PolarHBondContact O-N 3.36Å; H1420-I1422 PolarHBondContact O-N 3.38Å; I1422-H1426 VanDerWaalsContact C-CE1 3.44Å; I1422-H1426 PolarHBondContact O-CE1 2.66Å; I1422-H1426 PolarHBondContact O-ND1 3.21Å; I1422-H1426 PolarHBondContact O-NE2 3.12Å
1423I92.1Very high88.3Confident0 Ų019 Ų190%09%0.087CC..Hα-helixtrans-97.2-22.7-166.9-69.3-179.7000113.8C1357 V1419 K1425 H1426 Q1427 F1453 W1458C1357-I1423 HydrophobicContact CB-CD1 3.97Å; C1357-I1423 VanDerWaalsContact SG-CD1 3.58Å; V1419-I1423 HydrophobicContact CG1-CD1 4.39Å; V1419-I1423 WeakPolarHBondContact O-CB 3.46Å; V1419-I1423 PolarHBondContact O-N 3.4Å; I1423-K1425 VanDerWaalsContact C-N 3.33Å; I1423-K1425 PolarHBondContact O-N 3.25Å; I1423-H1426 WeakPolarHBondContact CA-CE1 3.42Å; I1423-H1426 CarbonylContact O-C 3.58Å; I1423-H1426 WeakPolarHBondContact O-CA 3.26Å; I1423-H1426 WeakPolarHBondContact O-CB 3.33Å; I1423-H1426 PolarHBondContact O-CE1 2.81Å; I1423-H1426 PolarHBondContact O-N 3.18Å; I1423-Q1427 HydrophobicContact CG2-CB 4.1Å; I1423-Q1427 PolarHBondContact O-N 2.95Å; I1423-F1453 HydrophobicContact CD1-CZ 4.23Å; I1423-F1453 HydrophobicContact CG2-CE1 3.65Å; I1423-F1453 HydrophobicContact CG2-CE2 4.4Å; I1423-F1453 HydrophobicContact CG2-CZ 3.54Å; I1423-W1458 HydrophobicContact CG2-CZ3 4.19Å
1424S90Very high87.5Confident4 Ų420.6 Ų20.63%0.02810%0.1CC..Hα-helixtrans-53.7-36.9-168.557.90000116.5H1420 R1428 W1458H1420-S1424 WeakPolarHBondContact O-CB 3.28Å; H1420-S1424 PolarHBondContact O-N 3.3Å; H1420-S1424 PolarHBondContact O-OG 3.31Å; S1424-R1428 WeakPolarHBondContact O-CG 3.34Å; S1424-W1458 VanDerWaalsContact CA-CH2 3.43Å
1425K87.7Confident86.5Confident22 Ų2225.2 Ų25.210%0.09612%0.124CC..Hα-helixtrans-73.9-36.4176.2-65.4-63.4-163.4177.30112.1N1233 E1237 R1348 I1423 L1429N1233-K1425 WeakPolarHBondContact OD1-CE 3.46Å; N1233-K1425 PolarHBondContact OD1-NZ 3.21Å; E1237-K1425 IonicContact OE1-NZ 3.18Å; E1237-K1425 PolarHBondContact OE1-NZ 3.2Å; E1237-K1425 IonicContact OE2-NZ 3.44Å; E1237-K1425 PolarHBondContact OE2-NZ 3.24Å; R1348-K1425 HydrophobicContact CB-CB 4.03Å; R1348-K1425 HydrophobicContact CB-CG 4.29Å; R1348-K1425 HydrophobicContact CG-CB 4.32Å; I1423-K1425 VanDerWaalsContact C-N 3.33Å; I1423-K1425 PolarHBondContact O-N 3.25Å; K1425-L1429 WeakPolarHBondContact O-CG 3.41Å; K1425-L1429 PolarHBondContact O-N 3.43Å
1426H87.6Confident85.4Confident3 Ų327.5 Ų27.51%0.01414%0.137CC..Hα-helixtrans-72.7-37.3176.8-53.1103.7000112F1347 P1353 I1422 I1423 R1428 L1429 A1430 W1554F1347-H1426 PolarHBondContact O-NE2 3.08Å; P1353-H1426 VanDerWaalsContact CB-CE1 3.43Å; P1353-H1426 WeakPolarHBondContact CB-CE1 3.37Å; P1353-H1426 VanDerWaalsContact CB-NE2 3.31Å; P1353-H1426 WeakPolarHBondContact CB-NE2 3.35Å; I1422-H1426 VanDerWaalsContact C-CE1 3.44Å; I1422-H1426 PolarHBondContact O-CE1 2.66Å; I1422-H1426 PolarHBondContact O-ND1 3.21Å; I1422-H1426 PolarHBondContact O-NE2 3.12Å; I1423-H1426 WeakPolarHBondContact CA-CE1 3.42Å; I1423-H1426 CarbonylContact O-C 3.58Å; I1423-H1426 WeakPolarHBondContact O-CA 3.26Å; I1423-H1426 WeakPolarHBondContact O-CB 3.33Å; I1423-H1426 PolarHBondContact O-CE1 2.81Å; I1423-H1426 PolarHBondContact O-N 3.18Å; H1426-R1428 VanDerWaalsContact C-N 3.31Å; H1426-R1428 PolarHBondContact O-N 3.23Å; H1426-L1429 WeakPolarHBondContact O-CB 3.29Å; H1426-L1429 PolarHBondContact O-N 3.16Å; H1426-L1429 VanDerWaalsContact O-N 3.07Å; H1426-A1430 WeakPolarHBondContact O-CB 3.46Å; H1426-A1430 PolarHBondContact O-N 3.13Å; H1426-W1554 HydrophobicContact CB-CZ2 4.12Å; H1426-W1554 AromaticContact CD2-CZ2 3.84Å
1427Q88.5Confident84.1Confident7 Ų732.1 Ų32.13%0.03315%0.154CC..Hα-helixtrans-57.6-43.2175.6-173-82.5-8.900111.7I1423 L1429 A1430 M1431 I1452 F1453 T1454 W1458I1423-Q1427 HydrophobicContact CG2-CB 4.1Å; I1423-Q1427 PolarHBondContact O-N 2.95Å; Q1427-L1429 VanDerWaalsContact C-N 3.29Å; Q1427-L1429 PolarHBondContact O-N 3.19Å; Q1427-A1430 PolarHBondContact O-N 3.47Å; Q1427-M1431 WeakPolarHBondContact O-CB 3.5Å; Q1427-M1431 PolarHBondContact O-N 3.09Å; Q1427-I1452 VanDerWaalsContact CG-O 3.3Å; Q1427-I1452 WeakPolarHBondContact CG-O 3.5Å; Q1427-F1453 HydrophobicContact CB-CD1 4.35Å; Q1427-F1453 HydrophobicContact CB-CE1 4.43Å; Q1427-F1453 HydrophobicContact CG-CD1 4.47Å; Q1427-T1454 PolarHBondContact NE2-O 3.06Å; Q1427-W1458 HydrophobicContact CB-CD2 4.34Å; Q1427-W1458 HydrophobicContact CB-CE3 4.21Å; Q1427-W1458 HydrophobicContact CB-CH2 4.34Å; Q1427-W1458 HydrophobicContact CB-CZ2 4.44Å; Q1427-W1458 HydrophobicContact CB-CZ3 4.2Å; Q1427-W1458 HydrophobicContact CG-CD2 3.61Å; Q1427-W1458 HydrophobicContact CG-CE3 3.71Å; Q1427-W1458 HydrophobicContact CG-CG 3.97Å; Q1427-W1458 HydrophobicContact CG-CZ3 4.22Å
1428R84.5Confident82.5Confident127 Ų12734.6 Ų34.648%0.47917%0.172SC..Hα-helixtrans-62.2-36.7176-64.5173.3-159.8-175.60.9112.3E1237 S1424 H1426 K1432E1237-R1428 IonicContact OE1-NH1 2.66Å; E1237-R1428 PolarHBondContact OE1-NH1 3.47Å; S1424-R1428 WeakPolarHBondContact O-CG 3.34Å; H1426-R1428 VanDerWaalsContact C-N 3.31Å; H1426-R1428 PolarHBondContact O-N 3.23Å; R1428-K1432 VanDerWaalsContact O-CB 3.29Å; R1428-K1432 WeakPolarHBondContact O-CB 3.33Å; R1428-K1432 PolarHBondContact O-N 3.45Å; R1428-K1432 VanDerWaalsContact O-N 3.11Å
1429L82.8Confident80.8Confident24 Ų2437.9 Ų37.913%0.12620%0.195CC..Hα-helixtrans-72.1-42.3176.9-64.6173.1000111.3P1252 K1425 H1426 Q1427 K1432 A1433 W1554P1252-L1429 HydrophobicContact CB-CD2 4.14Å; P1252-L1429 HydrophobicContact CG-CD2 3.73Å; K1425-L1429 WeakPolarHBondContact O-CG 3.41Å; K1425-L1429 PolarHBondContact O-N 3.43Å; H1426-L1429 WeakPolarHBondContact O-CB 3.29Å; H1426-L1429 PolarHBondContact O-N 3.16Å; H1426-L1429 VanDerWaalsContact O-N 3.07Å; Q1427-L1429 VanDerWaalsContact C-N 3.29Å; Q1427-L1429 PolarHBondContact O-N 3.19Å; L1429-K1432 PolarHBondContact O-N 2.83Å; L1429-A1433 WeakPolarHBondContact O-CB 3.25Å; L1429-A1433 PolarHBondContact O-N 2.92Å; L1429-W1554 HydrophobicContact CB-CD2 4.34Å; L1429-W1554 HydrophobicContact CB-CE3 3.91Å; L1429-W1554 HydrophobicContact CB-CH2 3.98Å; L1429-W1554 HydrophobicContact CB-CZ2 4.4Å; L1429-W1554 HydrophobicContact CB-CZ3 3.71Å; L1429-W1554 HydrophobicContact CD1-CH2 3.64Å; L1429-W1554 HydrophobicContact CD1-CZ2 4.44Å; L1429-W1554 HydrophobicContact CD1-CZ3 3.89Å; L1429-W1554 HydrophobicContact CG-CH2 4.47Å; L1429-W1554 HydrophobicContact CG-CZ3 4.39Å
1430A83.4Confident78.9Confident0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-60.7-50.7175.100000112.3H1426 Q1427 K1432 A1433 A1434 F1453 S1551 W1554H1426-A1430 WeakPolarHBondContact O-CB 3.46Å; H1426-A1430 PolarHBondContact O-N 3.13Å; Q1427-A1430 PolarHBondContact O-N 3.47Å; A1430-K1432 VanDerWaalsContact C-N 3.3Å; A1430-K1432 PolarHBondContact O-N 3.47Å; A1430-A1433 PolarHBondContact O-N 3.42Å; A1430-A1433 VanDerWaalsContact O-N 3.15Å; A1430-A1434 WeakPolarHBondContact O-CB 3.44Å; A1430-A1434 PolarHBondContact O-N 3.21Å; A1430-F1453 HydrophobicContact CB-CD1 3.6Å; A1430-F1453 HydrophobicContact CB-CE1 4.29Å; A1430-F1453 HydrophobicContact CB-CG 4.47Å; A1430-S1551 WeakPolarHBondContact CB-O 3.22Å; A1430-W1554 HydrophobicContact CB-CB 4.14Å; A1430-W1554 HydrophobicContact CB-CG 3.79Å
1431M80.3Confident76.6Confident58 Ų5845.1 Ų45.129%0.28625%0.247SC..Hα-helixtrans-60.4-41.3176.5-172.2-177.3-174.700111Q1427 A1434 L1435 Q1455Q1427-M1431 WeakPolarHBondContact O-CB 3.5Å; Q1427-M1431 PolarHBondContact O-N 3.09Å; M1431-A1434 PolarHBondContact O-N 3.15Å; M1431-L1435 HydrophobicContact CG-CD1 4.22Å; M1431-L1435 WeakPolarHBondContact O-CB 3.42Å; M1431-L1435 VanDerWaalsContact O-CG 3.26Å; M1431-L1435 WeakPolarHBondContact O-CG 3.41Å; M1431-L1435 PolarHBondContact O-N 3.13Å; M1431-Q1455 HydrophobicContact CE-CB 4.45Å; M1431-Q1455 HydrophobicContact CE-CG 4.41Å
1432K77.2Confident74.6Confident82 Ų8249.6 Ų49.636%0.35727%0.267SS..Hα-helixtrans-62.9-45.2173.7-174.9169.2-177.7165.90111.8R1428 L1429 A1430 L1435 N1436R1428-K1432 VanDerWaalsContact O-CB 3.29Å; R1428-K1432 WeakPolarHBondContact O-CB 3.33Å; R1428-K1432 PolarHBondContact O-N 3.45Å; R1428-K1432 VanDerWaalsContact O-N 3.11Å; L1429-K1432 PolarHBondContact O-N 2.83Å; A1430-K1432 VanDerWaalsContact C-N 3.3Å; A1430-K1432 PolarHBondContact O-N 3.47Å; K1432-L1435 PolarHBondContact O-N 3.27Å; K1432-N1436 PolarHBondContact O-N 3.27Å; K1432-N1436 PolarHBondContact O-ND2 3.18Å
1433A75.1Confident72.2Confident15 Ų1552.9 Ų52.912%0.12428%0.284CS..Hα-helixtrans-61.7-44.417700000111.6L1429 A1430 L1435 N1436 R1437 W1554L1429-A1433 WeakPolarHBondContact O-CB 3.25Å; L1429-A1433 PolarHBondContact O-N 2.92Å; A1430-A1433 PolarHBondContact O-N 3.42Å; A1430-A1433 VanDerWaalsContact O-N 3.15Å; A1433-L1435 PolarHBondContact O-N 2.78Å; A1433-N1436 PolarHBondContact O-N 2.88Å; A1433-R1437 PolarHBondContact O-N 3.46Å; A1433-R1437 VanDerWaalsContact O-N 3.09Å; A1433-W1554 HydrophobicContact CB-CB 3.89Å
1434A73.5Confident69.8Low36 Ų3662.5 Ų62.530%0.29833%0.329SS..Hα-helixtrans-59.1-47176.500000112.2A1430 M1431 N1436 R1437 S1438A1430-A1434 WeakPolarHBondContact O-CB 3.44Å; A1430-A1434 PolarHBondContact O-N 3.21Å; M1431-A1434 PolarHBondContact O-N 3.15Å; A1434-N1436 PolarHBondContact O-N 3.11Å; A1434-R1437 WeakPolarHBondContact O-CB 3.38Å; A1434-R1437 PolarHBondContact O-N 3.06Å; A1434-S1438 PolarHBondContact O-N 2.96Å; A1434-S1438 PolarHBondContact O-OG 3.01Å
1435L71.8Confident67.6Low102 Ų10269.8 Ų69.853%0.53436%0.363SS..Hα-helixtrans-59.5-28.9176.8-74.6166.3000113.7M1431 K1432 A1433 S1438 S1439M1431-L1435 HydrophobicContact CG-CD1 4.22Å; M1431-L1435 WeakPolarHBondContact O-CB 3.42Å; M1431-L1435 VanDerWaalsContact O-CG 3.26Å; M1431-L1435 WeakPolarHBondContact O-CG 3.41Å; M1431-L1435 PolarHBondContact O-N 3.13Å; K1432-L1435 PolarHBondContact O-N 3.27Å; A1433-L1435 PolarHBondContact O-N 2.78Å; L1435-S1438 WeakPolarHBondContact CA-OG 3.39Å; L1435-S1438 PolarHBondContact O-OG 3.28Å; L1435-S1438 VanDerWaalsContact O-OG 3.09Å; L1435-S1439 PolarHBondContact O-N 3.44Å
1436N68Low65.7Low48 Ų4873.5 Ų73.526%0.25738%0.38SS..Hα-helixtrans-88-15.2176.7-71.6-92.7000113.2Q500 K1432 A1433 A1434 S1439Q500-N1436 PolarHBondContact NE2-ND2 2.94Å; Q500-N1436 PolarHBondContact NE2-OD1 3.16Å; Q500-N1436 VanDerWaalsContact NE2-OD1 3.11Å; K1432-N1436 PolarHBondContact O-N 3.27Å; K1432-N1436 PolarHBondContact O-ND2 3.18Å; A1433-N1436 PolarHBondContact O-N 2.88Å; A1434-N1436 PolarHBondContact O-N 3.11Å; N1436-S1439 PolarHBondContact O-OG 3.14Å
1437R65.1Low63.7Low102 Ų10278.5 Ų78.539%0.38542%0.416SS..Hα-helixtrans-77.4-46.7165.2-67.3179.6-175.3158.72.3110A1433 A1434 S1439 K1440 H1550 A1553A1433-R1437 PolarHBondContact O-N 3.46Å; A1433-R1437 VanDerWaalsContact O-N 3.09Å; A1434-R1437 WeakPolarHBondContact O-CB 3.38Å; A1434-R1437 PolarHBondContact O-N 3.06Å; R1437-S1439 VanDerWaalsContact C-N 3.28Å; R1437-S1439 PolarHBondContact O-N 3.38Å; R1437-K1440 WeakPolarHBondContact O-CB 3.34Å; R1437-K1440 PolarHBondContact O-N 3.14Å; R1437-K1440 VanDerWaalsContact O-N 3.13Å; R1437-H1550 PolarHBondContact NH1-O 2.86Å; R1437-H1550 VanDerWaalsContact NH1-O 3.09Å; R1437-A1553 PolarHBondContact NH1-O 3.08Å; R1437-A1553 PolarHBondContact NH2-O 3.32Å
1438S59.9Low62Low58 Ų5881.5 Ų81.541%0.40644%0.437SS..Hα-helixtrans-65.1-25.6-177.760.50000114.1A1434 L1435 K1440A1434-S1438 PolarHBondContact O-N 2.96Å; A1434-S1438 PolarHBondContact O-OG 3.01Å; L1435-S1438 WeakPolarHBondContact CA-OG 3.39Å; L1435-S1438 PolarHBondContact O-OG 3.28Å; L1435-S1438 VanDerWaalsContact O-OG 3.09Å; S1438-K1440 PolarHBondContact O-N 2.71Å; S1438-K1440 VanDerWaalsContact O-N 3.1Å
1439S56.4Low61Low74 Ų7477.1 Ų77.152%0.51742%0.424SS..THydrogen-bonded Turntrans-67.3-4.4174.459.90000114.5L1435 N1436 R1437L1435-S1439 PolarHBondContact O-N 3.44Å; N1436-S1439 PolarHBondContact O-OG 3.14Å; R1437-S1439 VanDerWaalsContact C-N 3.28Å; R1437-S1439 PolarHBondContact O-N 3.38Å
1440K52.9Low60.3Low108 Ų10876.5 Ų76.547%0.4742%0.421SS..THydrogen-bonded Turntrans-93.213.8-178.2-63.6-166.9178.6-170.80115.4D327 R1437 S1438D327-K1440 IonicContact OD1-NZ 3.9Å; D327-K1440 PolarHBondContact OD1-NZ 2.77Å; R1437-K1440 WeakPolarHBondContact O-CB 3.34Å; R1437-K1440 PolarHBondContact O-N 3.14Å; R1437-K1440 VanDerWaalsContact O-N 3.13Å; S1438-K1440 PolarHBondContact O-N 2.71Å; S1438-K1440 VanDerWaalsContact O-N 3.1Å
1441G46.9Very low60Low74 Ų7476.8 Ų76.876%0.76342%0.424SS*.SBendtrans8518.9167.200000116.6
1442F49.5Very low60.1Low96 Ų9674.1 Ų74.142%0.42141%0.411SS..SBendtrans-89.9125.3163.6-70.5-81.1000109.6T325T325-F1442 HydrophobicContact CG2-CZ 4.14Å
1443D43.1Very low60.3Low70 Ų7070.3 Ų70.337%0.37440%0.395SS..  trans6.5121.5-177.9-65.3-48.8000119.7Q1445 H1446D1443-Q1445 PolarHBondContact O-N 3.29Å; D1443-H1446 PolarHBondContact O-CD2 2.72Å; D1443-H1446 VanDerWaalsContact O-CD2 3.29Å
1444Q41.1Very low60.2Low202 Ų20270.6 Ų70.694%0.94440%0.395SS*.THydrogen-bonded Turntrans-67.610.7176.8-67.4-178.5-11.100115H1446Q1444-H1446 VanDerWaalsContact C-N 3.3Å; Q1444-H1446 PolarHBondContact O-N 3.23Å
1445Q43.7Very low60.3Low158 Ų15874.6 Ų74.674%0.73841%0.407SS*.THydrogen-bonded Turntrans-85.29.5-178.2-65.5-168.4-8.200114.5D1443 S1447D1443-Q1445 PolarHBondContact O-N 3.29Å; Q1445-S1447 PolarHBondContact O-N 3.12Å; Q1445-S1447 VanDerWaalsContact O-N 3.1Å
1446H48.2Very low60.4Low99 Ų9973.9 Ų73.946%0.45840%0.401SS..G310 helixtrans-75.411.8-176.5-79.4-65.5000116.2D1443 Q1444 S1448 V1449D1443-H1446 PolarHBondContact O-CD2 2.72Å; D1443-H1446 VanDerWaalsContact O-CD2 3.29Å; Q1444-H1446 VanDerWaalsContact C-N 3.3Å; Q1444-H1446 PolarHBondContact O-N 3.23Å; H1446-S1448 VanDerWaalsContact C-N 3.28Å; H1446-S1448 PolarHBondContact O-N 2.72Å; H1446-V1449 HydrophobicContact CB-CG2 4.39Å
1447S45.3Very low60.8Low109 Ų10971.9 Ų71.976%0.76239%0.392SS*.G310 helixtrans-73-15.4177.254.10000114.5Q1445Q1445-S1447 PolarHBondContact O-N 3.12Å; Q1445-S1447 VanDerWaalsContact O-N 3.1Å
1448S53.2Low61.8Low70 Ų7067.7 Ų67.749%0.4938%0.376SS..G310 helixtrans-98.56.9-175.455.60000115.2H1446 N1450H1446-S1448 VanDerWaalsContact C-N 3.28Å; H1446-S1448 PolarHBondContact O-N 2.72Å; S1448-N1450 PolarHBondContact O-N 3.09Å
1449V62.6Low63Low34 Ų3468.7 Ų68.721%0.20638%0.377CS..  trans-79.7113.2-173.6-170.70000111.6H1446 T1454 P1537H1446-V1449 HydrophobicContact CB-CG2 4.39Å; V1449-T1454 HydrophobicContact CB-CG2 4.37Å; V1449-T1454 HydrophobicContact CG1-CG2 3.68Å; V1449-T1454 WeakPolarHBondContact O-CB 3.45Å; V1449-T1454 PolarHBondContact O-OG1 2.9Å; V1449-P1537 HydrophobicContact CG1-CB 4.38Å; V1449-P1537 HydrophobicContact CG1-CG 3.54Å
1450N69.5Low64.3Low11 Ų1167.3 Ų67.36%0.05936%0.364CS..  trans-88.9163.5174.9-56.6-30000110.8S1448 T1454 Q1456 Y1530 G1533S1448-N1450 PolarHBondContact O-N 3.09Å; N1450-T1454 PolarHBondContact O-OG1 3.31Å; N1450-Q1456 PolarHBondContact OD1-OE1 3.14Å; N1450-Y1530 WeakPolarHBondContact ND2-CA 3.4Å; N1450-Y1530 PolarHBondContact ND2-O 2.91Å; N1450-G1533 PolarHBondContact N-O 2.92Å
1451G76.7Confident65.9Low6 Ų662.6 Ų62.66%0.06234%0.344CS..SBendtrans141.3144.1-168.600000114.7F1453 T1454 G1457 W1458 E1576G1451-F1453 PolarHBondContact O-N 3.09Å; G1451-T1454 PolarHBondContact N-OG1 3.15Å; G1451-T1454 CarbonylContact O-C 3.6Å; G1451-T1454 PolarHBondContact O-N 3.35Å; G1451-T1454 PolarHBondContact O-OG1 3.18Å; G1451-T1454 VanDerWaalsContact O-OG1 3.09Å; G1451-G1457 PolarHBondContact O-N 3.5Å; G1451-W1458 PolarHBondContact O-N 3.46Å; G1451-E1576 WeakPolarHBondContact CA-OE2 3.48Å
1452I82.4Confident68Low3 Ų360.7 Ų60.72%0.01532%0.316CS..THydrogen-bonded Turntrans-64.4-26.6168.9-166.9171.7000112.3V1419 Q1427 W1458 L1461 A1572 I1575 E1576V1419-I1452 HydrophobicContact CG1-CD1 3.36Å; Q1427-I1452 VanDerWaalsContact CG-O 3.3Å; Q1427-I1452 WeakPolarHBondContact CG-O 3.5Å; I1452-W1458 HydrophobicContact CG1-CE3 3.78Å; I1452-W1458 HydrophobicContact CG1-CZ3 4.1Å; I1452-L1461 HydrophobicContact CD1-CD1 4.08Å; I1452-A1572 HydrophobicContact CG2-CB 4.28Å; I1452-I1575 HydrophobicContact CD1-CG2 4.09Å; I1452-E1576 PolarHBondContact N-OE2 2.89Å
1453F80.9Confident69.9Low2 Ų259.7 Ų59.71%0.00932%0.315CS..THydrogen-bonded Turntrans-93.57.3172-73.7-74.1000113.7V1354 I1423 Q1427 A1430 G1451 S1551 A1552 A1572V1354-F1453 HydrophobicContact CG2-CE2 3.75Å; V1354-F1453 HydrophobicContact CG2-CZ 3.57Å; I1423-F1453 HydrophobicContact CD1-CZ 4.23Å; I1423-F1453 HydrophobicContact CG2-CE1 3.65Å; I1423-F1453 HydrophobicContact CG2-CE2 4.4Å; I1423-F1453 HydrophobicContact CG2-CZ 3.54Å; Q1427-F1453 HydrophobicContact CB-CD1 4.35Å; Q1427-F1453 HydrophobicContact CB-CE1 4.43Å; Q1427-F1453 HydrophobicContact CG-CD1 4.47Å; A1430-F1453 HydrophobicContact CB-CD1 3.6Å; A1430-F1453 HydrophobicContact CB-CE1 4.29Å; A1430-F1453 HydrophobicContact CB-CG 4.47Å; G1451-F1453 PolarHBondContact O-N 3.09Å; F1453-S1551 WeakPolarHBondContact CB-OG 3.45Å; F1453-A1552 HydrophobicContact CD2-CB 3.76Å; F1453-A1552 HydrophobicContact CE2-CB 4.19Å; F1453-A1552 HydrophobicContact CG-CB 4.25Å; F1453-A1572 HydrophobicContact CD2-CB 3.82Å; F1453-A1572 HydrophobicContact CE2-CB 4.15Å
1454T74.5Confident72.2Confident20 Ų2056.4 Ų56.412%0.12330%0.297CS..SBendtrans-118.6-162.1171.775.40000110.2Q1427 V1449 N1450 G1451 W1458Q1427-T1454 PolarHBondContact NE2-O 3.06Å; V1449-T1454 HydrophobicContact CB-CG2 4.37Å; V1449-T1454 HydrophobicContact CG1-CG2 3.68Å; V1449-T1454 WeakPolarHBondContact O-CB 3.45Å; V1449-T1454 PolarHBondContact O-OG1 2.9Å; N1450-T1454 PolarHBondContact O-OG1 3.31Å; G1451-T1454 PolarHBondContact N-OG1 3.15Å; G1451-T1454 CarbonylContact O-C 3.6Å; G1451-T1454 PolarHBondContact O-N 3.35Å; G1451-T1454 PolarHBondContact O-OG1 3.18Å; G1451-T1454 VanDerWaalsContact O-OG1 3.09Å; T1454-W1458 VanDerWaalsContact O-CB 3.26Å; T1454-W1458 WeakPolarHBondContact O-CB 3.41Å
1455Q74.3Confident74.5Confident120 Ų12047 Ų4756%0.56125%0.253SS*.SBendtrans-87.2-41.5-170.3-167.5166.7-5.200113.1M1431 N1459M1431-Q1455 HydrophobicContact CE-CB 4.45Å; M1431-Q1455 HydrophobicContact CE-CG 4.41Å; Q1455-N1459 VanDerWaalsContact O-CB 3.27Å; Q1455-N1459 WeakPolarHBondContact O-CB 3.17Å; Q1455-N1459 PolarHBondContact O-N 3.34Å; Q1455-N1459 PolarHBondContact O-ND2 3.17Å; Q1455-N1459 PolarHBondContact O-OD1 2.99Å
1456Q75.4Confident76.8Confident87 Ų8744.8 Ų44.841%0.40724%0.241SC..Hα-helixtrans-72.4-53.9-172.6-61.2-157.825.900113.2N1450 W1458 N1459 N1460N1450-Q1456 PolarHBondContact OD1-OE1 3.14Å; Q1456-W1458 VanDerWaalsContact C-N 3.33Å; Q1456-W1458 PolarHBondContact O-N 2.89Å; Q1456-N1459 WeakPolarHBondContact O-CB 3.12Å; Q1456-N1459 PolarHBondContact O-N 3.45Å; Q1456-N1459 VanDerWaalsContact O-N 3.11Å; Q1456-N1460 PolarHBondContact O-N 2.64Å
1457G75.9Confident78.9Confident6 Ų642.3 Ų42.36%0.06223%0.23CC..Hα-helixtrans-63.2-40.1-17900000112.2G1451 N1459 N1460 L1461 Y1530G1451-G1457 PolarHBondContact O-N 3.5Å; G1457-N1459 PolarHBondContact O-N 2.72Å; G1457-N1460 PolarHBondContact O-N 3.39Å; G1457-L1461 PolarHBondContact O-N 3.14Å; G1457-Y1530 VanDerWaalsContact CA-OH 3.3Å; G1457-Y1530 WeakPolarHBondContact CA-OH 3.47Å
1458W85.3Confident81.1Confident15 Ų1537.1 Ų37.16%0.05719%0.193CC..Hα-helixtrans-63-38.5172.6-169.6-103.2000113.2H1420 I1423 S1424 Q1427 G1451 I1452 T1454 Q1456 N1460 L1461 L1462H1420-W1458 AromaticContact CD2-CH2 3.55Å; H1420-W1458 AromaticContact CD2-CZ2 3.43Å; H1420-W1458 VanDerWaalsContact CD2-CZ2 3.43Å; H1420-W1458 WeakPolarHBondContact CD2-CZ2 3.29Å; H1420-W1458 AromaticContact NE2-CZ2 3.85Å; I1423-W1458 HydrophobicContact CG2-CZ3 4.19Å; S1424-W1458 VanDerWaalsContact CA-CH2 3.43Å; Q1427-W1458 HydrophobicContact CB-CD2 4.34Å; Q1427-W1458 HydrophobicContact CB-CE3 4.21Å; Q1427-W1458 HydrophobicContact CB-CH2 4.34Å; Q1427-W1458 HydrophobicContact CB-CZ2 4.44Å; Q1427-W1458 HydrophobicContact CB-CZ3 4.2Å; Q1427-W1458 HydrophobicContact CG-CD2 3.61Å; Q1427-W1458 HydrophobicContact CG-CE3 3.71Å; Q1427-W1458 HydrophobicContact CG-CG 3.97Å; Q1427-W1458 HydrophobicContact CG-CZ3 4.22Å; G1451-W1458 PolarHBondContact O-N 3.46Å; I1452-W1458 HydrophobicContact CG1-CE3 3.78Å; I1452-W1458 HydrophobicContact CG1-CZ3 4.1Å; T1454-W1458 VanDerWaalsContact O-CB 3.26Å; T1454-W1458 WeakPolarHBondContact O-CB 3.41Å; Q1456-W1458 VanDerWaalsContact C-N 3.33Å; Q1456-W1458 PolarHBondContact O-N 2.89Å; W1458-N1460 PolarHBondContact O-N 3.42Å; W1458-L1461 HydrophobicContact CE3-CD2 4.11Å; W1458-L1461 HydrophobicContact CH2-CD2 4.04Å; W1458-L1461 HydrophobicContact CZ2-CD2 4.46Å; W1458-L1461 HydrophobicContact CZ3-CD2 3.87Å; W1458-L1461 PolarHBondContact O-N 2.94Å; W1458-L1462 WeakPolarHBondContact O-CB 3.46Å; W1458-L1462 PolarHBondContact O-N 2.92Å
1459N85.5Confident82.8Confident79 Ų7936.1 Ų36.142%0.42218%0.181SC..Hα-helixtrans-62.2-40.4178.9-79.8-14.5000112.5Q1455 Q1456 G1457 L1462 L1463Q1455-N1459 VanDerWaalsContact O-CB 3.27Å; Q1455-N1459 WeakPolarHBondContact O-CB 3.17Å; Q1455-N1459 PolarHBondContact O-N 3.34Å; Q1455-N1459 PolarHBondContact O-ND2 3.17Å; Q1455-N1459 PolarHBondContact O-OD1 2.99Å; Q1456-N1459 WeakPolarHBondContact O-CB 3.12Å; Q1456-N1459 PolarHBondContact O-N 3.45Å; Q1456-N1459 VanDerWaalsContact O-N 3.11Å; G1457-N1459 PolarHBondContact O-N 2.72Å; N1459-L1462 PolarHBondContact O-N 3.3Å; N1459-L1463 VanDerWaalsContact O-CB 3.24Å; N1459-L1463 WeakPolarHBondContact O-CB 3.27Å; N1459-L1463 PolarHBondContact O-N 3.1Å
1460N82.8Confident84.2Confident44 Ų4437.8 Ų37.824%0.23519%0.191CC..Hα-helixtrans-64.4-48.7179.2-68.8-18.4000111.5Q1456 G1457 W1458 L1463 C1464 F1524Q1456-N1460 PolarHBondContact O-N 2.64Å; G1457-N1460 PolarHBondContact O-N 3.39Å; W1458-N1460 PolarHBondContact O-N 3.42Å; N1460-L1463 PolarHBondContact O-N 2.95Å; N1460-C1464 PolarHBondContact O-N 3.23Å; N1460-C1464 PolarHBondContact O-SG 3.39Å; N1460-C1464 VanDerWaalsContact O-SG 3.33Å; N1460-F1524 HydrophobicContact CB-CD1 4Å; N1460-F1524 HydrophobicContact CB-CE1 3.76Å; N1460-F1524 HydrophobicContact CB-CZ 4.5Å; N1460-F1524 WeakPolarHBondContact OD1-CE1 3.36Å
1461L88.1Confident85.3Confident9 Ų938.2 Ų38.25%0.04719%0.193CC..Hα-helixtrans-62.3-45.1175.3174.5154.7000111.3Q1416 V1419 H1420 I1452 G1457 W1458 L1463 C1464 V1465Q1416-L1461 HydrophobicContact CB-CG 4.35Å; V1419-L1461 HydrophobicContact CB-CD1 4.26Å; V1419-L1461 HydrophobicContact CG1-CD1 3.77Å; H1420-L1461 HydrophobicContact CB-CD2 3.87Å; I1452-L1461 HydrophobicContact CD1-CD1 4.08Å; G1457-L1461 PolarHBondContact O-N 3.14Å; W1458-L1461 HydrophobicContact CE3-CD2 4.11Å; W1458-L1461 HydrophobicContact CH2-CD2 4.04Å; W1458-L1461 HydrophobicContact CZ2-CD2 4.46Å; W1458-L1461 HydrophobicContact CZ3-CD2 3.87Å; W1458-L1461 PolarHBondContact O-N 2.94Å; L1461-L1463 VanDerWaalsContact C-N 3.31Å; L1461-L1463 PolarHBondContact O-N 3.17Å; L1461-C1464 PolarHBondContact O-N 3.14Å; L1461-V1465 HydrophobicContact CD2-CG2 4.28Å; L1461-V1465 VanDerWaalsContact O-CG2 3.3Å; L1461-V1465 WeakPolarHBondContact O-CG2 3.22Å; L1461-V1465 PolarHBondContact O-N 3.42Å
1462L90.6Very high85.9Confident34 Ų3438.4 Ų38.418%0.17819%0.192CC..Hα-helixtrans-65.5-33.4179.3-175.165.7000112.3W1458 N1459 K1466W1458-L1462 WeakPolarHBondContact O-CB 3.46Å; W1458-L1462 PolarHBondContact O-N 2.92Å; N1459-L1462 PolarHBondContact O-N 3.3Å; L1462-K1466 HydrophobicContact CD1-CD 4.31Å; L1462-K1466 HydrophobicContact CD1-CG 4.18Å; L1462-K1466 HydrophobicContact CG-CD 4.02Å; L1462-K1466 HydrophobicContact CG-CG 4.3Å; L1462-K1466 VanDerWaalsContact O-CB 3.23Å; L1462-K1466 WeakPolarHBondContact O-CB 3.35Å; L1462-K1466 VanDerWaalsContact O-CG 3.26Å; L1462-K1466 WeakPolarHBondContact O-CG 3.43Å; L1462-K1466 PolarHBondContact O-N 3.13Å
1463L89.9Confident86.2Confident76 Ų7640.6 Ų40.640%0.39820%0.203SC..Hα-helixtrans-64-48.2174.8179.562.7000110.7N1459 N1460 L1461 Q1467 W1518 F1524N1459-L1463 VanDerWaalsContact O-CB 3.24Å; N1459-L1463 WeakPolarHBondContact O-CB 3.27Å; N1459-L1463 PolarHBondContact O-N 3.1Å; N1460-L1463 PolarHBondContact O-N 2.95Å; L1461-L1463 VanDerWaalsContact C-N 3.31Å; L1461-L1463 PolarHBondContact O-N 3.17Å; L1463-Q1467 VanDerWaalsContact O-CB 3.31Å; L1463-Q1467 WeakPolarHBondContact O-CB 3.33Å; L1463-Q1467 PolarHBondContact O-N 3.18Å; L1463-W1518 HydrophobicContact CD1-CZ2 4.2Å; L1463-W1518 HydrophobicContact CD2-CH2 4.32Å; L1463-W1518 HydrophobicContact CD2-CZ2 4.09Å; L1463-W1518 HydrophobicContact CG-CH2 3.99Å; L1463-W1518 HydrophobicContact CG-CZ2 3.77Å; L1463-F1524 HydrophobicContact CD2-CE1 4.18Å; L1463-F1524 HydrophobicContact CD2-CZ 4.04Å
1464C90.1Very high86.5Confident1 Ų142.7 Ų42.71%0.00722%0.216CC..Hα-helixtrans-63.1-43.9177.7-61.60000112.2L1413 N1460 L1461 Q1467 S1468 F1524L1413-C1464 HydrophobicContact CD1-CB 4.33Å; N1460-C1464 PolarHBondContact O-N 3.23Å; N1460-C1464 PolarHBondContact O-SG 3.39Å; N1460-C1464 VanDerWaalsContact O-SG 3.33Å; L1461-C1464 PolarHBondContact O-N 3.14Å; C1464-Q1467 PolarHBondContact O-N 3.26Å; C1464-S1468 WeakPolarHBondContact O-CB 3.39Å; C1464-S1468 PolarHBondContact O-N 3.4Å; C1464-S1468 PolarHBondContact O-OG 2.67Å; C1464-F1524 WeakPolarHBondContact SG-CE2 3.45Å; C1464-F1524 VanDerWaalsContact SG-CZ 3.54Å
1465V90.5Very high87Confident3 Ų341.8 Ų41.82%0.01821%0.21CC..Hα-helixtrans-65.2-48.8178.2172.80000111.3L1417 H1420 L1461 Q1467 S1468 E1469L1417-V1465 HydrophobicContact CD2-CB 4.45Å; L1417-V1465 HydrophobicContact CD2-CG1 4.14Å; L1417-V1465 HydrophobicContact CD2-CG2 4.11Å; H1420-V1465 HydrophobicContact CB-CG1 4.37Å; H1420-V1465 HydrophobicContact CB-CG2 3.83Å; L1461-V1465 HydrophobicContact CD2-CG2 4.28Å; L1461-V1465 VanDerWaalsContact O-CG2 3.3Å; L1461-V1465 WeakPolarHBondContact O-CG2 3.22Å; L1461-V1465 PolarHBondContact O-N 3.42Å; V1465-Q1467 VanDerWaalsContact C-N 3.29Å; V1465-Q1467 PolarHBondContact O-N 3.09Å; V1465-S1468 WeakPolarHBondContact O-CB 3.39Å; V1465-S1468 PolarHBondContact O-N 3.34Å; V1465-E1469 WeakPolarHBondContact O-CB 3.41Å; V1465-E1469 WeakPolarHBondContact O-CG 3.5Å; V1465-E1469 PolarHBondContact O-N 2.88Å
1466K92Very high87.4Confident113 Ų11337 Ų3749%0.49119%0.19SC..Hα-helixtrans-61.4-36.8176.8-78.2178.4175.5178.10112.5L1462 E1469 V1470L1462-K1466 HydrophobicContact CD1-CD 4.31Å; L1462-K1466 HydrophobicContact CD1-CG 4.18Å; L1462-K1466 HydrophobicContact CG-CD 4.02Å; L1462-K1466 HydrophobicContact CG-CG 4.3Å; L1462-K1466 VanDerWaalsContact O-CB 3.23Å; L1462-K1466 WeakPolarHBondContact O-CB 3.35Å; L1462-K1466 VanDerWaalsContact O-CG 3.26Å; L1462-K1466 WeakPolarHBondContact O-CG 3.43Å; L1462-K1466 PolarHBondContact O-N 3.13Å; K1466-E1469 WeakPolarHBondContact O-CB 3.44Å; K1466-E1469 PolarHBondContact O-N 2.97Å; K1466-V1470 WeakPolarHBondContact O-CG2 3.33Å; K1466-V1470 PolarHBondContact O-N 3.39Å
1467Q91.6Very high87.6Confident46 Ų4640.5 Ų40.522%0.21520%0.2CC..Hα-helixtrans-70.4-40.2177.8-167.6682500111.4L1463 C1464 V1465 E1469 V1470 F1471 W1518L1463-Q1467 VanDerWaalsContact O-CB 3.31Å; L1463-Q1467 WeakPolarHBondContact O-CB 3.33Å; L1463-Q1467 PolarHBondContact O-N 3.18Å; C1464-Q1467 PolarHBondContact O-N 3.26Å; V1465-Q1467 VanDerWaalsContact C-N 3.29Å; V1465-Q1467 PolarHBondContact O-N 3.09Å; Q1467-E1469 VanDerWaalsContact C-N 3.32Å; Q1467-E1469 PolarHBondContact O-N 3.03Å; Q1467-V1470 PolarHBondContact O-N 2.92Å; Q1467-F1471 HydrophobicContact CG-CD2 4.14Å; Q1467-F1471 HydrophobicContact CG-CE1 4.14Å; Q1467-F1471 HydrophobicContact CG-CE2 3.46Å; Q1467-F1471 VanDerWaalsContact CG-CE2 3.46Å; Q1467-F1471 HydrophobicContact CG-CZ 3.48Å; Q1467-F1471 VanDerWaalsContact CG-CZ 3.48Å; Q1467-F1471 WeakPolarHBondContact O-CD2 3.26Å; Q1467-F1471 VanDerWaalsContact O-CG 3.29Å; Q1467-F1471 WeakPolarHBondContact O-CG 3.39Å; Q1467-F1471 PolarHBondContact O-N 2.92Å; Q1467-W1518 HydrophobicContact CB-CD2 4.38Å; Q1467-W1518 HydrophobicContact CB-CH2 4.42Å; Q1467-W1518 HydrophobicContact CB-CZ2 4.09Å; Q1467-W1518 HydrophobicContact CG-CD2 3.72Å; Q1467-W1518 HydrophobicContact CG-CE3 4.33Å; Q1467-W1518 HydrophobicContact CG-CG 3.89Å; Q1467-W1518 HydrophobicContact CG-CZ2 4.16Å
1468S91Very high87.6Confident0 Ų043.6 Ų43.60%022%0.215CC..Hα-helixtrans-59.1-44.1171.8-60.70000111.6C1464 V1465 F1471 Y1472 F1511C1464-S1468 WeakPolarHBondContact O-CB 3.39Å; C1464-S1468 PolarHBondContact O-N 3.4Å; C1464-S1468 PolarHBondContact O-OG 2.67Å; V1465-S1468 WeakPolarHBondContact O-CB 3.39Å; V1465-S1468 PolarHBondContact O-N 3.34Å; S1468-F1471 PolarHBondContact O-N 2.96Å; S1468-Y1472 PolarHBondContact O-N 3.42Å; S1468-F1511 WeakPolarHBondContact O-CE2 3.34Å
1469E90.3Very high86.9Confident49 Ų4945.3 Ų45.323%0.22923%0.225CC..Hα-helixtrans-57.4-46.6172-80.1-167142.200112.4I1337 R1341 V1465 K1466 Q1467 F1471 Y1472 D1473I1337-E1469 HydrophobicContact CG2-CG 4.24Å; R1341-E1469 WeakPolarHBondContact CG-OE1 3.27Å; R1341-E1469 IonicContact CZ-OE1 3.79Å; R1341-E1469 IonicContact NE-OE1 2.69Å; R1341-E1469 PolarHBondContact NE-OE1 3.29Å; R1341-E1469 VanDerWaalsContact NH2-CB 3.3Å; R1341-E1469 IonicContact NH2-OE1 3.39Å; V1465-E1469 WeakPolarHBondContact O-CB 3.41Å; V1465-E1469 WeakPolarHBondContact O-CG 3.5Å; V1465-E1469 PolarHBondContact O-N 2.88Å; K1466-E1469 WeakPolarHBondContact O-CB 3.44Å; K1466-E1469 PolarHBondContact O-N 2.97Å; Q1467-E1469 VanDerWaalsContact C-N 3.32Å; Q1467-E1469 PolarHBondContact O-N 3.03Å; E1469-F1471 PolarHBondContact O-N 2.92Å; E1469-Y1472 PolarHBondContact O-N 3.4Å; E1469-D1473 WeakPolarHBondContact O-CB 3.4Å; E1469-D1473 PolarHBondContact O-N 3.42Å
1470V91.9Very high85.7Confident70 Ų7043.6 Ų43.642%0.42422%0.219SC..Hα-helixtrans-62.3-40.1175.4167.80000111.8K1466 Q1467 D1473 V1474K1466-V1470 WeakPolarHBondContact O-CG2 3.33Å; K1466-V1470 PolarHBondContact O-N 3.39Å; Q1467-V1470 PolarHBondContact O-N 2.92Å; V1470-D1473 PolarHBondContact O-N 3.2Å; V1470-V1474 HydrophobicContact CG1-CG2 4.41Å; V1470-V1474 WeakPolarHBondContact O-CB 3.36Å; V1470-V1474 VanDerWaalsContact O-CG2 3.27Å; V1470-V1474 WeakPolarHBondContact O-CG2 3.27Å; V1470-V1474 PolarHBondContact O-N 3.38Å
1471F91.6Very high84.3Confident19 Ų1947 Ų478%0.08324%0.237CC..Hα-helixtrans-66.7-41177-64.1-33000112.5Q1467 S1468 E1469 V1474 I1475 F1511 M1514 F1515 W1518Q1467-F1471 HydrophobicContact CG-CD2 4.14Å; Q1467-F1471 HydrophobicContact CG-CE1 4.14Å; Q1467-F1471 HydrophobicContact CG-CE2 3.46Å; Q1467-F1471 VanDerWaalsContact CG-CE2 3.46Å; Q1467-F1471 HydrophobicContact CG-CZ 3.48Å; Q1467-F1471 VanDerWaalsContact CG-CZ 3.48Å; Q1467-F1471 WeakPolarHBondContact O-CD2 3.26Å; Q1467-F1471 VanDerWaalsContact O-CG 3.29Å; Q1467-F1471 WeakPolarHBondContact O-CG 3.39Å; Q1467-F1471 PolarHBondContact O-N 2.92Å; S1468-F1471 PolarHBondContact O-N 2.96Å; E1469-F1471 PolarHBondContact O-N 2.92Å; F1471-V1474 PolarHBondContact O-N 3.08Å; F1471-I1475 WeakPolarHBondContact O-CG1 3.4Å; F1471-I1475 PolarHBondContact O-N 3.17Å; F1471-F1511 HydrophobicContact CB-CD2 3.99Å; F1471-F1511 HydrophobicContact CB-CE2 3.87Å; F1471-M1514 HydrophobicContact CB-CE 4.05Å; F1471-M1514 HydrophobicContact CD1-CB 4.24Å; F1471-M1514 HydrophobicContact CD1-CE 3.51Å; F1471-M1514 HydrophobicContact CD2-CB 4.42Å; F1471-M1514 HydrophobicContact CE1-CB 4.36Å; F1471-M1514 HydrophobicContact CE1-CE 4.23Å; F1471-M1514 HydrophobicContact CG-CB 4.25Å; F1471-M1514 HydrophobicContact CG-CE 4.04Å; F1471-F1515 HydrophobicContact CD2-CB 4.28Å; F1471-F1515 HydrophobicContact CD2-CD2 4.24Å; F1471-F1515 HydrophobicContact CE2-CB 4.18Å; F1471-F1515 HydrophobicContact CE2-CD2 4.04Å; F1471-W1518 HydrophobicContact CE2-CB 4.03Å; F1471-W1518 HydrophobicContact CE2-CG 4.32Å; F1471-W1518 HydrophobicContact CZ-CB 3.62Å; F1471-W1518 AromaticContact CZ-CG 3.93Å; F1471-W1518 HydrophobicContact CZ-CG 3.93Å
1472Y89.6Confident82.6Confident11 Ų1152.7 Ų52.74%0.04327%0.272CS..Hα-helixtrans-60-46.4171.3174.9-96.6000111.6V1334 I1337 P1338 S1468 E1469 V1474 I1475 C1476 I1500V1334-Y1472 HydrophobicContact CB-CD2 4.5Å; V1334-Y1472 WeakPolarHBondContact O-CE2 3.25Å; I1337-Y1472 HydrophobicContact CB-CG 4.42Å; I1337-Y1472 HydrophobicContact CG2-CD1 4.17Å; I1337-Y1472 HydrophobicContact CG2-CG 4.01Å; P1338-Y1472 HydrophobicContact CG-CE2 4.08Å; S1468-Y1472 PolarHBondContact O-N 3.42Å; E1469-Y1472 PolarHBondContact O-N 3.4Å; Y1472-V1474 VanDerWaalsContact C-N 3.31Å; Y1472-V1474 PolarHBondContact O-N 2.95Å; Y1472-I1475 PolarHBondContact O-N 3.2Å; Y1472-C1476 PolarHBondContact O-N 3.03Å; Y1472-C1476 PolarHBondContact O-SG 3.27Å; Y1472-I1500 HydrophobicContact CE2-CD1 4.33Å
1473D87.8Confident80.5Confident48 Ų4854.7 Ų54.726%0.25729%0.289SS..Hα-helixtrans-65.8-32.6178.8-62.9-21.5000111.8R1341 E1469 V1470 R1477R1341-D1473 IonicContact CZ-OD1 2.78Å; R1341-D1473 IonicContact CZ-OD2 3.72Å; R1341-D1473 IonicContact NH1-OD1 2.73Å; R1341-D1473 PolarHBondContact NH1-OD1 2.98Å; R1341-D1473 IonicContact NH1-OD2 2.77Å; R1341-D1473 IonicContact NH2-OD1 3.18Å; R1341-D1473 PolarHBondContact NH2-OD1 3.01Å; R1341-D1473 IonicContact NH2-OD2 2.86Å; R1341-D1473 PolarHBondContact NH2-OD2 2.9Å; E1469-D1473 WeakPolarHBondContact O-CB 3.4Å; E1469-D1473 PolarHBondContact O-N 3.42Å; V1470-D1473 PolarHBondContact O-N 3.2Å; D1473-R1477 WeakPolarHBondContact O-CB 3.33Å; D1473-R1477 VanDerWaalsContact O-CG 3.27Å; D1473-R1477 WeakPolarHBondContact O-CG 3.13Å; D1473-R1477 PolarHBondContact O-N 3.37Å
1474V87.7Confident78Confident46 Ų4656.2 Ų56.228%0.27931%0.306SS..Hα-helixtrans-68.3-41.5172.3165.80000111.8V1470 F1471 Y1472 C1476 R1477 N1478 M1514V1470-V1474 HydrophobicContact CG1-CG2 4.41Å; V1470-V1474 WeakPolarHBondContact O-CB 3.36Å; V1470-V1474 VanDerWaalsContact O-CG2 3.27Å; V1470-V1474 WeakPolarHBondContact O-CG2 3.27Å; V1470-V1474 PolarHBondContact O-N 3.38Å; F1471-V1474 PolarHBondContact O-N 3.08Å; Y1472-V1474 VanDerWaalsContact C-N 3.31Å; Y1472-V1474 PolarHBondContact O-N 2.95Å; V1474-C1476 VanDerWaalsContact C-N 3.34Å; V1474-R1477 PolarHBondContact O-N 2.81Å; V1474-N1478 WeakPolarHBondContact O-CB 3.43Å; V1474-N1478 PolarHBondContact O-N 2.92Å; V1474-N1478 PolarHBondContact O-ND2 3.39Å; V1474-M1514 HydrophobicContact CB-CE 4.23Å; V1474-M1514 HydrophobicContact CG1-CE 3.82Å
1475I85.8Confident75.5Confident1 Ų163.1 Ų63.11%0.00534%0.343CS..Hα-helixtrans-60.2-46.3174.1-71.1166.1000110V1334 F1471 Y1472 R1477 N1478 L1479 I1500 F1507 Q1510 F1511V1334-I1475 HydrophobicContact CG1-CD1 4.35Å; F1471-I1475 WeakPolarHBondContact O-CG1 3.4Å; F1471-I1475 PolarHBondContact O-N 3.17Å; Y1472-I1475 PolarHBondContact O-N 3.2Å; I1475-R1477 PolarHBondContact O-N 3.41Å; I1475-N1478 PolarHBondContact O-N 3.09Å; I1475-L1479 HydrophobicContact CG2-CD1 4.33Å; I1475-L1479 PolarHBondContact O-N 2.79Å; I1475-L1479 VanDerWaalsContact O-N 3.12Å; I1475-I1500 HydrophobicContact CG2-CD1 4.33Å; I1475-F1507 HydrophobicContact CG2-CB 4.05Å; I1475-F1507 HydrophobicContact CG2-CD1 3.82Å; I1475-F1507 HydrophobicContact CG2-CG 4.13Å; I1475-Q1510 HydrophobicContact CG1-CG 4.46Å; I1475-F1511 HydrophobicContact CD1-CB 3.79Å; I1475-F1511 HydrophobicContact CD1-CD2 4.14Å; I1475-F1511 HydrophobicContact CD1-CG 4.49Å
1476C82.5Confident73.1Confident20 Ų2068.9 Ų68.914%0.13538%0.382CS..Hα-helixtrans-61.4-40176.2-60.20000112.6Y1472 V1474 L1479 S1480 I1500Y1472-C1476 PolarHBondContact O-N 3.03Å; Y1472-C1476 PolarHBondContact O-SG 3.27Å; V1474-C1476 VanDerWaalsContact C-N 3.34Å; C1476-L1479 WeakPolarHBondContact O-CB 3.41Å; C1476-L1479 PolarHBondContact O-N 3.12Å; C1476-S1480 PolarHBondContact O-N 2.88Å; C1476-S1480 VanDerWaalsContact O-N 3.16Å; C1476-I1500 VanDerWaalsContact SG-CD1 3.6Å
1477R79.6Confident70.1Confident160 Ų16071.6 Ų71.660%0.60440%0.402SS*.Hα-helixtrans-71.1-34.3176.4-73.8174.5-168.7173.26.8113.9D1473 V1474 I1475 L1479 S1480 N1481D1473-R1477 WeakPolarHBondContact O-CB 3.33Å; D1473-R1477 VanDerWaalsContact O-CG 3.27Å; D1473-R1477 WeakPolarHBondContact O-CG 3.13Å; D1473-R1477 PolarHBondContact O-N 3.37Å; V1474-R1477 PolarHBondContact O-N 2.81Å; I1475-R1477 PolarHBondContact O-N 3.41Å; R1477-L1479 VanDerWaalsContact C-N 3.26Å; R1477-L1479 PolarHBondContact O-N 3.42Å; R1477-S1480 WeakPolarHBondContact CA-OG 3.49Å; R1477-S1480 PolarHBondContact O-N 3.03Å; R1477-S1480 PolarHBondContact O-OG 3.05Å; R1477-N1481 WeakPolarHBondContact O-CB 3.48Å; R1477-N1481 PolarHBondContact O-N 3.46Å; R1477-N1481 PolarHBondContact O-OD1 3.02Å
1478N75.7Confident67.7Low71 Ų7175.9 Ų75.938%0.3843%0.425SS..Hα-helixtrans-65.2-36.5174.7-71.9-21.7000110.4V1474 I1475 N1481 V1482V1474-N1478 WeakPolarHBondContact O-CB 3.43Å; V1474-N1478 PolarHBondContact O-N 2.92Å; V1474-N1478 PolarHBondContact O-ND2 3.39Å; I1475-N1478 PolarHBondContact O-N 3.09Å; N1478-N1481 PolarHBondContact O-N 2.99Å; N1478-V1482 WeakPolarHBondContact O-CG2 3.21Å
1479L70.8Confident64.7Low51 Ų5181.9 Ų81.927%0.26746%0.461SS..Hα-helixtrans-63-39.8170.7-76.8156.6000112.8I1475 C1476 R1477 I1500 F1507I1475-L1479 HydrophobicContact CG2-CD1 4.33Å; I1475-L1479 PolarHBondContact O-N 2.79Å; I1475-L1479 VanDerWaalsContact O-N 3.12Å; C1476-L1479 WeakPolarHBondContact O-CB 3.41Å; C1476-L1479 PolarHBondContact O-N 3.12Å; R1477-L1479 VanDerWaalsContact C-N 3.26Å; R1477-L1479 PolarHBondContact O-N 3.42Å; L1479-I1500 HydrophobicContact CD1-CD1 3.81Å; L1479-I1500 HydrophobicContact CD1-CG1 3.76Å; L1479-F1507 HydrophobicContact CD1-CD1 4.36Å; L1479-F1507 HydrophobicContact CD1-CE1 3.83Å; L1479-F1507 HydrophobicContact CD1-CZ 3.98Å; L1479-F1507 HydrophobicContact CD2-CE1 3.83Å; L1479-F1507 HydrophobicContact CD2-CZ 3.8Å; L1479-F1507 HydrophobicContact CG-CE1 4.08Å; L1479-F1507 HydrophobicContact CG-CZ 4.37Å
1480S59.9Low62.1Low43 Ų4386.8 Ų86.830%0.30148%0.484SS..Hα-helixtrans-75.2-20.7176.965.80000114.7C1476 R1477 S1483C1476-S1480 PolarHBondContact O-N 2.88Å; C1476-S1480 VanDerWaalsContact O-N 3.16Å; R1477-S1480 WeakPolarHBondContact CA-OG 3.49Å; R1477-S1480 PolarHBondContact O-N 3.03Å; R1477-S1480 PolarHBondContact O-OG 3.05Å; S1480-S1483 PolarHBondContact O-OG 3.37Å; S1480-S1483 VanDerWaalsContact O-OG 3.12Å
1481N53.8Low60Low117 Ų11789 Ų8963%0.62649%0.493SS*.Hα-helixtrans-89-11.6-177-74.2-4.1000114.1R1477 N1478 S1483R1477-N1481 WeakPolarHBondContact O-CB 3.48Å; R1477-N1481 PolarHBondContact O-N 3.46Å; R1477-N1481 PolarHBondContact O-OD1 3.02Å; N1478-N1481 PolarHBondContact O-N 2.99Å; N1481-S1483 VanDerWaalsContact C-N 3.25Å; N1481-S1483 PolarHBondContact O-N 3.33Å
1482V51.4Low57.6Low128 Ų12893.2 Ų93.278%0.77652%0.517SS*.SBendtrans-75.2-16.2175.8171.40000111.9N1478 S1484N1478-V1482 WeakPolarHBondContact O-CG2 3.21Å; V1482-S1484 PolarHBondContact O-N 2.93Å
1483S46.8Very low55.8Low75 Ų7597 Ų9752%0.52454%0.541SS..  trans-93.971.1171.755.90000111.9S1480 N1481 D1485S1480-S1483 PolarHBondContact O-OG 3.37Å; S1480-S1483 VanDerWaalsContact O-OG 3.12Å; N1481-S1483 VanDerWaalsContact C-N 3.25Å; N1481-S1483 PolarHBondContact O-N 3.33Å; S1483-D1485 PolarHBondContact O-N 3.43Å
1484S37.1Very low54.5Low109 Ų10998.8 Ų98.876%0.76255%0.551SS**  trans-86.558.7169.669.40000111.8V1482V1482-S1484 PolarHBondContact O-N 2.93Å
1485D38.9Very low53.5Low145 Ų145102.7 Ų102.778%0.77557%0.566SS**SBendtrans-151.9138.6165.5-100.5-36.4000109.6S1483S1483-D1485 PolarHBondContact O-N 3.43Å
1486C38.8Very low52.6Low125 Ų125103.2 Ų103.285%0.84557%0.57SS**  trans77.1129.4173.7-57.20000119.1I1488C1486-I1488 PolarHBondContact O-N 2.97Å
1487N29.6Very low52.2Low170 Ų170103.7 Ų103.791%0.90957%0.571SS**  trans-83.398.8175.2-63.1-61.8000111.8
1488I40Very low51.9Low135 Ų13597 Ų9769%0.69255%0.547SS*.  trans-134.9119.8152.8-59.4-176.6000108.2C1486C1486-I1488 PolarHBondContact O-N 2.97Å
1489V29.5Very low51.9Low126 Ų12696.8 Ų96.876%0.76455%0.546SS*.  trans-88.4130.7170.9177.10000107.2
1490H35Very low52.3Low153 Ų15394.4 Ų94.471%0.70853%0.534SS*.SBendtrans111.2132.7-177-67.5-76.6000114.8N1492H1490-N1492 PolarHBondContact O-N 3.07Å
1491D47.4Very low53.1Low117 Ų11792.6 Ų92.663%0.62652%0.521SS*.  trans68.316.9165.5-48.1-12.6000119.9T1493D1491-T1493 PolarHBondContact O-N 3.33Å
1492N42.4Very low54.2Low107 Ų10789.2 Ų89.257%0.57250%0.502SS*.Hα-helixtrans-66-10.1167.2-76.9-13.2000114.7H1490H1490-N1492 PolarHBondContact O-N 3.07Å
1493T52.2Low55.5Low90 Ų9088.4 Ų88.455%0.55249%0.494SS*.Hα-helixtrans-70-41.6179.639.40000112.6D1491 Q1495 S1496 V1497D1491-T1493 PolarHBondContact O-N 3.33Å; T1493-Q1495 PolarHBondContact O-N 2.68Å; T1493-S1496 WeakPolarHBondContact O-CB 3.39Å; T1493-S1496 PolarHBondContact O-N 3.25Å; T1493-S1496 VanDerWaalsContact O-N 3.14Å; T1493-S1496 PolarHBondContact O-OG 2.85Å; T1493-V1497 PolarHBondContact O-N 3.02Å
1494D60.1Low57.2Low86 Ų8684.8 Ų84.846%0.4647%0.469SS..Hα-helixtrans-76.6-36.9-161.7-57.2-2.4000110.5S1496 V1497 M1498D1494-S1496 VanDerWaalsContact C-N 3.26Å; D1494-S1496 PolarHBondContact O-N 3.33Å; D1494-V1497 PolarHBondContact O-N 2.85Å; D1494-M1498 WeakPolarHBondContact O-CG 2.98Å; D1494-M1498 PolarHBondContact O-N 3.43Å
1495Q66.7Low59.3Low128 Ų12885.6 Ų85.660%0.59846%0.46SS*.Hα-helixtrans-59.9-35.5171.9-163.366.726.600112.4T1493 N1499T1493-Q1495 PolarHBondContact O-N 2.68Å; Q1495-N1499 WeakPolarHBondContact O-CB 3.4Å; Q1495-N1499 PolarHBondContact O-N 3Å; Q1495-N1499 PolarHBondContact O-ND2 3.21Å
1496S66.7Low61.2Low12 Ų1282.1 Ų82.18%0.08445%0.447CS..Hα-helixtrans-69.2-40.4178.778.50000112T1493 D1494 N1499 I1500T1493-S1496 WeakPolarHBondContact O-CB 3.39Å; T1493-S1496 PolarHBondContact O-N 3.25Å; T1493-S1496 VanDerWaalsContact O-N 3.14Å; T1493-S1496 PolarHBondContact O-OG 2.85Å; D1494-S1496 VanDerWaalsContact C-N 3.26Å; D1494-S1496 PolarHBondContact O-N 3.33Å; S1496-N1499 PolarHBondContact O-N 3.39Å; S1496-I1500 WeakPolarHBondContact O-CG1 3.43Å; S1496-I1500 PolarHBondContact O-N 2.86Å
1497V73.2Confident63.4Low29 Ų2977.7 Ų77.718%0.17641%0.414CS..Hα-helixtrans-69.4-40.9177.51790000110.7T1493 D1494 N1499 I1500 L1501T1493-V1497 PolarHBondContact O-N 3.02Å; D1494-V1497 PolarHBondContact O-N 2.85Å; V1497-N1499 PolarHBondContact O-N 2.95Å; V1497-I1500 PolarHBondContact O-N 3.06Å; V1497-L1501 WeakPolarHBondContact O-CB 3.45Å; V1497-L1501 PolarHBondContact O-N 3.41Å
1498M73.8Confident66.1Low20 Ų2070.2 Ų70.210%0.09937%0.373CS..Hα-helixtrans-63.9-39175.5-74.6-63.4-74.200112.7D1172 Y1217 Q1221 D1494 I1500 L1501 L1502D1172-M1498 HydrophobicContact CB-CE 3.76Å; D1172-M1498 WeakPolarHBondContact OD1-CE 3.3Å; Y1217-M1498 HydrophobicContact CD2-SD 4.08Å; Y1217-M1498 HydrophobicContact CE2-CE 3.92Å; Y1217-M1498 HydrophobicContact CE2-SD 3.75Å; Q1221-M1498 HydrophobicContact CG-SD 4.48Å; D1494-M1498 WeakPolarHBondContact O-CG 2.98Å; D1494-M1498 PolarHBondContact O-N 3.43Å; M1498-I1500 VanDerWaalsContact C-N 3.34Å; M1498-I1500 PolarHBondContact O-N 2.93Å; M1498-L1501 PolarHBondContact O-N 3.35Å; M1498-L1502 WeakPolarHBondContact O-CB 3.31Å; M1498-L1502 VanDerWaalsContact O-CG 3.26Å; M1498-L1502 WeakPolarHBondContact O-CG 3.06Å; M1498-L1502 PolarHBondContact O-N 3.19Å
1499N75.5Confident68.3Low66 Ų6668.7 Ų68.735%0.35337%0.37SS..Hα-helixtrans-61.5-40.4173.3-74.7-22.1000112.2Q1495 S1496 V1497 N1503Q1495-N1499 WeakPolarHBondContact O-CB 3.4Å; Q1495-N1499 PolarHBondContact O-N 3Å; Q1495-N1499 PolarHBondContact O-ND2 3.21Å; S1496-N1499 PolarHBondContact O-N 3.39Å; V1497-N1499 PolarHBondContact O-N 2.95Å; N1499-N1503 PolarHBondContact O-N 2.99Å
1500I78.8Confident71.1Confident2 Ų266.3 Ų66.31%0.0135%0.351CS..Hα-helixtrans-66.1-42.3174.5-67.8165.9000111.2V1334 Y1472 I1475 C1476 L1479 S1496 V1497 M1498 L1502 N1503 P1504 F1507V1334-I1500 HydrophobicContact CB-CG2 3.73Å; V1334-I1500 HydrophobicContact CG2-CG2 3.88Å; Y1472-I1500 HydrophobicContact CE2-CD1 4.33Å; I1475-I1500 HydrophobicContact CG2-CD1 4.33Å; C1476-I1500 VanDerWaalsContact SG-CD1 3.6Å; L1479-I1500 HydrophobicContact CD1-CD1 3.81Å; L1479-I1500 HydrophobicContact CD1-CG1 3.76Å; S1496-I1500 WeakPolarHBondContact O-CG1 3.43Å; S1496-I1500 PolarHBondContact O-N 2.86Å; V1497-I1500 PolarHBondContact O-N 3.06Å; M1498-I1500 VanDerWaalsContact C-N 3.34Å; M1498-I1500 PolarHBondContact O-N 2.93Å; I1500-L1502 VanDerWaalsContact C-N 3.32Å; I1500-L1502 PolarHBondContact O-N 3.08Å; I1500-N1503 CarbonylContact O-C 3.5Å; I1500-N1503 PolarHBondContact O-N 3.46Å; I1500-P1504 VanDerWaalsContact O-CA 3.28Å; I1500-P1504 WeakPolarHBondContact O-CA 3.37Å; I1500-P1504 WeakPolarHBondContact O-CD 3.44Å; I1500-P1504 VanDerWaalsContact O-N 3.1Å; I1500-F1507 HydrophobicContact CB-CD2 4.31Å; I1500-F1507 HydrophobicContact CG1-CD2 3.84Å; I1500-F1507 HydrophobicContact CG1-CE2 4.01Å; I1500-F1507 HydrophobicContact CG1-CG 4.29Å
1501L77.5Confident73.7Confident4 Ų459 Ų592%0.02132%0.317CS..Hα-helixtrans-67.3-32.7-178.7-167.9138.7000112.6L1175 R1213 V1216 Y1217 L1335 V1497 M1498L1175-L1501 HydrophobicContact CD1-CD2 4.26Å; R1213-L1501 HydrophobicContact CB-CD2 4.49Å; R1213-L1501 WeakPolarHBondContact CD-O 3.46Å; V1216-L1501 HydrophobicContact CG1-CD1 4.04Å; Y1217-L1501 HydrophobicContact CD2-CD1 4.34Å; Y1217-L1501 HydrophobicContact CD2-CD2 4.24Å; L1335-L1501 HydrophobicContact CD2-CG 4.48Å; V1497-L1501 WeakPolarHBondContact O-CB 3.45Å; V1497-L1501 PolarHBondContact O-N 3.41Å; M1498-L1501 PolarHBondContact O-N 3.35Å
1502L75.9Confident75.7Confident47 Ų4757.4 Ų57.425%0.24630%0.302CS..Hα-helixtrans-81.2-35.7176.4-66.5171.4000113T1171 R1213 M1498 I1500T1171-L1502 HydrophobicContact CG2-CD2 4.44Å; T1171-L1502 WeakPolarHBondContact OG1-CD2 3.31Å; R1213-L1502 VanDerWaalsContact CZ-O 3.29Å; R1213-L1502 PolarHBondContact NH1-O 3.02Å; R1213-L1502 PolarHBondContact NH2-O 3.41Å; M1498-L1502 WeakPolarHBondContact O-CB 3.31Å; M1498-L1502 VanDerWaalsContact O-CG 3.26Å; M1498-L1502 WeakPolarHBondContact O-CG 3.06Å; M1498-L1502 PolarHBondContact O-N 3.19Å; I1500-L1502 VanDerWaalsContact C-N 3.32Å; I1500-L1502 PolarHBondContact O-N 3.08Å
1503N80.3Confident77.9Confident110 Ų11055.8 Ų55.859%0.58830%0.3SS*.  trans-132.267.2-177.4-68.7-36.7000112.5N1499 I1500 E1505 S1506 F1507N1499-N1503 PolarHBondContact O-N 2.99Å; I1500-N1503 CarbonylContact O-C 3.5Å; I1500-N1503 PolarHBondContact O-N 3.46Å; N1503-E1505 PolarHBondContact O-N 3.48Å; N1503-S1506 PolarHBondContact O-OG 3.49Å; N1503-S1506 VanDerWaalsContact O-OG 3.1Å; N1503-F1507 WeakPolarHBondContact O-CD2 3.39Å; N1503-F1507 VanDerWaalsContact O-CE2 3.25Å; N1503-F1507 WeakPolarHBondContact O-CE2 3.39Å
1504P81.9Confident79.7Confident0 Ų053.8 Ų53.80%029%0.285CS..Hα-helixtrans-69.9-29.5-173.927.6-36.3000114.2P1332 V1334 L1335 I1500 S1506 F1507 E1508P1332-P1504 HydrophobicContact CB-CB 4.17Å; P1332-P1504 HydrophobicContact CG-CB 4.23Å; V1334-P1504 HydrophobicContact CG2-CB 3.77Å; L1335-P1504 HydrophobicContact CD1-CB 4.06Å; L1335-P1504 HydrophobicContact CD1-CG 4.09Å; L1335-P1504 HydrophobicContact CD2-CB 4.14Å; L1335-P1504 HydrophobicContact CG-CB 3.91Å; L1335-P1504 HydrophobicContact CG-CG 4.47Å; I1500-P1504 VanDerWaalsContact O-CA 3.28Å; I1500-P1504 WeakPolarHBondContact O-CA 3.37Å; I1500-P1504 WeakPolarHBondContact O-CD 3.44Å; I1500-P1504 VanDerWaalsContact O-N 3.1Å; P1504-S1506 PolarHBondContact O-N 2.98Å; P1504-F1507 PolarHBondContact O-N 3.3Å; P1504-F1507 VanDerWaalsContact O-N 3.13Å; P1504-E1508 PolarHBondContact O-N 3.39Å
1505E81Confident81.1Confident125 Ų12549.8 Ų49.858%0.58426%0.263SS*.Hα-helixtrans-63.7-36.2-170.8-67.8168.8-157.800113.6N1503 F1507 T1509N1503-E1505 PolarHBondContact O-N 3.48Å; E1505-F1507 VanDerWaalsContact C-N 3.27Å; E1505-F1507 PolarHBondContact O-N 3.09Å; E1505-T1509 PolarHBondContact O-OG1 3.4Å
1506S78.3Confident82.2Confident73 Ų7345.1 Ų45.151%0.5124%0.242SC..Hα-helixtrans-64.8-31.7176.646.60000112.7N1503 P1504N1503-S1506 PolarHBondContact O-OG 3.49Å; N1503-S1506 VanDerWaalsContact O-OG 3.1Å; P1504-S1506 PolarHBondContact O-N 2.98Å
1507F84.8Confident83.2Confident31 Ų3148.8 Ų48.814%0.13626%0.264CS..Hα-helixtrans-91.4-29.8-177.4-54.2-64.9000112.5V1334 I1475 L1479 I1500 N1503 P1504 E1505 T1509 Q1510 F1511V1334-F1507 HydrophobicContact CG1-CB 3.91Å; V1334-F1507 HydrophobicContact CG2-CB 4.39Å; I1475-F1507 HydrophobicContact CG2-CB 4.05Å; I1475-F1507 HydrophobicContact CG2-CD1 3.82Å; I1475-F1507 HydrophobicContact CG2-CG 4.13Å; L1479-F1507 HydrophobicContact CD1-CD1 4.36Å; L1479-F1507 HydrophobicContact CD1-CE1 3.83Å; L1479-F1507 HydrophobicContact CD1-CZ 3.98Å; L1479-F1507 HydrophobicContact CD2-CE1 3.83Å; L1479-F1507 HydrophobicContact CD2-CZ 3.8Å; L1479-F1507 HydrophobicContact CG-CE1 4.08Å; L1479-F1507 HydrophobicContact CG-CZ 4.37Å; I1500-F1507 HydrophobicContact CB-CD2 4.31Å; I1500-F1507 HydrophobicContact CG1-CD2 3.84Å; I1500-F1507 HydrophobicContact CG1-CE2 4.01Å; I1500-F1507 HydrophobicContact CG1-CG 4.29Å; N1503-F1507 WeakPolarHBondContact O-CD2 3.39Å; N1503-F1507 VanDerWaalsContact O-CE2 3.25Å; N1503-F1507 WeakPolarHBondContact O-CE2 3.39Å; P1504-F1507 PolarHBondContact O-N 3.3Å; P1504-F1507 VanDerWaalsContact O-N 3.13Å; E1505-F1507 VanDerWaalsContact C-N 3.27Å; E1505-F1507 PolarHBondContact O-N 3.09Å; F1507-T1509 VanDerWaalsContact C-N 3.32Å; F1507-T1509 PolarHBondContact O-N 2.95Å; F1507-Q1510 WeakPolarHBondContact O-CB 3.36Å; F1507-Q1510 PolarHBondContact O-N 3.18Å; F1507-F1511 WeakPolarHBondContact O-CB 3.24Å; F1507-F1511 PolarHBondContact O-N 3.24Å
1508E87.7Confident84.1Confident13 Ų1349 Ų496%0.06126%0.262CS..Hα-helixtrans-58.1-42.3175.2-178.963-173.900112.2P1332 F1333 P1504 Q1510 F1511 R1512P1332-E1508 WeakPolarHBondContact CA-OE2 3.42Å; P1332-E1508 HydrophobicContact CB-CB 4.2Å; P1332-E1508 HydrophobicContact CB-CG 4.15Å; P1332-E1508 WeakPolarHBondContact CB-OE2 3.15Å; F1333-E1508 WeakPolarHBondContact CD2-OE1 3.49Å; F1333-E1508 PolarHBondContact N-OE2 3.35Å; P1504-E1508 PolarHBondContact O-N 3.39Å; E1508-Q1510 PolarHBondContact O-N 2.81Å; E1508-F1511 PolarHBondContact O-N 3.32Å; E1508-R1512 WeakPolarHBondContact O-CG 3.18Å; E1508-R1512 PolarHBondContact O-N 3.2Å; E1508-R1512 IonicContact OE1-CZ 2.75Å; E1508-R1512 VanDerWaalsContact OE1-CZ 3.27Å; E1508-R1512 IonicContact OE1-NE 3.22Å; E1508-R1512 PolarHBondContact OE1-NE 3.41Å; E1508-R1512 IonicContact OE1-NH2 3.06Å; E1508-R1512 PolarHBondContact OE1-NH2 2.85Å
1509T85.4Confident84.7Confident103 Ų10349.5 Ų49.563%0.63226%0.262SS*.Hα-helixtrans-63.6-41.8178.1-55.20000111.5E1505 F1507 S1513E1505-T1509 PolarHBondContact O-OG1 3.4Å; F1507-T1509 VanDerWaalsContact C-N 3.32Å; F1507-T1509 PolarHBondContact O-N 2.95Å; T1509-S1513 WeakPolarHBondContact O-CB 3.36Å; T1509-S1513 PolarHBondContact O-N 2.93Å
1510Q87.9Confident85.2Confident76 Ų7650 Ų5036%0.35527%0.271SS..Hα-helixtrans-63.9-45.4174.9-175.7176.422.200111.1I1475 F1507 E1508 S1513 M1514I1475-Q1510 HydrophobicContact CG1-CG 4.46Å; F1507-Q1510 WeakPolarHBondContact O-CB 3.36Å; F1507-Q1510 PolarHBondContact O-N 3.18Å; E1508-Q1510 PolarHBondContact O-N 2.81Å; Q1510-S1513 PolarHBondContact O-N 2.94Å; Q1510-M1514 HydrophobicContact CG-SD 3.84Å; Q1510-M1514 VanDerWaalsContact O-CG 3.3Å; Q1510-M1514 WeakPolarHBondContact O-CG 3.34Å; Q1510-M1514 PolarHBondContact O-N 3.48Å
1511F90.7Very high85.4Confident0 Ų054.8 Ų54.80%030%0.304CS..Hα-helixtrans-59.1-50.7177.7-178.7-84.9000112.1F1333 V1334 I1337 L1413 S1468 F1471 I1475 F1507 E1508 S1513 M1514 F1515F1333-F1511 HydrophobicContact CB-CD1 3.65Å; F1333-F1511 HydrophobicContact CB-CD2 4.47Å; F1333-F1511 HydrophobicContact CB-CE1 3.5Å; F1333-F1511 VanDerWaalsContact CB-CE1 3.5Å; F1333-F1511 HydrophobicContact CB-CE2 4.32Å; F1333-F1511 HydrophobicContact CB-CG 4.16Å; F1333-F1511 HydrophobicContact CB-CZ 3.86Å; F1333-F1511 HydrophobicContact CD1-CE1 4.18Å; F1333-F1511 AromaticContact CD2-CD1 3.44Å; F1333-F1511 HydrophobicContact CD2-CD1 3.44Å; F1333-F1511 VanDerWaalsContact CD2-CD1 3.44Å; F1333-F1511 AromaticContact CD2-CE1 3.37Å; F1333-F1511 HydrophobicContact CD2-CE1 3.37Å; F1333-F1511 HydrophobicContact CD2-CZ 4.46Å; F1333-F1511 HydrophobicContact CE2-CD1 4.32Å; F1333-F1511 HydrophobicContact CE2-CE1 4.09Å; F1333-F1511 AromaticContact CG-CD1 3.79Å; F1333-F1511 HydrophobicContact CG-CD1 3.79Å; F1333-F1511 AromaticContact CG-CE1 3.42Å; F1333-F1511 HydrophobicContact CG-CE1 3.42Å; F1333-F1511 VanDerWaalsContact CG-CE1 3.42Å; F1333-F1511 HydrophobicContact CG-CZ 4.11Å; V1334-F1511 HydrophobicContact CG1-CB 4.31Å; I1337-F1511 HydrophobicContact CD1-CD2 4.45Å; I1337-F1511 HydrophobicContact CD1-CE2 3.52Å; I1337-F1511 HydrophobicContact CD1-CZ 3.74Å; L1413-F1511 HydrophobicContact CD2-CE1 4.04Å; L1413-F1511 HydrophobicContact CD2-CZ 4.39Å; S1468-F1511 WeakPolarHBondContact O-CE2 3.34Å; F1471-F1511 HydrophobicContact CB-CD2 3.99Å; F1471-F1511 HydrophobicContact CB-CE2 3.87Å; I1475-F1511 HydrophobicContact CD1-CB 3.79Å; I1475-F1511 HydrophobicContact CD1-CD2 4.14Å; I1475-F1511 HydrophobicContact CD1-CG 4.49Å; F1507-F1511 WeakPolarHBondContact O-CB 3.24Å; F1507-F1511 PolarHBondContact O-N 3.24Å; E1508-F1511 PolarHBondContact O-N 3.32Å; F1511-S1513 VanDerWaalsContact C-N 3.33Å; F1511-S1513 PolarHBondContact O-N 3.3Å; F1511-M1514 PolarHBondContact O-N 3.03Å; F1511-F1515 HydrophobicContact CE1-CB 4.33Å; F1511-F1515 PolarHBondContact O-N 3.41Å
1512R89.9Confident85.6Confident83 Ų8357.6 Ų57.631%0.31332%0.319SS..Hα-helixtrans-59.3-43.3179.8-72.7-176.7-174.2-156.6-0.4111.6F1333 E1508 F1515 M1516F1333-R1512 HydrophobicContact CD2-CG 4.49Å; F1333-R1512 HydrophobicContact CE2-CG 4.37Å; E1508-R1512 WeakPolarHBondContact O-CG 3.18Å; E1508-R1512 PolarHBondContact O-N 3.2Å; E1508-R1512 IonicContact OE1-CZ 2.75Å; E1508-R1512 VanDerWaalsContact OE1-CZ 3.27Å; E1508-R1512 IonicContact OE1-NE 3.22Å; E1508-R1512 PolarHBondContact OE1-NE 3.41Å; E1508-R1512 IonicContact OE1-NH2 3.06Å; E1508-R1512 PolarHBondContact OE1-NH2 2.85Å; R1512-F1515 PolarHBondContact O-N 2.96Å; R1512-M1516 WeakPolarHBondContact O-CB 3.44Å; R1512-M1516 VanDerWaalsContact O-CG 3.3Å; R1512-M1516 WeakPolarHBondContact O-CG 3.42Å; R1512-M1516 PolarHBondContact O-N 3.22Å
1513S87.4Confident85.6Confident74 Ų7460.9 Ų60.952%0.51734%0.335SS..Hα-helixtrans-61.5-46.7176.5-178.90000112.5T1509 Q1510 F1511 F1515 T1517T1509-S1513 WeakPolarHBondContact O-CB 3.36Å; T1509-S1513 PolarHBondContact O-N 2.93Å; Q1510-S1513 PolarHBondContact O-N 2.94Å; F1511-S1513 VanDerWaalsContact C-N 3.33Å; F1511-S1513 PolarHBondContact O-N 3.3Å; S1513-F1515 PolarHBondContact O-N 2.84Å; S1513-T1517 WeakPolarHBondContact O-CB 3.22Å; S1513-T1517 PolarHBondContact O-N 3.05Å; S1513-T1517 VanDerWaalsContact O-N 3.07Å; S1513-T1517 PolarHBondContact O-OG1 2.73Å
1514M90.3Very high85.4Confident47 Ų4757 Ų5723%0.23231%0.313CS..Hα-helixtrans-61.9-43.3176.2-70.3169.762.200111.8F1471 V1474 Q1510 F1511 W1518F1471-M1514 HydrophobicContact CB-CE 4.05Å; F1471-M1514 HydrophobicContact CD1-CB 4.24Å; F1471-M1514 HydrophobicContact CD1-CE 3.51Å; F1471-M1514 HydrophobicContact CD2-CB 4.42Å; F1471-M1514 HydrophobicContact CE1-CB 4.36Å; F1471-M1514 HydrophobicContact CE1-CE 4.23Å; F1471-M1514 HydrophobicContact CG-CB 4.25Å; F1471-M1514 HydrophobicContact CG-CE 4.04Å; V1474-M1514 HydrophobicContact CB-CE 4.23Å; V1474-M1514 HydrophobicContact CG1-CE 3.82Å; Q1510-M1514 HydrophobicContact CG-SD 3.84Å; Q1510-M1514 VanDerWaalsContact O-CG 3.3Å; Q1510-M1514 WeakPolarHBondContact O-CG 3.34Å; Q1510-M1514 PolarHBondContact O-N 3.48Å; F1511-M1514 PolarHBondContact O-N 3.03Å; M1514-W1518 PolarHBondContact O-N 3.22Å
1515F90.5Very high85Confident2 Ų266 Ų661%0.00935%0.352CS..Hα-helixtrans-68-45.6179.3-171.8-88.6000112.8I1409 L1413 F1471 F1511 R1512 S1513 T1517 W1518 Y1519 F1581I1409-F1515 HydrophobicContact CG2-CE1 4.03Å; L1413-F1515 HydrophobicContact CB-CE1 4.42Å; L1413-F1515 HydrophobicContact CB-CZ 4.41Å; L1413-F1515 HydrophobicContact CD1-CE2 3.78Å; L1413-F1515 HydrophobicContact CD1-CZ 3.76Å; L1413-F1515 HydrophobicContact CD2-CD1 3.87Å; L1413-F1515 HydrophobicContact CD2-CD2 3.71Å; L1413-F1515 HydrophobicContact CD2-CE1 3.84Å; L1413-F1515 HydrophobicContact CD2-CE2 3.68Å; L1413-F1515 HydrophobicContact CD2-CG 3.82Å; L1413-F1515 HydrophobicContact CD2-CZ 3.76Å; L1413-F1515 HydrophobicContact CG-CE1 4.48Å; L1413-F1515 HydrophobicContact CG-CE2 4.32Å; L1413-F1515 HydrophobicContact CG-CZ 4.17Å; F1471-F1515 HydrophobicContact CD2-CB 4.28Å; F1471-F1515 HydrophobicContact CD2-CD2 4.24Å; F1471-F1515 HydrophobicContact CE2-CB 4.18Å; F1471-F1515 HydrophobicContact CE2-CD2 4.04Å; F1511-F1515 HydrophobicContact CE1-CB 4.33Å; F1511-F1515 PolarHBondContact O-N 3.41Å; R1512-F1515 PolarHBondContact O-N 2.96Å; S1513-F1515 PolarHBondContact O-N 2.84Å; F1515-T1517 VanDerWaalsContact C-N 3.31Å; F1515-T1517 PolarHBondContact O-N 3.49Å; F1515-W1518 HydrophobicContact CD2-CE3 4.38Å; F1515-W1518 AromaticContact CE2-CE3 3.96Å; F1515-W1518 HydrophobicContact CE2-CE3 3.96Å; F1515-W1518 AromaticContact CE2-CZ3 3.95Å; F1515-W1518 HydrophobicContact CE2-CZ3 3.95Å; F1515-W1518 HydrophobicContact CZ-CE3 4.19Å; F1515-W1518 HydrophobicContact CZ-CZ3 4.01Å; F1515-W1518 PolarHBondContact O-N 2.91Å; F1515-W1518 VanDerWaalsContact O-N 3.14Å; F1515-Y1519 HydrophobicContact CE1-CD2 4.37Å; F1515-Y1519 WeakPolarHBondContact O-CB 3.45Å; F1515-Y1519 PolarHBondContact O-N 3.25Å; F1515-F1581 HydrophobicContact CZ-CZ 4.35Å
1516M88.5Confident85Confident30 Ų3062 Ų6215%0.14833%0.332CS..Hα-helixtrans-65-35179.4-72.4-58-58.700112.6T1406 I1409 R1512 S1520T1406-M1516 HydrophobicContact CG2-CE 4.07Å; T1406-M1516 HydrophobicContact CG2-CG 3.98Å; T1406-M1516 HydrophobicContact CG2-SD 3.96Å; T1406-M1516 WeakPolarHBondContact OG1-CE 3.35Å; I1409-M1516 HydrophobicContact CB-SD 4.11Å; I1409-M1516 HydrophobicContact CD1-CE 3.82Å; I1409-M1516 HydrophobicContact CD1-SD 4.42Å; I1409-M1516 HydrophobicContact CG2-SD 3.78Å; R1512-M1516 WeakPolarHBondContact O-CB 3.44Å; R1512-M1516 VanDerWaalsContact O-CG 3.3Å; R1512-M1516 WeakPolarHBondContact O-CG 3.42Å; R1512-M1516 PolarHBondContact O-N 3.22Å; M1516-S1520 WeakPolarHBondContact O-CB 3.46Å; M1516-S1520 PolarHBondContact O-N 3.15Å; M1516-S1520 VanDerWaalsContact O-N 3.08Å; M1516-S1520 PolarHBondContact O-OG 3.47Å
1517T88.8Confident85.3Confident90 Ų9061.4 Ų61.455%0.55232%0.323SS*.Hα-helixtrans-61.7-45.6172.3-56.50000110.7S1513 F1515 C1521S1513-T1517 WeakPolarHBondContact O-CB 3.22Å; S1513-T1517 PolarHBondContact O-N 3.05Å; S1513-T1517 VanDerWaalsContact O-N 3.07Å; S1513-T1517 PolarHBondContact O-OG1 2.73Å; F1515-T1517 VanDerWaalsContact C-N 3.31Å; F1515-T1517 PolarHBondContact O-N 3.49Å; T1517-C1521 PolarHBondContact O-N 2.94Å; T1517-C1521 PolarHBondContact O-SG 3.17Å
1518W90.9Very high85.3Confident34 Ų3463.8 Ų63.813%0.12933%0.332CS..Hα-helixtrans-70.5-39.2179.1173.691.6000113.7L1463 Q1467 F1471 M1514 F1515 C1521 N1522 F1524L1463-W1518 HydrophobicContact CD1-CZ2 4.2Å; L1463-W1518 HydrophobicContact CD2-CH2 4.32Å; L1463-W1518 HydrophobicContact CD2-CZ2 4.09Å; L1463-W1518 HydrophobicContact CG-CH2 3.99Å; L1463-W1518 HydrophobicContact CG-CZ2 3.77Å; Q1467-W1518 HydrophobicContact CB-CD2 4.38Å; Q1467-W1518 HydrophobicContact CB-CH2 4.42Å; Q1467-W1518 HydrophobicContact CB-CZ2 4.09Å; Q1467-W1518 HydrophobicContact CG-CD2 3.72Å; Q1467-W1518 HydrophobicContact CG-CE3 4.33Å; Q1467-W1518 HydrophobicContact CG-CG 3.89Å; Q1467-W1518 HydrophobicContact CG-CZ2 4.16Å; F1471-W1518 HydrophobicContact CE2-CB 4.03Å; F1471-W1518 HydrophobicContact CE2-CG 4.32Å; F1471-W1518 HydrophobicContact CZ-CB 3.62Å; F1471-W1518 AromaticContact CZ-CG 3.93Å; F1471-W1518 HydrophobicContact CZ-CG 3.93Å; M1514-W1518 PolarHBondContact O-N 3.22Å; F1515-W1518 HydrophobicContact CD2-CE3 4.38Å; F1515-W1518 AromaticContact CE2-CE3 3.96Å; F1515-W1518 HydrophobicContact CE2-CE3 3.96Å; F1515-W1518 AromaticContact CE2-CZ3 3.95Å; F1515-W1518 HydrophobicContact CE2-CZ3 3.95Å; F1515-W1518 HydrophobicContact CZ-CE3 4.19Å; F1515-W1518 HydrophobicContact CZ-CZ3 4.01Å; F1515-W1518 PolarHBondContact O-N 2.91Å; F1515-W1518 VanDerWaalsContact O-N 3.14Å; W1518-C1521 PolarHBondContact O-N 3.07Å; W1518-C1521 VanDerWaalsContact O-N 3.14Å; W1518-N1522 HydrophobicContact CH2-CB 4.3Å; W1518-N1522 HydrophobicContact CZ2-CB 4.09Å; W1518-N1522 PolarHBondContact NE1-ND2 2.91Å; W1518-N1522 PolarHBondContact O-N 3.36Å; W1518-N1522 VanDerWaalsContact O-N 3.12Å; W1518-N1522 PolarHBondContact O-ND2 3.47Å; W1518-F1524 HydrophobicContact CH2-CE2 4.45Å; W1518-F1524 HydrophobicContact CH2-CZ 4.32Å
1519Y87.1Confident85.1Confident29 Ų2968.5 Ų68.511%0.11435%0.353CS..Hα-helixtrans-62.9-42.9177.5179.2-91.3000111.2I1409 F1515 C1521 N1522 I1523 F1524 F1581I1409-Y1519 HydrophobicContact CD1-CD1 3.74Å; I1409-Y1519 HydrophobicContact CD1-CE1 3.39Å; I1409-Y1519 HydrophobicContact CG1-CD1 4.33Å; I1409-Y1519 HydrophobicContact CG1-CE1 3.84Å; I1409-Y1519 HydrophobicContact CG2-CD1 4.03Å; I1409-Y1519 HydrophobicContact CG2-CD2 4Å; I1409-Y1519 HydrophobicContact CG2-CE1 4.24Å; I1409-Y1519 HydrophobicContact CG2-CE2 4.19Å; I1409-Y1519 HydrophobicContact CG2-CG 3.92Å; F1515-Y1519 HydrophobicContact CE1-CD2 4.37Å; F1515-Y1519 WeakPolarHBondContact O-CB 3.45Å; F1515-Y1519 PolarHBondContact O-N 3.25Å; Y1519-C1521 PolarHBondContact O-N 3.2Å; Y1519-N1522 CarbonylContact O-C 3.57Å; Y1519-N1522 VanDerWaalsContact O-C 3.27Å; Y1519-N1522 PolarHBondContact O-N 2.86Å; Y1519-I1523 PolarHBondContact O-N 3.38Å; Y1519-F1524 HydrophobicContact CE2-CD2 4.34Å; Y1519-F1581 HydrophobicContact CD2-CE1 4.47Å; Y1519-F1581 HydrophobicContact CD2-CE2 4.43Å; Y1519-F1581 HydrophobicContact CD2-CZ 4.36Å; Y1519-F1581 HydrophobicContact CE2-CB 4.3Å; Y1519-F1581 AromaticContact CE2-CD1 3.88Å; Y1519-F1581 HydrophobicContact CE2-CD1 3.88Å; Y1519-F1581 AromaticContact CE2-CD2 3.75Å; Y1519-F1581 HydrophobicContact CE2-CD2 3.75Å; Y1519-F1581 HydrophobicContact CE2-CE1 4.11Å; Y1519-F1581 AromaticContact CE2-CE2 3.97Å; Y1519-F1581 HydrophobicContact CE2-CE2 3.97Å; Y1519-F1581 AromaticContact CE2-CG 3.7Å; Y1519-F1581 HydrophobicContact CE2-CG 3.7Å; Y1519-F1581 HydrophobicContact CE2-CZ 4.15Å
1520S84.9Confident85.1Confident77 Ų7764.8 Ų64.854%0.53833%0.328SS..Hα-helixtrans-58.4-28.5174.7-60.20000113.1M1516M1516-S1520 WeakPolarHBondContact O-CB 3.46Å; M1516-S1520 PolarHBondContact O-N 3.15Å; M1516-S1520 VanDerWaalsContact O-N 3.08Å; M1516-S1520 PolarHBondContact O-OG 3.47Å
1521C84.8Confident85Confident103 Ų10361.5 Ų61.570%0.69631%0.313SS*.Hα-helixtrans-84.7-16.9173.1-62.10000114.2T1517 W1518 Y1519T1517-C1521 PolarHBondContact O-N 2.94Å; T1517-C1521 PolarHBondContact O-SG 3.17Å; W1518-C1521 PolarHBondContact O-N 3.07Å; W1518-C1521 VanDerWaalsContact O-N 3.14Å; Y1519-C1521 PolarHBondContact O-N 3.2Å
1522N81.6Confident84.8Confident63 Ų6365.1 Ų65.134%0.33733%0.329SS..SBendtrans-128.653.9-171.5-65.4-84.8000111.4W1518 Y1519 F1524W1518-N1522 HydrophobicContact CH2-CB 4.3Å; W1518-N1522 HydrophobicContact CZ2-CB 4.09Å; W1518-N1522 PolarHBondContact NE1-ND2 2.91Å; W1518-N1522 PolarHBondContact O-N 3.36Å; W1518-N1522 VanDerWaalsContact O-N 3.12Å; W1518-N1522 PolarHBondContact O-ND2 3.47Å; Y1519-N1522 CarbonylContact O-C 3.57Å; Y1519-N1522 VanDerWaalsContact O-C 3.27Å; Y1519-N1522 PolarHBondContact O-N 2.86Å; N1522-F1524 PolarHBondContact O-N 3.14Å; N1522-F1524 VanDerWaalsContact O-N 3.15Å
1523I75.5Confident84.5Confident115 Ų11561.6 Ų61.659%0.5932%0.318SS*.  trans-68.4111.1-179.3-57.1175000110.2Y1519 K1525Y1519-I1523 PolarHBondContact O-N 3.38Å; I1523-K1525 PolarHBondContact O-N 3.4Å
1524F76Confident84.5Confident28 Ų2858.4 Ų58.412%0.12330%0.295CS..  trans-69.6120.8172.8-60-83.4000110.6N1460 L1463 C1464 W1518 Y1519 N1522 Y1526 F1581N1460-F1524 HydrophobicContact CB-CD1 4Å; N1460-F1524 HydrophobicContact CB-CE1 3.76Å; N1460-F1524 HydrophobicContact CB-CZ 4.5Å; N1460-F1524 WeakPolarHBondContact OD1-CE1 3.36Å; L1463-F1524 HydrophobicContact CD2-CE1 4.18Å; L1463-F1524 HydrophobicContact CD2-CZ 4.04Å; C1464-F1524 WeakPolarHBondContact SG-CE2 3.45Å; C1464-F1524 VanDerWaalsContact SG-CZ 3.54Å; W1518-F1524 HydrophobicContact CH2-CE2 4.45Å; W1518-F1524 HydrophobicContact CH2-CZ 4.32Å; Y1519-F1524 HydrophobicContact CE2-CD2 4.34Å; N1522-F1524 PolarHBondContact O-N 3.14Å; N1522-F1524 VanDerWaalsContact O-N 3.15Å; F1524-Y1526 HydrophobicContact CB-CD2 4.5Å; F1524-Y1526 HydrophobicContact CB-CE2 3.84Å; F1524-F1581 AromaticContact CD2-CD2 3.93Å; F1524-F1581 HydrophobicContact CD2-CD2 3.93Å; F1524-F1581 HydrophobicContact CD2-CE2 4.07Å; F1524-F1581 HydrophobicContact CE2-CD2 4.32Å; F1524-F1581 AromaticContact CE2-CE2 3.99Å; F1524-F1581 HydrophobicContact CE2-CE2 3.99Å
1525K72.9Confident84.4Confident189 Ų18956.2 Ų56.282%0.82228%0.284SS*.  trans-91.2103.5174.2-65.6-171.6179.1-175.50110.2I1523I1523-K1525 PolarHBondContact O-N 3.4Å
1526Y81Confident84.1Confident41 Ų4157.7 Ų57.716%0.16129%0.292CS..  trans-84.2109.6168.2-57.7-83000108.5F1524 Y1530 F1581 M1582 V1590F1524-Y1526 HydrophobicContact CB-CD2 4.5Å; F1524-Y1526 HydrophobicContact CB-CE2 3.84Å; Y1526-Y1530 HydrophobicContact CD1-CD1 4Å; Y1526-Y1530 AromaticContact CD1-CE1 3.97Å; Y1526-Y1530 HydrophobicContact CD1-CE1 3.97Å; Y1526-Y1530 HydrophobicContact CD1-CG 4.38Å; Y1526-Y1530 HydrophobicContact CE1-CE1 4.24Å; Y1526-F1581 HydrophobicContact CE2-CB 4.3Å; Y1526-M1582 HydrophobicContact CD2-CB 4.03Å; Y1526-M1582 HydrophobicContact CE2-CB 4.47Å; Y1526-M1582 HydrophobicContact CG-CB 4.35Å; Y1526-M1582 HydrophobicContact CG-SD 4.45Å; Y1526-V1590 WeakPolarHBondContact O-CG2 3.49Å
1527N84.2Confident83.9Confident61 Ų6157 Ų5733%0.32629%0.29SS..  trans-112.2176.3177.869.9-12.1000111.2E1529 Y1530 L1531 V1590N1527-E1529 VanDerWaalsContact C-N 3.26Å; N1527-E1529 PolarHBondContact ND2-OE2 3.49Å; N1527-E1529 PolarHBondContact O-N 3.29Å; N1527-E1529 PolarHBondContact OD1-N 2.86Å; N1527-Y1530 WeakPolarHBondContact O-CB 3.06Å; N1527-Y1530 PolarHBondContact O-N 3.42Å; N1527-Y1530 VanDerWaalsContact O-N 3.15Å; N1527-Y1530 WeakPolarHBondContact OD1-CB 3.38Å; N1527-Y1530 PolarHBondContact OD1-N 3.43Å; N1527-L1531 PolarHBondContact O-N 3.31Å; N1527-V1590 WeakPolarHBondContact O-CG1 3.49Å
1528W84.7Confident83.8Confident82 Ų8252.8 Ų52.831%0.31126%0.264SS..Hα-helixtrans-62.9-31.4178.770.4-96.5000112.7Y1530 L1531 F1532 D1593 L1594W1528-Y1530 VanDerWaalsContact C-N 3.33Å; W1528-Y1530 PolarHBondContact O-N 3.48Å; W1528-L1531 PolarHBondContact O-N 2.85Å; W1528-F1532 HydrophobicContact CE3-CB 4.47Å; W1528-F1532 WeakPolarHBondContact O-CB 3.25Å; W1528-F1532 PolarHBondContact O-N 2.98Å; W1528-D1593 HydrophobicContact CB-CB 4.03Å; W1528-D1593 HydrophobicContact CG-CB 4.42Å; W1528-L1594 HydrophobicContact CB-CB 3.99Å; W1528-L1594 HydrophobicContact CE3-CD1 4.08Å
1529E85Confident83.6Confident111 Ų11151.5 Ų51.552%0.51926%0.261SS..Hα-helixtrans-63.3-39.1174.6-56173.9145.600111.5N1527 F1532 G1533N1527-E1529 VanDerWaalsContact C-N 3.26Å; N1527-E1529 PolarHBondContact ND2-OE2 3.49Å; N1527-E1529 PolarHBondContact O-N 3.29Å; N1527-E1529 PolarHBondContact OD1-N 2.86Å; E1529-F1532 PolarHBondContact O-N 3.16Å; E1529-G1533 PolarHBondContact O-N 3.46Å
1530Y84.6Confident83.4Confident26 Ų2654 Ų5410%0.10227%0.272CS..Hα-helixtrans-58.9-50.6175-171.6-86.1000110.8N1450 G1457 Y1526 N1527 W1528 G1533 L1534 E1576N1450-Y1530 WeakPolarHBondContact ND2-CA 3.4Å; N1450-Y1530 PolarHBondContact ND2-O 2.91Å; G1457-Y1530 VanDerWaalsContact CA-OH 3.3Å; G1457-Y1530 WeakPolarHBondContact CA-OH 3.47Å; Y1526-Y1530 HydrophobicContact CD1-CD1 4Å; Y1526-Y1530 AromaticContact CD1-CE1 3.97Å; Y1526-Y1530 HydrophobicContact CD1-CE1 3.97Å; Y1526-Y1530 HydrophobicContact CD1-CG 4.38Å; Y1526-Y1530 HydrophobicContact CE1-CE1 4.24Å; N1527-Y1530 WeakPolarHBondContact O-CB 3.06Å; N1527-Y1530 PolarHBondContact O-N 3.42Å; N1527-Y1530 VanDerWaalsContact O-N 3.15Å; N1527-Y1530 WeakPolarHBondContact OD1-CB 3.38Å; N1527-Y1530 PolarHBondContact OD1-N 3.43Å; W1528-Y1530 VanDerWaalsContact C-N 3.33Å; W1528-Y1530 PolarHBondContact O-N 3.48Å; Y1530-G1533 PolarHBondContact O-N 3.32Å; Y1530-L1534 PolarHBondContact O-N 3.34Å; Y1530-E1576 WeakPolarHBondContact CE1-OE1 3.46Å; Y1530-E1576 VanDerWaalsContact CZ-OE1 3.26Å; Y1530-E1576 PolarHBondContact OH-OE1 3.2Å
1531L86.6Confident83.2Confident6 Ų650.3 Ų50.33%0.03125%0.246CC..Hα-helixtrans-66.7-37.5179.4-174.361.5000112.2N1527 W1528 L1534 I1535 L1577 L1587 V1590 V1591 L1594N1527-L1531 PolarHBondContact O-N 3.31Å; W1528-L1531 PolarHBondContact O-N 2.85Å; L1531-L1534 HydrophobicContact CD1-CD2 4.4Å; L1531-L1534 WeakPolarHBondContact O-CB 3Å; L1531-L1534 PolarHBondContact O-N 3.48Å; L1531-I1535 HydrophobicContact CD1-CD1 3.94Å; L1531-I1535 HydrophobicContact CD1-CG1 4.44Å; L1531-I1535 HydrophobicContact CG-CD1 3.9Å; L1531-I1535 WeakPolarHBondContact O-CG1 3.49Å; L1531-I1535 PolarHBondContact O-N 3.15Å; L1531-I1535 VanDerWaalsContact O-N 3.08Å; L1531-L1577 HydrophobicContact CD1-CD2 4.24Å; L1531-L1587 HydrophobicContact CD2-CD1 4.48Å; L1531-V1590 HydrophobicContact CB-CG1 3.93Å; L1531-V1590 HydrophobicContact CD2-CG1 3.88Å; L1531-V1591 HydrophobicContact CD2-CG2 3.7Å; L1531-L1594 HydrophobicContact CB-CD2 4.23Å; L1531-L1594 HydrophobicContact CD2-CD2 3.58Å; L1531-L1594 HydrophobicContact CG-CD2 3.69Å
1532F86.8Confident83.1Confident77 Ų7746.3 Ų46.334%0.33822%0.218SC..Hα-helixtrans-60.8-47.8173.2-177.2-101.5000111.3W1528 E1529 L1534 I1535 D1536 L1594W1528-F1532 HydrophobicContact CE3-CB 4.47Å; W1528-F1532 WeakPolarHBondContact O-CB 3.25Å; W1528-F1532 PolarHBondContact O-N 2.98Å; E1529-F1532 PolarHBondContact O-N 3.16Å; F1532-L1534 PolarHBondContact O-N 3.48Å; F1532-I1535 PolarHBondContact O-N 2.9Å; F1532-I1535 VanDerWaalsContact O-N 3.08Å; F1532-D1536 HydrophobicContact CD1-CB 4.47Å; F1532-D1536 HydrophobicContact CE1-CB 4.09Å; F1532-D1536 HydrophobicContact CZ-CB 4.11Å; F1532-D1536 WeakPolarHBondContact O-CB 3.47Å; F1532-D1536 PolarHBondContact O-N 2.79Å; F1532-L1594 HydrophobicContact CB-CD1 3.77Å; F1532-L1594 HydrophobicContact CD2-CD1 4.05Å; F1532-L1594 HydrophobicContact CG-CD1 4.38Å
1533G83.6Confident82.9Confident8 Ų845.4 Ų45.48%0.08221%0.212CC..Hα-helixtrans-65.1-16.9177.300000114.5N1450 E1529 Y1530 P1537N1450-G1533 PolarHBondContact N-O 2.92Å; E1529-G1533 PolarHBondContact O-N 3.46Å; Y1530-G1533 PolarHBondContact O-N 3.32Å; G1533-P1537 WeakPolarHBondContact O-CD 3.38Å
1534L86.2Confident82.9Confident7 Ų745.3 Ų45.34%0.03720%0.204CC..Hα-helixtrans-85.3-32.3172.7-175.763.3000112.2Y1530 L1531 F1532 A1573 E1576 L1577Y1530-L1534 PolarHBondContact O-N 3.34Å; L1531-L1534 HydrophobicContact CD1-CD2 4.4Å; L1531-L1534 WeakPolarHBondContact O-CB 3Å; L1531-L1534 PolarHBondContact O-N 3.48Å; F1532-L1534 PolarHBondContact O-N 3.48Å; L1534-A1573 HydrophobicContact CD1-CB 4.13Å; L1534-A1573 HydrophobicContact CD2-CB 3.98Å; L1534-A1573 HydrophobicContact CG-CB 3.89Å; L1534-E1576 WeakPolarHBondContact CD1-OE2 3.42Å; L1534-L1577 HydrophobicContact CD2-CD2 4.35Å; L1534-L1577 HydrophobicContact CD2-CG 4.4Å
1535I87.8Confident83.1Confident1 Ų145.2 Ų45.21%0.00520%0.204CC..Hα-helixtrans-92.8-39.4-175.6-67.6170.6000113L1531 F1532 P1537 I1538 C1539 L1594 L1607 I1610L1531-I1535 HydrophobicContact CD1-CD1 3.94Å; L1531-I1535 HydrophobicContact CD1-CG1 4.44Å; L1531-I1535 HydrophobicContact CG-CD1 3.9Å; L1531-I1535 WeakPolarHBondContact O-CG1 3.49Å; L1531-I1535 PolarHBondContact O-N 3.15Å; L1531-I1535 VanDerWaalsContact O-N 3.08Å; F1532-I1535 PolarHBondContact O-N 2.9Å; F1532-I1535 VanDerWaalsContact O-N 3.08Å; I1535-P1537 VanDerWaalsContact C-N 3.33Å; I1535-I1538 WeakPolarHBondContact O-CA 3.41Å; I1535-I1538 WeakPolarHBondContact O-CB 3.37Å; I1535-I1538 PolarHBondContact O-N 3.34Å; I1535-C1539 PolarHBondContact O-N 3.32Å; I1535-L1594 HydrophobicContact CD1-CD2 4.09Å; I1535-L1607 HydrophobicContact CB-CD1 4.3Å; I1535-L1607 HydrophobicContact CD1-CD1 4.46Å; I1535-L1607 HydrophobicContact CG2-CD1 3.63Å; I1535-I1610 HydrophobicContact CB-CG2 4.38Å; I1535-I1610 HydrophobicContact CG1-CG2 4.26Å; I1535-I1610 HydrophobicContact CG2-CB 3.98Å; I1535-I1610 HydrophobicContact CG2-CD1 4.42Å; I1535-I1610 HydrophobicContact CG2-CG2 3.53Å
1536D85.3Confident83.2Confident33 Ų3336.3 Ų36.318%0.17617%0.166CC..Hα-helixtrans-51.7-38.8-179.8169.772.8000114.8F1532 I1538 C1539 K1540F1532-D1536 HydrophobicContact CD1-CB 4.47Å; F1532-D1536 HydrophobicContact CE1-CB 4.09Å; F1532-D1536 HydrophobicContact CZ-CB 4.11Å; F1532-D1536 WeakPolarHBondContact O-CB 3.47Å; F1532-D1536 PolarHBondContact O-N 2.79Å; D1536-I1538 VanDerWaalsContact C-N 3.29Å; D1536-I1538 PolarHBondContact O-N 3.23Å; D1536-C1539 WeakPolarHBondContact O-CB 3.49Å; D1536-C1539 PolarHBondContact O-N 3.38Å; D1536-K1540 WeakPolarHBondContact O-CG 3.45Å; D1536-K1540 PolarHBondContact O-N 3.3Å; D1536-K1540 VanDerWaalsContact OD1-CE 3.25Å; D1536-K1540 WeakPolarHBondContact OD1-CE 3.34Å; D1536-K1540 IonicContact OD1-NZ 3.65Å; D1536-K1540 PolarHBondContact OD1-NZ 2.91Å; D1536-K1540 VanDerWaalsContact OD2-CE 3.27Å; D1536-K1540 WeakPolarHBondContact OD2-CE 3.13Å; D1536-K1540 IonicContact OD2-NZ 3.78Å; D1536-K1540 PolarHBondContact OD2-NZ 3.37Å
1537P84.1Confident82.9Confident17 Ų1735.9 Ų35.911%0.1117%0.166CC..Hα-helixtrans-61-38.9174.1-24.937.3000112.4V1449 G1533 I1535 K1540 T1541V1449-P1537 HydrophobicContact CG1-CB 4.38Å; V1449-P1537 HydrophobicContact CG1-CG 3.54Å; G1533-P1537 WeakPolarHBondContact O-CD 3.38Å; I1535-P1537 VanDerWaalsContact C-N 3.33Å; P1537-K1540 PolarHBondContact O-N 3.01Å; P1537-T1541 VanDerWaalsContact O-CG2 3.26Å; P1537-T1541 WeakPolarHBondContact O-CG2 3.21Å; P1537-T1541 PolarHBondContact O-N 2.93Å
1538I87.2Confident82.3Confident0 Ų036.8 Ų36.80%017%0.165CC..Hα-helixtrans-67.6-42.4177.3-49.7176.8000109.4I1535 D1536 K1540 T1541 N1542 L1570 A1573 I1610I1535-I1538 WeakPolarHBondContact O-CA 3.41Å; I1535-I1538 WeakPolarHBondContact O-CB 3.37Å; I1535-I1538 PolarHBondContact O-N 3.34Å; D1536-I1538 VanDerWaalsContact C-N 3.29Å; D1536-I1538 PolarHBondContact O-N 3.23Å; I1538-K1540 VanDerWaalsContact C-N 3.34Å; I1538-K1540 PolarHBondContact O-N 2.98Å; I1538-T1541 PolarHBondContact O-N 3.41Å; I1538-T1541 VanDerWaalsContact O-N 3.16Å; I1538-T1541 PolarHBondContact O-OG1 2.92Å; I1538-N1542 PolarHBondContact O-N 2.98Å; I1538-N1542 VanDerWaalsContact O-N 3.08Å; I1538-L1570 HydrophobicContact CD1-CD2 4.33Å; I1538-L1570 HydrophobicContact CD1-CG 4.46Å; I1538-L1570 HydrophobicContact CG2-CD2 4.47Å; I1538-L1570 HydrophobicContact CG2-CG 4.19Å; I1538-A1573 HydrophobicContact CD1-CB 4.13Å; I1538-I1610 HydrophobicContact CB-CD1 3.9Å; I1538-I1610 HydrophobicContact CB-CG1 4.46Å; I1538-I1610 HydrophobicContact CB-CG2 4.35Å; I1538-I1610 HydrophobicContact CD1-CG2 4.27Å; I1538-I1610 HydrophobicContact CG2-CD1 3.7Å; I1538-I1610 HydrophobicContact CG2-CG1 3.87Å; I1538-I1610 HydrophobicContact CG2-CG2 4.21Å
1539C85.8Confident81.7Confident8 Ų833.7 Ų33.75%0.05416%0.159CC..Hα-helixtrans-53.8-51.3173-62.50000110.7I1535 D1536 T1541 N1542 Q1543 I1610I1535-C1539 PolarHBondContact O-N 3.32Å; D1536-C1539 WeakPolarHBondContact O-CB 3.49Å; D1536-C1539 PolarHBondContact O-N 3.38Å; C1539-T1541 VanDerWaalsContact C-N 3.34Å; C1539-T1541 PolarHBondContact O-N 3.33Å; C1539-N1542 WeakPolarHBondContact O-CB 3.5Å; C1539-N1542 PolarHBondContact O-N 3.32Å; C1539-N1542 VanDerWaalsContact O-N 3.1Å; C1539-Q1543 PolarHBondContact O-N 2.72Å; C1539-I1610 VanDerWaalsContact CA-CD1 3.49Å; C1539-I1610 HydrophobicContact CB-CD1 4.08Å; C1539-I1610 VanDerWaalsContact N-CD1 3.27Å; C1539-I1610 WeakPolarHBondContact SG-CD1 3.43Å
1540K82.2Confident81.6Confident80 Ų8029.2 Ų29.235%0.34814%0.138SC..Hα-helixtrans-60.4-39.2178.1-72.9166.5177.7163.80112.4D1536 P1537 I1538 N1542 Q1543 Y1548D1536-K1540 WeakPolarHBondContact O-CG 3.45Å; D1536-K1540 PolarHBondContact O-N 3.3Å; D1536-K1540 VanDerWaalsContact OD1-CE 3.25Å; D1536-K1540 WeakPolarHBondContact OD1-CE 3.34Å; D1536-K1540 IonicContact OD1-NZ 3.65Å; D1536-K1540 PolarHBondContact OD1-NZ 2.91Å; D1536-K1540 VanDerWaalsContact OD2-CE 3.27Å; D1536-K1540 WeakPolarHBondContact OD2-CE 3.13Å; D1536-K1540 IonicContact OD2-NZ 3.78Å; D1536-K1540 PolarHBondContact OD2-NZ 3.37Å; P1537-K1540 PolarHBondContact O-N 3.01Å; I1538-K1540 VanDerWaalsContact C-N 3.34Å; I1538-K1540 PolarHBondContact O-N 2.98Å; K1540-N1542 VanDerWaalsContact C-N 3.3Å; K1540-N1542 PolarHBondContact O-N 3.46Å; K1540-Q1543 PolarHBondContact O-N 2.99Å; K1540-Y1548 HydrophobicContact CB-CD2 4.36Å; K1540-Y1548 HydrophobicContact CB-CG 4.46Å; K1540-Y1548 WeakPolarHBondContact O-CD2 3.49Å
1541T82.2Confident81.3Confident0 Ų028.7 Ų28.70%014%0.138CC..Hα-helixtrans-69.2-23.6175.467.20000114.7P1537 I1538 C1539 Q1543 G1546 G1549 H1550 I1565 Q1566P1537-T1541 VanDerWaalsContact O-CG2 3.26Å; P1537-T1541 WeakPolarHBondContact O-CG2 3.21Å; P1537-T1541 PolarHBondContact O-N 2.93Å; I1538-T1541 PolarHBondContact O-N 3.41Å; I1538-T1541 VanDerWaalsContact O-N 3.16Å; I1538-T1541 PolarHBondContact O-OG1 2.92Å; C1539-T1541 VanDerWaalsContact C-N 3.34Å; C1539-T1541 PolarHBondContact O-N 3.33Å; T1541-Q1543 VanDerWaalsContact C-N 3.26Å; T1541-G1546 WeakPolarHBondContact O-CA 3.17Å; T1541-G1549 VanDerWaalsContact CG2-C 3.41Å; T1541-G1549 WeakPolarHBondContact CG2-O 3.43Å; T1541-H1550 HydrophobicContact CG2-CB 3.94Å; T1541-I1565 HydrophobicContact CG2-CG2 3.92Å; T1541-Q1566 PolarHBondContact O-NE2 3.47Å
1542N81.6Confident81.1Confident19 Ų1928.5 Ų28.510%0.10214%0.137CC..Hα-helixtrans-77.3-16.7174.9-157.840.1000111.8T233 I1538 C1539 K1540T233-N1542 PolarHBondContact OG1-ND2 2.71Å; I1538-N1542 PolarHBondContact O-N 2.98Å; I1538-N1542 VanDerWaalsContact O-N 3.08Å; C1539-N1542 WeakPolarHBondContact O-CB 3.5Å; C1539-N1542 PolarHBondContact O-N 3.32Å; C1539-N1542 VanDerWaalsContact O-N 3.1Å; K1540-N1542 VanDerWaalsContact C-N 3.3Å; K1540-N1542 PolarHBondContact O-N 3.46Å
1543Q78.1Confident80.8Confident44 Ų4425 Ų2521%0.20612%0.123CC..THydrogen-bonded Turntrans-87.1153.1172-58.9177.414.700111.2C1539 K1540 T1541 H1545 G1546 Y1603C1539-Q1543 PolarHBondContact O-N 2.72Å; K1540-Q1543 PolarHBondContact O-N 2.99Å; T1541-Q1543 VanDerWaalsContact C-N 3.26Å; Q1543-H1545 VanDerWaalsContact C-N 3.31Å; Q1543-H1545 PolarHBondContact O-N 3.36Å; Q1543-H1545 VanDerWaalsContact O-N 3.17Å; Q1543-G1546 PolarHBondContact O-N 3.39Å; Q1543-Y1603 VanDerWaalsContact NE2-CE1 3.34Å
1544R76.4Confident80.5Confident113 Ų11325.8 Ų25.843%0.42612%0.124SC..G310 helixtrans47.346.7171.2-59.9-175.7175.1179.9-2.2114.3L321 G1546 I1547 Y1548L321-R1544 HydrophobicContact CD2-CB 4.44Å; L321-R1544 HydrophobicContact CD2-CG 4.39Å; R1544-G1546 PolarHBondContact O-N 2.88Å; R1544-I1547 HydrophobicContact CB-CB 4.46Å; R1544-I1547 HydrophobicContact CB-CD1 4.38Å; R1544-I1547 WeakPolarHBondContact O-CB 3.35Å; R1544-I1547 WeakPolarHBondContact O-CG1 3.34Å; R1544-I1547 PolarHBondContact O-N 3.49Å; R1544-I1547 VanDerWaalsContact O-N 3.14Å; R1544-Y1548 HydrophobicContact CB-CE2 4.46Å; R1544-Y1548 PolarHBondContact NH1-OH 2.89Å
1545H79.2Confident80Confident26 Ų2626.9 Ų26.912%0.1213%0.127CC..G310 helixtrans50.837.6171.8-54.4-51.6000114.3L314 Q317 W330 Q1543 I1547L314-H1545 WeakPolarHBondContact CD1-NE2 3.49Å; Q317-H1545 PolarHBondContact OE1-NE2 3.26Å; Q317-H1545 VanDerWaalsContact OE1-NE2 3.14Å; W330-H1545 PolarHBondContact NE1-O 3.15Å; Q1543-H1545 VanDerWaalsContact C-N 3.31Å; Q1543-H1545 PolarHBondContact O-N 3.36Å; Q1543-H1545 VanDerWaalsContact O-N 3.17Å; H1545-I1547 PolarHBondContact O-N 3.49Å
1546G74.8Confident79.2Confident3 Ų329.4 Ų29.43%0.03114%0.14CC..G310 helixtrans78.511.6174.600000116.3T1541 Q1543 R1544 Y1548 G1549T1541-G1546 WeakPolarHBondContact O-CA 3.17Å; Q1543-G1546 PolarHBondContact O-N 3.39Å; R1544-G1546 PolarHBondContact O-N 2.88Å; G1546-Y1548 VanDerWaalsContact C-N 3.26Å; G1546-Y1548 PolarHBondContact O-N 3.11Å; G1546-G1549 PolarHBondContact O-N 2.92Å
1547I74.9Confident78.5Confident32 Ų3229.2 Ų29.216%0.16414%0.137CC..THydrogen-bonded Turntrans-46.6-44.9179.4-88.7175.8000113.6L321 T325 W330 R1544 H1545 G1549L321-I1547 HydrophobicContact CB-CD1 4Å; L321-I1547 HydrophobicContact CD1-CD1 3.88Å; L321-I1547 HydrophobicContact CD2-CD1 3.85Å; L321-I1547 HydrophobicContact CG-CD1 4.12Å; T325-I1547 HydrophobicContact CG2-CD1 4.33Å; W330-I1547 HydrophobicContact CD2-CD1 4.43Å; W330-I1547 HydrophobicContact CD2-CG1 3.66Å; W330-I1547 HydrophobicContact CE3-CD1 4.29Å; W330-I1547 HydrophobicContact CE3-CG1 3.99Å; W330-I1547 HydrophobicContact CG-CG1 4.3Å; W330-I1547 HydrophobicContact CH2-CD1 3.72Å; W330-I1547 HydrophobicContact CH2-CG1 3.86Å; W330-I1547 HydrophobicContact CZ2-CD1 3.84Å; W330-I1547 HydrophobicContact CZ2-CG1 3.48Å; W330-I1547 VanDerWaalsContact CZ2-CG1 3.48Å; W330-I1547 HydrophobicContact CZ3-CD1 3.95Å; W330-I1547 HydrophobicContact CZ3-CG1 4.08Å; R1544-I1547 HydrophobicContact CB-CB 4.46Å; R1544-I1547 HydrophobicContact CB-CD1 4.38Å; R1544-I1547 WeakPolarHBondContact O-CB 3.35Å; R1544-I1547 WeakPolarHBondContact O-CG1 3.34Å; R1544-I1547 PolarHBondContact O-N 3.49Å; R1544-I1547 VanDerWaalsContact O-N 3.14Å; H1545-I1547 PolarHBondContact O-N 3.49Å; I1547-G1549 PolarHBondContact O-N 3.15Å
1548Y71.9Confident77.7Confident79 Ų7929.8 Ų29.831%0.3114%0.139SC..THydrogen-bonded Turntrans-67.7-24.4-176.8-61.5-76.8000112.7K1540 R1544 G1546K1540-Y1548 HydrophobicContact CB-CD2 4.36Å; K1540-Y1548 HydrophobicContact CB-CG 4.46Å; K1540-Y1548 WeakPolarHBondContact O-CD2 3.49Å; R1544-Y1548 HydrophobicContact CB-CE2 4.46Å; R1544-Y1548 PolarHBondContact NH1-OH 2.89Å; G1546-Y1548 VanDerWaalsContact C-N 3.26Å; G1546-Y1548 PolarHBondContact O-N 3.11Å
1549G72.9Confident76.9Confident17 Ų1730.8 Ų30.818%0.17514%0.143CC..  trans64.7165.8-174.600000113.7T1541 G1546 I1547T1541-G1549 VanDerWaalsContact CG2-C 3.41Å; T1541-G1549 WeakPolarHBondContact CG2-O 3.43Å; G1546-G1549 PolarHBondContact O-N 2.92Å; I1547-G1549 PolarHBondContact O-N 3.15Å
1550H81.7Confident76.4Confident17 Ų1731.3 Ų31.38%0.07915%0.145CC..  trans-114.1151.9168.4-161.4-103.5000109.6R1437 T1541 A1552 A1553 I1565 G1569R1437-H1550 PolarHBondContact NH1-O 2.86Å; R1437-H1550 VanDerWaalsContact NH1-O 3.09Å; T1541-H1550 HydrophobicContact CG2-CB 3.94Å; H1550-A1552 VanDerWaalsContact C-N 3.31Å; H1550-A1552 VanDerWaalsContact ND1-CB 3.35Å; H1550-A1552 WeakPolarHBondContact ND1-CB 3.46Å; H1550-A1552 PolarHBondContact ND1-N 3.36Å; H1550-A1552 PolarHBondContact O-N 2.94Å; H1550-A1553 HydrophobicContact CB-CB 4.44Å; H1550-A1553 CarbonylContact O-C 3.55Å; H1550-A1553 PolarHBondContact O-N 3.12Å; H1550-I1565 HydrophobicContact CB-CG2 3.69Å; H1550-I1565 VanDerWaalsContact N-CG2 3.35Å; H1550-G1569 VanDerWaalsContact CE1-CA 3.46Å; H1550-G1569 WeakPolarHBondContact CE1-CA 3.29Å; H1550-G1569 WeakPolarHBondContact ND1-CA 3.46Å
1551S78.8Confident76Confident15 Ų1527.9 Ų27.911%0.10513%0.13CC..SBendtrans-63.6-37.5176.553.20000111.9A1430 F1453 A1553A1430-S1551 WeakPolarHBondContact CB-O 3.22Å; F1453-S1551 WeakPolarHBondContact CB-OG 3.45Å; S1551-A1553 VanDerWaalsContact C-N 3.28Å; S1551-A1553 PolarHBondContact O-N 3.29Å
1552A82.3Confident75.6Confident2 Ų228.2 Ų28.22%0.01713%0.132CC..SBendtrans-63.7-29.9174.300000113.4F1453 H1550 W1554 A1568 A1572F1453-A1552 HydrophobicContact CD2-CB 3.76Å; F1453-A1552 HydrophobicContact CE2-CB 4.19Å; F1453-A1552 HydrophobicContact CG-CB 4.25Å; H1550-A1552 VanDerWaalsContact C-N 3.31Å; H1550-A1552 VanDerWaalsContact ND1-CB 3.35Å; H1550-A1552 WeakPolarHBondContact ND1-CB 3.46Å; H1550-A1552 PolarHBondContact ND1-N 3.36Å; H1550-A1552 PolarHBondContact O-N 2.94Å; A1552-W1554 VanDerWaalsContact O-CD1 3.23Å; A1552-W1554 PolarHBondContact O-N 2.84Å; A1552-A1568 HydrophobicContact CB-CB 3.92Å; A1552-A1568 WeakPolarHBondContact CB-O 3.5Å; A1552-A1572 HydrophobicContact CB-CB 3.98Å
1553A81Confident75.2Confident5 Ų527.7 Ų27.74%0.04113%0.13CC..  trans-9370.2177.400000110.7R1437 H1550 S1551 E1560 I1565 A1568R1437-A1553 PolarHBondContact NH1-O 3.08Å; R1437-A1553 PolarHBondContact NH2-O 3.32Å; H1550-A1553 HydrophobicContact CB-CB 4.44Å; H1550-A1553 CarbonylContact O-C 3.55Å; H1550-A1553 PolarHBondContact O-N 3.12Å; S1551-A1553 VanDerWaalsContact C-N 3.28Å; S1551-A1553 PolarHBondContact O-N 3.29Å; A1553-E1560 WeakPolarHBondContact CA-OE2 3.33Å; A1553-I1565 HydrophobicContact CB-CB 4.2Å; A1553-I1565 HydrophobicContact CB-CG1 3.97Å; A1553-I1565 HydrophobicContact CB-CG2 3.99Å; A1553-A1568 HydrophobicContact CB-CB 3.98Å
1554W76.8Confident75.4Confident24 Ų2425.7 Ų25.79%0.09112%0.121CC..  trans-101.9-10.1-175.864.1-86.3000113.7H1426 L1429 A1430 A1433 A1552 E1560H1426-W1554 HydrophobicContact CB-CZ2 4.12Å; H1426-W1554 AromaticContact CD2-CZ2 3.84Å; L1429-W1554 HydrophobicContact CB-CD2 4.34Å; L1429-W1554 HydrophobicContact CB-CE3 3.91Å; L1429-W1554 HydrophobicContact CB-CH2 3.98Å; L1429-W1554 HydrophobicContact CB-CZ2 4.4Å; L1429-W1554 HydrophobicContact CB-CZ3 3.71Å; L1429-W1554 HydrophobicContact CD1-CH2 3.64Å; L1429-W1554 HydrophobicContact CD1-CZ2 4.44Å; L1429-W1554 HydrophobicContact CD1-CZ3 3.89Å; L1429-W1554 HydrophobicContact CG-CH2 4.47Å; L1429-W1554 HydrophobicContact CG-CZ3 4.39Å; A1430-W1554 HydrophobicContact CB-CB 4.14Å; A1430-W1554 HydrophobicContact CB-CG 3.79Å; A1433-W1554 HydrophobicContact CB-CB 3.89Å; A1552-W1554 VanDerWaalsContact O-CD1 3.23Å; A1552-W1554 PolarHBondContact O-N 2.84Å; W1554-E1560 PolarHBondContact N-OE2 2.96Å
1555R75.9Confident75.8Confident29 Ų2921.9 Ų21.911%0.10911%0.108CC..SBendtrans-81.5169.3176.4-61.2-170.8-176.993.6-7.5110.7R1351 Y1559 E1560 E1561R1351-R1555 PolarHBondContact O-NH2 3.45Å; R1555-Y1559 WeakPolarHBondContact CD-O 3.19Å; R1555-E1560 WeakPolarHBondContact CB-OE2 3.29Å; R1555-E1560 PolarHBondContact N-OE2 2.79Å; R1555-E1560 VanDerWaalsContact N-OE2 3.13Å; R1555-E1560 IonicContact NH1-OE1 2.71Å; R1555-E1560 PolarHBondContact NH1-OE1 3.38Å; R1555-E1561 IonicContact CZ-OE1 2.68Å; R1555-E1561 IonicContact NH1-OE1 3.88Å; R1555-E1561 PolarHBondContact NH1-OE1 3.43Å; R1555-E1561 IonicContact NH2-OE1 2.58Å; R1555-E1561 PolarHBondContact NH2-OE1 2.78Å
1556I70Confident76.1Confident55 Ų5521 Ų2128%0.28210%0.104SC..  trans-70.6138.1165.6-59171.2000107N1558 Y1559 E1560I1556-N1558 PolarHBondContact O-N 3.08Å; I1556-N1558 VanDerWaalsContact O-N 3.07Å; I1556-Y1559 HydrophobicContact CB-CD2 4.32Å; I1556-Y1559 CarbonylContact O-C 3.5Å; I1556-Y1559 WeakPolarHBondContact O-CA 3.46Å; I1556-Y1559 PolarHBondContact O-N 3.02Å; I1556-E1560 PolarHBondContact O-N 3Å; I1556-E1560 VanDerWaalsContact O-N 3.14Å
1557W70.1Confident76.7Confident28 Ų2820.9 Ų20.911%0.10610%0.103CC..G310 helixtrans-54.3-30.9-171.972-88.8000115.8L283 R284 T333 E336 Y1559 E1560L283-W1557 HydrophobicContact CD1-CB 4Å; R284-W1557 PolarHBondContact NH2-O 2.86Å; T333-W1557 HydrophobicContact CG2-CB 4.31Å; T333-W1557 HydrophobicContact CG2-CG 3.85Å; E336-W1557 HydrophobicContact CB-CZ2 3.79Å; E336-W1557 PolarHBondContact OE2-NE1 2.97Å; W1557-Y1559 PolarHBondContact O-N 2.96Å; W1557-E1560 PolarHBondContact O-N 3.2Å
1558N67.5Low77.3Confident29 Ų2919.6 Ų19.616%0.15510%0.097CC..G310 helixtrans-62.7-23.3171.9-68.5-5.9000113.9I1556I1556-N1558 PolarHBondContact O-N 3.08Å; I1556-N1558 VanDerWaalsContact O-N 3.07Å
1559Y70.6Confident78.1Confident22 Ų2215.9 Ų15.99%0.0868%0.083CC..G310 helixtrans-116.57.2-178.3-62-59.8000112.3H678 R787 I791 R1555 I1556 W1557H678-Y1559 AromaticContact CE1-CZ 3.92Å; H678-Y1559 PolarHBondContact CE1-OH 2.81Å; H678-Y1559 AromaticContact NE2-CE2 3.77Å; H678-Y1559 AromaticContact NE2-CZ 3.67Å; H678-Y1559 PolarHBondContact NE2-OH 2.75Å; R787-Y1559 PolarHBondContact NH2-OH 2.63Å; I791-Y1559 HydrophobicContact CD1-CD1 4.08Å; I791-Y1559 HydrophobicContact CD1-CE1 3.7Å; I791-Y1559 HydrophobicContact CG1-CD1 4.22Å; I791-Y1559 HydrophobicContact CG1-CE1 4.34Å; R1555-Y1559 WeakPolarHBondContact CD-O 3.19Å; I1556-Y1559 HydrophobicContact CB-CD2 4.32Å; I1556-Y1559 CarbonylContact O-C 3.5Å; I1556-Y1559 WeakPolarHBondContact O-CA 3.46Å; I1556-Y1559 PolarHBondContact O-N 3.02Å; W1557-Y1559 PolarHBondContact O-N 2.96Å
1560E74.9Confident78.9Confident18 Ų1815 Ų158%0.0847%0.074CC..  trans-74138.7179.6-166.252.8-88.100110.8R284 A1553 W1554 R1555 I1556 W1557R284-E1560 PolarHBondContact NH2-O 3.31Å; R284-E1560 VanDerWaalsContact NH2-O 3.09Å; A1553-E1560 WeakPolarHBondContact CA-OE2 3.33Å; W1554-E1560 PolarHBondContact N-OE2 2.96Å; R1555-E1560 WeakPolarHBondContact CB-OE2 3.29Å; R1555-E1560 PolarHBondContact N-OE2 2.79Å; R1555-E1560 VanDerWaalsContact N-OE2 3.13Å; R1555-E1560 IonicContact NH1-OE1 2.71Å; R1555-E1560 PolarHBondContact NH1-OE1 3.38Å; I1556-E1560 PolarHBondContact O-N 3Å; I1556-E1560 VanDerWaalsContact O-N 3.14Å; W1557-E1560 PolarHBondContact O-N 3.2Å
1561E74.7Confident79.4Confident8 Ų814.7 Ų14.74%0.0377%0.072CC..SBendtrans-80.8-21-173.370.6-177100.900113.4R1352 P1353 V1354 N1355 R1555R1352-E1561 WeakPolarHBondContact CA-OE2 3.31Å; R1352-E1561 HydrophobicContact CB-CB 4.19Å; R1352-E1561 HydrophobicContact CG-CB 3.96Å; P1353-E1561 WeakPolarHBondContact CD-OE1 3.28Å; P1353-E1561 WeakPolarHBondContact CD-OE2 3.49Å; P1353-E1561 WeakPolarHBondContact CG-OE1 3.44Å; V1354-E1561 WeakPolarHBondContact CA-OE2 3.47Å; V1354-E1561 WeakPolarHBondContact CB-OE2 3.28Å; V1354-E1561 WeakPolarHBondContact CG2-OE1 3.42Å; V1354-E1561 PolarHBondContact N-OE2 2.73Å; N1355-E1561 PolarHBondContact N-OE2 3.04Å; N1355-E1561 VanDerWaalsContact N-OE2 3.07Å; N1355-E1561 PolarHBondContact ND2-O 2.93Å; R1555-E1561 IonicContact CZ-OE1 2.68Å; R1555-E1561 IonicContact NH1-OE1 3.88Å; R1555-E1561 PolarHBondContact NH1-OE1 3.43Å; R1555-E1561 IonicContact NH2-OE1 2.58Å; R1555-E1561 PolarHBondContact NH2-OE1 2.78Å
1562S74.2Confident79.9Confident7 Ų714.2 Ų14.25%0.0497%0.069CC..SBendtrans-102.7162.6175.268.50000110.7C1564 T1567 A1568S1562-C1564 PolarHBondContact OG-O 2.87Å; S1562-C1564 VanDerWaalsContact OG-O 3.13Å; S1562-T1567 WeakPolarHBondContact CB-OG1 3.4Å; S1562-A1568 WeakPolarHBondContact OG-CB 3.44Å
1563V73.6Confident80.4Confident8 Ų814.1 Ų14.15%0.0487%0.069CC..SBendtrans-71-46.1-175.2-179.60000110.9C236 R284 D858 Y862C236-V1563 HydrophobicContact CB-CG1 3.92Å; C236-V1563 WeakPolarHBondContact O-CB 3.32Å; R284-V1563 HydrophobicContact CB-CG1 3.78Å; D858-V1563 HydrophobicContact CB-CG2 3.54Å; Y862-V1563 HydrophobicContact CE2-CG1 4Å; Y862-V1563 HydrophobicContact CE2-CG2 3.87Å
1564C81.2Confident80.9Confident2 Ų213.9 Ų13.91%0.0147%0.067CC..SBendtrans-139.1169.6176.770.50000111.9C236 Q282 L283 S1562 Q1566 T1567 A1568C236-C1564 PolarHBondContact O-SG 3.47Å; Q282-C1564 HydrophobicContact CB-CB 4.33Å; L283-C1564 HydrophobicContact CB-CB 4.27Å; S1562-C1564 PolarHBondContact OG-O 2.87Å; S1562-C1564 VanDerWaalsContact OG-O 3.13Å; C1564-Q1566 VanDerWaalsContact C-N 3.26Å; C1564-Q1566 PolarHBondContact O-N 3.16Å; C1564-Q1566 PolarHBondContact SG-OE1 3.27Å; C1564-T1567 PolarHBondContact N-OG1 3.18Å; C1564-T1567 PolarHBondContact O-N 3.47Å; C1564-T1567 PolarHBondContact O-OG1 3.23Å; C1564-A1568 PolarHBondContact O-N 3.08Å
1565I84.6Confident81.7Confident33 Ų3312.8 Ų12.817%0.1696%0.063CC..Hα-helixtrans-60.5-37.1-177.6-64.7172.4000111.5L283 T1541 H1550 A1553 A1568 G1569L283-I1565 HydrophobicContact CD1-CG1 4.35Å; T1541-I1565 HydrophobicContact CG2-CG2 3.92Å; H1550-I1565 HydrophobicContact CB-CG2 3.69Å; H1550-I1565 VanDerWaalsContact N-CG2 3.35Å; A1553-I1565 HydrophobicContact CB-CB 4.2Å; A1553-I1565 HydrophobicContact CB-CG1 3.97Å; A1553-I1565 HydrophobicContact CB-CG2 3.99Å; I1565-A1568 WeakPolarHBondContact O-CB 3.41Å; I1565-A1568 PolarHBondContact O-N 3.42Å; I1565-G1569 PolarHBondContact O-N 2.84Å
1566Q86.7Confident82.4Confident7 Ų712 Ų123%0.0336%0.06CC..Hα-helixtrans-66.3-43.4-178.7-59.878.81.100111F235 T1541 C1564 A1568 G1569 L1570F235-Q1566 HydrophobicContact CD1-CB 3.79Å; F235-Q1566 HydrophobicContact CD1-CG 4.4Å; F235-Q1566 HydrophobicContact CE1-CB 4.05Å; F235-Q1566 HydrophobicContact CE1-CG 4.4Å; T1541-Q1566 PolarHBondContact O-NE2 3.47Å; C1564-Q1566 VanDerWaalsContact C-N 3.26Å; C1564-Q1566 PolarHBondContact O-N 3.16Å; C1564-Q1566 PolarHBondContact SG-OE1 3.27Å; Q1566-A1568 VanDerWaalsContact C-N 3.33Å; Q1566-A1568 PolarHBondContact O-N 3.18Å; Q1566-G1569 PolarHBondContact O-N 2.76Å; Q1566-G1569 VanDerWaalsContact O-N 3.17Å; Q1566-L1570 PolarHBondContact O-N 3.2Å
1567T86.9Confident83.4Confident1 Ų19.6 Ų9.61%0.0065%0.048CC..Hα-helixtrans-62.2-37.1174.154.50000113.1C236 I238 S1562 C1564 G1569 L1570 Y1571C236-T1567 WeakPolarHBondContact O-CG2 3.31Å; I238-T1567 HydrophobicContact CD1-CG2 3.71Å; I238-T1567 HydrophobicContact CG1-CG2 3.89Å; S1562-T1567 WeakPolarHBondContact CB-OG1 3.4Å; C1564-T1567 PolarHBondContact N-OG1 3.18Å; C1564-T1567 PolarHBondContact O-N 3.47Å; C1564-T1567 PolarHBondContact O-OG1 3.23Å; T1567-G1569 VanDerWaalsContact C-N 3.26Å; T1567-G1569 PolarHBondContact O-N 2.95Å; T1567-L1570 PolarHBondContact O-N 3.34Å; T1567-Y1571 WeakPolarHBondContact O-CD2 3.4Å; T1567-Y1571 PolarHBondContact O-N 3.23Å
1568A87.1Confident84.4Confident5 Ų58.3 Ų8.34%0.0414%0.043CC..Hα-helixtrans-58.9-39.8174.900000111.9A1552 A1553 S1562 C1564 I1565 Q1566 A1572A1552-A1568 HydrophobicContact CB-CB 3.92Å; A1552-A1568 WeakPolarHBondContact CB-O 3.5Å; A1553-A1568 HydrophobicContact CB-CB 3.98Å; S1562-A1568 WeakPolarHBondContact OG-CB 3.44Å; C1564-A1568 PolarHBondContact O-N 3.08Å; I1565-A1568 WeakPolarHBondContact O-CB 3.41Å; I1565-A1568 PolarHBondContact O-N 3.42Å; Q1566-A1568 VanDerWaalsContact C-N 3.33Å; Q1566-A1568 PolarHBondContact O-N 3.18Å; A1568-A1572 VanDerWaalsContact O-CB 3.31Å; A1568-A1572 WeakPolarHBondContact O-CB 3.48Å; A1568-A1572 PolarHBondContact O-N 3.2Å; A1568-A1572 VanDerWaalsContact O-N 3.12Å
1569G87.8Confident85.5Confident1 Ų17.1 Ų7.11%0.014%0.037CC..Hα-helixtrans-66.6-47175.700000112.9H1550 I1565 Q1566 T1567 Y1571 A1572 A1573H1550-G1569 VanDerWaalsContact CE1-CA 3.46Å; H1550-G1569 WeakPolarHBondContact CE1-CA 3.29Å; H1550-G1569 WeakPolarHBondContact ND1-CA 3.46Å; I1565-G1569 PolarHBondContact O-N 2.84Å; Q1566-G1569 PolarHBondContact O-N 2.76Å; Q1566-G1569 VanDerWaalsContact O-N 3.17Å; T1567-G1569 VanDerWaalsContact C-N 3.26Å; T1567-G1569 PolarHBondContact O-N 2.95Å; G1569-Y1571 PolarHBondContact O-N 3.19Å; G1569-A1572 PolarHBondContact O-N 3Å; G1569-A1573 WeakPolarHBondContact O-CB 3.36Å; G1569-A1573 PolarHBondContact O-N 2.76Å
1570L90.9Very high86.3Confident0 Ų06.4 Ų6.40%04%0.036CC..Hα-helixtrans-61.7-43.8179.2-74.4163.8000112.4F235 I238 I1538 Q1566 T1567 A1573 S1574 I1610 A1613 I1617F235-L1570 HydrophobicContact CD1-CD1 4.21Å; F235-L1570 HydrophobicContact CD2-CD1 3.94Å; F235-L1570 HydrophobicContact CE1-CD1 4.38Å; F235-L1570 HydrophobicContact CE2-CD1 4.12Å; F235-L1570 HydrophobicContact CG-CD1 3.98Å; F235-L1570 HydrophobicContact CZ-CD1 4.33Å; I238-L1570 HydrophobicContact CD1-CB 4.07Å; I238-L1570 HydrophobicContact CD1-CD1 3.32Å; I238-L1570 HydrophobicContact CD1-CG 4.3Å; I1538-L1570 HydrophobicContact CD1-CD2 4.33Å; I1538-L1570 HydrophobicContact CD1-CG 4.46Å; I1538-L1570 HydrophobicContact CG2-CD2 4.47Å; I1538-L1570 HydrophobicContact CG2-CG 4.19Å; Q1566-L1570 PolarHBondContact O-N 3.2Å; T1567-L1570 PolarHBondContact O-N 3.34Å; L1570-A1573 PolarHBondContact O-N 2.75Å; L1570-S1574 PolarHBondContact O-N 2.97Å; L1570-I1610 HydrophobicContact CD2-CG2 3.87Å; L1570-A1613 HydrophobicContact CD1-CB 4.35Å; L1570-A1613 HydrophobicContact CD2-CB 4.3Å; L1570-I1617 HydrophobicContact CB-CD1 3.95Å; L1570-I1617 HydrophobicContact CD1-CD1 4.45Å; L1570-I1617 HydrophobicContact CD2-CD1 4.44Å
1571Y91.1Very high87Confident9 Ų95.9 Ų5.94%0.0353%0.033CC..Hα-helixtrans-65.7-42.9174.9-68.3-55.2000112.2G237 P857 Y1358 T1567 G1569 A1573 S1574 I1575 I1617G237-Y1571 PolarHBondContact O-OH 2.98Å; P857-Y1571 HydrophobicContact CB-CE2 4.4Å; P857-Y1571 WeakPolarHBondContact CB-OH 3.41Å; P857-Y1571 HydrophobicContact CG-CE1 4.03Å; P857-Y1571 HydrophobicContact CG-CE2 3.98Å; P857-Y1571 VanDerWaalsContact CG-OH 3.27Å; P857-Y1571 WeakPolarHBondContact CG-OH 3.01Å; Y1358-Y1571 AromaticContact CD1-CD1 3.98Å; Y1358-Y1571 HydrophobicContact CD1-CD1 3.98Å; Y1358-Y1571 HydrophobicContact CD1-CE1 4Å; Y1358-Y1571 AromaticContact CD2-CD1 3.77Å; Y1358-Y1571 HydrophobicContact CD2-CD1 3.77Å; Y1358-Y1571 HydrophobicContact CD2-CE1 4.32Å; Y1358-Y1571 HydrophobicContact CE1-CD1 4.28Å; Y1358-Y1571 AromaticContact CE1-CE1 3.92Å; Y1358-Y1571 HydrophobicContact CE1-CE1 3.92Å; Y1358-Y1571 HydrophobicContact CE2-CD1 4.06Å; Y1358-Y1571 HydrophobicContact CE2-CE1 4.23Å; Y1358-Y1571 AromaticContact CG-CD1 3.72Å; Y1358-Y1571 HydrophobicContact CG-CD1 3.72Å; Y1358-Y1571 HydrophobicContact CG-CE1 4.21Å; T1567-Y1571 WeakPolarHBondContact O-CD2 3.4Å; T1567-Y1571 PolarHBondContact O-N 3.23Å; G1569-Y1571 PolarHBondContact O-N 3.19Å; Y1571-A1573 VanDerWaalsContact C-N 3.35Å; Y1571-A1573 PolarHBondContact O-N 3.16Å; Y1571-S1574 WeakPolarHBondContact CA-OG 3.43Å; Y1571-S1574 PolarHBondContact O-N 3.36Å; Y1571-S1574 PolarHBondContact O-OG 3.02Å; Y1571-I1575 WeakPolarHBondContact O-CD1 3.43Å; Y1571-I1575 WeakPolarHBondContact O-CG1 3.46Å; Y1571-I1575 PolarHBondContact O-N 3.38Å; Y1571-I1617 HydrophobicContact CD1-CG2 4.29Å; Y1571-I1617 HydrophobicContact CE1-CG2 4.17Å
1572A90.5Very high87.6Confident5 Ų56 Ų64%0.0413%0.034CC..Hα-helixtrans-58.4-44.2175.600000112.6I1452 F1453 A1552 A1568 G1569 I1575 E1576I1452-A1572 HydrophobicContact CG2-CB 4.28Å; F1453-A1572 HydrophobicContact CD2-CB 3.82Å; F1453-A1572 HydrophobicContact CE2-CB 4.15Å; A1552-A1572 HydrophobicContact CB-CB 3.98Å; A1568-A1572 VanDerWaalsContact O-CB 3.31Å; A1568-A1572 WeakPolarHBondContact O-CB 3.48Å; A1568-A1572 PolarHBondContact O-N 3.2Å; A1568-A1572 VanDerWaalsContact O-N 3.12Å; G1569-A1572 PolarHBondContact O-N 3Å; A1572-I1575 PolarHBondContact O-N 2.83Å; A1572-E1576 PolarHBondContact O-N 3.03Å; A1572-E1576 VanDerWaalsContact O-N 3.16Å
1573A91.5Very high88.1Confident1 Ų16.4 Ų6.41%0.0084%0.037CC..Hα-helixtrans-64.4-41.5175.900000112.3L1534 I1538 G1569 L1570 Y1571 I1575 E1576 L1577 L1614L1534-A1573 HydrophobicContact CD1-CB 4.13Å; L1534-A1573 HydrophobicContact CD2-CB 3.98Å; L1534-A1573 HydrophobicContact CG-CB 3.89Å; I1538-A1573 HydrophobicContact CD1-CB 4.13Å; G1569-A1573 WeakPolarHBondContact O-CB 3.36Å; G1569-A1573 PolarHBondContact O-N 2.76Å; L1570-A1573 PolarHBondContact O-N 2.75Å; Y1571-A1573 VanDerWaalsContact C-N 3.35Å; Y1571-A1573 PolarHBondContact O-N 3.16Å; A1573-I1575 PolarHBondContact O-N 2.94Å; A1573-E1576 PolarHBondContact O-N 3.12Å; A1573-L1577 WeakPolarHBondContact O-CG 3.38Å; A1573-L1577 PolarHBondContact O-N 2.95Å; A1573-L1614 HydrophobicContact CB-CD1 4.27Å
1574S92.3Very high88.8Confident0 Ų06.2 Ų6.20%04%0.036CC..Hα-helixtrans-63.7-40.1177.473.10000113Y1358 L1570 Y1571 E1576 L1577 M1578Y1358-S1574 VanDerWaalsContact CD2-OG 3.32Å; Y1358-S1574 WeakPolarHBondContact CD2-OG 3.48Å; L1570-S1574 PolarHBondContact O-N 2.97Å; Y1571-S1574 WeakPolarHBondContact CA-OG 3.43Å; Y1571-S1574 PolarHBondContact O-N 3.36Å; Y1571-S1574 PolarHBondContact O-OG 3.02Å; S1574-E1576 VanDerWaalsContact C-N 3.33Å; S1574-E1576 PolarHBondContact O-N 2.89Å; S1574-L1577 PolarHBondContact O-N 2.69Å; S1574-M1578 WeakPolarHBondContact O-CB 3.5Å; S1574-M1578 WeakPolarHBondContact O-CE 3.47Å; S1574-M1578 VanDerWaalsContact O-CG 3.31Å; S1574-M1578 WeakPolarHBondContact O-CG 3.39Å; S1574-M1578 PolarHBondContact O-N 2.73Å
1575I93Very high89Confident0 Ų010 Ų100%06%0.062CC..Hα-helixtrans-63.2-41.6176.3-71159.7000110.6V1354 C1357 L1361 V1419 I1452 Y1571 A1572 A1573 S1579V1354-I1575 HydrophobicContact CB-CD1 4.48Å; V1354-I1575 HydrophobicContact CG1-CD1 3.54Å; V1354-I1575 WeakPolarHBondContact O-CD1 3.25Å; C1357-I1575 HydrophobicContact CB-CD1 3.75Å; C1357-I1575 HydrophobicContact CB-CG1 4.1Å; C1357-I1575 HydrophobicContact CB-CG2 4.25Å; L1361-I1575 HydrophobicContact CD1-CB 4.28Å; L1361-I1575 HydrophobicContact CD1-CG1 4.43Å; L1361-I1575 HydrophobicContact CD1-CG2 3.85Å; V1419-I1575 HydrophobicContact CG1-CG2 4.11Å; V1419-I1575 HydrophobicContact CG2-CG2 4.27Å; I1452-I1575 HydrophobicContact CD1-CG2 4.09Å; Y1571-I1575 WeakPolarHBondContact O-CD1 3.43Å; Y1571-I1575 WeakPolarHBondContact O-CG1 3.46Å; Y1571-I1575 PolarHBondContact O-N 3.38Å; A1572-I1575 PolarHBondContact O-N 2.83Å; A1573-I1575 PolarHBondContact O-N 2.94Å; I1575-S1579 WeakPolarHBondContact O-CB 3.48Å; I1575-S1579 PolarHBondContact O-N 3.31Å; I1575-S1579 PolarHBondContact O-OG 3.31Å
1576E91.2Very high89.1Confident12 Ų1211.8 Ų11.86%0.0567%0.07CC..Hα-helixtrans-65.9-46.1177.8-173.6169.6159.900112G1451 I1452 Y1530 L1534 A1572 A1573 S1574 S1579 S1580G1451-E1576 WeakPolarHBondContact CA-OE2 3.48Å; I1452-E1576 PolarHBondContact N-OE2 2.89Å; Y1530-E1576 WeakPolarHBondContact CE1-OE1 3.46Å; Y1530-E1576 VanDerWaalsContact CZ-OE1 3.26Å; Y1530-E1576 PolarHBondContact OH-OE1 3.2Å; L1534-E1576 WeakPolarHBondContact CD1-OE2 3.42Å; A1572-E1576 PolarHBondContact O-N 3.03Å; A1572-E1576 VanDerWaalsContact O-N 3.16Å; A1573-E1576 PolarHBondContact O-N 3.12Å; S1574-E1576 VanDerWaalsContact C-N 3.33Å; S1574-E1576 PolarHBondContact O-N 2.89Å; E1576-S1579 PolarHBondContact O-N 3.25Å; E1576-S1579 PolarHBondContact O-OG 3.4Å; E1576-S1580 WeakPolarHBondContact O-CB 3.46Å; E1576-S1580 PolarHBondContact O-N 3.45Å
1577L91Very high89.3Confident6 Ų611.6 Ų11.63%0.0317%0.069CC..Hα-helixtrans-62.3-45.2175.7-68.9-175.9000112.1L1531 L1534 A1573 S1574 S1579 S1580 M1582 L1587 L1614 L1618L1531-L1577 HydrophobicContact CD1-CD2 4.24Å; L1534-L1577 HydrophobicContact CD2-CD2 4.35Å; L1534-L1577 HydrophobicContact CD2-CG 4.4Å; A1573-L1577 WeakPolarHBondContact O-CG 3.38Å; A1573-L1577 PolarHBondContact O-N 2.95Å; S1574-L1577 PolarHBondContact O-N 2.69Å; L1577-S1579 VanDerWaalsContact C-N 3.34Å; L1577-S1579 PolarHBondContact O-N 2.68Å; L1577-S1580 PolarHBondContact O-N 2.81Å; L1577-S1580 PolarHBondContact O-OG 3.36Å; L1577-M1582 HydrophobicContact CD2-CE 3.66Å; L1577-L1587 HydrophobicContact CD1-CD1 4.17Å; L1577-L1587 HydrophobicContact CD1-CD2 4.43Å; L1577-L1587 HydrophobicContact CD2-CD1 4.12Å; L1577-L1614 HydrophobicContact CD1-CD1 4.46Å; L1577-L1614 HydrophobicContact CD1-CD2 3.72Å; L1577-L1614 HydrophobicContact CD1-CG 4.21Å; L1577-L1618 HydrophobicContact CB-CD2 4.37Å; L1577-L1618 HydrophobicContact CD1-CD1 4.02Å
1578M91.3Very high89.4Confident0 Ų012.2 Ų12.20%07%0.073CC..Hα-helixtrans-65.7-32.5178-71.6-173-71.400113.1Y1358 L1361 H1362 R1412 S1574 L1618 P1619 Y1622Y1358-M1578 HydrophobicContact CD2-CE 3.87Å; Y1358-M1578 HydrophobicContact CE2-CE 4.23Å; L1361-M1578 HydrophobicContact CB-CB 4.12Å; L1361-M1578 HydrophobicContact CB-CE 3.8Å; L1361-M1578 HydrophobicContact CB-SD 3.92Å; L1361-M1578 HydrophobicContact CD1-CB 4.14Å; L1361-M1578 HydrophobicContact CD1-CE 4.49Å; H1362-M1578 HydrophobicContact CB-SD 4.3Å; R1412-M1578 PolarHBondContact NH1-O 2.65Å; S1574-M1578 WeakPolarHBondContact O-CB 3.5Å; S1574-M1578 WeakPolarHBondContact O-CE 3.47Å; S1574-M1578 VanDerWaalsContact O-CG 3.31Å; S1574-M1578 WeakPolarHBondContact O-CG 3.39Å; S1574-M1578 PolarHBondContact O-N 2.73Å; M1578-L1618 HydrophobicContact CG-CD2 3.81Å; M1578-L1618 HydrophobicContact SD-CD2 4.47Å; M1578-P1619 HydrophobicContact SD-CG 3.79Å; M1578-Y1622 HydrophobicContact CG-CE2 4.19Å
1579S90.8Very high89.5Confident5 Ų515 Ų154%0.0359%0.092CC..Hα-helixtrans-91.8-9.5178.9600000114.6Q1416 I1575 E1576 L1577Q1416-S1579 VanDerWaalsContact CG-O 3.25Å; Q1416-S1579 WeakPolarHBondContact CG-O 3.48Å; Q1416-S1579 PolarHBondContact NE2-O 3.05Å; I1575-S1579 WeakPolarHBondContact O-CB 3.48Å; I1575-S1579 PolarHBondContact O-N 3.31Å; I1575-S1579 PolarHBondContact O-OG 3.31Å; E1576-S1579 PolarHBondContact O-N 3.25Å; E1576-S1579 PolarHBondContact O-OG 3.4Å; L1577-S1579 VanDerWaalsContact C-N 3.34Å; L1577-S1579 PolarHBondContact O-N 2.68Å
1580S88Confident89.7Confident7 Ų715.6 Ų15.65%0.04910%0.095CC..SBendtrans-65.1160.3174.175.30000112.3R1412 E1576 L1577 M1582R1412-S1580 WeakPolarHBondContact CD-O 3.4Å; R1412-S1580 WeakPolarHBondContact CG-O 3.44Å; E1576-S1580 WeakPolarHBondContact O-CB 3.46Å; E1576-S1580 PolarHBondContact O-N 3.45Å; L1577-S1580 PolarHBondContact O-N 2.81Å; L1577-S1580 PolarHBondContact O-OG 3.36Å; S1580-M1582 PolarHBondContact O-N 3.06Å; S1580-M1582 WeakPolarHBondContact OG-CB 3.21Å; S1580-M1582 PolarHBondContact OG-N 2.67Å
1581F88.4Confident89.6Confident7 Ų716 Ų163%0.03110%0.098CC..SBendtrans-76-7.3172.4-64.1-73.4000113.3W1408 I1409 R1412 Q1416 F1515 Y1519 F1524 Y1526 S1583W1408-F1581 PolarHBondContact NE1-O 3.47Å; I1409-F1581 HydrophobicContact CG2-CD1 4.18Å; I1409-F1581 HydrophobicContact CG2-CE1 4Å; R1412-F1581 HydrophobicContact CB-CD1 3.74Å; R1412-F1581 HydrophobicContact CB-CE1 4.04Å; Q1416-F1581 VanDerWaalsContact NE2-CZ 3.33Å; F1515-F1581 HydrophobicContact CZ-CZ 4.35Å; Y1519-F1581 HydrophobicContact CD2-CE1 4.47Å; Y1519-F1581 HydrophobicContact CD2-CE2 4.43Å; Y1519-F1581 HydrophobicContact CD2-CZ 4.36Å; Y1519-F1581 HydrophobicContact CE2-CB 4.3Å; Y1519-F1581 AromaticContact CE2-CD1 3.88Å; Y1519-F1581 HydrophobicContact CE2-CD1 3.88Å; Y1519-F1581 AromaticContact CE2-CD2 3.75Å; Y1519-F1581 HydrophobicContact CE2-CD2 3.75Å; Y1519-F1581 HydrophobicContact CE2-CE1 4.11Å; Y1519-F1581 AromaticContact CE2-CE2 3.97Å; Y1519-F1581 HydrophobicContact CE2-CE2 3.97Å; Y1519-F1581 AromaticContact CE2-CG 3.7Å; Y1519-F1581 HydrophobicContact CE2-CG 3.7Å; Y1519-F1581 HydrophobicContact CE2-CZ 4.15Å; F1524-F1581 AromaticContact CD2-CD2 3.93Å; F1524-F1581 HydrophobicContact CD2-CD2 3.93Å; F1524-F1581 HydrophobicContact CD2-CE2 4.07Å; F1524-F1581 HydrophobicContact CE2-CD2 4.32Å; F1524-F1581 AromaticContact CE2-CE2 3.99Å; F1524-F1581 HydrophobicContact CE2-CE2 3.99Å; Y1526-F1581 HydrophobicContact CE2-CB 4.3Å; F1581-S1583 PolarHBondContact O-N 2.86Å
1582M87.8Confident89.5Confident10 Ų1016.7 Ų16.75%0.04910%0.104CC..  trans-68.5124.7-177.3-175.1169.652.200111.4Y1526 L1577 S1580 E1586 L1587 V1590Y1526-M1582 HydrophobicContact CD2-CB 4.03Å; Y1526-M1582 HydrophobicContact CE2-CB 4.47Å; Y1526-M1582 HydrophobicContact CG-CB 4.35Å; Y1526-M1582 HydrophobicContact CG-SD 4.45Å; L1577-M1582 HydrophobicContact CD2-CE 3.66Å; S1580-M1582 PolarHBondContact O-N 3.06Å; S1580-M1582 WeakPolarHBondContact OG-CB 3.21Å; S1580-M1582 PolarHBondContact OG-N 2.67Å; M1582-E1586 HydrophobicContact CG-CB 3.69Å; M1582-L1587 HydrophobicContact CE-CB 3.98Å; M1582-L1587 HydrophobicContact CE-CD1 3.6Å; M1582-L1587 HydrophobicContact CE-CG 4.35Å; M1582-L1587 HydrophobicContact CG-CB 4.26Å; M1582-L1587 HydrophobicContact SD-CB 4.08Å; M1582-L1587 HydrophobicContact SD-CD1 4.4Å; M1582-V1590 HydrophobicContact SD-CB 4.38Å; M1582-V1590 HydrophobicContact SD-CG2 4.03Å
1583S85.4Confident89.3Confident16 Ų1619.7 Ų19.711%0.11212%0.119CC..  trans-70.4158.3173.762.80000112.1F1581 S1585 E1586 L1587F1581-S1583 PolarHBondContact O-N 2.86Å; S1583-S1585 PolarHBondContact O-N 3.05Å; S1583-S1585 PolarHBondContact OG-OG 2.91Å; S1583-E1586 WeakPolarHBondContact CB-OE2 3.5Å; S1583-E1586 PolarHBondContact N-OE2 3.3Å; S1583-E1586 PolarHBondContact O-N 3.37Å; S1583-E1586 VanDerWaalsContact O-N 3.1Å; S1583-E1586 WeakPolarHBondContact OG-CB 3.45Å; S1583-E1586 WeakPolarHBondContact OG-CG 3.4Å; S1583-E1586 PolarHBondContact OG-N 3.01Å; S1583-E1586 PolarHBondContact OG-OE2 3.16Å; S1583-L1587 PolarHBondContact O-N 3.42Å
1584P86.6Confident89.1Confident4 Ų419.6 Ų19.63%0.02612%0.119CC..Hα-helixtrans-57.6-31.9177.1-27.335.8000114.4L1373 W1408 T1588 V1621 Y1622 P1625L1373-P1584 HydrophobicContact CD1-CG 4.25Å; W1408-P1584 HydrophobicContact CH2-CG 4.25Å; P1584-T1588 PolarHBondContact O-N 3.47Å; P1584-T1588 VanDerWaalsContact O-N 3.07Å; P1584-T1588 PolarHBondContact O-OG1 3.4Å; P1584-V1621 HydrophobicContact CG-CG1 3.98Å; P1584-Y1622 HydrophobicContact CB-CD1 3.92Å; P1584-Y1622 HydrophobicContact CB-CE1 4.32Å; P1584-Y1622 HydrophobicContact CB-CG 4.49Å; P1584-Y1622 HydrophobicContact CG-CD1 3.9Å; P1584-Y1622 HydrophobicContact CG-CE1 3.88Å; P1584-Y1622 HydrophobicContact CG-CG 4.43Å; P1584-P1625 HydrophobicContact CB-CG 3.98Å
1585S85.6Confident88.8Confident82 Ų8219.6 Ų19.657%0.57312%0.119SC*.Hα-helixtrans-71.7-42.117440.10000112.4S1583 T1588 S1589S1583-S1585 PolarHBondContact O-N 3.05Å; S1583-S1585 PolarHBondContact OG-OG 2.91Å; S1585-T1588 WeakPolarHBondContact O-CB 3.49Å; S1585-T1588 PolarHBondContact O-N 2.88Å; S1585-S1589 PolarHBondContact O-N 2.58Å
1586E87.7Confident88.4Confident69 Ų6921.4 Ų21.432%0.32213%0.13SC..Hα-helixtrans-64-41.9173.5-72.1156168.100110.7K1405 M1582 S1583 T1588 S1589 V1590K1405-E1586 IonicContact NZ-OE1 3.88Å; K1405-E1586 PolarHBondContact NZ-OE1 3.15Å; M1582-E1586 HydrophobicContact CG-CB 3.69Å; S1583-E1586 WeakPolarHBondContact CB-OE2 3.5Å; S1583-E1586 PolarHBondContact N-OE2 3.3Å; S1583-E1586 PolarHBondContact O-N 3.37Å; S1583-E1586 VanDerWaalsContact O-N 3.1Å; S1583-E1586 WeakPolarHBondContact OG-CB 3.45Å; S1583-E1586 WeakPolarHBondContact OG-CG 3.4Å; S1583-E1586 PolarHBondContact OG-N 3.01Å; S1583-E1586 PolarHBondContact OG-OE2 3.16Å; E1586-T1588 VanDerWaalsContact C-N 3.3Å; E1586-T1588 PolarHBondContact O-N 2.93Å; E1586-S1589 WeakPolarHBondContact O-CB 3.29Å; E1586-S1589 PolarHBondContact O-N 2.92Å; E1586-S1589 VanDerWaalsContact O-N 3.17Å; E1586-V1590 WeakPolarHBondContact O-CG2 3.39Å; E1586-V1590 PolarHBondContact O-N 3.45Å
1587L90.1Very high87.9Confident3 Ų324.8 Ų24.82%0.01615%0.148CC..Hα-helixtrans-57.4-43.3172.5174.264.8000111.7L1531 L1577 M1582 S1583 S1589 V1590 V1591 L1618 Y1622L1531-L1587 HydrophobicContact CD2-CD1 4.48Å; L1577-L1587 HydrophobicContact CD1-CD1 4.17Å; L1577-L1587 HydrophobicContact CD1-CD2 4.43Å; L1577-L1587 HydrophobicContact CD2-CD1 4.12Å; M1582-L1587 HydrophobicContact CE-CB 3.98Å; M1582-L1587 HydrophobicContact CE-CD1 3.6Å; M1582-L1587 HydrophobicContact CE-CG 4.35Å; M1582-L1587 HydrophobicContact CG-CB 4.26Å; M1582-L1587 HydrophobicContact SD-CB 4.08Å; M1582-L1587 HydrophobicContact SD-CD1 4.4Å; S1583-L1587 PolarHBondContact O-N 3.42Å; L1587-S1589 VanDerWaalsContact C-N 3.31Å; L1587-S1589 PolarHBondContact O-N 3Å; L1587-V1590 PolarHBondContact O-N 2.95Å; L1587-V1591 HydrophobicContact CD1-CG2 3.92Å; L1587-V1591 HydrophobicContact CG-CG2 4.25Å; L1587-V1591 WeakPolarHBondContact O-CB 3.27Å; L1587-V1591 VanDerWaalsContact O-CG2 3.31Å; L1587-V1591 WeakPolarHBondContact O-CG2 3.48Å; L1587-V1591 PolarHBondContact O-N 3.49Å; L1587-L1618 HydrophobicContact CD2-CD1 4.18Å; L1587-Y1622 HydrophobicContact CD2-CD1 3.67Å; L1587-Y1622 HydrophobicContact CD2-CE1 4.33Å; L1587-Y1622 HydrophobicContact CD2-CG 4.5Å
1588T89.6Confident87.4Confident14 Ų1424.8 Ų24.89%0.08615%0.149CC..Hα-helixtrans-62.8-39.1179.1-59.50000111.3P1584 S1585 E1586 S1592 P1625 L1626 F1629P1584-T1588 PolarHBondContact O-N 3.47Å; P1584-T1588 VanDerWaalsContact O-N 3.07Å; P1584-T1588 PolarHBondContact O-OG1 3.4Å; S1585-T1588 WeakPolarHBondContact O-CB 3.49Å; S1585-T1588 PolarHBondContact O-N 2.88Å; E1586-T1588 VanDerWaalsContact C-N 3.3Å; E1586-T1588 PolarHBondContact O-N 2.93Å; T1588-S1592 WeakPolarHBondContact O-CB 3.35Å; T1588-S1592 PolarHBondContact O-N 3.42Å; T1588-P1625 WeakPolarHBondContact OG1-CB 3.39Å; T1588-L1626 HydrophobicContact CG2-CD2 4.26Å; T1588-F1629 HydrophobicContact CG2-CB 3.43Å; T1588-F1629 VanDerWaalsContact CG2-CB 3.43Å; T1588-F1629 HydrophobicContact CG2-CD1 4.46Å; T1588-F1629 HydrophobicContact CG2-CD2 4.23Å; T1588-F1629 HydrophobicContact CG2-CG 3.8Å
1589S89.5Confident86.5Confident65 Ų6525.3 Ų25.346%0.45515%0.153SC..Hα-helixtrans-63.8-46.6171.9-161.90000111.8S1585 E1586 L1587 V1591 S1592 D1593S1585-S1589 PolarHBondContact O-N 2.58Å; E1586-S1589 WeakPolarHBondContact O-CB 3.29Å; E1586-S1589 PolarHBondContact O-N 2.92Å; E1586-S1589 VanDerWaalsContact O-N 3.17Å; L1587-S1589 VanDerWaalsContact C-N 3.31Å; L1587-S1589 PolarHBondContact O-N 3Å; S1589-V1591 VanDerWaalsContact C-N 3.33Å; S1589-V1591 PolarHBondContact O-N 3.49Å; S1589-S1592 WeakPolarHBondContact O-CB 3.35Å; S1589-S1592 PolarHBondContact O-N 3.29Å; S1589-S1592 VanDerWaalsContact O-N 3.15Å; S1589-D1593 VanDerWaalsContact O-CG 3.3Å; S1589-D1593 PolarHBondContact O-N 2.89Å
1590V90.5Very high85.4Confident12 Ų1233.3 Ų33.37%0.07319%0.187CC..Hα-helixtrans-65.1-35.6180174.20000112.1Y1526 N1527 L1531 M1582 E1586 L1587 L1594Y1526-V1590 WeakPolarHBondContact O-CG2 3.49Å; N1527-V1590 WeakPolarHBondContact O-CG1 3.49Å; L1531-V1590 HydrophobicContact CB-CG1 3.93Å; L1531-V1590 HydrophobicContact CD2-CG1 3.88Å; M1582-V1590 HydrophobicContact SD-CB 4.38Å; M1582-V1590 HydrophobicContact SD-CG2 4.03Å; E1586-V1590 WeakPolarHBondContact O-CG2 3.39Å; E1586-V1590 PolarHBondContact O-N 3.45Å; L1587-V1590 PolarHBondContact O-N 2.95Å; V1590-L1594 WeakPolarHBondContact O-CB 3.36Å; V1590-L1594 PolarHBondContact O-N 3.43Å
1591V90.1Very high84.6Confident9 Ų938.4 Ų38.46%0.05521%0.21CC..Hα-helixtrans-68.4-40172.51700000111.1L1531 L1587 S1589 L1594 L1595 T1611 L1626 L1784L1531-V1591 HydrophobicContact CD2-CG2 3.7Å; L1587-V1591 HydrophobicContact CD1-CG2 3.92Å; L1587-V1591 HydrophobicContact CG-CG2 4.25Å; L1587-V1591 WeakPolarHBondContact O-CB 3.27Å; L1587-V1591 VanDerWaalsContact O-CG2 3.31Å; L1587-V1591 WeakPolarHBondContact O-CG2 3.48Å; L1587-V1591 PolarHBondContact O-N 3.49Å; S1589-V1591 VanDerWaalsContact C-N 3.33Å; S1589-V1591 PolarHBondContact O-N 3.49Å; V1591-L1594 PolarHBondContact O-N 3.19Å; V1591-L1595 HydrophobicContact CG1-CD1 3.82Å; V1591-L1595 HydrophobicContact CG1-CG 4.37Å; V1591-L1595 WeakPolarHBondContact O-CB 3.4Å; V1591-L1595 VanDerWaalsContact O-CG 3.29Å; V1591-L1595 WeakPolarHBondContact O-CG 3.46Å; V1591-L1595 PolarHBondContact O-N 3.49Å; V1591-T1611 HydrophobicContact CG1-CG2 4.04Å; V1591-L1626 HydrophobicContact CB-CD2 4.28Å; V1591-L1626 HydrophobicContact CG1-CD2 4.14Å; V1591-L1626 HydrophobicContact CG2-CD2 4.43Å; V1591-L1784 HydrophobicContact CG1-CD2 4.17Å
1592S88.2Confident83.5Confident24 Ų2445.3 Ų45.317%0.16824%0.244CC..Hα-helixtrans-58.2-56172.8-177.20000110.5T1588 S1589 L1594 L1595 T1596 F1629T1588-S1592 WeakPolarHBondContact O-CB 3.35Å; T1588-S1592 PolarHBondContact O-N 3.42Å; S1589-S1592 WeakPolarHBondContact O-CB 3.35Å; S1589-S1592 PolarHBondContact O-N 3.29Å; S1589-S1592 VanDerWaalsContact O-N 3.15Å; S1592-L1594 VanDerWaalsContact C-N 3.29Å; S1592-L1594 PolarHBondContact O-N 2.95Å; S1592-L1595 PolarHBondContact O-N 3.3Å; S1592-L1595 VanDerWaalsContact O-N 3.16Å; S1592-T1596 WeakPolarHBondContact O-CG2 3.36Å; S1592-T1596 PolarHBondContact O-N 2.88Å; S1592-T1596 PolarHBondContact O-OG1 2.93Å; S1592-T1596 VanDerWaalsContact O-OG1 3.11Å; S1592-F1629 VanDerWaalsContact CB-CZ 3.49Å; S1592-F1629 WeakPolarHBondContact OG-CE2 3.44Å; S1592-F1629 VanDerWaalsContact OG-CZ 3.28Å; S1592-F1629 WeakPolarHBondContact OG-CZ 3.33Å
1593D87.5Confident82.8Confident67 Ų6751.7 Ų51.736%0.35827%0.269SS..Hα-helixtrans-58.5-39.3179.4-65.2-15.7000112.1W1528 S1589 T1596 N1597W1528-D1593 HydrophobicContact CB-CB 4.03Å; W1528-D1593 HydrophobicContact CG-CB 4.42Å; S1589-D1593 VanDerWaalsContact O-CG 3.3Å; S1589-D1593 PolarHBondContact O-N 2.89Å; D1593-T1596 PolarHBondContact O-OG1 3.39Å; D1593-N1597 VanDerWaalsContact O-CB 3.28Å; D1593-N1597 WeakPolarHBondContact O-CB 3.49Å; D1593-N1597 PolarHBondContact O-N 3.48Å; D1593-N1597 VanDerWaalsContact O-N 3.14Å; D1593-N1597 PolarHBondContact O-ND2 3.28Å
1594L87.1Confident82.8Confident0 Ų051.7 Ų51.70%027%0.267CS..Hα-helixtrans-62.4-49.6175.9175.661.6000111.4W1528 L1531 F1532 I1535 V1590 V1591 S1592 C1598 L1607W1528-L1594 HydrophobicContact CB-CB 3.99Å; W1528-L1594 HydrophobicContact CE3-CD1 4.08Å; L1531-L1594 HydrophobicContact CB-CD2 4.23Å; L1531-L1594 HydrophobicContact CD2-CD2 3.58Å; L1531-L1594 HydrophobicContact CG-CD2 3.69Å; F1532-L1594 HydrophobicContact CB-CD1 3.77Å; F1532-L1594 HydrophobicContact CD2-CD1 4.05Å; F1532-L1594 HydrophobicContact CG-CD1 4.38Å; I1535-L1594 HydrophobicContact CD1-CD2 4.09Å; V1590-L1594 WeakPolarHBondContact O-CB 3.36Å; V1590-L1594 PolarHBondContact O-N 3.43Å; V1591-L1594 PolarHBondContact O-N 3.19Å; S1592-L1594 VanDerWaalsContact C-N 3.29Å; S1592-L1594 PolarHBondContact O-N 2.95Å; L1594-C1598 WeakPolarHBondContact O-CB 3.48Å; L1594-C1598 PolarHBondContact O-N 3.02Å; L1594-C1598 PolarHBondContact O-SG 3.4Å; L1594-C1598 VanDerWaalsContact O-SG 3.38Å; L1594-L1607 HydrophobicContact CD1-CD2 4.43Å; L1594-L1607 HydrophobicContact CD2-CD1 4.25Å; L1594-L1607 HydrophobicContact CG-CD2 4.33Å
1595L86.5Confident82.6Confident0 Ų055.3 Ų55.30%029%0.286CS..Hα-helixtrans-75.1-33.9-174.1-65.2173.5000112.6V1591 S1592 A1599 F1604 L1607 L1608 V1780 L1784V1591-L1595 HydrophobicContact CG1-CD1 3.82Å; V1591-L1595 HydrophobicContact CG1-CG 4.37Å; V1591-L1595 WeakPolarHBondContact O-CB 3.4Å; V1591-L1595 VanDerWaalsContact O-CG 3.29Å; V1591-L1595 WeakPolarHBondContact O-CG 3.46Å; V1591-L1595 PolarHBondContact O-N 3.49Å; S1592-L1595 PolarHBondContact O-N 3.3Å; S1592-L1595 VanDerWaalsContact O-N 3.16Å; L1595-A1599 WeakPolarHBondContact O-CB 3.45Å; L1595-A1599 PolarHBondContact O-N 3.3Å; L1595-F1604 HydrophobicContact CB-CE2 4.33Å; L1595-F1604 HydrophobicContact CD2-CE2 3.94Å; L1595-F1604 WeakPolarHBondContact O-CE2 3.08Å; L1595-L1607 HydrophobicContact CD2-CD2 4.15Å; L1595-L1607 HydrophobicContact CD2-CG 4.26Å; L1595-L1608 HydrophobicContact CD1-CD2 4.36Å; L1595-L1608 HydrophobicContact CD2-CD2 3.97Å; L1595-V1780 HydrophobicContact CB-CG1 3.43Å; L1595-V1780 VanDerWaalsContact CB-CG1 3.43Å; L1595-V1780 HydrophobicContact CD1-CG1 4.11Å; L1595-V1780 HydrophobicContact CG-CG1 4.4Å; L1595-L1784 HydrophobicContact CD1-CB 4.25Å; L1595-L1784 HydrophobicContact CD1-CD1 4.04Å; L1595-L1784 HydrophobicContact CD1-CD2 3.96Å; L1595-L1784 HydrophobicContact CD1-CG 4.3Å
1596T83.4Confident82.6Confident38 Ų3854 Ų5423%0.23327%0.271CS..Hα-helixtrans-67.8-44.2174.455.70000111.5S1592 D1593 E1777S1592-T1596 WeakPolarHBondContact O-CG2 3.36Å; S1592-T1596 PolarHBondContact O-N 2.88Å; S1592-T1596 PolarHBondContact O-OG1 2.93Å; S1592-T1596 VanDerWaalsContact O-OG1 3.11Å; D1593-T1596 PolarHBondContact O-OG1 3.39Å; T1596-E1777 HydrophobicContact CG2-CG 4Å
1597N81.1Confident82.6Confident83 Ų8351 Ų5144%0.44426%0.257SS..Hα-helixtrans-66.1-42.5174.9-74.2-56.5000112.1D1593 A1599D1593-N1597 VanDerWaalsContact O-CB 3.28Å; D1593-N1597 WeakPolarHBondContact O-CB 3.49Å; D1593-N1597 PolarHBondContact O-N 3.48Å; D1593-N1597 VanDerWaalsContact O-N 3.14Å; D1593-N1597 PolarHBondContact O-ND2 3.28Å; N1597-A1599 PolarHBondContact O-N 3.27Å
1598C80.6Confident82.6Confident6 Ų650.9 Ų50.94%0.04126%0.256CS..Hα-helixtrans-82.3-6.4-177.5-68.60000115.3L1594 K1600 H1601 F1604 L1607L1594-C1598 WeakPolarHBondContact O-CB 3.48Å; L1594-C1598 PolarHBondContact O-N 3.02Å; L1594-C1598 PolarHBondContact O-SG 3.4Å; L1594-C1598 VanDerWaalsContact O-SG 3.38Å; C1598-K1600 PolarHBondContact O-N 2.79Å; C1598-H1601 PolarHBondContact O-N 2.99Å; C1598-F1604 HydrophobicContact CB-CD2 4.43Å; C1598-F1604 WeakPolarHBondContact O-CD2 3.25Å; C1598-L1607 HydrophobicContact CB-CD2 3.33Å
1599A73.1Confident82.6Confident11 Ų1150.4 Ų50.49%0.09125%0.253CS..THydrogen-bonded Turntrans-54.6-21.2-178.900000114.6L1595 N1597 F1604 M1776 V1780L1595-A1599 WeakPolarHBondContact O-CB 3.45Å; L1595-A1599 PolarHBondContact O-N 3.3Å; N1597-A1599 PolarHBondContact O-N 3.27Å; A1599-F1604 HydrophobicContact CB-CE2 4.29Å; A1599-F1604 HydrophobicContact CB-CZ 4.36Å; A1599-M1776 WeakPolarHBondContact O-CE 3.39Å; A1599-V1780 HydrophobicContact CB-CG2 4.23Å
1600K67.6Low82.7Confident172 Ų17247.3 Ų47.375%0.74823%0.232SC*.THydrogen-bonded Turntrans-91.8-5.5-178.8-62.9174.9-178172.80114.2C1598C1598-K1600 PolarHBondContact O-N 2.79Å
1601H70.2Confident82.8Confident115 Ų11547.1 Ų47.153%0.53223%0.23SC..SBendtrans-90.6143.2-175.8-76.3-98000113.4C1598 Y1603 F1604C1598-H1601 PolarHBondContact O-N 2.99Å; H1601-Y1603 PolarHBondContact O-N 3.11Å; H1601-Y1603 VanDerWaalsContact O-N 3.07Å; H1601-F1604 VanDerWaalsContact O-CB 3.23Å; H1601-F1604 WeakPolarHBondContact O-CB 3.3Å; H1601-F1604 PolarHBondContact O-N 2.66Å
1602M65.2Low82.8Confident152 Ų15246.7 Ų46.775%0.74923%0.228SC*.THydrogen-bonded Turntrans-56.1-27.5176.5-67.3178.872.700113.9F1604 L1741M1602-F1604 VanDerWaalsContact C-N 3.34Å; M1602-L1741 HydrophobicContact CE-CB 4.22Å; M1602-L1741 HydrophobicContact CE-CD1 3.97Å
1603Y74.3Confident83Confident144 Ų14445.6 Ų45.657%0.56522%0.22SC*.THydrogen-bonded Turntrans-86.24.1-179.9-57.6-72.9000114.3Q1543 H1601 N1605 Q1606 L1607Q1543-Y1603 VanDerWaalsContact NE2-CE1 3.34Å; H1601-Y1603 PolarHBondContact O-N 3.11Å; H1601-Y1603 VanDerWaalsContact O-N 3.07Å; Y1603-N1605 VanDerWaalsContact C-N 3.27Å; Y1603-N1605 PolarHBondContact O-N 3.2Å; Y1603-N1605 VanDerWaalsContact O-N 3.16Å; Y1603-Q1606 PolarHBondContact O-N 3.1Å; Y1603-L1607 PolarHBondContact O-N 3.49Å
1604F83.6Confident83.2Confident15 Ų1542.8 Ų42.87%0.06621%0.205CC..Hα-helixtrans-55-36.3-174-176.9-114.9000114L1595 C1598 A1599 H1601 M1602 Q1606 L1607 L1608 V1780L1595-F1604 HydrophobicContact CB-CE2 4.33Å; L1595-F1604 HydrophobicContact CD2-CE2 3.94Å; L1595-F1604 WeakPolarHBondContact O-CE2 3.08Å; C1598-F1604 HydrophobicContact CB-CD2 4.43Å; C1598-F1604 WeakPolarHBondContact O-CD2 3.25Å; A1599-F1604 HydrophobicContact CB-CE2 4.29Å; A1599-F1604 HydrophobicContact CB-CZ 4.36Å; H1601-F1604 VanDerWaalsContact O-CB 3.23Å; H1601-F1604 WeakPolarHBondContact O-CB 3.3Å; H1601-F1604 PolarHBondContact O-N 2.66Å; M1602-F1604 VanDerWaalsContact C-N 3.34Å; F1604-Q1606 VanDerWaalsContact C-N 3.35Å; F1604-Q1606 PolarHBondContact O-N 3.37Å; F1604-L1607 HydrophobicContact CD2-CD2 4.39Å; F1604-L1607 WeakPolarHBondContact O-CB 3.27Å; F1604-L1607 PolarHBondContact O-N 3.42Å; F1604-L1608 HydrophobicContact CD1-CD1 3.84Å; F1604-L1608 HydrophobicContact CD1-CG 4.39Å; F1604-L1608 HydrophobicContact CE1-CD1 3.45Å; F1604-L1608 VanDerWaalsContact CE1-CD1 3.45Å; F1604-L1608 HydrophobicContact CE1-CG 4.04Å; F1604-L1608 HydrophobicContact CE2-CG 4.3Å; F1604-L1608 HydrophobicContact CZ-CD1 3.87Å; F1604-L1608 HydrophobicContact CZ-CD2 4.2Å; F1604-L1608 HydrophobicContact CZ-CG 3.99Å; F1604-L1608 WeakPolarHBondContact O-CB 3.39Å; F1604-L1608 WeakPolarHBondContact O-CG 3.49Å; F1604-L1608 PolarHBondContact O-N 3.39Å; F1604-V1780 HydrophobicContact CZ-CG2 4.26Å
1605N84.2Confident83.4Confident80 Ų8042.9 Ų42.943%0.42821%0.206SC..Hα-helixtrans-66-33.2175.7-71.7-24.7000113.3Y1603 N1609Y1603-N1605 VanDerWaalsContact C-N 3.27Å; Y1603-N1605 PolarHBondContact O-N 3.2Å; Y1603-N1605 VanDerWaalsContact O-N 3.16Å; N1605-N1609 WeakPolarHBondContact O-CB 3.33Å; N1605-N1609 PolarHBondContact O-N 3.39Å
1606Q85.3Confident83.5Confident56 Ų5643.4 Ų43.426%0.26221%0.209SC..Hα-helixtrans-75.1-38.3175.3-66.6-179.2-1.300111.2Y1603 F1604 N1609 I1610Y1603-Q1606 PolarHBondContact O-N 3.1Å; F1604-Q1606 VanDerWaalsContact C-N 3.35Å; F1604-Q1606 PolarHBondContact O-N 3.37Å; Q1606-N1609 PolarHBondContact O-N 2.9Å; Q1606-I1610 PolarHBondContact O-N 3.16Å
1607L87.5Confident83.8Confident6 Ų642 Ų423%0.03120%0.2CC..Hα-helixtrans-59.6-48172.6-176.966.7000111.2I1535 L1594 L1595 C1598 Y1603 F1604 I1610 T1611I1535-L1607 HydrophobicContact CB-CD1 4.3Å; I1535-L1607 HydrophobicContact CD1-CD1 4.46Å; I1535-L1607 HydrophobicContact CG2-CD1 3.63Å; L1594-L1607 HydrophobicContact CD1-CD2 4.43Å; L1594-L1607 HydrophobicContact CD2-CD1 4.25Å; L1594-L1607 HydrophobicContact CG-CD2 4.33Å; L1595-L1607 HydrophobicContact CD2-CD2 4.15Å; L1595-L1607 HydrophobicContact CD2-CG 4.26Å; C1598-L1607 HydrophobicContact CB-CD2 3.33Å; Y1603-L1607 PolarHBondContact O-N 3.49Å; F1604-L1607 HydrophobicContact CD2-CD2 4.39Å; F1604-L1607 WeakPolarHBondContact O-CB 3.27Å; F1604-L1607 PolarHBondContact O-N 3.42Å; L1607-I1610 PolarHBondContact O-N 3.42Å; L1607-T1611 WeakPolarHBondContact O-CB 3.27Å; L1607-T1611 PolarHBondContact O-N 3.29Å; L1607-T1611 PolarHBondContact O-OG1 2.98Å
1608L89.3Confident84.3Confident0 Ų038.2 Ų38.20%018%0.18CC..Hα-helixtrans-56.4-52.5171.3-79.6173.5000110.7V228 L1595 F1604 I1610 T1611 G1612 N1783 S1787V228-L1608 HydrophobicContact CG1-CD1 4.09Å; V228-L1608 HydrophobicContact CG2-CD1 4.26Å; L1595-L1608 HydrophobicContact CD1-CD2 4.36Å; L1595-L1608 HydrophobicContact CD2-CD2 3.97Å; F1604-L1608 HydrophobicContact CD1-CD1 3.84Å; F1604-L1608 HydrophobicContact CD1-CG 4.39Å; F1604-L1608 HydrophobicContact CE1-CD1 3.45Å; F1604-L1608 VanDerWaalsContact CE1-CD1 3.45Å; F1604-L1608 HydrophobicContact CE1-CG 4.04Å; F1604-L1608 HydrophobicContact CE2-CG 4.3Å; F1604-L1608 HydrophobicContact CZ-CD1 3.87Å; F1604-L1608 HydrophobicContact CZ-CD2 4.2Å; F1604-L1608 HydrophobicContact CZ-CG 3.99Å; F1604-L1608 WeakPolarHBondContact O-CB 3.39Å; F1604-L1608 WeakPolarHBondContact O-CG 3.49Å; F1604-L1608 PolarHBondContact O-N 3.39Å; L1608-I1610 VanDerWaalsContact C-N 3.29Å; L1608-I1610 PolarHBondContact O-N 3.05Å; L1608-T1611 CarbonylContact O-C 3.51Å; L1608-T1611 PolarHBondContact O-N 2.88Å; L1608-G1612 PolarHBondContact O-N 2.85Å; L1608-N1783 HydrophobicContact CD1-CB 3.97Å; L1608-N1783 HydrophobicContact CD2-CB 4.46Å; L1608-S1787 VanDerWaalsContact C-OG 3.27Å; L1608-S1787 PolarHBondContact O-OG 3.05Å
1609N90.8Very high84.6Confident4 Ų437.9 Ų37.92%0.02118%0.178CC..Hα-helixtrans-53.5-43.2-177.9-169.644.4000113.7M232 T233 F235 N1605 Q1606 A1613 H1791M232-N1609 WeakPolarHBondContact CA-OD1 3.42Å; M232-N1609 VanDerWaalsContact CB-OD1 3.28Å; M232-N1609 WeakPolarHBondContact CB-OD1 3.47Å; M232-N1609 HydrophobicContact CE-CB 4.21Å; M232-N1609 WeakPolarHBondContact SD-CA 3.24Å; M232-N1609 HydrophobicContact SD-CB 3.68Å; T233-N1609 PolarHBondContact N-ND2 3.03Å; T233-N1609 PolarHBondContact N-OD1 2.94Å; T233-N1609 PolarHBondContact O-ND2 3.33Å; T233-N1609 VanDerWaalsContact O-ND2 3.13Å; T233-N1609 PolarHBondContact O-OD1 2.84Å; T233-N1609 PolarHBondContact OG1-ND2 2.93Å; F235-N1609 WeakPolarHBondContact CZ-ND2 3.25Å; N1605-N1609 WeakPolarHBondContact O-CB 3.33Å; N1605-N1609 PolarHBondContact O-N 3.39Å; Q1606-N1609 PolarHBondContact O-N 2.9Å; N1609-A1613 WeakPolarHBondContact O-CB 3.34Å; N1609-A1613 PolarHBondContact O-N 2.8Å; N1609-A1613 VanDerWaalsContact O-N 3.1Å; N1609-H1791 PolarHBondContact O-NE2 3.17Å; N1609-H1791 PolarHBondContact OD1-CE1 3.47Å; N1609-H1791 PolarHBondContact OD1-NE2 3.25Å
1610I91.5Very high85.2Confident0 Ų039.2 Ų39.20%019%0.186CC..Hα-helixtrans-75.1-37.1177.6-72.2154000111.5F235 I1535 I1538 C1539 L1570 Q1606 L1607 L1608 A1613 L1614F235-I1610 HydrophobicContact CZ-CG1 3.96Å; I1535-I1610 HydrophobicContact CB-CG2 4.38Å; I1535-I1610 HydrophobicContact CG1-CG2 4.26Å; I1535-I1610 HydrophobicContact CG2-CB 3.98Å; I1535-I1610 HydrophobicContact CG2-CD1 4.42Å; I1535-I1610 HydrophobicContact CG2-CG2 3.53Å; I1538-I1610 HydrophobicContact CB-CD1 3.9Å; I1538-I1610 HydrophobicContact CB-CG1 4.46Å; I1538-I1610 HydrophobicContact CB-CG2 4.35Å; I1538-I1610 HydrophobicContact CD1-CG2 4.27Å; I1538-I1610 HydrophobicContact CG2-CD1 3.7Å; I1538-I1610 HydrophobicContact CG2-CG1 3.87Å; I1538-I1610 HydrophobicContact CG2-CG2 4.21Å; C1539-I1610 VanDerWaalsContact CA-CD1 3.49Å; C1539-I1610 HydrophobicContact CB-CD1 4.08Å; C1539-I1610 VanDerWaalsContact N-CD1 3.27Å; C1539-I1610 WeakPolarHBondContact SG-CD1 3.43Å; L1570-I1610 HydrophobicContact CD2-CG2 3.87Å; Q1606-I1610 PolarHBondContact O-N 3.16Å; L1607-I1610 PolarHBondContact O-N 3.42Å; L1608-I1610 VanDerWaalsContact C-N 3.29Å; L1608-I1610 PolarHBondContact O-N 3.05Å; I1610-A1613 PolarHBondContact O-N 3.33Å; I1610-L1614 WeakPolarHBondContact O-CB 3.45Å; I1610-L1614 PolarHBondContact O-N 2.95Å
1611T91.6Very high86Confident8 Ų831.7 Ų31.75%0.04916%0.155CC..Hα-helixtrans-63.8-41.8175.4-54.40000111.5V1591 L1607 L1608 L1614 A1615 L1784V1591-T1611 HydrophobicContact CG1-CG2 4.04Å; L1607-T1611 WeakPolarHBondContact O-CB 3.27Å; L1607-T1611 PolarHBondContact O-N 3.29Å; L1607-T1611 PolarHBondContact O-OG1 2.98Å; L1608-T1611 CarbonylContact O-C 3.51Å; L1608-T1611 PolarHBondContact O-N 2.88Å; T1611-L1614 PolarHBondContact O-N 3.05Å; T1611-A1615 WeakPolarHBondContact O-CB 3.37Å; T1611-A1615 PolarHBondContact O-N 3.3Å; T1611-L1784 HydrophobicContact CG2-CD1 3.88Å
1612G91.1Very high86.9Confident0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-64.3-47.417500000112.4L1608 L1614 A1615 V1616L1608-G1612 PolarHBondContact O-N 2.85Å; G1612-L1614 PolarHBondContact O-N 3.35Å; G1612-A1615 PolarHBondContact O-N 2.95Å; G1612-V1616 WeakPolarHBondContact O-CG2 3.33Å; G1612-V1616 PolarHBondContact O-N 3.17Å; G1612-V1616 VanDerWaalsContact O-N 3.17Å
1613A91.3Very high88.1Confident0 Ų019.8 Ų19.80%010%0.097CC..Hα-helixtrans-60.3-43.8174.400000112F235 L1570 N1609 I1610 V1616 I1617 H1791F235-A1613 HydrophobicContact CD2-CB 4Å; F235-A1613 HydrophobicContact CE2-CB 3.82Å; L1570-A1613 HydrophobicContact CD1-CB 4.35Å; L1570-A1613 HydrophobicContact CD2-CB 4.3Å; N1609-A1613 WeakPolarHBondContact O-CB 3.34Å; N1609-A1613 PolarHBondContact O-N 2.8Å; N1609-A1613 VanDerWaalsContact O-N 3.1Å; I1610-A1613 PolarHBondContact O-N 3.33Å; A1613-V1616 PolarHBondContact O-N 3.08Å; A1613-I1617 VanDerWaalsContact O-CD1 3.3Å; A1613-I1617 WeakPolarHBondContact O-CD1 3.37Å; A1613-I1617 WeakPolarHBondContact O-CG1 3.26Å; A1613-I1617 PolarHBondContact O-N 2.91Å; A1613-H1791 PolarHBondContact N-CD2 3.47Å
1614L92.1Very high88.7Confident8 Ų818.1 Ų18.14%0.0429%0.092CC..Hα-helixtrans-64-40.5178.8-17460.1000112.2A1573 L1577 I1610 T1611 G1612 V1616 I1617 L1618A1573-L1614 HydrophobicContact CB-CD1 4.27Å; L1577-L1614 HydrophobicContact CD1-CD1 4.46Å; L1577-L1614 HydrophobicContact CD1-CD2 3.72Å; L1577-L1614 HydrophobicContact CD1-CG 4.21Å; I1610-L1614 WeakPolarHBondContact O-CB 3.45Å; I1610-L1614 PolarHBondContact O-N 2.95Å; T1611-L1614 PolarHBondContact O-N 3.05Å; G1612-L1614 PolarHBondContact O-N 3.35Å; L1614-V1616 VanDerWaalsContact C-N 3.31Å; L1614-V1616 PolarHBondContact O-N 3.16Å; L1614-I1617 PolarHBondContact O-N 2.68Å; L1614-L1618 HydrophobicContact CG-CD1 4.22Å; L1614-L1618 WeakPolarHBondContact O-CB 3.43Å; L1614-L1618 VanDerWaalsContact O-CG 3.26Å; L1614-L1618 WeakPolarHBondContact O-CG 3.35Å; L1614-L1618 PolarHBondContact O-N 2.95Å
1615A91.5Very high88.9Confident2 Ų219.1 Ų19.12%0.01710%0.1CC..Hα-helixtrans-65.9-29.9175.900000113.6T1611 G1612 R1623 L1626 I1788T1611-A1615 WeakPolarHBondContact O-CB 3.37Å; T1611-A1615 PolarHBondContact O-N 3.3Å; G1612-A1615 PolarHBondContact O-N 2.95Å; A1615-R1623 WeakPolarHBondContact O-CG 3.38Å; A1615-R1623 PolarHBondContact O-NE 2.87Å; A1615-L1626 HydrophobicContact CB-CD1 3.73Å; A1615-I1788 HydrophobicContact CB-CD1 4.15Å; A1615-I1788 HydrophobicContact CB-CG1 3.85Å; A1615-I1788 HydrophobicContact CB-CG2 4.42Å
1616V88.8Confident89.2Confident12 Ų1215.5 Ų15.57%0.0738%0.081CC..Hα-helixtrans-73.6-41.9172.9170.20000111.4G1612 A1613 L1614 L1618 R1623 I1788 H1791 H1796G1612-V1616 WeakPolarHBondContact O-CG2 3.33Å; G1612-V1616 PolarHBondContact O-N 3.17Å; G1612-V1616 VanDerWaalsContact O-N 3.17Å; A1613-V1616 PolarHBondContact O-N 3.08Å; L1614-V1616 VanDerWaalsContact C-N 3.31Å; L1614-V1616 PolarHBondContact O-N 3.16Å; V1616-L1618 VanDerWaalsContact C-N 3.33Å; V1616-R1623 PolarHBondContact O-NH2 3.07Å; V1616-I1788 HydrophobicContact CG2-CG2 3.97Å; V1616-I1788 VanDerWaalsContact CG2-O 3.31Å; V1616-I1788 WeakPolarHBondContact CG2-O 3.29Å; V1616-H1791 HydrophobicContact CB-CB 4.28Å; V1616-H1791 HydrophobicContact CG2-CB 3.86Å; V1616-H1796 WeakPolarHBondContact CG1-CE1 3.46Å; V1616-H1796 PolarHBondContact O-CE1 2.6Å
1617I89.1Confident89.4Confident8 Ų813.5 Ų13.54%0.0417%0.072CC..Hα-helixtrans-69.9-27.4179-66.4161.8000112.4I238 Y1358 H1362 L1570 Y1571 A1613 L1614I238-I1617 HydrophobicContact CD1-CD1 3.57Å; I238-I1617 HydrophobicContact CG1-CD1 4.03Å; I238-I1617 HydrophobicContact CG2-CD1 4.1Å; I238-I1617 HydrophobicContact CG2-CG1 4.09Å; Y1358-I1617 HydrophobicContact CD2-CG2 4.39Å; Y1358-I1617 HydrophobicContact CE2-CG2 3.46Å; Y1358-I1617 VanDerWaalsContact CE2-CG2 3.46Å; Y1358-I1617 PolarHBondContact OH-O 2.94Å; H1362-I1617 PolarHBondContact CD2-O 3.25Å; L1570-I1617 HydrophobicContact CB-CD1 3.95Å; L1570-I1617 HydrophobicContact CD1-CD1 4.45Å; L1570-I1617 HydrophobicContact CD2-CD1 4.44Å; Y1571-I1617 HydrophobicContact CD1-CG2 4.29Å; Y1571-I1617 HydrophobicContact CE1-CG2 4.17Å; A1613-I1617 VanDerWaalsContact O-CD1 3.3Å; A1613-I1617 WeakPolarHBondContact O-CD1 3.37Å; A1613-I1617 WeakPolarHBondContact O-CG1 3.26Å; A1613-I1617 PolarHBondContact O-N 2.91Å; L1614-I1617 PolarHBondContact O-N 2.68Å
1618L91Very high89.5Confident3 Ų318.2 Ų18.22%0.0169%0.092CC..SBendtrans-75.2148.8176.3-75.1168.8000111.8L1577 M1578 L1587 L1614 V1616 R1623L1577-L1618 HydrophobicContact CB-CD2 4.37Å; L1577-L1618 HydrophobicContact CD1-CD1 4.02Å; M1578-L1618 HydrophobicContact CG-CD2 3.81Å; M1578-L1618 HydrophobicContact SD-CD2 4.47Å; L1587-L1618 HydrophobicContact CD2-CD1 4.18Å; L1614-L1618 HydrophobicContact CG-CD1 4.22Å; L1614-L1618 WeakPolarHBondContact O-CB 3.43Å; L1614-L1618 VanDerWaalsContact O-CG 3.26Å; L1614-L1618 WeakPolarHBondContact O-CG 3.35Å; L1614-L1618 PolarHBondContact O-N 2.95Å; V1616-L1618 VanDerWaalsContact C-N 3.33Å; L1618-R1623 PolarHBondContact O-NE 3.16Å; L1618-R1623 PolarHBondContact O-NH2 3.35Å
1619P88.4Confident89.6Confident0 Ų019.8 Ų19.80%010%0.099CC..  trans-53.8154.8175.7-24.730.2000113.6H1362 A1365 M1578 V1621 Y1622 R1623H1362-P1619 HydrophobicContact CB-CG 4.33Å; H1362-P1619 WeakPolarHBondContact NE2-CA 3.47Å; A1365-P1619 HydrophobicContact CB-CB 3.96Å; A1365-P1619 HydrophobicContact CB-CG 3.57Å; M1578-P1619 HydrophobicContact SD-CG 3.79Å; P1619-V1621 PolarHBondContact O-N 2.57Å; P1619-Y1622 HydrophobicContact CB-CD2 4.4Å; P1619-Y1622 HydrophobicContact CG-CD2 4.32Å; P1619-Y1622 PolarHBondContact O-N 3.01Å; P1619-R1623 PolarHBondContact O-N 3Å; P1619-R1623 VanDerWaalsContact O-N 3.13Å
1620S84.2Confident89.6Confident38 Ų3819.7 Ų19.727%0.26610%0.098SC..Hα-helixtrans-52.2-28.6177.752.90000114.3Y1622 R1623 F1624S1620-Y1622 VanDerWaalsContact C-N 3.3Å; S1620-Y1622 PolarHBondContact O-N 2.95Å; S1620-R1623 PolarHBondContact O-N 3.38Å; S1620-F1624 WeakPolarHBondContact O-CB 3.15Å; S1620-F1624 PolarHBondContact O-N 2.97Å
1621V85.9Confident89.5Confident15 Ų1520.2 Ų20.29%0.09110%0.102CC..Hα-helixtrans-59.3-33.8173.9-179.60000113.4M1369 K1370 L1373 P1584 P1619 P1625M1369-V1621 HydrophobicContact CB-CG1 4.12Å; M1369-V1621 HydrophobicContact CB-CG2 4.46Å; M1369-V1621 HydrophobicContact SD-CG1 4.4Å; K1370-V1621 HydrophobicContact CG-CG2 3.65Å; L1373-V1621 HydrophobicContact CD1-CG1 3.43Å; L1373-V1621 VanDerWaalsContact CD1-CG1 3.43Å; P1584-V1621 HydrophobicContact CG-CG1 3.98Å; P1619-V1621 PolarHBondContact O-N 2.57Å; V1621-P1625 WeakPolarHBondContact O-CD 3.45Å; V1621-P1625 WeakPolarHBondContact O-CG 3.1Å
1622Y89Confident89.4Confident2 Ų222.4 Ų22.41%0.00812%0.115CC..Hα-helixtrans-91.2-32.7174.5-67.4-87.6000112M1369 M1578 P1584 L1587 P1619 S1620 P1625M1369-Y1622 HydrophobicContact CE-CE2 4.16Å; M1369-Y1622 WeakPolarHBondContact CE-OH 3.44Å; M1369-Y1622 HydrophobicContact SD-CE2 3.84Å; M1578-Y1622 HydrophobicContact CG-CE2 4.19Å; P1584-Y1622 HydrophobicContact CB-CD1 3.92Å; P1584-Y1622 HydrophobicContact CB-CE1 4.32Å; P1584-Y1622 HydrophobicContact CB-CG 4.49Å; P1584-Y1622 HydrophobicContact CG-CD1 3.9Å; P1584-Y1622 HydrophobicContact CG-CE1 3.88Å; P1584-Y1622 HydrophobicContact CG-CG 4.43Å; L1587-Y1622 HydrophobicContact CD2-CD1 3.67Å; L1587-Y1622 HydrophobicContact CD2-CE1 4.33Å; L1587-Y1622 HydrophobicContact CD2-CG 4.5Å; P1619-Y1622 HydrophobicContact CB-CD2 4.4Å; P1619-Y1622 HydrophobicContact CG-CD2 4.32Å; P1619-Y1622 PolarHBondContact O-N 3.01Å; S1620-Y1622 VanDerWaalsContact C-N 3.3Å; S1620-Y1622 PolarHBondContact O-N 2.95Å; Y1622-P1625 WeakPolarHBondContact O-CD 3.23Å
1623R88.7Confident89.3Confident14 Ų1422.4 Ų22.45%0.05312%0.115CC..Hα-helixtrans-69.4-41.3-178.1-158.6-175.6-54.7141.1-2.4113.2D999 A1615 V1616 L1618 P1619 S1620 L1626 F1627 H1796D999-R1623 IonicContact OD2-CZ 3.59Å; D999-R1623 VanDerWaalsContact OD2-CZ 3.3Å; D999-R1623 IonicContact OD2-NH1 3.84Å; D999-R1623 PolarHBondContact OD2-NH1 3.48Å; D999-R1623 IonicContact OD2-NH2 3.33Å; D999-R1623 PolarHBondContact OD2-NH2 3.1Å; A1615-R1623 WeakPolarHBondContact O-CG 3.38Å; A1615-R1623 PolarHBondContact O-NE 2.87Å; V1616-R1623 PolarHBondContact O-NH2 3.07Å; L1618-R1623 PolarHBondContact O-NE 3.16Å; L1618-R1623 PolarHBondContact O-NH2 3.35Å; P1619-R1623 PolarHBondContact O-N 3Å; P1619-R1623 VanDerWaalsContact O-N 3.13Å; S1620-R1623 PolarHBondContact O-N 3.38Å; R1623-L1626 WeakPolarHBondContact O-CB 3.16Å; R1623-L1626 PolarHBondContact O-N 2.99Å; R1623-F1627 HydrophobicContact CG-CD2 4.44Å; R1623-F1627 HydrophobicContact CG-CE2 3.81Å; R1623-F1627 HydrophobicContact CG-CZ 3.9Å; R1623-F1627 PolarHBondContact O-N 3.08Å; R1623-H1796 PolarHBondContact NH1-NE2 2.81Å; R1623-H1796 PolarHBondContact NH2-NE2 2.83Å; R1623-H1796 VanDerWaalsContact NH2-NE2 3.16Å
1624F87Confident89.2Confident109 Ų10922.4 Ų22.448%0.47812%0.115SC..Hα-helixtrans-67.7-41.4-177-174.5-95.7000113.9S1620 L1626 F1627 K1628 L1807S1620-F1624 WeakPolarHBondContact O-CB 3.15Å; S1620-F1624 PolarHBondContact O-N 2.97Å; F1624-L1626 VanDerWaalsContact C-N 3.31Å; F1624-L1626 PolarHBondContact O-N 3.2Å; F1624-F1627 PolarHBondContact O-N 3.14Å; F1624-K1628 PolarHBondContact O-N 3.04Å; F1624-L1807 HydrophobicContact CE2-CD1 4.26Å; F1624-L1807 HydrophobicContact CE2-CD2 4.48Å; F1624-L1807 HydrophobicContact CZ-CD2 4.19Å
1625P88.7Confident89Confident36 Ų3626.4 Ų26.423%0.23414%0.136CC..Hα-helixtrans-55.7-40.7168-29.537.4000113.9P1584 T1588 V1621 Y1622 K1628 F1629P1584-P1625 HydrophobicContact CB-CG 3.98Å; T1588-P1625 WeakPolarHBondContact OG1-CB 3.39Å; V1621-P1625 WeakPolarHBondContact O-CD 3.45Å; V1621-P1625 WeakPolarHBondContact O-CG 3.1Å; Y1622-P1625 WeakPolarHBondContact O-CD 3.23Å; P1625-K1628 PolarHBondContact O-N 3.41Å; P1625-F1629 WeakPolarHBondContact O-CB 3.3Å; P1625-F1629 PolarHBondContact O-N 3.31Å
1626L90.7Very high88.7Confident5 Ų527.8 Ų27.83%0.02614%0.143CC..Hα-helixtrans-64.5-39.7175.2-67.2169.6000111.9T1588 V1591 A1615 R1623 F1624 F1629 C1630 I1788T1588-L1626 HydrophobicContact CG2-CD2 4.26Å; V1591-L1626 HydrophobicContact CB-CD2 4.28Å; V1591-L1626 HydrophobicContact CG1-CD2 4.14Å; V1591-L1626 HydrophobicContact CG2-CD2 4.43Å; A1615-L1626 HydrophobicContact CB-CD1 3.73Å; R1623-L1626 WeakPolarHBondContact O-CB 3.16Å; R1623-L1626 PolarHBondContact O-N 2.99Å; F1624-L1626 VanDerWaalsContact C-N 3.31Å; F1624-L1626 PolarHBondContact O-N 3.2Å; L1626-F1629 PolarHBondContact O-N 2.91Å; L1626-C1630 PolarHBondContact O-N 3.27Å; L1626-C1630 PolarHBondContact O-SG 3.48Å; L1626-I1788 HydrophobicContact CB-CD1 4.4Å
1627F89.6Confident88.4Confident14 Ų1432 Ų326%0.06117%0.171CC..Hα-helixtrans-63.4-45.5172-67.3-37.7000112.2R1623 F1624 F1629 C1630 V1631 W1785 I1788 W1789 I1803 L1807R1623-F1627 HydrophobicContact CG-CD2 4.44Å; R1623-F1627 HydrophobicContact CG-CE2 3.81Å; R1623-F1627 HydrophobicContact CG-CZ 3.9Å; R1623-F1627 PolarHBondContact O-N 3.08Å; F1624-F1627 PolarHBondContact O-N 3.14Å; F1627-F1629 VanDerWaalsContact C-N 3.29Å; F1627-F1629 PolarHBondContact O-N 2.99Å; F1627-C1630 WeakPolarHBondContact O-CB 3.48Å; F1627-C1630 PolarHBondContact O-N 3.41Å; F1627-C1630 VanDerWaalsContact O-N 3.16Å; F1627-V1631 WeakPolarHBondContact O-CG2 3.48Å; F1627-V1631 PolarHBondContact O-N 3.11Å; F1627-W1785 HydrophobicContact CB-CZ3 4.47Å; F1627-W1785 HydrophobicContact CD1-CE3 4.12Å; F1627-W1785 AromaticContact CD1-CZ3 3.94Å; F1627-W1785 HydrophobicContact CD1-CZ3 3.94Å; F1627-W1785 HydrophobicContact CG-CZ3 4.44Å; F1627-I1788 HydrophobicContact CE1-CB 4.45Å; F1627-I1788 HydrophobicContact CE1-CD1 4.4Å; F1627-I1788 HydrophobicContact CE1-CG2 3.72Å; F1627-I1788 HydrophobicContact CZ-CG2 4.12Å; F1627-W1789 HydrophobicContact CE1-CZ2 4.19Å; F1627-W1789 AromaticContact CE1-NE1 3.96Å; F1627-W1789 HydrophobicContact CZ-CZ2 4.03Å; F1627-I1803 HydrophobicContact CD2-CD1 4.36Å; F1627-I1803 HydrophobicContact CE2-CD1 4.13Å; F1627-L1807 HydrophobicContact CB-CD1 4.43Å
1628K89.2Confident88Confident105 Ų10533.8 Ų33.846%0.45718%0.18SC..Hα-helixtrans-59.4-41.1176-171.6174.5-178.8177.50111.3F1624 P1625 V1631 T1632F1624-K1628 PolarHBondContact O-N 3.04Å; P1625-K1628 PolarHBondContact O-N 3.41Å; K1628-V1631 PolarHBondContact O-N 3.31Å; K1628-T1632 WeakPolarHBondContact O-CG2 2.94Å; K1628-T1632 PolarHBondContact O-N 3.45Å; K1628-T1632 VanDerWaalsContact O-N 3.1Å
1629F90.5Very high87.6Confident33 Ų3333.7 Ų33.715%0.14518%0.18CC..Hα-helixtrans-60.9-47.1172.9169.8-103.2000112.5T1588 S1592 P1625 L1626 F1627 V1631 T1632 K1781 L1784T1588-F1629 HydrophobicContact CG2-CB 3.43Å; T1588-F1629 VanDerWaalsContact CG2-CB 3.43Å; T1588-F1629 HydrophobicContact CG2-CD1 4.46Å; T1588-F1629 HydrophobicContact CG2-CD2 4.23Å; T1588-F1629 HydrophobicContact CG2-CG 3.8Å; S1592-F1629 VanDerWaalsContact CB-CZ 3.49Å; S1592-F1629 WeakPolarHBondContact OG-CE2 3.44Å; S1592-F1629 VanDerWaalsContact OG-CZ 3.28Å; S1592-F1629 WeakPolarHBondContact OG-CZ 3.33Å; P1625-F1629 WeakPolarHBondContact O-CB 3.3Å; P1625-F1629 PolarHBondContact O-N 3.31Å; L1626-F1629 PolarHBondContact O-N 2.91Å; F1627-F1629 VanDerWaalsContact C-N 3.29Å; F1627-F1629 PolarHBondContact O-N 2.99Å; F1629-V1631 VanDerWaalsContact C-N 3.25Å; F1629-V1631 PolarHBondContact O-N 3.03Å; F1629-T1632 WeakPolarHBondContact O-CB 3.38Å; F1629-T1632 PolarHBondContact O-N 3.38Å; F1629-T1632 VanDerWaalsContact O-N 3.09Å; F1629-T1632 PolarHBondContact O-OG1 2.62Å; F1629-K1781 HydrophobicContact CE1-CG 4.24Å; F1629-K1781 HydrophobicContact CZ-CG 4.16Å; F1629-L1784 HydrophobicContact CD1-CD2 4.11Å; F1629-L1784 HydrophobicContact CE1-CD2 4.09Å
1630C91.3Very high87.3Confident1 Ų136 Ų361%0.00720%0.195CC..Hα-helixtrans-58.4-38.8175.2-65.20000111.9L1626 F1627 T1632 L1633 W1785L1626-C1630 PolarHBondContact O-N 3.27Å; L1626-C1630 PolarHBondContact O-SG 3.48Å; F1627-C1630 WeakPolarHBondContact O-CB 3.48Å; F1627-C1630 PolarHBondContact O-N 3.41Å; F1627-C1630 VanDerWaalsContact O-N 3.16Å; C1630-T1632 VanDerWaalsContact C-N 3.32Å; C1630-T1632 PolarHBondContact O-N 3.2Å; C1630-L1633 WeakPolarHBondContact O-CB 3.43Å; C1630-L1633 PolarHBondContact O-N 3.07Å; C1630-W1785 HydrophobicContact CB-CB 4.15Å; C1630-W1785 HydrophobicContact CB-CE3 3.94Å
1631V89.8Confident86.9Confident12 Ų1236.6 Ų36.67%0.07320%0.195CC..Hα-helixtrans-72-20.4178.6171.50000113.1F1627 K1628 F1629 L1633 F1634 W1785 L1807 I1808F1627-V1631 WeakPolarHBondContact O-CG2 3.48Å; F1627-V1631 PolarHBondContact O-N 3.11Å; K1628-V1631 PolarHBondContact O-N 3.31Å; F1629-V1631 VanDerWaalsContact C-N 3.25Å; F1629-V1631 PolarHBondContact O-N 3.03Å; V1631-L1633 PolarHBondContact O-N 3.2Å; V1631-F1634 HydrophobicContact CG1-CD2 4.12Å; V1631-F1634 WeakPolarHBondContact O-CD2 3.5Å; V1631-F1634 PolarHBondContact O-N 3.44Å; V1631-W1785 HydrophobicContact CG2-CZ3 4.43Å; V1631-L1807 HydrophobicContact CG1-CB 4.11Å; V1631-L1807 VanDerWaalsContact CG1-O 3.26Å; V1631-L1807 WeakPolarHBondContact CG1-O 3.43Å; V1631-L1807 HydrophobicContact CG2-CB 3.98Å; V1631-L1807 HydrophobicContact CG2-CD1 4.29Å; V1631-I1808 HydrophobicContact CG2-CG1 4.04Å
1632T89.6Confident86.2Confident53 Ų5339.8 Ų39.833%0.32522%0.215SC..G310 helixtrans-57.3-17.3170.769.50000113.1K1628 F1629 C1630 F1634 N1635 D1636 K1781K1628-T1632 WeakPolarHBondContact O-CG2 2.94Å; K1628-T1632 PolarHBondContact O-N 3.45Å; K1628-T1632 VanDerWaalsContact O-N 3.1Å; F1629-T1632 WeakPolarHBondContact O-CB 3.38Å; F1629-T1632 PolarHBondContact O-N 3.38Å; F1629-T1632 VanDerWaalsContact O-N 3.09Å; F1629-T1632 PolarHBondContact O-OG1 2.62Å; C1630-T1632 VanDerWaalsContact C-N 3.32Å; C1630-T1632 PolarHBondContact O-N 3.2Å; T1632-F1634 PolarHBondContact O-N 3Å; T1632-N1635 CarbonylContact O-C 3.47Å; T1632-N1635 WeakPolarHBondContact O-CA 3.28Å; T1632-N1635 PolarHBondContact O-N 3.01Å; T1632-D1636 PolarHBondContact O-N 2.88Å; T1632-K1781 WeakPolarHBondContact OG1-CE 3.23Å; T1632-K1781 PolarHBondContact OG1-NZ 2.88Å
1633L89.6Confident85.4Confident0 Ų042.6 Ų42.60%023%0.233CC..G310 helixtrans-46-41.9167.4177.960.3000113.3C1630 V1631 N1635 D1636 L1639 Y1778 K1781 A1782 M1820 L1824C1630-L1633 WeakPolarHBondContact O-CB 3.43Å; C1630-L1633 PolarHBondContact O-N 3.07Å; V1631-L1633 PolarHBondContact O-N 3.2Å; L1633-N1635 PolarHBondContact O-N 3.16Å; L1633-D1636 WeakPolarHBondContact CA-OD2 3.41Å; L1633-D1636 WeakPolarHBondContact O-CB 3.31Å; L1633-D1636 PolarHBondContact O-N 3.32Å; L1633-L1639 HydrophobicContact CD1-CD1 4.08Å; L1633-L1639 HydrophobicContact CG-CD1 4.11Å; L1633-L1639 WeakPolarHBondContact O-CD1 3.47Å; L1633-Y1778 HydrophobicContact CD1-CD2 3.54Å; L1633-Y1778 HydrophobicContact CD1-CE2 4.05Å; L1633-K1781 HydrophobicContact CB-CB 4.19Å; L1633-K1781 HydrophobicContact CB-CD 4.07Å; L1633-A1782 HydrophobicContact CD2-CB 3.99Å; L1633-M1820 HydrophobicContact CD2-CG 3.76Å; L1633-M1820 HydrophobicContact CD2-SD 3.9Å; L1633-M1820 HydrophobicContact CG-CG 4.23Å; L1633-L1824 HydrophobicContact CD2-CD1 4.31Å; L1633-L1824 HydrophobicContact CD2-CD2 4.31Å
1634F89.3Confident84.2Confident0 Ų044.7 Ų44.70%025%0.248CC..G310 helixtrans-69.6-18.6-179.5-66.8-75.9000113.7V1631 T1632 C1640 I1808 E1811 L1812 Q1817 M1820 A1821 L1824V1631-F1634 HydrophobicContact CG1-CD2 4.12Å; V1631-F1634 WeakPolarHBondContact O-CD2 3.5Å; V1631-F1634 PolarHBondContact O-N 3.44Å; T1632-F1634 PolarHBondContact O-N 3Å; F1634-C1640 PolarHBondContact O-SG 3.33Å; F1634-C1640 VanDerWaalsContact O-SG 3.34Å; F1634-I1808 HydrophobicContact CD2-CG2 4.5Å; F1634-I1808 HydrophobicContact CE1-CG2 4.32Å; F1634-I1808 HydrophobicContact CE2-CB 4.33Å; F1634-I1808 HydrophobicContact CE2-CD1 4.25Å; F1634-I1808 HydrophobicContact CE2-CG1 3.89Å; F1634-I1808 HydrophobicContact CE2-CG2 3.77Å; F1634-I1808 HydrophobicContact CZ-CG2 3.67Å; F1634-E1811 HydrophobicContact CB-CB 3.85Å; F1634-E1811 HydrophobicContact CB-CG 4.45Å; F1634-E1811 HydrophobicContact CG-CB 4.48Å; F1634-L1812 HydrophobicContact CD1-CD2 3.71Å; F1634-L1812 HydrophobicContact CE1-CD2 3.69Å; F1634-L1812 HydrophobicContact CZ-CD2 4.49Å; F1634-Q1817 HydrophobicContact CD1-CB 4.16Å; F1634-Q1817 HydrophobicContact CD1-CG 4.33Å; F1634-Q1817 WeakPolarHBondContact CE1-O 3.38Å; F1634-Q1817 PolarHBondContact O-NE2 2.79Å; F1634-M1820 HydrophobicContact CE1-CB 4.12Å; F1634-M1820 HydrophobicContact CE1-CG 4.22Å; F1634-M1820 HydrophobicContact CZ-CG 4.49Å; F1634-A1821 HydrophobicContact CE1-CB 3.94Å; F1634-A1821 HydrophobicContact CZ-CB 4.01Å; F1634-L1824 HydrophobicContact CE2-CD1 3.69Å; F1634-L1824 HydrophobicContact CZ-CD1 3.69Å
1635N86.9Confident83Confident93 Ų9340.3 Ų40.350%0.49723%0.229SC..G310 helixtrans-99.7-1176.3-79.2-54.5000113.1T1632 L1633 E1811T1632-N1635 CarbonylContact O-C 3.47Å; T1632-N1635 WeakPolarHBondContact O-CA 3.28Å; T1632-N1635 PolarHBondContact O-N 3.01Å; L1633-N1635 PolarHBondContact O-N 3.16Å; N1635-E1811 PolarHBondContact ND2-OE2 3.33Å; N1635-E1811 PolarHBondContact OD1-OE2 3.26Å
1636D85.4Confident81.4Confident30 Ų3042.8 Ų42.816%0.1625%0.247CC..SBendtrans-63.7135.5173.8-76.4-36.6000110.2T1632 L1633 I1638 L1639 C1640 K1781T1632-D1636 PolarHBondContact O-N 2.88Å; L1633-D1636 WeakPolarHBondContact CA-OD2 3.41Å; L1633-D1636 WeakPolarHBondContact O-CB 3.31Å; L1633-D1636 PolarHBondContact O-N 3.32Å; D1636-I1638 PolarHBondContact O-N 3.3Å; D1636-L1639 PolarHBondContact O-N 2.92Å; D1636-C1640 PolarHBondContact O-N 3.31Å; D1636-K1781 IonicContact OD1-NZ 3.7Å; D1636-K1781 PolarHBondContact OD1-NZ 3.26Å; D1636-K1781 WeakPolarHBondContact OD2-CE 3.41Å; D1636-K1781 IonicContact OD2-NZ 2.77Å; D1636-K1781 PolarHBondContact OD2-NZ 3.41Å
1637P82.2Confident79.5Confident100 Ų10047.2 Ų47.265%0.64927%0.271SS*.Hα-helixtrans-59-24.5-173.223.3-34.2000112.7C1640 D1641P1637-C1640 PolarHBondContact O-N 2.98Å; P1637-D1641 WeakPolarHBondContact O-CB 3.36Å; P1637-D1641 PolarHBondContact O-N 3.5Å
1638I80.6Confident77.3Confident46 Ų4651 Ų5124%0.23630%0.297CS..Hα-helixtrans-62.4-39.2176.8-63.4174.3000112.7D1636 V1718 Y1726 D1774 Y1778D1636-I1638 PolarHBondContact O-N 3.3Å; I1638-V1718 VanDerWaalsContact O-CG1 3.29Å; I1638-V1718 WeakPolarHBondContact O-CG1 3.39Å; I1638-V1718 VanDerWaalsContact O-CG2 3.25Å; I1638-V1718 WeakPolarHBondContact O-CG2 3.41Å; I1638-Y1726 HydrophobicContact CG2-CD1 3.46Å; I1638-Y1726 VanDerWaalsContact CG2-CD1 3.46Å; I1638-Y1726 HydrophobicContact CG2-CE1 3.33Å; I1638-D1774 HydrophobicContact CD1-CB 4.39Å; I1638-Y1778 HydrophobicContact CD1-CD1 3.91Å; I1638-Y1778 HydrophobicContact CD1-CG 4.2Å
1639L82.9Confident75.1Confident1 Ų148.6 Ų48.61%0.00529%0.291CS..Hα-helixtrans-89.1-20179.4-65.4-176.5000113L1633 D1636 V1718 F1722 T1814 A1816 Q1817 M1820L1633-L1639 HydrophobicContact CD1-CD1 4.08Å; L1633-L1639 HydrophobicContact CG-CD1 4.11Å; L1633-L1639 WeakPolarHBondContact O-CD1 3.47Å; D1636-L1639 PolarHBondContact O-N 2.92Å; L1639-V1718 HydrophobicContact CD2-CG1 4.46Å; L1639-F1722 HydrophobicContact CD2-CE2 4.33Å; L1639-T1814 PolarHBondContact O-OG1 3.46Å; L1639-A1816 HydrophobicContact CD2-CB 4.28Å; L1639-Q1817 HydrophobicContact CB-CG 4.17Å; L1639-M1820 HydrophobicContact CD1-CB 4.06Å; L1639-M1820 HydrophobicContact CD1-CE 4.22Å; L1639-M1820 HydrophobicContact CD1-CG 3.89Å; L1639-M1820 HydrophobicContact CD2-CE 4.3Å
1640C82.5Confident72.6Confident48 Ų4852.4 Ų52.432%0.32431%0.313SS..Hα-helixtrans-88.2-11.2177.7-68.40000114F1634 D1636 P1637 T1642F1634-C1640 PolarHBondContact O-SG 3.33Å; F1634-C1640 VanDerWaalsContact O-SG 3.34Å; D1636-C1640 PolarHBondContact O-N 3.31Å; P1637-C1640 PolarHBondContact O-N 2.98Å; C1640-T1642 PolarHBondContact O-N 2.89Å; C1640-T1642 VanDerWaalsContact O-N 3.13Å
1641D75.7Confident70.1Confident51 Ų5156.3 Ų56.327%0.27334%0.338SS..  trans-63.6111.8-178.117223.4000111.9P1637 T1643 V1718P1637-D1641 WeakPolarHBondContact O-CB 3.36Å; P1637-D1641 PolarHBondContact O-N 3.5Å; D1641-T1643 WeakPolarHBondContact OD1-CB 3.45Å; D1641-T1643 WeakPolarHBondContact OD1-CG2 3.29Å; D1641-T1643 PolarHBondContact OD1-N 3.14Å; D1641-T1643 PolarHBondContact OD1-OG1 2.88Å; D1641-T1643 PolarHBondContact OD2-OG1 3.46Å; D1641-T1643 VanDerWaalsContact OD2-OG1 3.12Å; D1641-V1718 HydrophobicContact CB-CG2 3.64Å; D1641-V1718 VanDerWaalsContact O-CG2 3.29Å; D1641-V1718 WeakPolarHBondContact O-CG2 3.24Å
1642T71.3Confident67.5Low83 Ų8362.4 Ų62.451%0.50937%0.366SS..  trans-9610.3178.156.50000113.2C1640 P1644C1640-T1642 PolarHBondContact O-N 2.89Å; C1640-T1642 VanDerWaalsContact O-N 3.13Å; T1642-P1644 WeakPolarHBondContact O-CD 3.48Å
1643T71.2Confident65Low61 Ų6162.3 Ų62.337%0.37437%0.367SS..PPolyproline II helixtrans-62.7122.7-177.258.60000111.3D1641 K1717D1641-T1643 WeakPolarHBondContact OD1-CB 3.45Å; D1641-T1643 WeakPolarHBondContact OD1-CG2 3.29Å; D1641-T1643 PolarHBondContact OD1-N 3.14Å; D1641-T1643 PolarHBondContact OD1-OG1 2.88Å; D1641-T1643 PolarHBondContact OD2-OG1 3.46Å; D1641-T1643 VanDerWaalsContact OD2-OG1 3.12Å; T1643-K1717 PolarHBondContact O-N 2.82Å; T1643-K1717 VanDerWaalsContact O-N 3.07Å
1644P63.6Low62.5Low57 Ų5766.9 Ų66.937%0.3739%0.39SS..BIsolated β-bridgetrans-69.9152.3175.129-33.9000109.9T1642 S1646 K1714T1642-P1644 WeakPolarHBondContact O-CD 3.48Å; P1644-S1646 PolarHBondContact O-N 3.09Å; P1644-K1714 HydrophobicContact CB-CB 4.18Å
1645E63.3Low60Low17 Ų1772.9 Ų72.98%0.07942%0.416CS..PPolyproline II helixtrans-71.3122-178.7-168.2159.8-160.800112.1N1647 V1649 K1714 K1717 L1720 Y1721E1645-N1647 VanDerWaalsContact C-N 3.3Å; E1645-N1647 HydrophobicContact CG-CB 4.28Å; E1645-N1647 PolarHBondContact O-N 3.48Å; E1645-V1649 HydrophobicContact CG-CG2 4.49Å; E1645-V1649 WeakPolarHBondContact OE2-CG2 3.48Å; E1645-K1714 WeakPolarHBondContact O-CD 3.3Å; E1645-K1714 PolarHBondContact O-NZ 3.06Å; E1645-K1717 HydrophobicContact CB-CG 3.98Å; E1645-K1717 HydrophobicContact CG-CG 4.28Å; E1645-L1720 HydrophobicContact CB-CD1 4.32Å; E1645-L1720 WeakPolarHBondContact OE2-CD1 3.48Å; E1645-Y1721 WeakPolarHBondContact OE1-CE2 3.25Å; E1645-Y1721 PolarHBondContact OE1-OH 2.97Å
1646S53.6Low57.3Low88 Ų8871.6 Ų71.662%0.61541%0.411SS*.SBendtrans-66-34.517849.60000112P1644P1644-S1646 PolarHBondContact O-N 3.09Å
1647N51.9Low54.5Low99 Ų9974 Ų7453%0.52943%0.43SS..SBendtrans-77146.3-176.4-63.5-5.2000110.9E1645 V1649 K1714E1645-N1647 VanDerWaalsContact C-N 3.3Å; E1645-N1647 HydrophobicContact CG-CB 4.28Å; E1645-N1647 PolarHBondContact O-N 3.48Å; N1647-V1649 PolarHBondContact O-N 2.67Å; N1647-V1649 VanDerWaalsContact O-N 3.16Å; N1647-K1714 PolarHBondContact O-NZ 2.86Å
1648P41.8Very low52Low94 Ų9473.9 Ų73.961%0.6142%0.423SS*.  trans-75.296164.730.8-30.8000108.4D1650P1648-D1650 PolarHBondContact O-N 3Å
1649V44.7Very low49.5Very low53 Ų5376.7 Ų76.732%0.32145%0.446SS..  trans-67.3119.1165178.20000107.3E1645 N1647 M1654E1645-V1649 HydrophobicContact CG-CG2 4.49Å; E1645-V1649 WeakPolarHBondContact OE2-CG2 3.48Å; N1647-V1649 PolarHBondContact O-N 2.67Å; N1647-V1649 VanDerWaalsContact O-N 3.16Å; V1649-M1654 HydrophobicContact CG1-CB 4.47Å
1650D36.8Very low46.8Very low113 Ų11384.6 Ų84.660%0.60449%0.489SS*.  trans-60.5129.2174.4-89-38.7000109.6P1648 E1652 S1653 M1654P1648-D1650 PolarHBondContact O-N 3Å; D1650-E1652 PolarHBondContact O-N 3.19Å; D1650-S1653 PolarHBondContact O-N 3.24Å; D1650-S1653 PolarHBondContact O-OG 3.34Å; D1650-M1654 PolarHBondContact O-N 3.03Å
1651P38.8Very low44.4Very low84 Ų8488.6 Ų88.655%0.54551%0.511SS..THydrogen-bonded Turntrans-64.9-6.6-179.926.2-34.2000113.3F1655P1651-F1655 WeakPolarHBondContact O-CD2 3.31Å
1652E36.1Very low42Very low140 Ų14095.7 Ų95.765%0.65454%0.54SS*.THydrogen-bonded Turntrans-83.9-34.7168.7-62-150.4128.600113.4D1650 M1654 F1655 T1656D1650-E1652 PolarHBondContact O-N 3.19Å; E1652-M1654 VanDerWaalsContact C-N 3.33Å; E1652-F1655 PolarHBondContact O-N 3.34Å; E1652-T1656 PolarHBondContact O-OG1 3.45Å
1653S36.5Very low40Very low50 Ų5097.3 Ų97.335%0.3556%0.555SS.*G310 helixtrans-73.2-29.5175.667.50000111.9D1650 F1655 T1656D1650-S1653 PolarHBondContact O-N 3.24Å; D1650-S1653 PolarHBondContact O-OG 3.34Å; S1653-F1655 PolarHBondContact O-N 2.78Å; S1653-T1656 CarbonylContact O-C 3.34Å; S1653-T1656 PolarHBondContact O-N 2.75Å
1654M36.5Very low37.9Very low97 Ų97100.3 Ų100.348%0.47857%0.573SS.*G310 helixtrans-57.5-20.4174.4-144.6178.7-158.200114V1649 D1650 E1652 P1715 L1720V1649-M1654 HydrophobicContact CG1-CB 4.47Å; D1650-M1654 PolarHBondContact O-N 3.03Å; E1652-M1654 VanDerWaalsContact C-N 3.33Å; M1654-P1715 HydrophobicContact CE-CG 4.38Å; M1654-L1720 HydrophobicContact CE-CD2 3.39Å
1655F38Very low36.2Very low126 Ų126104.5 Ų104.555%0.55359%0.593SS**G310 helixtrans-103.2-8.5175.8-80.7-91.2000114.3P1651 E1652 S1653P1651-F1655 WeakPolarHBondContact O-CD2 3.31Å; E1652-F1655 PolarHBondContact O-N 3.34Å; S1653-F1655 PolarHBondContact O-N 2.78Å
1656T28.9Very low34.5Very low65 Ų65110 Ų11040%0.39962%0.622SS.*SBendtrans-151.483.5-177.3520000112.4E1652 S1653E1652-T1656 PolarHBondContact O-OG1 3.45Å; S1653-T1656 CarbonylContact O-C 3.34Å; S1653-T1656 PolarHBondContact O-N 2.75Å
1657C28.1Very low33.4Very low82 Ų82114 Ų11455%0.55463%0.631SS**  trans-152.8113.9161.5-100.80000109.8
1658I28.6Very low32.4Very low96 Ų96117 Ų11749%0.49265%0.647SS.*SBend-149146.8115.7-67.8-159.6000106.1E1724 L1729I1658-E1724 HydrophobicContact CD1-CG 3.85Å; I1658-E1724 HydrophobicContact CG1-CG 4.36Å; I1658-L1729 HydrophobicContact CD1-CD1 4.06Å
1659S28.7Very low32Very low105 Ų105118.1 Ų118.173%0.73465%0.652SS**  trans64.887.6173.470.90000118.5
1660D26.3Very low31.5Very low168 Ų168123.1 Ų123.190%0.89868%0.677SS**  trans-144.1108.6137.2-103.9-29.4000108.5
1661V31.1Very low31.7Very low131 Ų131122.1 Ų122.179%0.79468%0.675SS**  trans-13598.1170.1-179.30000110
1662K26Very low32.2Very low200 Ų200127.5 Ų127.587%0.8769%0.69SS**  trans5397.4149.7-59.6176.21791760118.5
1663S28.8Very low33Very low118 Ų118122.6 Ų122.683%0.82567%0.666SS**  -145.4130.1126.552.90000112.9
1664T28.3Very low33.9Very low124 Ų124130.8 Ų130.876%0.76169%0.689SS**  trans-12.1131.716551.20000121.5
1665N27.3Very low35Very low145 Ų145133.5 Ų133.578%0.77569%0.694SS**  trans67.8150.4141.2-69.27.6000122.6
1666D28.6Very low36.2Very low132 Ų132127.8 Ų127.871%0.70667%0.669SS**  trans79.886.3159.1-57.6-18.9000120.9
1667H29.2Very low37.9Very low172 Ų172127.4 Ų127.480%0.79667%0.669SS**  39.595.3124.4-64.1-72.4000119.7
1668N31.1Very low40Very low162 Ų162125.3 Ų125.387%0.86665%0.65SS**  -166128.2119.1-98-41.4000111.6
1669T34.1Very low41.7Very low118 Ų118122 Ų12272%0.72464%0.636SS**  trans-109.9168.8-169.148.70000113.8
1670N33.8Very low43.5Very low158 Ų158121.2 Ų121.285%0.84562%0.624SS**  trans93.311.6175.5-56.4-40.4000118.3K1672N1670-K1672 VanDerWaalsContact C-N 3.32Å; N1670-K1672 PolarHBondContact O-N 3.4Å
1671T41.1Very low45.3Very low92 Ų92121.4 Ų121.456%0.56461%0.612SS**  trans-87.722.8173.646.60000114.3F205F205-T1671 VanDerWaalsContact CD1-O 3.28Å; F205-T1671 WeakPolarHBondContact CD1-O 3.38Å; F205-T1671 HydrophobicContact CE1-CG2 4.15Å; F205-T1671 WeakPolarHBondContact CE1-O 3.47Å; F205-T1671 HydrophobicContact CZ-CG2 3.83Å
1672K49.7Very low46.9Very low197 Ų197117.2 Ų117.286%0.85758%0.584SS**PPolyproline II helixtrans-101.3119.2179.6-79.2-174.1174.8179.40112.5N1670 R1674N1670-K1672 VanDerWaalsContact C-N 3.32Å; N1670-K1672 PolarHBondContact O-N 3.4Å; K1672-R1674 PolarHBondContact O-N 3.29Å
1673W52.1Low48.5Very low37 Ų37110.6 Ų110.614%0.1455%0.553CS.*PPolyproline II helixtrans-53.5127.5168.1-123.946.7000110L168 I171 Q172 I206 E209L168-W1673 HydrophobicContact CB-CH2 4.23Å; L168-W1673 HydrophobicContact CB-CZ2 3.56Å; L168-W1673 HydrophobicContact CD1-CZ2 4.46Å; L168-W1673 HydrophobicContact CD2-CZ2 3.73Å; L168-W1673 HydrophobicContact CG-CZ2 4.07Å; I171-W1673 HydrophobicContact CG2-CH2 4.43Å; Q172-W1673 HydrophobicContact CG-CE3 3.84Å; Q172-W1673 HydrophobicContact CG-CH2 4.05Å; Q172-W1673 HydrophobicContact CG-CZ3 3.29Å; I206-W1673 HydrophobicContact CB-CZ2 4.31Å; I206-W1673 HydrophobicContact CD1-CZ2 4.5Å; I206-W1673 HydrophobicContact CG1-CZ2 3.86Å; I206-W1673 HydrophobicContact CG2-CH2 4.41Å; I206-W1673 HydrophobicContact CG2-CZ2 4.28Å; E209-W1673 HydrophobicContact CB-CE3 3.94Å; E209-W1673 HydrophobicContact CB-CZ3 3.77Å; E209-W1673 HydrophobicContact CG-CD2 4.41Å; E209-W1673 HydrophobicContact CG-CE3 3.47Å; E209-W1673 VanDerWaalsContact CG-CE3 3.47Å; E209-W1673 HydrophobicContact CG-CZ3 3.79Å
1674R56.6Low50Low221 Ų221111.1 Ų111.183%0.83454%0.541SS*.PPolyproline II helixtrans-70.4136.3176.3-83.5-175.9169.8-169-3.2110.3Q172 K1672Q172-R1674 PolarHBondContact NE2-O 3.25Å; Q172-R1674 PolarHBondContact OE1-O 2.84Å; K1672-R1674 PolarHBondContact O-N 3.29Å
1675R57.6Low51.3Low155 Ų155110.5 Ų110.559%0.58553%0.532SS*.PPolyproline II helixtrans-61.9136164.8-71-174-178.5175.91.3109.6S1677R1675-S1677 PolarHBondContact O-N 2.81Å
1676S63.2Low52.4Low5 Ų5106.9 Ų106.94%0.03551%0.512CS..PPolyproline II helixtrans-49.6129.7176.7165.60000111.7E169 Q172 R1678 A1679 L1680E169-S1676 WeakPolarHBondContact CG-OG 3.43Å; E169-S1676 WeakPolarHBondContact OE1-CB 3.36Å; E169-S1676 PolarHBondContact OE1-OG 2.75Å; Q172-S1676 VanDerWaalsContact OE1-CB 3.28Å; S1676-R1678 PolarHBondContact O-N 3.24Å; S1676-R1678 WeakPolarHBondContact OG-CB 3.39Å; S1676-R1678 PolarHBondContact OG-N 3.28Å; S1676-R1678 VanDerWaalsContact OG-N 3.15Å; S1676-A1679 PolarHBondContact O-N 3.34Å; S1676-A1679 PolarHBondContact OG-N 2.78Å; S1676-A1679 VanDerWaalsContact OG-N 3.08Å; S1676-L1680 PolarHBondContact O-N 3.16Å; S1676-L1680 VanDerWaalsContact O-N 3.12Å
1677S66.5Low53.3Low57 Ų57104.7 Ų104.740%0.39950%0.5SS..Hα-helixtrans-64.9-32.9174.9730000111.3E169 R1675 R1681E169-S1677 PolarHBondContact OE1-N 3.49Å; R1675-S1677 PolarHBondContact O-N 2.81Å; S1677-R1681 VanDerWaalsContact O-CG 3.3Å; S1677-R1681 WeakPolarHBondContact O-CG 3.44Å; S1677-R1681 PolarHBondContact O-N 3.35Å; S1677-R1681 VanDerWaalsContact O-N 3.08Å
1678R70.3Confident53.9Low39 Ų39100.5 Ų100.515%0.14749%0.487CS..Hα-helixtrans-67.8-44.1175.4-66.2169.8171.2764.8111.8E169 L173 S1676 L1680 R1681 H1682 D1975E169-R1678 PolarHBondContact OE1-N 3Å; E169-R1678 IonicContact OE1-NH1 2.67Å; E169-R1678 IonicContact OE2-CZ 3.73Å; E169-R1678 IonicContact OE2-NH1 3.91Å; E169-R1678 PolarHBondContact OE2-NH1 2.88Å; L173-R1678 HydrophobicContact CD1-CB 4.01Å; L173-R1678 HydrophobicContact CD2-CB 4.1Å; S1676-R1678 PolarHBondContact O-N 3.24Å; S1676-R1678 WeakPolarHBondContact OG-CB 3.39Å; S1676-R1678 PolarHBondContact OG-N 3.28Å; S1676-R1678 VanDerWaalsContact OG-N 3.15Å; R1678-L1680 PolarHBondContact O-N 2.73Å; R1678-R1681 PolarHBondContact O-N 3.09Å; R1678-H1682 PolarHBondContact O-N 3.11Å; R1678-D1975 IonicContact CZ-OD2 3.14Å; R1678-D1975 VanDerWaalsContact CZ-OD2 3.25Å; R1678-D1975 IonicContact NH1-OD2 3.22Å; R1678-D1975 PolarHBondContact NH1-OD2 2.74Å; R1678-D1975 IonicContact NH2-OD2 3.06Å; R1678-D1975 PolarHBondContact NH2-OD2 2.76Å
1679A65.4Low54.2Low25 Ų2599.3 Ų99.321%0.20748%0.48CS..Hα-helixtrans-61.3-45.1176.100000111.5L173 S1676 R1681 H1682 R1683L173-A1679 HydrophobicContact CD2-CB 4Å; S1676-A1679 PolarHBondContact O-N 3.34Å; S1676-A1679 PolarHBondContact OG-N 2.78Å; S1676-A1679 VanDerWaalsContact OG-N 3.08Å; A1679-R1681 VanDerWaalsContact C-N 3.32Å; A1679-R1681 PolarHBondContact O-N 2.81Å; A1679-H1682 PolarHBondContact O-N 3.36Å; A1679-R1683 PolarHBondContact O-N 2.74Å
1680L67.3Low54.5Low90 Ų90100.3 Ų100.347%0.47148%0.48SS..Hα-helixtrans-62.1-38.2177.3-156.983.4000112.3S1676 R1678 K1684S1676-L1680 PolarHBondContact O-N 3.16Å; S1676-L1680 VanDerWaalsContact O-N 3.12Å; R1678-L1680 PolarHBondContact O-N 2.73Å; L1680-K1684 WeakPolarHBondContact O-CB 3.36Å; L1680-K1684 WeakPolarHBondContact O-CG 3.49Å; L1680-K1684 PolarHBondContact O-N 3.11Å
1681R64Low54.4Low172 Ų17297.3 Ų97.365%0.64947%0.468SS*.Hα-helixtrans-67.4-39.3173.6-74.3174.4-174178.74.4112.6S1677 R1678 A1679 K1684 L1685S1677-R1681 VanDerWaalsContact O-CG 3.3Å; S1677-R1681 WeakPolarHBondContact O-CG 3.44Å; S1677-R1681 PolarHBondContact O-N 3.35Å; S1677-R1681 VanDerWaalsContact O-N 3.08Å; R1678-R1681 PolarHBondContact O-N 3.09Å; A1679-R1681 VanDerWaalsContact C-N 3.32Å; A1679-R1681 PolarHBondContact O-N 2.81Å; R1681-K1684 PolarHBondContact O-N 2.98Å; R1681-L1685 WeakPolarHBondContact O-CB 3.27Å; R1681-L1685 PolarHBondContact O-N 3.4Å
1682H64.1Low53.9Low43 Ų4398.2 Ų98.220%0.19948%0.478CS..Hα-helixtrans-66.2-42.9177.6-177.6-85.6000111.9R1678 A1679 L1685 L1686R1678-H1682 PolarHBondContact O-N 3.11Å; A1679-H1682 PolarHBondContact O-N 3.36Å; H1682-L1685 WeakPolarHBondContact O-CB 3.2Å; H1682-L1685 PolarHBondContact O-N 3.44Å; H1682-L1686 PolarHBondContact O-N 3.03Å; H1682-L1686 VanDerWaalsContact O-N 3.07Å
1683R60.5Low53.2Low60 Ų6094.7 Ų94.723%0.22647%0.473CS..Hα-helixtrans-59.5-50171.8179.6164.1170.9150.3-9.1111.2E178 A1679 L1685 L1686 D1687E178-R1683 IonicContact OE1-NH1 2.77Å; E178-R1683 PolarHBondContact OE1-NH1 3.44Å; A1679-R1683 PolarHBondContact O-N 2.74Å; R1683-L1685 VanDerWaalsContact C-N 3.25Å; R1683-L1685 PolarHBondContact O-N 3.36Å; R1683-L1686 WeakPolarHBondContact O-CA 3.2Å; R1683-L1686 WeakPolarHBondContact O-CB 3.38Å; R1683-L1686 PolarHBondContact O-N 2.77Å; R1683-D1687 WeakPolarHBondContact CG-OD2 3.48Å; R1683-D1687 VanDerWaalsContact O-CG 3.3Å; R1683-D1687 PolarHBondContact O-N 2.83Å
1684K58.9Low52.2Low130 Ų13099.1 Ų99.157%0.56550%0.499SS*.Hα-helixtrans-55.9-35.8172.7-75.7-173.3176.8-163.70113.2L1680 R1681 D1687 V1688L1680-K1684 WeakPolarHBondContact O-CB 3.36Å; L1680-K1684 WeakPolarHBondContact O-CG 3.49Å; L1680-K1684 PolarHBondContact O-N 3.11Å; R1681-K1684 PolarHBondContact O-N 2.98Å; K1684-D1687 PolarHBondContact O-N 3Å; K1684-V1688 WeakPolarHBondContact O-CB 3.45Å; K1684-V1688 WeakPolarHBondContact O-CG2 3.26Å; K1684-V1688 PolarHBondContact O-N 2.97Å
1685L56.2Low51Low110 Ų11095.4 Ų95.458%0.57650%0.496SS*.Hα-helixtrans-69.1-31.2175.4-85.8159.4000113.5R1681 H1682 R1683 N1689R1681-L1685 WeakPolarHBondContact O-CB 3.27Å; R1681-L1685 PolarHBondContact O-N 3.4Å; H1682-L1685 WeakPolarHBondContact O-CB 3.2Å; H1682-L1685 PolarHBondContact O-N 3.44Å; R1683-L1685 VanDerWaalsContact C-N 3.25Å; R1683-L1685 PolarHBondContact O-N 3.36Å; L1685-N1689 PolarHBondContact O-ND2 3.03Å; L1685-N1689 VanDerWaalsContact O-ND2 3.17Å
1686L51.2Low49.8Very low70 Ų7095 Ų9537%0.36651%0.51SS..Hα-helixtrans-71.9-43.7171.4-66.6171.7000110.8H1682 R1683 N1689H1682-L1686 PolarHBondContact O-N 3.03Å; H1682-L1686 VanDerWaalsContact O-N 3.07Å; R1683-L1686 WeakPolarHBondContact O-CA 3.2Å; R1683-L1686 WeakPolarHBondContact O-CB 3.38Å; R1683-L1686 PolarHBondContact O-N 2.77Å; L1686-N1689 PolarHBondContact O-N 3.44Å
1687D46.6Very low48.3Very low85 Ų85100.2 Ų100.246%0.45554%0.542SS..Hα-helixtrans-70.9-35.7-179.3-58.7-28.7000112.6R1683 K1684 N1689 L1690 T1691R1683-D1687 WeakPolarHBondContact CG-OD2 3.48Å; R1683-D1687 VanDerWaalsContact O-CG 3.3Å; R1683-D1687 PolarHBondContact O-N 2.83Å; K1684-D1687 PolarHBondContact O-N 3Å; D1687-N1689 VanDerWaalsContact C-N 3.31Å; D1687-N1689 PolarHBondContact O-N 3.13Å; D1687-L1690 PolarHBondContact O-N 3.02Å; D1687-T1691 PolarHBondContact O-N 3.45Å; D1687-T1691 PolarHBondContact O-OG1 3.31Å
1688V42.4Very low46.5Very low84 Ų84105 Ų10551%0.50956%0.563SS.*Hα-helixtrans-71-24.6178.1166.10000112.1K1684 L1690 T1691K1684-V1688 WeakPolarHBondContact O-CB 3.45Å; K1684-V1688 WeakPolarHBondContact O-CG2 3.26Å; K1684-V1688 PolarHBondContact O-N 2.97Å; V1688-L1690 PolarHBondContact O-N 3.13Å; V1688-T1691 CarbonylContact O-C 3.48Å; V1688-T1691 PolarHBondContact O-N 3.36Å
1689N37Very low44.5Very low137 Ų137107.3 Ų107.373%0.73359%0.59SS**THydrogen-bonded Turntrans-70.7-7.2169.4-75.7-28.2000113.2L1685 L1686 D1687L1685-N1689 PolarHBondContact O-ND2 3.03Å; L1685-N1689 VanDerWaalsContact O-ND2 3.17Å; L1686-N1689 PolarHBondContact O-N 3.44Å; D1687-N1689 VanDerWaalsContact C-N 3.31Å; D1687-N1689 PolarHBondContact O-N 3.13Å
1690L39.6Very low42.8Very low139 Ų139111.2 Ų111.273%0.72862%0.616SS**THydrogen-bonded Turntrans-102.3-6.7166.6-85.586.3000113.5D1687 V1688D1687-L1690 PolarHBondContact O-N 3.02Å; V1688-L1690 PolarHBondContact O-N 3.13Å
1691T31.5Very low41.1Very low96 Ų96116 Ų11659%0.58964%0.635SS**  trans-140.778.1-171.245.50000113.2D1687 V1688D1687-T1691 PolarHBondContact O-N 3.45Å; D1687-T1691 PolarHBondContact O-OG1 3.31Å; V1688-T1691 CarbonylContact O-C 3.48Å; V1688-T1691 PolarHBondContact O-N 3.36Å
1692S31.2Very low39.3Very low110 Ų110112 Ų11277%0.76964%0.64SS**  trans-73.7152.7156.356.30000111.1
1693V34.3Very low37.8Very low124 Ų124116 Ų11675%0.75267%0.667SS**  trans97.490.2177.6-171.20000115.1
1694D32.7Very low36.4Very low129 Ų129117.9 Ų117.969%0.6969%0.689SS**  trans71104.8135.9-57.3-21.9000123.8
1695N30.8Very low35.2Very low143 Ų143122 Ų12277%0.76571%0.708SS**  35.3114.7114.2-57.9-46.4000119.3
1696V32.7Very low33.9Very low146 Ų146124.9 Ų124.989%0.88572%0.716SS**  -173.2157.7114.9144.50000110.9
1697T31.3Very low33.1Very low115 Ų115128.9 Ų128.971%0.70674%0.737SS**  trans-94.2155.7-16545.90000116.3
1698L29.4Very low32.4Very low159 Ų159133 Ų13383%0.83275%0.754SS**  trans78110.4147.3-72.7158.5000121.1
1699A28.1Very low31.8Very low87 Ų87137.3 Ų137.372%0.71977%0.774SS**  72.4152.3127.100000122.2
1700S29.5Very low31.6Very low107 Ų107136 Ų13675%0.74878%0.775SS**  trans65.6120.9170.445.10000119.9
1701E30.5Very low31.4Very low189 Ų189134.4 Ų134.488%0.88378%0.782SS**  trans63.5100.4135-61.9178.5179.700120.8
1702A27.8Very low32.3Very low89 Ų89136.7 Ų136.774%0.73679%0.79SS**  trans68136132.200000122.2
1703T32.3Very low33.6Very low127 Ų127134.1 Ų134.178%0.77977%0.768SS**  trans6895.3153.249.10000120.2
1704S29.9Very low35.1Very low99 Ų99133 Ų13369%0.69275%0.753SS**  48.5113.5129.361.90000121
1705F33.5Very low37Very low218 Ų218127.6 Ų127.696%0.95673%0.725SS**  -156.4148.2124.3-101.5-75.5000109.2
1706K29.9Very low39.3Very low170 Ų170122 Ų12274%0.73970%0.696SS**  trans-132.3140.9179.5-79.8-177.51751780109.3
1707D35Very low41.6Very low154 Ų154118.1 Ų118.182%0.82467%0.667SS**  trans-153107.1152.2-82.3-40.5000105.7
1708E31.8Very low44Very low170 Ų170112.8 Ų112.879%0.79463%0.634SS**  69.8101.388.4-70.6-150.7167.500114.9
1709N30Very low46.5Very low175 Ų175105.4 Ų105.494%0.93660%0.596SS**  trans173.372.9144.1-92.2-44.9000113
1710S32.2Very low49.1Very low109 Ų109102.6 Ų102.676%0.76257%0.569SS**  trans-177.382.5158.9-177.40000109.4L1712S1710-L1712 PolarHBondContact O-N 2.96Å; S1710-L1712 VanDerWaalsContact O-N 3.15Å
1711A35.9Very low51.7Low106 Ų106100.1 Ų100.188%0.87654%0.544SS*.  trans-83.791.2-170.100000112.6
1712L50.1Low54.3Low144 Ų14491.1 Ų91.175%0.75450%0.502SS*.PPolyproline II helixtrans-61.2134.7159.9-78.6106.3000110.1S1710 K1714S1710-L1712 PolarHBondContact O-N 2.96Å; S1710-L1712 VanDerWaalsContact O-N 3.15Å; L1712-K1714 PolarHBondContact O-N 3.26Å
1713L58.5Low57Low57 Ų5787.1 Ų87.130%0.29847%0.468SS..PPolyproline II helixtrans-62.7116.4173.9-77.8161000110Y1863 V1891 P1892L1713-Y1863 HydrophobicContact CD2-CD2 3.94Å; L1713-Y1863 HydrophobicContact CD2-CE2 4.21Å; L1713-V1891 HydrophobicContact CB-CG2 4.47Å; L1713-P1892 WeakPolarHBondContact O-CD 3.4Å
1714K65.5Low59.3Low100 Ų10084.3 Ų84.344%0.43545%0.446SS..PPolyproline II helixtrans-65.7141.5175.8-66.4-171.6-177.9-172.70110.6P1644 E1645 N1647 L1712P1644-K1714 HydrophobicContact CB-CB 4.18Å; E1645-K1714 WeakPolarHBondContact O-CD 3.3Å; E1645-K1714 PolarHBondContact O-NZ 3.06Å; N1647-K1714 PolarHBondContact O-NZ 2.86Å; L1712-K1714 PolarHBondContact O-N 3.26Å
1715P72.3Confident61.6Low16 Ų1684.7 Ų84.710%0.10444%0.435CS..PPolyproline II helixtrans-67.2156.117228-33.4000111.9M1654 L1720 P1892 V1894M1654-P1715 HydrophobicContact CE-CG 4.38Å; P1715-L1720 HydrophobicContact CB-CG 4.47Å; P1715-L1720 HydrophobicContact CG-CD1 4.07Å; P1715-L1720 HydrophobicContact CG-CD2 3.81Å; P1715-L1720 HydrophobicContact CG-CG 3.98Å; P1715-P1892 HydrophobicContact CB-CG 4.31Å; P1715-P1892 HydrophobicContact CG-CG 4.47Å; P1715-V1894 HydrophobicContact CB-CG2 3.67Å; P1715-V1894 HydrophobicContact CG-CG2 4.01Å
1716P79Confident63.9Low24 Ų2476.1 Ų76.116%0.15640%0.397CS..BIsolated β-bridgetrans-64147.7174.9-21.733.7000112.7V1718 A1719 L1720P1716-V1718 VanDerWaalsContact C-N 3.27Å; P1716-V1718 PolarHBondContact O-N 3.17Å; P1716-A1719 PolarHBondContact O-N 3.33Å; P1716-A1719 VanDerWaalsContact O-N 3.14Å; P1716-L1720 PolarHBondContact O-N 3.16Å
1717K80.6Confident66.4Low66 Ų6668 Ų6829%0.28736%0.361SS..Hα-helixtrans-55.1-40.4177-68.9172.7-173.8167.30113T1643 E1645 A1719 L1720 Y1721T1643-K1717 PolarHBondContact O-N 2.82Å; T1643-K1717 VanDerWaalsContact O-N 3.07Å; E1645-K1717 HydrophobicContact CB-CG 3.98Å; E1645-K1717 HydrophobicContact CG-CG 4.28Å; K1717-A1719 VanDerWaalsContact C-N 3.3Å; K1717-A1719 PolarHBondContact O-N 2.72Å; K1717-L1720 PolarHBondContact O-N 3Å; K1717-Y1721 HydrophobicContact CB-CD2 4.49Å; K1717-Y1721 WeakPolarHBondContact O-CD2 3.19Å; K1717-Y1721 PolarHBondContact O-N 3.38Å
1718V82.4Confident68.5Low2 Ų262 Ų621%0.01233%0.331CS..Hα-helixtrans-61.7-39.9-179.2-168.80000111.6I1638 L1639 D1641 P1716 F1722 Y1726 A1816I1638-V1718 VanDerWaalsContact O-CG1 3.29Å; I1638-V1718 WeakPolarHBondContact O-CG1 3.39Å; I1638-V1718 VanDerWaalsContact O-CG2 3.25Å; I1638-V1718 WeakPolarHBondContact O-CG2 3.41Å; L1639-V1718 HydrophobicContact CD2-CG1 4.46Å; D1641-V1718 HydrophobicContact CB-CG2 3.64Å; D1641-V1718 VanDerWaalsContact O-CG2 3.29Å; D1641-V1718 WeakPolarHBondContact O-CG2 3.24Å; P1716-V1718 VanDerWaalsContact C-N 3.27Å; P1716-V1718 PolarHBondContact O-N 3.17Å; V1718-F1722 WeakPolarHBondContact O-CA 3.21Å; V1718-F1722 PolarHBondContact O-N 3.43Å; V1718-F1722 VanDerWaalsContact O-N 3.15Å; V1718-Y1726 HydrophobicContact CB-CE2 4.38Å; V1718-Y1726 HydrophobicContact CG1-CD2 4.25Å; V1718-Y1726 HydrophobicContact CG1-CE2 4.03Å; V1718-A1816 HydrophobicContact CB-CB 4.23Å; V1718-A1816 HydrophobicContact CG1-CB 3.49Å; V1718-A1816 VanDerWaalsContact CG1-CB 3.49Å
1719A82.5Confident70.3Confident4 Ų455.5 Ų55.53%0.03330%0.301CS..Hα-helixtrans-66.1-44.4176.800000111P1716 K1717 E1815 V1894 H1895P1716-A1719 PolarHBondContact O-N 3.33Å; P1716-A1719 VanDerWaalsContact O-N 3.14Å; K1717-A1719 VanDerWaalsContact C-N 3.3Å; K1717-A1719 PolarHBondContact O-N 2.72Å; A1719-E1815 HydrophobicContact CB-CB 4.36Å; A1719-V1894 HydrophobicContact CB-CG2 4.13Å; A1719-H1895 PolarHBondContact O-CD2 2.61Å; A1719-H1895 PolarHBondContact O-NE2 2.86Å
1720L81.7Confident71.8Confident28 Ų2850.1 Ų50.115%0.14727%0.272CS..Hα-helixtrans-61.3-54.9178.6-69.4171.8000112.3E1645 M1654 P1715 P1716 K1717 F1722 V1894E1645-L1720 HydrophobicContact CB-CD1 4.32Å; E1645-L1720 WeakPolarHBondContact OE2-CD1 3.48Å; M1654-L1720 HydrophobicContact CE-CD2 3.39Å; P1715-L1720 HydrophobicContact CB-CG 4.47Å; P1715-L1720 HydrophobicContact CG-CD1 4.07Å; P1715-L1720 HydrophobicContact CG-CD2 3.81Å; P1715-L1720 HydrophobicContact CG-CG 3.98Å; P1716-L1720 PolarHBondContact O-N 3.16Å; K1717-L1720 PolarHBondContact O-N 3Å; L1720-F1722 VanDerWaalsContact C-N 3.3Å; L1720-F1722 PolarHBondContact O-N 3.2Å; L1720-V1894 HydrophobicContact CD2-CG1 3.99Å; L1720-V1894 HydrophobicContact CD2-CG2 3.82Å; L1720-V1894 HydrophobicContact CG-CG2 4.39Å
1721Y83.6Confident72.6Confident56 Ų5650 Ų5022%0.2226%0.26CS..THydrogen-bonded Turntrans-87.411.9-173.2-62.5-72.8000114.2E1645 K1717 F1723 E1724 K1725 Y1726E1645-Y1721 WeakPolarHBondContact OE1-CE2 3.25Å; E1645-Y1721 PolarHBondContact OE1-OH 2.97Å; K1717-Y1721 HydrophobicContact CB-CD2 4.49Å; K1717-Y1721 WeakPolarHBondContact O-CD2 3.19Å; K1717-Y1721 PolarHBondContact O-N 3.38Å; Y1721-F1723 PolarHBondContact O-N 2.71Å; Y1721-E1724 WeakPolarHBondContact CD1-OE2 3.24Å; Y1721-E1724 PolarHBondContact O-N 2.98Å; Y1721-K1725 HydrophobicContact CG-CD 4.22Å; Y1721-K1725 PolarHBondContact O-N 2.66Å; Y1721-Y1726 WeakPolarHBondContact O-CD2 3.29Å
1722F85.2Confident72.9Confident0 Ų054.8 Ų54.80%026%0.261CS..Iπ-helixtrans-48.3-55-174.4-169.3-94.7000113.2L223 L1639 V1718 L1720 E1724 Y1726 L1727 A1816 L1819 M1820L223-F1722 HydrophobicContact CD2-CE1 4.49Å; L1639-F1722 HydrophobicContact CD2-CE2 4.33Å; V1718-F1722 WeakPolarHBondContact O-CA 3.21Å; V1718-F1722 PolarHBondContact O-N 3.43Å; V1718-F1722 VanDerWaalsContact O-N 3.15Å; L1720-F1722 VanDerWaalsContact C-N 3.3Å; L1720-F1722 PolarHBondContact O-N 3.2Å; F1722-E1724 VanDerWaalsContact C-N 3.31Å; F1722-E1724 PolarHBondContact O-N 2.74Å; F1722-Y1726 WeakPolarHBondContact O-CB 3.48Å; F1722-Y1726 PolarHBondContact O-N 2.95Å; F1722-L1727 HydrophobicContact CD1-CB 4.35Å; F1722-L1727 HydrophobicContact CE1-CB 3.85Å; F1722-L1727 HydrophobicContact CE1-CD2 3.91Å; F1722-L1727 HydrophobicContact CZ-CB 4.25Å; F1722-L1727 HydrophobicContact CZ-CD2 4.43Å; F1722-L1727 PolarHBondContact O-N 3.35Å; F1722-A1816 HydrophobicContact CD2-CB 3.98Å; F1722-A1816 HydrophobicContact CE2-CB 4.26Å; F1722-A1816 WeakPolarHBondContact CE2-O 3.07Å; F1722-L1819 HydrophobicContact CB-CD1 4.31Å; F1722-L1819 HydrophobicContact CD1-CB 4.06Å; F1722-L1819 HydrophobicContact CD1-CD1 3.85Å; F1722-L1819 HydrophobicContact CD2-CB 4.48Å; F1722-L1819 HydrophobicContact CD2-CD1 4.42Å; F1722-L1819 HydrophobicContact CE1-CB 3.62Å; F1722-L1819 HydrophobicContact CE1-CD1 4.29Å; F1722-L1819 HydrophobicContact CE2-CB 4.07Å; F1722-L1819 HydrophobicContact CG-CB 4.47Å; F1722-L1819 HydrophobicContact CG-CD1 3.92Å; F1722-L1819 HydrophobicContact CZ-CB 3.62Å; F1722-M1820 HydrophobicContact CE2-CE 4.28Å; F1722-M1820 HydrophobicContact CZ-CB 4.43Å; F1722-M1820 HydrophobicContact CZ-CE 4.1Å
1723F85.6Confident72.1Confident4 Ų451.8 Ų51.82%0.01825%0.249CC..Iπ-helixtrans-84.20.7-178-68-75.9000114.9R219 R222 L223 Y1721 L1727 P1728 L1729 L1819 H1895 T1898R219-F1723 HydrophobicContact CB-CD1 4.39Å; R219-F1723 HydrophobicContact CB-CD2 4.08Å; R219-F1723 HydrophobicContact CB-CE1 4.29Å; R219-F1723 HydrophobicContact CB-CE2 4Å; R219-F1723 HydrophobicContact CB-CG 4.28Å; R219-F1723 HydrophobicContact CB-CZ 4.1Å; R219-F1723 HydrophobicContact CG-CB 4.28Å; R219-F1723 HydrophobicContact CG-CD1 4.4Å; R219-F1723 HydrophobicContact CG-CD2 3.85Å; R219-F1723 HydrophobicContact CG-CE2 4.28Å; R219-F1723 HydrophobicContact CG-CG 3.92Å; R219-F1723 WeakPolarHBondContact O-CE1 3.32Å; R222-F1723 HydrophobicContact CB-CE1 4.44Å; L223-F1723 HydrophobicContact CD1-CZ 4.08Å; L223-F1723 HydrophobicContact CD2-CE1 3.92Å; L223-F1723 HydrophobicContact CD2-CZ 3.98Å; L223-F1723 HydrophobicContact CG-CE1 4.05Å; L223-F1723 HydrophobicContact CG-CZ 3.96Å; Y1721-F1723 PolarHBondContact O-N 2.71Å; F1723-L1727 WeakPolarHBondContact CA-O 3.5Å; F1723-L1727 HydrophobicContact CE1-CD2 4.35Å; F1723-P1728 WeakPolarHBondContact O-CA 3.47Å; F1723-L1729 HydrophobicContact CB-CD2 4.12Å; F1723-L1729 HydrophobicContact CB-CG 4.2Å; F1723-L1729 HydrophobicContact CD1-CD2 3.82Å; F1723-L1729 HydrophobicContact CG-CD2 4.28Å; F1723-L1729 PolarHBondContact O-N 3.11Å; F1723-L1819 HydrophobicContact CE2-CD1 4.23Å; F1723-H1895 AromaticContact CD2-CE1 3.69Å; F1723-H1895 AromaticContact CD2-ND1 3.79Å; F1723-H1895 AromaticContact CE2-ND1 3.8Å; F1723-T1898 HydrophobicContact CE2-CG2 4.08Å; F1723-T1898 HydrophobicContact CZ-CG2 3.93Å
1724E80.4Confident70.6Confident69 Ų6954.8 Ų54.832%0.32227%0.265SS..Iπ-helixtrans-106.6-46.3-177.6-69.7179.2-164.800111.9I1658 Y1721 F1722I1658-E1724 HydrophobicContact CD1-CG 3.85Å; I1658-E1724 HydrophobicContact CG1-CG 4.36Å; Y1721-E1724 WeakPolarHBondContact CD1-OE2 3.24Å; Y1721-E1724 PolarHBondContact O-N 2.98Å; F1722-E1724 VanDerWaalsContact C-N 3.31Å; F1722-E1724 PolarHBondContact O-N 2.74Å
1725K77.6Confident69Low107 Ų10754.2 Ų54.247%0.46527%0.273SS..Iπ-helixtrans-106.5-35.1-176.3-66.8-176.8-179.2176.40113.6Y1721 V1775Y1721-K1725 HydrophobicContact CG-CD 4.22Å; Y1721-K1725 PolarHBondContact O-N 2.66Å; K1725-V1775 VanDerWaalsContact O-CG1 3.24Å; K1725-V1775 WeakPolarHBondContact O-CG1 3.34Å
1726Y81Confident66.9Low38 Ų3859 Ų5915%0.14930%0.298CS..Iπ-helixtrans-97.4-59-168.4-56.6-71.6000110.8I1638 V1718 Y1721 F1722 P1728 Y1778I1638-Y1726 HydrophobicContact CG2-CD1 3.46Å; I1638-Y1726 VanDerWaalsContact CG2-CD1 3.46Å; I1638-Y1726 HydrophobicContact CG2-CE1 3.33Å; V1718-Y1726 HydrophobicContact CB-CE2 4.38Å; V1718-Y1726 HydrophobicContact CG1-CD2 4.25Å; V1718-Y1726 HydrophobicContact CG1-CE2 4.03Å; Y1721-Y1726 WeakPolarHBondContact O-CD2 3.29Å; F1722-Y1726 WeakPolarHBondContact O-CB 3.48Å; F1722-Y1726 PolarHBondContact O-N 2.95Å; Y1726-P1728 VanDerWaalsContact C-CD 3.43Å; Y1726-P1728 WeakPolarHBondContact O-CD 3.05Å; Y1726-Y1778 WeakPolarHBondContact CA-OH 3.38Å; Y1726-Y1778 VanDerWaalsContact CB-OH 3.26Å; Y1726-Y1778 WeakPolarHBondContact CB-OH 3.3Å; Y1726-Y1778 HydrophobicContact CD1-CE1 4.42Å; Y1726-Y1778 PolarHBondContact O-OH 3.28Å
1727L84.2Confident64.7Low0 Ų063.1 Ų63.10%032%0.318CS..SBendtrans-11576.1173.2-169.271.5000111R222 L223 F1722 F1723 L1729 L1779 Y1823R222-L1727 HydrophobicContact CG-CD2 4.15Å; R222-L1727 HydrophobicContact CG-CG 4.16Å; L223-L1727 HydrophobicContact CD2-CD2 3.94Å; F1722-L1727 HydrophobicContact CD1-CB 4.35Å; F1722-L1727 HydrophobicContact CE1-CB 3.85Å; F1722-L1727 HydrophobicContact CE1-CD2 3.91Å; F1722-L1727 HydrophobicContact CZ-CB 4.25Å; F1722-L1727 HydrophobicContact CZ-CD2 4.43Å; F1722-L1727 PolarHBondContact O-N 3.35Å; F1723-L1727 WeakPolarHBondContact CA-O 3.5Å; F1723-L1727 HydrophobicContact CE1-CD2 4.35Å; L1727-L1729 PolarHBondContact O-N 3.44Å; L1727-L1779 HydrophobicContact CD1-CD2 4.32Å; L1727-Y1823 HydrophobicContact CD1-CD1 3.88Å; L1727-Y1823 HydrophobicContact CD1-CD2 4.38Å; L1727-Y1823 HydrophobicContact CD1-CE1 3.62Å; L1727-Y1823 HydrophobicContact CD1-CE2 4.17Å; L1727-Y1823 HydrophobicContact CD1-CG 4.25Å; L1727-Y1823 HydrophobicContact CD2-CD1 4.22Å; L1727-Y1823 HydrophobicContact CD2-CD2 3.95Å; L1727-Y1823 HydrophobicContact CD2-CE2 4.43Å; L1727-Y1823 HydrophobicContact CD2-CG 3.82Å
1728P77.5Confident62.5Low27 Ų2764.8 Ų64.818%0.17533%0.334CS..PPolyproline II helixtrans-50.8137.7-178.3-29.334.8000113.9R222 F1723 Y1726 F1771R222-P1728 PolarHBondContact NE-O 3.16Å; F1723-P1728 WeakPolarHBondContact O-CA 3.47Å; Y1726-P1728 VanDerWaalsContact C-CD 3.43Å; Y1726-P1728 WeakPolarHBondContact O-CD 3.05Å; P1728-F1771 HydrophobicContact CG-CE1 3.97Å; P1728-F1771 HydrophobicContact CG-CZ 4.46Å
1729L70.1Confident60Low34 Ų3470 Ų7018%0.17836%0.362CS..PPolyproline II helixtrans-66.7140.8160-51.6-178.1000108.5K218 R219 R222 I1658 F1723 L1727 Q1731K218-L1729 HydrophobicContact CB-CD1 3.95Å; K218-L1729 HydrophobicContact CB-CD2 4.42Å; R219-L1729 HydrophobicContact CG-CD1 4.09Å; R219-L1729 HydrophobicContact CG-CD2 4.31Å; R222-L1729 HydrophobicContact CB-CD2 3.68Å; R222-L1729 HydrophobicContact CG-CD2 3.99Å; I1658-L1729 HydrophobicContact CD1-CD1 4.06Å; F1723-L1729 HydrophobicContact CB-CD2 4.12Å; F1723-L1729 HydrophobicContact CB-CG 4.2Å; F1723-L1729 HydrophobicContact CD1-CD2 3.82Å; F1723-L1729 HydrophobicContact CG-CD2 4.28Å; F1723-L1729 PolarHBondContact O-N 3.11Å; L1727-L1729 PolarHBondContact O-N 3.44Å; L1729-Q1731 PolarHBondContact O-N 3.37Å
1730D61.6Low57.5Low61 Ų6175.5 Ų75.533%0.32639%0.389SS..PPolyproline II helixtrans-48.6127.5-163.2-77.2-34.8000114.7Y225 P265Y225-D1730 VanDerWaalsContact OH-CG 3.25Å; Y225-D1730 PolarHBondContact OH-OD2 2.92Å; P265-D1730 WeakPolarHBondContact CG-OD2 3.48Å
1731Q50.2Low55.1Low106 Ų10679.6 Ų79.650%0.49541%0.411SS..PPolyproline II helixtrans-68.7130.6167.6-67.5176.5-400109.1L1729 T1733L1729-Q1731 PolarHBondContact O-N 3.37Å; Q1731-T1733 PolarHBondContact O-N 3.2Å
1732K42.1Very low52.7Low207 Ų20780.3 Ų80.390%0.942%0.424SS*.  trans-65.985.7161.6-72.6-175.2173.3-171.40108.4
1733T32.3Very low50.1Low82 Ų8286.8 Ų86.850%0.50346%0.459SS..  trans-79.4113.3163.150.50000107.3Q1731 S1735Q1731-T1733 PolarHBondContact O-N 3.2Å; T1733-S1735 PolarHBondContact O-N 3.23Å
1734D27.9Very low47.3Very low120 Ų12089.2 Ų89.264%0.64248%0.484SS*.  trans-49.6126.6179.7-62.6-53.1000110.9D1736D1734-D1736 PolarHBondContact O-N 3.29Å; D1734-D1736 VanDerWaalsContact O-N 3.11Å
1735S31.5Very low44.8Very low87 Ų8789.1 Ų89.161%0.60850%0.502SS*.THydrogen-bonded Turntrans-56.3-27.8-177.739.10000113.2T1733 L1737T1733-S1735 PolarHBondContact O-N 3.23Å; S1735-L1737 VanDerWaalsContact C-N 3.32Å; S1735-L1737 PolarHBondContact O-N 2.67Å
1736D29Very low42.2Very low116 Ų11688.7 Ų88.762%0.6251%0.512SS*.Hα-helixtrans-78.5-16.1-163.3-56.61.8000112.9D1734 I1740D1734-D1736 PolarHBondContact O-N 3.29Å; D1734-D1736 VanDerWaalsContact O-N 3.11Å; D1736-I1740 VanDerWaalsContact O-CD1 3.27Å; D1736-I1740 WeakPolarHBondContact O-CD1 3.38Å; D1736-I1740 VanDerWaalsContact O-CG1 3.32Å; D1736-I1740 WeakPolarHBondContact O-CG1 3.24Å
1737L31.4Very low39.7Very low112 Ų11292.4 Ų92.459%0.58654%0.543SS*.Hα-helixtrans-86.4-20.5-178.9-87.7160.8000114.3S1735 L1741S1735-L1737 VanDerWaalsContact C-N 3.32Å; S1735-L1737 PolarHBondContact O-N 2.67Å; L1737-L1741 WeakPolarHBondContact O-CG 3.49Å
1738V34.2Very low36.9Very low100 Ų10097.3 Ų97.361%0.60657%0.573SS**Hα-helixtrans-84.5-32.3-179.4-178.30000111.7I1740 S1742V1738-I1740 VanDerWaalsContact C-N 3.33Å; V1738-S1742 WeakPolarHBondContact O-CB 3.15Å; V1738-S1742 PolarHBondContact O-N 3.44Å; V1738-S1742 PolarHBondContact O-OG 3.49Å
1739D29.8Very low34.4Very low113 Ų113102.6 Ų102.660%0.60460%0.598SS**Hα-helixtrans-75.1-21.5177-73.8-12.1000113.1S1742 N1743D1739-S1742 PolarHBondContact O-OG 3.07Å; D1739-N1743 PolarHBondContact O-ND2 3.07Å; D1739-N1743 VanDerWaalsContact O-ND2 3.16Å
1740I30.6Very low32.3Very low118 Ų118109.8 Ų109.861%0.60563%0.631SS**Hα-helixtrans-80.3-36.7174.4-65.3172.6000111.4D1736 V1738D1736-I1740 VanDerWaalsContact O-CD1 3.27Å; D1736-I1740 WeakPolarHBondContact O-CD1 3.38Å; D1736-I1740 VanDerWaalsContact O-CG1 3.32Å; D1736-I1740 WeakPolarHBondContact O-CG1 3.24Å; V1738-I1740 VanDerWaalsContact C-N 3.33Å
1741L32Very low30.4Very low114 Ų114115.8 Ų115.860%0.59766%0.659SS**Hα-helixtrans-85.5-18.5-177-68.5171.9000114.1M1602 L1737M1602-L1741 HydrophobicContact CE-CB 4.22Å; M1602-L1741 HydrophobicContact CE-CD1 3.97Å; L1737-L1741 WeakPolarHBondContact O-CG 3.49Å
1742S32.7Very low29.3Very low71 Ų71116.6 Ų116.650%0.49768%0.676SS.*SBendtrans-79.7-15.9174.353.60000114V1738 D1739V1738-S1742 WeakPolarHBondContact O-CB 3.15Å; V1738-S1742 PolarHBondContact O-N 3.44Å; V1738-S1742 PolarHBondContact O-OG 3.49Å; D1739-S1742 PolarHBondContact O-OG 3.07Å
1743N29.7Very low28.6Very low137 Ų137115.2 Ų115.273%0.73367%0.673SS**SBendtrans-109.67.2-176.8-76.8-50.7000115D1739D1739-N1743 PolarHBondContact O-ND2 3.07Å; D1739-N1743 VanDerWaalsContact O-ND2 3.16Å
1744G27.7Very low28.3Very low54 Ų54119.5 Ų119.556%0.55769%0.687SS**PPolyproline II helixtrans-79.4123.8174.800000113
1745G28.2Very low28.3Very low67 Ų67121.1 Ų121.169%0.69170%0.696SS**PPolyproline II helixtrans-78.5161.2-17600000115.6S1747G1745-S1747 PolarHBondContact O-N 3.35Å
1746C23.3Very low28Very low99 Ų99122.9 Ų122.967%0.66970%0.703SS**PPolyproline II helixtrans-66.8123.1167.5-69.30000110.8
1747S26.8Very low27.8Very low116 Ų116126.2 Ų126.281%0.81172%0.715SS**  trans-140113.115459.40000109.3G1745G1745-S1747 PolarHBondContact O-N 3.35Å
1748V25.4Very low27.6Very low103 Ų103124.7 Ų124.762%0.62472%0.718SS**  trans-75159.8171.8-166.60000108.8
1749I25.7Very low27.3Very low138 Ų138124.4 Ų124.471%0.70872%0.721SS**  trans109.5129154.5-56.3175.2000117.7
1750E25.5Very low27.4Very low185 Ų185127.7 Ų127.786%0.86473%0.73SS**  trans81.4130154.9-83.4152.8-149.400124.5
1751M23.2Very low27.3Very low186 Ų186127.3 Ų127.392%0.91673%0.733SS**  trans-90.8138.4164.9-58177.2-71.300109.4
1752S26.7Very low27.3Very low123 Ų123128 Ų12886%0.8674%0.737SS**  trans-145.9147.3156.461.40000111.3
1753H26.6Very low27.2Very low179 Ų179132 Ų13283%0.82975%0.745SS**  trans-86.5170.5-170.3-82.3-92.5000113.5
1754Q26.9Very low27.1Very low171 Ų171132 Ų13280%0.79974%0.741SS**  trans73.295.8161-67.6168.35.400117.6
1755N27.4Very low27.2Very low154 Ų154135.2 Ų135.282%0.82475%0.745SS**  -170.2161.284.1-96.2-31.6000114.5
1756T25.4Very low27.3Very low125 Ų125140.3 Ų140.377%0.76775%0.748SS**  trans-88.2174.4-169.816.70000114.7
1757E25.1Very low27.4Very low186 Ų186140.6 Ų140.687%0.86974%0.743SS**SBendtrans97.654.3164.1-51.9-168.3166.200119.9
1758A27.5Very low27.4Very low79 Ų79141 Ų14165%0.65374%0.737SS**  trans-152.7-1.7151.800000115.2K1760A1758-K1760 PolarHBondContact O-N 2.83Å; A1758-K1760 VanDerWaalsContact O-N 3.07Å
1759S28Very low27.7Very low94 Ų94142.9 Ų142.966%0.65774%0.742SS**THydrogen-bonded Turntrans-87.726.6-154.154.50000117.2
1760K29.9Very low27.9Very low182 Ų182144.3 Ų144.379%0.79175%0.746SS**THydrogen-bonded Turntrans-116.3-20.4-180-80.8-171.9174.4-178.30116.7A1758A1758-K1760 PolarHBondContact O-N 2.83Å; A1758-K1760 VanDerWaalsContact O-N 3.07Å
1761T29.9Very low28.5Very low110 Ų110140.3 Ų140.368%0.67573%0.726SS**SBendtrans-104.8-13.4-175.538.90000115.2
1762L31.7Very low29.2Very low129 Ų129134.1 Ų134.168%0.67570%0.701SS**SBendtrans-93.7-5.5174.9-77.4166.9000114.1
1763K30.1Very low30.1Very low154 Ų154131.3 Ų131.367%0.6768%0.681SS**SBendtrans-87.4-10.6175.8-82-173.9170.3-175.20114.6N1767K1763-N1767 PolarHBondContact O-ND2 3.04Å
1764E27.8Very low31.2Very low139 Ų139127 Ų12765%0.6566%0.664SS**SBendtrans-100.2-17.9-173.9-64.4-176.4159.900113.4N1768E1764-N1768 PolarHBondContact O-ND2 3.49Å
1765N30Very low32.5Very low121 Ų121119.8 Ų119.865%0.64763%0.632SS**SBendtrans-91.2-19.3174.9-74.9-23.2000114
1766F29.3Very low34.1Very low173 Ų173117 Ų11776%0.75962%0.615SS**G310 helixtrans-79.9-14.9176.7-91.6-88.4000114.2
1767N25.9Very low36.1Very low105 Ų105115.8 Ų115.856%0.56160%0.601SS**G310 helixtrans-88.5-1.5-178.9-61.7-9.2000113.5K1763K1763-N1767 PolarHBondContact O-ND2 3.04Å
1768N27.7Very low38.5Very low125 Ų125107.5 Ų107.567%0.66856%0.561SS**G310 helixtrans-96.98.7-175.5-70.2-44.7000114.3E1764E1764-N1768 PolarHBondContact O-ND2 3.49Å
1769L30.9Very low41.2Very low143 Ų143104.6 Ų104.675%0.74954%0.535SS*.  trans-118.947.6165.6-83.893.4000111.2F1771L1769-F1771 PolarHBondContact O-N 3.46Å
1770E30.7Very low44Very low168 Ų168100.2 Ų100.279%0.78550%0.504SS*.  trans-68.175.6160.6-72.3-174.9154.100110.2S1772E1770-S1772 PolarHBondContact O-N 3.13Å
1771F37Very low46.9Very low101 Ų10192.9 Ų92.944%0.44347%0.472SS..  trans-58.2116.3148.8-99.3-89.9000106P1728 L1769 S1773 V1775P1728-F1771 HydrophobicContact CG-CE1 3.97Å; P1728-F1771 HydrophobicContact CG-CZ 4.46Å; L1769-F1771 PolarHBondContact O-N 3.46Å; F1771-S1773 PolarHBondContact O-N 2.84Å; F1771-V1775 HydrophobicContact CD1-CG1 4.44Å
1772S39.7Very low49.7Very low55 Ų5587.7 Ų87.739%0.38544%0.44SS..  trans-57.9138.6-170.587.30000110E1770 D1774 V1775E1770-S1772 PolarHBondContact O-N 3.13Å; S1772-D1774 VanDerWaalsContact CB-OD2 3.25Å; S1772-D1774 WeakPolarHBondContact CB-OD2 3.18Å; S1772-D1774 PolarHBondContact O-N 2.91Å; S1772-D1774 PolarHBondContact OG-OD2 3.44Å; S1772-V1775 WeakPolarHBondContact O-CB 3.2Å; S1772-V1775 PolarHBondContact O-N 3.22Å
1773S45.2Very low52.5Low64 Ų6482.6 Ų82.645%0.44841%0.414SS..Hα-helixtrans-49.3-37.4-175.4-1720000111.5F1771 V1775 M1776 E1777F1771-S1773 PolarHBondContact O-N 2.84Å; S1773-V1775 VanDerWaalsContact C-N 3.3Å; S1773-V1775 PolarHBondContact O-N 2.79Å; S1773-M1776 PolarHBondContact O-N 3.21Å; S1773-E1777 PolarHBondContact O-N 2.97Å
1774D49.2Very low55.4Low89 Ų8975.2 Ų75.248%0.47638%0.382SS..Hα-helixtrans-55.4-36.2178.4-20.1-54.7000113.4I1638 S1772 E1777 Y1778I1638-D1774 HydrophobicContact CD1-CB 4.39Å; S1772-D1774 VanDerWaalsContact CB-OD2 3.25Å; S1772-D1774 WeakPolarHBondContact CB-OD2 3.18Å; S1772-D1774 PolarHBondContact O-N 2.91Å; S1772-D1774 PolarHBondContact OG-OD2 3.44Å; D1774-E1777 PolarHBondContact O-N 2.8Å; D1774-Y1778 WeakPolarHBondContact O-CD1 3.47Å; D1774-Y1778 PolarHBondContact O-N 3.26Å; D1774-Y1778 VanDerWaalsContact O-N 3.16Å
1775V53.3Low58.5Low19 Ų1968.7 Ų68.712%0.11535%0.351CS..Hα-helixtrans-65.6-41.1-177.1175.90000111.9K1725 F1771 S1772 S1773 Y1778 L1779K1725-V1775 VanDerWaalsContact O-CG1 3.24Å; K1725-V1775 WeakPolarHBondContact O-CG1 3.34Å; F1771-V1775 HydrophobicContact CD1-CG1 4.44Å; S1772-V1775 WeakPolarHBondContact O-CB 3.2Å; S1772-V1775 PolarHBondContact O-N 3.22Å; S1773-V1775 VanDerWaalsContact C-N 3.3Å; S1773-V1775 PolarHBondContact O-N 2.79Å; V1775-Y1778 HydrophobicContact CG1-CE1 4.31Å; V1775-Y1778 WeakPolarHBondContact O-CD1 3.4Å; V1775-Y1778 WeakPolarHBondContact O-CE1 3.46Å; V1775-L1779 HydrophobicContact CG1-CD1 4.46Å; V1775-L1779 WeakPolarHBondContact O-CG 3.09Å
1776M62.5Low61.4Low95 Ų9562.9 Ų62.947%0.46832%0.32SS..Hα-helixtrans-71.5-39.6176.3-86.5-74.6-76.300111.4A1599 S1773 L1779 V1780A1599-M1776 WeakPolarHBondContact O-CE 3.39Å; S1773-M1776 PolarHBondContact O-N 3.21Å; M1776-L1779 PolarHBondContact O-N 2.81Å; M1776-V1780 WeakPolarHBondContact O-CG2 3.39Å; M1776-V1780 PolarHBondContact O-N 3.27Å
1777E66.8Low64.4Low101 Ų10154.7 Ų54.747%0.47228%0.284SS..Hα-helixtrans-64.3-46.7-174.2-169.2169.9-17900112.4T1596 S1773 D1774 L1779 V1780T1596-E1777 HydrophobicContact CG2-CG 4Å; S1773-E1777 PolarHBondContact O-N 2.97Å; D1774-E1777 PolarHBondContact O-N 2.8Å; E1777-L1779 VanDerWaalsContact C-N 3.35Å; E1777-L1779 PolarHBondContact O-N 2.85Å; E1777-V1780 VanDerWaalsContact O-CB 3.27Å; E1777-V1780 WeakPolarHBondContact O-CB 3.48Å; E1777-V1780 WeakPolarHBondContact O-CG2 3.38Å; E1777-V1780 PolarHBondContact O-N 3.04Å
1778Y76Confident67.5Low11 Ų1149.8 Ų49.84%0.04326%0.258CS..Hα-helixtrans-70.4-31.9-179.894.3-96.6000112.2L1633 I1638 Y1726 D1774 V1775 V1780 K1781 M1820L1633-Y1778 HydrophobicContact CD1-CD2 3.54Å; L1633-Y1778 HydrophobicContact CD1-CE2 4.05Å; I1638-Y1778 HydrophobicContact CD1-CD1 3.91Å; I1638-Y1778 HydrophobicContact CD1-CG 4.2Å; Y1726-Y1778 WeakPolarHBondContact CA-OH 3.38Å; Y1726-Y1778 VanDerWaalsContact CB-OH 3.26Å; Y1726-Y1778 WeakPolarHBondContact CB-OH 3.3Å; Y1726-Y1778 HydrophobicContact CD1-CE1 4.42Å; Y1726-Y1778 PolarHBondContact O-OH 3.28Å; D1774-Y1778 WeakPolarHBondContact O-CD1 3.47Å; D1774-Y1778 PolarHBondContact O-N 3.26Å; D1774-Y1778 VanDerWaalsContact O-N 3.16Å; V1775-Y1778 HydrophobicContact CG1-CE1 4.31Å; V1775-Y1778 WeakPolarHBondContact O-CD1 3.4Å; V1775-Y1778 WeakPolarHBondContact O-CE1 3.46Å; Y1778-V1780 PolarHBondContact O-N 2.96Å; Y1778-K1781 PolarHBondContact O-N 3.4Å; Y1778-M1820 HydrophobicContact CE2-CE 3.97Å
1779L84.1Confident70.5Confident18 Ų1843.9 Ų43.99%0.09423%0.226CC..Hα-helixtrans-67.8-17.2175.6-75.6177.1000113.5L1727 V1775 M1776 E1777 K1781 A1782 N1783L1727-L1779 HydrophobicContact CD1-CD2 4.32Å; V1775-L1779 HydrophobicContact CG1-CD1 4.46Å; V1775-L1779 WeakPolarHBondContact O-CG 3.09Å; M1776-L1779 PolarHBondContact O-N 2.81Å; E1777-L1779 VanDerWaalsContact C-N 3.35Å; E1777-L1779 PolarHBondContact O-N 2.85Å; L1779-K1781 PolarHBondContact O-N 3.33Å; L1779-A1782 PolarHBondContact O-N 3.16Å; L1779-A1782 VanDerWaalsContact O-N 3.15Å; L1779-N1783 WeakPolarHBondContact O-CB 3.4Å; L1779-N1783 VanDerWaalsContact O-CG 3.24Å; L1779-N1783 PolarHBondContact O-N 2.73Å; L1779-N1783 PolarHBondContact O-ND2 2.8Å
1780V85.9Confident73.3Confident3 Ų337.2 Ų37.22%0.01819%0.192CC..Hα-helixtrans-53.4-40.8173.5174.60000111.4L1595 A1599 F1604 M1776 E1777 Y1778 A1782 N1783 L1784L1595-V1780 HydrophobicContact CB-CG1 3.43Å; L1595-V1780 VanDerWaalsContact CB-CG1 3.43Å; L1595-V1780 HydrophobicContact CD1-CG1 4.11Å; L1595-V1780 HydrophobicContact CG-CG1 4.4Å; A1599-V1780 HydrophobicContact CB-CG2 4.23Å; F1604-V1780 HydrophobicContact CZ-CG2 4.26Å; M1776-V1780 WeakPolarHBondContact O-CG2 3.39Å; M1776-V1780 PolarHBondContact O-N 3.27Å; E1777-V1780 VanDerWaalsContact O-CB 3.27Å; E1777-V1780 WeakPolarHBondContact O-CB 3.48Å; E1777-V1780 WeakPolarHBondContact O-CG2 3.38Å; E1777-V1780 PolarHBondContact O-N 3.04Å; Y1778-V1780 PolarHBondContact O-N 2.96Å; V1780-A1782 PolarHBondContact O-N 3.39Å; V1780-N1783 PolarHBondContact O-N 3.47Å; V1780-L1784 WeakPolarHBondContact O-CB 3.35Å; V1780-L1784 PolarHBondContact O-N 3.39Å
1781K90.4Very high76.1Confident28 Ų2829.6 Ų29.612%0.12216%0.156CC..Hα-helixtrans-62.5-43.2179.3-62.1178.9-172.9176.90112.1F1629 T1632 L1633 D1636 Y1778 L1779 W1785F1629-K1781 HydrophobicContact CE1-CG 4.24Å; F1629-K1781 HydrophobicContact CZ-CG 4.16Å; T1632-K1781 WeakPolarHBondContact OG1-CE 3.23Å; T1632-K1781 PolarHBondContact OG1-NZ 2.88Å; L1633-K1781 HydrophobicContact CB-CB 4.19Å; L1633-K1781 HydrophobicContact CB-CD 4.07Å; D1636-K1781 IonicContact OD1-NZ 3.7Å; D1636-K1781 PolarHBondContact OD1-NZ 3.26Å; D1636-K1781 WeakPolarHBondContact OD2-CE 3.41Å; D1636-K1781 IonicContact OD2-NZ 2.77Å; D1636-K1781 PolarHBondContact OD2-NZ 3.41Å; Y1778-K1781 PolarHBondContact O-N 3.4Å; L1779-K1781 PolarHBondContact O-N 3.33Å; K1781-W1785 PolarHBondContact O-N 2.86Å; K1781-W1785 VanDerWaalsContact O-N 3.07Å
1782A89.7Confident78.3Confident0 Ų025.6 Ų25.60%014%0.142CC..Hα-helixtrans-69.8-38.5176.500000112.3L1633 L1779 V1780 W1785 H1786 Y1823 L1824L1633-A1782 HydrophobicContact CD2-CB 3.99Å; L1779-A1782 PolarHBondContact O-N 3.16Å; L1779-A1782 VanDerWaalsContact O-N 3.15Å; V1780-A1782 PolarHBondContact O-N 3.39Å; A1782-W1785 WeakPolarHBondContact O-CB 3.43Å; A1782-W1785 PolarHBondContact O-N 3.23Å; A1782-H1786 PolarHBondContact O-N 3.32Å; A1782-H1786 PolarHBondContact O-ND1 2.59Å; A1782-Y1823 HydrophobicContact CB-CE1 4.15Å; A1782-L1824 HydrophobicContact CB-CD2 3.74Å
1783N90.1Very high80.1Confident22 Ų2224.8 Ų24.812%0.11813%0.133CC..Hα-helixtrans-66.2-40.8176.9-69.6-23.8000111.8V228 L1608 L1779 V1780 H1786 S1787V228-N1783 HydrophobicContact CG2-CB 3.99Å; V228-N1783 WeakPolarHBondContact CG2-OD1 3.4Å; L1608-N1783 HydrophobicContact CD1-CB 3.97Å; L1608-N1783 HydrophobicContact CD2-CB 4.46Å; L1779-N1783 WeakPolarHBondContact O-CB 3.4Å; L1779-N1783 VanDerWaalsContact O-CG 3.24Å; L1779-N1783 PolarHBondContact O-N 2.73Å; L1779-N1783 PolarHBondContact O-ND2 2.8Å; V1780-N1783 PolarHBondContact O-N 3.47Å; N1783-H1786 PolarHBondContact O-N 3.25Å; N1783-S1787 WeakPolarHBondContact O-CB 3.31Å; N1783-S1787 PolarHBondContact O-N 3.39Å
1784L91.6Very high81.5Confident0 Ų023.2 Ų23.20%012%0.121CC..Hα-helixtrans-62.5-47.5173.1178.359000111V1591 L1595 T1611 F1629 V1780 H1786 S1787 I1788V1591-L1784 HydrophobicContact CG1-CD2 4.17Å; L1595-L1784 HydrophobicContact CD1-CB 4.25Å; L1595-L1784 HydrophobicContact CD1-CD1 4.04Å; L1595-L1784 HydrophobicContact CD1-CD2 3.96Å; L1595-L1784 HydrophobicContact CD1-CG 4.3Å; T1611-L1784 HydrophobicContact CG2-CD1 3.88Å; F1629-L1784 HydrophobicContact CD1-CD2 4.11Å; F1629-L1784 HydrophobicContact CE1-CD2 4.09Å; V1780-L1784 WeakPolarHBondContact O-CB 3.35Å; V1780-L1784 PolarHBondContact O-N 3.39Å; L1784-H1786 PolarHBondContact O-N 2.86Å; L1784-S1787 PolarHBondContact O-N 2.93Å; L1784-S1787 VanDerWaalsContact O-N 3.11Å; L1784-I1788 HydrophobicContact CD1-CD1 4.04Å; L1784-I1788 HydrophobicContact CD1-CG1 4.11Å; L1784-I1788 HydrophobicContact CG-CD1 3.98Å; L1784-I1788 HydrophobicContact CG-CG1 4.48Å; L1784-I1788 WeakPolarHBondContact O-CG1 3.28Å; L1784-I1788 PolarHBondContact O-N 3.39Å
1785W92.3Very high82.6Confident1 Ų120 Ų200%0.00411%0.106CC..Hα-helixtrans-51.8-54.2174174.6-89.9000111.6F1627 C1630 V1631 K1781 A1782 S1787 I1788 W1789 L1800 I1803 I1808 L1824F1627-W1785 HydrophobicContact CB-CZ3 4.47Å; F1627-W1785 HydrophobicContact CD1-CE3 4.12Å; F1627-W1785 AromaticContact CD1-CZ3 3.94Å; F1627-W1785 HydrophobicContact CD1-CZ3 3.94Å; F1627-W1785 HydrophobicContact CG-CZ3 4.44Å; C1630-W1785 HydrophobicContact CB-CB 4.15Å; C1630-W1785 HydrophobicContact CB-CE3 3.94Å; V1631-W1785 HydrophobicContact CG2-CZ3 4.43Å; K1781-W1785 PolarHBondContact O-N 2.86Å; K1781-W1785 VanDerWaalsContact O-N 3.07Å; A1782-W1785 WeakPolarHBondContact O-CB 3.43Å; A1782-W1785 PolarHBondContact O-N 3.23Å; W1785-S1787 VanDerWaalsContact C-N 3.3Å; W1785-S1787 PolarHBondContact O-N 3.4Å; W1785-I1788 PolarHBondContact O-N 2.65Å; W1785-W1789 AromaticContact CD1-CD1 3.71Å; W1785-W1789 AromaticContact CD2-CD1 3.57Å; W1785-W1789 AromaticContact CD2-NE1 3.41Å; W1785-W1789 AromaticContact CE2-CD1 3.38Å; W1785-W1789 AromaticContact CE2-NE1 3.12Å; W1785-W1789 AromaticContact CE3-NE1 3.66Å; W1785-W1789 AromaticContact CG-CD1 3.81Å; W1785-W1789 HydrophobicContact CH2-CZ2 4.27Å; W1785-W1789 AromaticContact CH2-NE1 3.45Å; W1785-W1789 AromaticContact CZ2-CD1 3.89Å; W1785-W1789 AromaticContact CZ2-CE2 3.99Å; W1785-W1789 HydrophobicContact CZ2-CZ2 4.42Å; W1785-W1789 AromaticContact CZ2-NE1 3.16Å; W1785-W1789 AromaticContact CZ3-NE1 3.68Å; W1785-W1789 AromaticContact NE1-CD1 3.43Å; W1785-W1789 AromaticContact NE1-NE1 3.68Å; W1785-W1789 PolarHBondContact O-N 3.29Å; W1785-L1800 HydrophobicContact CH2-CD1 4.49Å; W1785-L1800 HydrophobicContact CZ2-CD1 4.01Å; W1785-I1803 HydrophobicContact CH2-CG2 3.93Å; W1785-I1803 HydrophobicContact CZ3-CG2 4.42Å; W1785-I1808 HydrophobicContact CH2-CD1 4.16Å; W1785-I1808 HydrophobicContact CZ2-CD1 4.24Å; W1785-L1824 HydrophobicContact CB-CD2 4.36Å; W1785-L1824 HydrophobicContact CG-CD2 4.1Å; W1785-L1824 PolarHBondContact NE1-O 3.44Å
1786H92.1Very high83.9Confident0 Ų020.2 Ų20.20%011%0.105CC..Hα-helixtrans-63.1-33.1178.3-73143.7000113.3S226 Y229 A1782 N1783 L1784 A1790 Y1823 L1824S226-H1786 WeakPolarHBondContact CB-ND1 3.05Å; S226-H1786 PolarHBondContact OG-ND1 3.48Å; Y229-H1786 WeakPolarHBondContact CD2-O 3.41Å; A1782-H1786 PolarHBondContact O-N 3.32Å; A1782-H1786 PolarHBondContact O-ND1 2.59Å; N1783-H1786 PolarHBondContact O-N 3.25Å; L1784-H1786 PolarHBondContact O-N 2.86Å; H1786-A1790 WeakPolarHBondContact O-CB 3.23Å; H1786-A1790 PolarHBondContact O-N 3.44Å; H1786-A1790 VanDerWaalsContact O-N 3.07Å; H1786-Y1823 AromaticContact CE1-CD1 3.98Å; H1786-Y1823 AromaticContact CE1-CE1 3.61Å; H1786-Y1823 AromaticContact CE1-CE2 3.79Å; H1786-Y1823 AromaticContact CE1-CZ 3.52Å; H1786-Y1823 PolarHBondContact CE1-O 3.02Å; H1786-Y1823 VanDerWaalsContact CE1-O 3.27Å; H1786-Y1823 AromaticContact ND1-CZ 3.89Å; H1786-Y1823 PolarHBondContact NE2-O 3.2Å; H1786-L1824 PolarHBondContact NE2-O 3.4Å
1787S91.1Very high84.8Confident0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-68.7-42.7176.4-170.80000112.7M232 L1608 N1783 L1784 W1785 A1790 H1791M232-S1787 PolarHBondContact SD-OG 3.34Å; L1608-S1787 VanDerWaalsContact C-OG 3.27Å; L1608-S1787 PolarHBondContact O-OG 3.05Å; N1783-S1787 WeakPolarHBondContact O-CB 3.31Å; N1783-S1787 PolarHBondContact O-N 3.39Å; L1784-S1787 PolarHBondContact O-N 2.93Å; L1784-S1787 VanDerWaalsContact O-N 3.11Å; W1785-S1787 VanDerWaalsContact C-N 3.3Å; W1785-S1787 PolarHBondContact O-N 3.4Å; S1787-A1790 PolarHBondContact O-N 3.1Å; S1787-H1791 PolarHBondContact O-CD2 3.21Å
1788I92.2Very high85.5Confident2 Ų211.3 Ų11.31%0.016%0.063CC..Hα-helixtrans-61.2-48.8175.2-60.6167.3000109.7A1615 V1616 L1626 F1627 L1784 W1785 A1790 H1791 A1792A1615-I1788 HydrophobicContact CB-CD1 4.15Å; A1615-I1788 HydrophobicContact CB-CG1 3.85Å; A1615-I1788 HydrophobicContact CB-CG2 4.42Å; V1616-I1788 HydrophobicContact CG2-CG2 3.97Å; V1616-I1788 VanDerWaalsContact CG2-O 3.31Å; V1616-I1788 WeakPolarHBondContact CG2-O 3.29Å; L1626-I1788 HydrophobicContact CB-CD1 4.4Å; F1627-I1788 HydrophobicContact CE1-CB 4.45Å; F1627-I1788 HydrophobicContact CE1-CD1 4.4Å; F1627-I1788 HydrophobicContact CE1-CG2 3.72Å; F1627-I1788 HydrophobicContact CZ-CG2 4.12Å; L1784-I1788 HydrophobicContact CD1-CD1 4.04Å; L1784-I1788 HydrophobicContact CD1-CG1 4.11Å; L1784-I1788 HydrophobicContact CG-CD1 3.98Å; L1784-I1788 HydrophobicContact CG-CG1 4.48Å; L1784-I1788 WeakPolarHBondContact O-CG1 3.28Å; L1784-I1788 PolarHBondContact O-N 3.39Å; W1785-I1788 PolarHBondContact O-N 2.65Å; I1788-A1790 VanDerWaalsContact C-N 3.25Å; I1788-A1790 PolarHBondContact O-N 3.46Å; I1788-H1791 PolarHBondContact O-N 3.28Å; I1788-A1792 PolarHBondContact O-N 3.4Å
1789W90.9Very high85.9Confident2 Ų213.3 Ų13.31%0.0088%0.079CC..Hα-helixtrans-69.4-16.4-178.6-73112.6000114.6Y229 F1627 W1785 H1791 A1792 H1796 L1797 L1800 I1803 L1828Y229-W1789 HydrophobicContact CE2-CB 4.41Å; Y229-W1789 WeakPolarHBondContact CE2-O 3.33Å; F1627-W1789 HydrophobicContact CE1-CZ2 4.19Å; F1627-W1789 AromaticContact CE1-NE1 3.96Å; F1627-W1789 HydrophobicContact CZ-CZ2 4.03Å; W1785-W1789 AromaticContact CD1-CD1 3.71Å; W1785-W1789 AromaticContact CD2-CD1 3.57Å; W1785-W1789 AromaticContact CD2-NE1 3.41Å; W1785-W1789 AromaticContact CE2-CD1 3.38Å; W1785-W1789 AromaticContact CE2-NE1 3.12Å; W1785-W1789 AromaticContact CE3-NE1 3.66Å; W1785-W1789 AromaticContact CG-CD1 3.81Å; W1785-W1789 HydrophobicContact CH2-CZ2 4.27Å; W1785-W1789 AromaticContact CH2-NE1 3.45Å; W1785-W1789 AromaticContact CZ2-CD1 3.89Å; W1785-W1789 AromaticContact CZ2-CE2 3.99Å; W1785-W1789 HydrophobicContact CZ2-CZ2 4.42Å; W1785-W1789 AromaticContact CZ2-NE1 3.16Å; W1785-W1789 AromaticContact CZ3-NE1 3.68Å; W1785-W1789 AromaticContact NE1-CD1 3.43Å; W1785-W1789 AromaticContact NE1-NE1 3.68Å; W1785-W1789 PolarHBondContact O-N 3.29Å; W1789-H1791 VanDerWaalsContact C-N 3.35Å; W1789-A1792 HydrophobicContact CE3-CB 3.64Å; W1789-A1792 HydrophobicContact CZ3-CB 4.16Å; W1789-H1796 WeakPolarHBondContact CH2-O 3.3Å; W1789-H1796 HydrophobicContact CZ3-CB 4.22Å; W1789-H1796 VanDerWaalsContact CZ3-O 3.32Å; W1789-H1796 WeakPolarHBondContact CZ3-O 3.36Å; W1789-L1797 HydrophobicContact CE3-CD2 3.82Å; W1789-L1797 HydrophobicContact CZ3-CD2 4.06Å; W1789-L1800 HydrophobicContact CH2-CB 4.06Å; W1789-L1800 HydrophobicContact CH2-CD1 4.06Å; W1789-L1800 HydrophobicContact CZ2-CD1 3.71Å; W1789-L1800 HydrophobicContact CZ3-CB 4.47Å; W1789-I1803 HydrophobicContact CH2-CD1 4.09Å; W1789-I1803 HydrophobicContact CZ2-CD1 4.03Å; W1789-L1828 HydrophobicContact CB-CD1 3.92Å; W1789-L1828 HydrophobicContact CB-CD2 3.61Å; W1789-L1828 HydrophobicContact CB-CG 4.44Å; W1789-L1828 HydrophobicContact CD2-CD1 3.93Å; W1789-L1828 HydrophobicContact CE3-CD1 4.46Å; W1789-L1828 HydrophobicContact CG-CD1 3.66Å; W1789-L1828 HydrophobicContact CG-CD2 4.3Å
1790A89Confident86.2Confident2 Ų212.5 Ų12.52%0.0177%0.074CC..Hα-helixtrans-75.9-21.6173.500000113.5Y229 M232 N245 Y246 H1786 S1787 I1788Y229-A1790 HydrophobicContact CD2-CB 3.8Å; Y229-A1790 HydrophobicContact CE2-CB 4Å; M232-A1790 HydrophobicContact CB-CB 3.94Å; M232-A1790 HydrophobicContact CG-CB 3.63Å; N245-A1790 PolarHBondContact ND2-O 3.3Å; Y246-A1790 WeakPolarHBondContact CE2-O 3.36Å; Y246-A1790 PolarHBondContact OH-O 3.39Å; Y246-A1790 VanDerWaalsContact OH-O 3.06Å; H1786-A1790 WeakPolarHBondContact O-CB 3.23Å; H1786-A1790 PolarHBondContact O-N 3.44Å; H1786-A1790 VanDerWaalsContact O-N 3.07Å; S1787-A1790 PolarHBondContact O-N 3.1Å; I1788-A1790 VanDerWaalsContact C-N 3.25Å; I1788-A1790 PolarHBondContact O-N 3.46Å
1791H88.8Confident86.4Confident9 Ų913 Ų134%0.0428%0.078CC..Hα-helixtrans-102.9-9.1174.6-68.7-73.3000113.3F235 N1609 A1613 V1616 S1787 I1788 W1789F235-H1791 AromaticContact CD2-CE1 3.84Å; F235-H1791 AromaticContact CE2-CE1 3.9Å; N1609-H1791 PolarHBondContact O-NE2 3.17Å; N1609-H1791 PolarHBondContact OD1-CE1 3.47Å; N1609-H1791 PolarHBondContact OD1-NE2 3.25Å; A1613-H1791 PolarHBondContact N-CD2 3.47Å; V1616-H1791 HydrophobicContact CB-CB 4.28Å; V1616-H1791 HydrophobicContact CG2-CB 3.86Å; S1787-H1791 PolarHBondContact O-CD2 3.21Å; I1788-H1791 PolarHBondContact O-N 3.28Å; W1789-H1791 VanDerWaalsContact C-N 3.35Å
1792A84.4Confident86.3Confident17 Ų1713.2 Ų13.214%0.149%0.088CC..  trans-57.1137.1-179.600000112.7I1788 W1789 H1796 L1797I1788-A1792 PolarHBondContact O-N 3.4Å; W1789-A1792 HydrophobicContact CE3-CB 3.64Å; W1789-A1792 HydrophobicContact CZ3-CB 4.16Å; A1792-H1796 HydrophobicContact CB-CB 3.83Å; A1792-L1797 HydrophobicContact CB-CG 4.48Å
1793N76.3Confident86.3Confident37 Ų3714.3 Ų14.320%0.1989%0.094CC..  trans-83.2178.1174.669.514.2000111.5F998 S1795 H1796 L1797F998-N1793 PolarHBondContact O-ND2 3.03Å; N1793-S1795 VanDerWaalsContact C-N 3.31Å; N1793-S1795 PolarHBondContact ND2-OG 3.05Å; N1793-S1795 PolarHBondContact O-N 2.99Å; N1793-S1795 PolarHBondContact OD1-N 3.5Å; N1793-S1795 PolarHBondContact OD1-OG 3.33Å; N1793-H1796 PolarHBondContact N-ND1 3.16Å; N1793-H1796 PolarHBondContact O-N 3.2Å; N1793-H1796 WeakPolarHBondContact OD1-CB 3.27Å; N1793-H1796 PolarHBondContact OD1-CD2 3.45Å; N1793-H1796 PolarHBondContact OD1-N 2.87Å; N1793-H1796 PolarHBondContact OD1-ND1 3.33Å; N1793-L1797 PolarHBondContact O-N 3.45Å
1794T74.3Confident86.4Confident31 Ų3113.3 Ų13.319%0.199%0.088CC..Hα-helixtrans-60.1-34.9-178.2-51.40000114.1A1798 E1835 R1836T1794-A1798 WeakPolarHBondContact O-CB 3.47Å; T1794-A1798 PolarHBondContact O-N 3.46Å; T1794-E1835 VanDerWaalsContact CA-OE2 3.25Å; T1794-E1835 WeakPolarHBondContact CA-OE2 3.38Å; T1794-E1835 VanDerWaalsContact CB-OE2 3.22Å; T1794-E1835 WeakPolarHBondContact CB-OE2 3.5Å; T1794-E1835 HydrophobicContact CG2-CB 3.91Å; T1794-E1835 WeakPolarHBondContact CG2-OE2 3.41Å; T1794-E1835 PolarHBondContact OG1-OE1 3.05Å; T1794-E1835 PolarHBondContact OG1-OE2 3.45Å; T1794-R1836 HydrophobicContact CG2-CG 4.02Å
1795S72.1Confident86.5Confident23 Ų2315.4 Ų15.416%0.16110%0.103CC..Hα-helixtrans-75.1-39.4179.237.60000111.8D999 N1793 L1797 A1798 S1799D999-S1795 WeakPolarHBondContact O-CB 3.46Å; D999-S1795 PolarHBondContact O-OG 3.41Å; N1793-S1795 VanDerWaalsContact C-N 3.31Å; N1793-S1795 PolarHBondContact ND2-OG 3.05Å; N1793-S1795 PolarHBondContact O-N 2.99Å; N1793-S1795 PolarHBondContact OD1-N 3.5Å; N1793-S1795 PolarHBondContact OD1-OG 3.33Å; S1795-L1797 VanDerWaalsContact C-N 3.34Å; S1795-L1797 PolarHBondContact O-N 3.3Å; S1795-A1798 PolarHBondContact O-N 3.02Å; S1795-S1799 PolarHBondContact O-N 3.14Å
1796H81.1Confident86.3Confident23 Ų2320.8 Ų20.811%0.10613%0.132CC..Hα-helixtrans-56.4-49.8168.4-60.8160.4000110.1D999 V1616 R1623 W1789 A1792 N1793 A1798 S1799D999-H1796 WeakPolarHBondContact CB-NE2 3.37Å; D999-H1796 IonicContact OD1-NE2 3.71Å; D999-H1796 IonicContact OD2-CD2 2.79Å; D999-H1796 IonicContact OD2-CE1 3.86Å; D999-H1796 CovalentContact OD2-NE2 1.78Å; D999-H1796 IonicContact OD2-NE2 2.82Å; D999-H1796 PolarHBondContact OD2-NE2 2.75Å; V1616-H1796 WeakPolarHBondContact CG1-CE1 3.46Å; V1616-H1796 PolarHBondContact O-CE1 2.6Å; R1623-H1796 PolarHBondContact NH1-NE2 2.81Å; R1623-H1796 PolarHBondContact NH2-NE2 2.83Å; R1623-H1796 VanDerWaalsContact NH2-NE2 3.16Å; W1789-H1796 WeakPolarHBondContact CH2-O 3.3Å; W1789-H1796 HydrophobicContact CZ3-CB 4.22Å; W1789-H1796 VanDerWaalsContact CZ3-O 3.32Å; W1789-H1796 WeakPolarHBondContact CZ3-O 3.36Å; A1792-H1796 HydrophobicContact CB-CB 3.83Å; N1793-H1796 PolarHBondContact N-ND1 3.16Å; N1793-H1796 PolarHBondContact O-N 3.2Å; N1793-H1796 WeakPolarHBondContact OD1-CB 3.27Å; N1793-H1796 PolarHBondContact OD1-CD2 3.45Å; N1793-H1796 PolarHBondContact OD1-N 2.87Å; N1793-H1796 PolarHBondContact OD1-ND1 3.33Å; H1796-A1798 VanDerWaalsContact C-N 3.28Å; H1796-A1798 PolarHBondContact O-N 3.3Å; H1796-S1799 WeakPolarHBondContact O-CB 3.41Å; H1796-S1799 PolarHBondContact O-N 2.78Å; H1796-S1799 VanDerWaalsContact O-N 3.09Å; H1796-S1799 PolarHBondContact O-OG 3.17Å
1797L82.8Confident86.3Confident5 Ų522.3 Ų22.33%0.02614%0.14CC..Hα-helixtrans-60.1-34.5177.8-73.3171.5000113.1W1789 A1792 N1793 S1795 S1799 L1800 L1832W1789-L1797 HydrophobicContact CE3-CD2 3.82Å; W1789-L1797 HydrophobicContact CZ3-CD2 4.06Å; A1792-L1797 HydrophobicContact CB-CG 4.48Å; N1793-L1797 PolarHBondContact O-N 3.45Å; S1795-L1797 VanDerWaalsContact C-N 3.34Å; S1795-L1797 PolarHBondContact O-N 3.3Å; L1797-S1799 PolarHBondContact O-N 3.36Å; L1797-L1800 VanDerWaalsContact O-CB 3.27Å; L1797-L1800 WeakPolarHBondContact O-CB 3.38Å; L1797-L1800 PolarHBondContact O-N 3.42Å; L1797-L1832 HydrophobicContact CB-CD1 4.17Å; L1797-L1832 WeakPolarHBondContact O-CD1 3.36Å
1798A80.8Confident86.4Confident4 Ų422.3 Ų22.33%0.03314%0.14CC..Hα-helixtrans-67.7-20.917700000114.3E1002 T1794 S1795 H1796 P1801 R1836 K1839E1002-A1798 WeakPolarHBondContact OE2-CB 3.41Å; T1794-A1798 WeakPolarHBondContact O-CB 3.47Å; T1794-A1798 PolarHBondContact O-N 3.46Å; S1795-A1798 PolarHBondContact O-N 3.02Å; H1796-A1798 VanDerWaalsContact C-N 3.28Å; H1796-A1798 PolarHBondContact O-N 3.3Å; A1798-P1801 WeakPolarHBondContact O-CD 3.44Å; A1798-R1836 HydrophobicContact CB-CG 4.38Å; A1798-K1839 HydrophobicContact CB-CG 4.41Å; A1798-K1839 PolarHBondContact O-NZ 3.24Å
1799S85Confident86.4Confident52 Ų5223.6 Ų23.636%0.36415%0.147SC..Hα-helixtrans-82.1-15.9175.574.30000114S1795 H1796 L1797 P1801 G1802 I1803S1795-S1799 PolarHBondContact O-N 3.14Å; H1796-S1799 WeakPolarHBondContact O-CB 3.41Å; H1796-S1799 PolarHBondContact O-N 2.78Å; H1796-S1799 VanDerWaalsContact O-N 3.09Å; H1796-S1799 PolarHBondContact O-OG 3.17Å; L1797-S1799 PolarHBondContact O-N 3.36Å; S1799-P1801 VanDerWaalsContact C-CD 3.42Å; S1799-G1802 PolarHBondContact O-N 3.29Å; S1799-G1802 VanDerWaalsContact O-N 3.08Å; S1799-I1803 PolarHBondContact O-N 2.92Å; S1799-I1803 WeakPolarHBondContact OG-CD1 3.45Å
1800L89.9Confident86.5Confident1 Ų126.5 Ų26.51%0.00517%0.166CC..Hα-helixtrans-52.6-40.3-175-178.564.8000115W1785 W1789 L1797 G1802 I1803 F1804 L1828 L1843W1785-L1800 HydrophobicContact CH2-CD1 4.49Å; W1785-L1800 HydrophobicContact CZ2-CD1 4.01Å; W1789-L1800 HydrophobicContact CH2-CB 4.06Å; W1789-L1800 HydrophobicContact CH2-CD1 4.06Å; W1789-L1800 HydrophobicContact CZ2-CD1 3.71Å; W1789-L1800 HydrophobicContact CZ3-CB 4.47Å; L1797-L1800 VanDerWaalsContact O-CB 3.27Å; L1797-L1800 WeakPolarHBondContact O-CB 3.38Å; L1797-L1800 PolarHBondContact O-N 3.42Å; L1800-G1802 PolarHBondContact O-N 3.36Å; L1800-I1803 PolarHBondContact O-N 3.34Å; L1800-F1804 WeakPolarHBondContact O-CB 3.29Å; L1800-F1804 PolarHBondContact O-N 3.37Å; L1800-L1828 HydrophobicContact CD1-CD1 4.09Å; L1800-L1828 HydrophobicContact CD2-CB 4Å; L1800-L1828 HydrophobicContact CD2-CD1 3.74Å; L1800-L1843 HydrophobicContact CD2-CD2 3.94Å; L1800-L1843 HydrophobicContact CG-CD1 4.42Å; L1800-L1843 HydrophobicContact CG-CD2 4.45Å
1801P89.8Confident86.6Confident14 Ų1429 Ų299%0.09118%0.177CC..Hα-helixtrans-65-38.4178.1-18.331.1000113A1798 S1799 F1804 S1805 K1839 D1842 L1843A1798-P1801 WeakPolarHBondContact O-CD 3.44Å; S1799-P1801 VanDerWaalsContact C-CD 3.42Å; P1801-F1804 PolarHBondContact O-N 3.23Å; P1801-S1805 PolarHBondContact O-N 3.07Å; P1801-K1839 HydrophobicContact CG-CB 4.08Å; P1801-K1839 HydrophobicContact CG-CD 4.47Å; P1801-K1839 WeakPolarHBondContact CG-O 3.45Å; P1801-D1842 HydrophobicContact CB-CB 4.28Å; P1801-L1843 HydrophobicContact CB-CB 4.42Å; P1801-L1843 HydrophobicContact CG-CB 4.22Å
1802G87.9Confident86.7Confident33 Ų3328.6 Ų28.634%0.3418%0.175SC..Hα-helixtrans-66.6-48.9175.100000111.2S1799 L1800 F1804 S1805 D1806S1799-G1802 PolarHBondContact O-N 3.29Å; S1799-G1802 VanDerWaalsContact O-N 3.08Å; L1800-G1802 PolarHBondContact O-N 3.36Å; G1802-F1804 PolarHBondContact O-N 3.34Å; G1802-S1805 WeakPolarHBondContact O-CB 3.33Å; G1802-S1805 PolarHBondContact O-N 3.23Å; G1802-S1805 VanDerWaalsContact O-N 3.09Å; G1802-D1806 WeakPolarHBondContact O-CB 3.4Å; G1802-D1806 PolarHBondContact O-N 3.31Å
1803I89.9Confident87Confident23 Ų2335.5 Ų35.512%0.11820%0.197CC..Hα-helixtrans-56.6-37.6175.6-63.3174000111.5F1627 W1785 W1789 S1799 L1800 L1807F1627-I1803 HydrophobicContact CD2-CD1 4.36Å; F1627-I1803 HydrophobicContact CE2-CD1 4.13Å; W1785-I1803 HydrophobicContact CH2-CG2 3.93Å; W1785-I1803 HydrophobicContact CZ3-CG2 4.42Å; W1789-I1803 HydrophobicContact CH2-CD1 4.09Å; W1789-I1803 HydrophobicContact CZ2-CD1 4.03Å; S1799-I1803 PolarHBondContact O-N 2.92Å; S1799-I1803 WeakPolarHBondContact OG-CD1 3.45Å; L1800-I1803 PolarHBondContact O-N 3.34Å; I1803-L1807 HydrophobicContact CG2-CD1 3.95Å; I1803-L1807 HydrophobicContact CG2-CG 4.43Å; I1803-L1807 WeakPolarHBondContact O-CB 3.47Å; I1803-L1807 PolarHBondContact O-N 2.91Å
1804F93Very high87.6Confident1 Ų134.8 Ų34.80%0.00419%0.194CC..Iπ-helixtrans-67.6-46.9175.3-175.1-87.6000112.6L1800 P1801 G1802 D1806 I1808 L1809 A1821 V1825 L1843 E1846 L1847 A1850L1800-F1804 WeakPolarHBondContact O-CB 3.29Å; L1800-F1804 PolarHBondContact O-N 3.37Å; P1801-F1804 PolarHBondContact O-N 3.23Å; G1802-F1804 PolarHBondContact O-N 3.34Å; F1804-D1806 VanDerWaalsContact C-N 3.34Å; F1804-D1806 PolarHBondContact O-N 3.15Å; F1804-I1808 HydrophobicContact CD2-CB 3.93Å; F1804-I1808 HydrophobicContact CD2-CD1 3.91Å; F1804-I1808 HydrophobicContact CD2-CG1 4.46Å; F1804-I1808 HydrophobicContact CD2-CG2 3.95Å; F1804-I1808 HydrophobicContact CE2-CB 4.15Å; F1804-I1808 HydrophobicContact CE2-CD1 4.48Å; F1804-I1808 HydrophobicContact CE2-CG2 3.65Å; F1804-I1808 HydrophobicContact CG-CB 4.38Å; F1804-I1808 HydrophobicContact CZ-CG2 4.19Å; F1804-I1808 WeakPolarHBondContact O-CB 3.47Å; F1804-I1808 PolarHBondContact O-N 2.98Å; F1804-I1808 VanDerWaalsContact O-N 3.08Å; F1804-L1809 HydrophobicContact CD1-CB 4.49Å; F1804-L1809 HydrophobicContact CE1-CB 4.3Å; F1804-L1809 HydrophobicContact CE1-CD1 4.45Å; F1804-L1809 PolarHBondContact O-N 3.18Å; F1804-A1821 HydrophobicContact CE2-CB 4.26Å; F1804-V1825 HydrophobicContact CD2-CG2 3.61Å; F1804-V1825 HydrophobicContact CE2-CG2 3.83Å; F1804-L1843 HydrophobicContact CB-CD1 4.18Å; F1804-L1843 HydrophobicContact CG-CD1 4.32Å; F1804-E1846 HydrophobicContact CD1-CB 3.61Å; F1804-E1846 HydrophobicContact CD1-CG 4.3Å; F1804-E1846 HydrophobicContact CE1-CB 3.75Å; F1804-L1847 HydrophobicContact CE2-CD2 4.08Å; F1804-L1847 HydrophobicContact CZ-CD2 3.86Å; F1804-A1850 HydrophobicContact CZ-CB 4.3Å
1805S92.3Very high88.4Confident44 Ų4433.6 Ų33.631%0.30819%0.187SC..Iπ-helixtrans-57.6-45.5175.5164.90000112.1P1801 G1802 P1810P1801-S1805 PolarHBondContact O-N 3.07Å; G1802-S1805 WeakPolarHBondContact O-CB 3.33Å; G1802-S1805 PolarHBondContact O-N 3.23Å; G1802-S1805 VanDerWaalsContact O-N 3.09Å; S1805-P1810 WeakPolarHBondContact O-CD 3.32Å
1806D89.7Confident89.3Confident114 Ų11432.6 Ų32.661%0.6118%0.18SC*.Iπ-helixtrans-88.1-32.7-166.7-58.6-14.5000112.6G1802 F1804G1802-D1806 WeakPolarHBondContact O-CB 3.4Å; G1802-D1806 PolarHBondContact O-N 3.31Å; F1804-D1806 VanDerWaalsContact C-N 3.34Å; F1804-D1806 PolarHBondContact O-N 3.15Å
1807L91.2Very high89.8Confident31 Ų3131.7 Ų31.716%0.16218%0.176CC..Iπ-helixtrans-108.6-37.4-176-54.7-173.2000114.1F1624 F1627 V1631 I1803F1624-L1807 HydrophobicContact CE2-CD1 4.26Å; F1624-L1807 HydrophobicContact CE2-CD2 4.48Å; F1624-L1807 HydrophobicContact CZ-CD2 4.19Å; F1627-L1807 HydrophobicContact CB-CD1 4.43Å; V1631-L1807 HydrophobicContact CG1-CB 4.11Å; V1631-L1807 VanDerWaalsContact CG1-O 3.26Å; V1631-L1807 WeakPolarHBondContact CG1-O 3.43Å; V1631-L1807 HydrophobicContact CG2-CB 3.98Å; V1631-L1807 HydrophobicContact CG2-CD1 4.29Å; I1803-L1807 HydrophobicContact CG2-CD1 3.95Å; I1803-L1807 HydrophobicContact CG2-CG 4.43Å; I1803-L1807 WeakPolarHBondContact O-CB 3.47Å; I1803-L1807 PolarHBondContact O-N 2.91Å
1808I93.1Very high90.4Very high0 Ų031.6 Ų31.60%018%0.176CC..Iπ-helixtrans-96.5-52-170.3-63177.6000111.5V1631 F1634 W1785 F1804 P1810 E1811 L1812 A1821 L1824V1631-I1808 HydrophobicContact CG2-CG1 4.04Å; F1634-I1808 HydrophobicContact CD2-CG2 4.5Å; F1634-I1808 HydrophobicContact CE1-CG2 4.32Å; F1634-I1808 HydrophobicContact CE2-CB 4.33Å; F1634-I1808 HydrophobicContact CE2-CD1 4.25Å; F1634-I1808 HydrophobicContact CE2-CG1 3.89Å; F1634-I1808 HydrophobicContact CE2-CG2 3.77Å; F1634-I1808 HydrophobicContact CZ-CG2 3.67Å; W1785-I1808 HydrophobicContact CH2-CD1 4.16Å; W1785-I1808 HydrophobicContact CZ2-CD1 4.24Å; F1804-I1808 HydrophobicContact CD2-CB 3.93Å; F1804-I1808 HydrophobicContact CD2-CD1 3.91Å; F1804-I1808 HydrophobicContact CD2-CG1 4.46Å; F1804-I1808 HydrophobicContact CD2-CG2 3.95Å; F1804-I1808 HydrophobicContact CE2-CB 4.15Å; F1804-I1808 HydrophobicContact CE2-CD1 4.48Å; F1804-I1808 HydrophobicContact CE2-CG2 3.65Å; F1804-I1808 HydrophobicContact CG-CB 4.38Å; F1804-I1808 HydrophobicContact CZ-CG2 4.19Å; F1804-I1808 WeakPolarHBondContact O-CB 3.47Å; F1804-I1808 PolarHBondContact O-N 2.98Å; F1804-I1808 VanDerWaalsContact O-N 3.08Å; I1808-P1810 VanDerWaalsContact C-N 3.34Å; I1808-E1811 PolarHBondContact O-N 3.24Å; I1808-L1812 HydrophobicContact CG2-CD1 4.49Å; I1808-L1812 HydrophobicContact CG2-CD2 4.18Å; I1808-L1812 WeakPolarHBondContact O-CG 3.17Å; I1808-A1821 HydrophobicContact CG2-CB 3.96Å; I1808-L1824 HydrophobicContact CD1-CD1 4.45Å
1809L92.8Very high91Very high30 Ų3031.4 Ų31.416%0.15717%0.174CC..THydrogen-bonded Turntrans-54.2-38-176.7-175.767.3000114.2F1804 E1811 E1846 A1850 K1853F1804-L1809 HydrophobicContact CD1-CB 4.49Å; F1804-L1809 HydrophobicContact CE1-CB 4.3Å; F1804-L1809 HydrophobicContact CE1-CD1 4.45Å; F1804-L1809 PolarHBondContact O-N 3.18Å; L1809-E1811 VanDerWaalsContact C-N 3.33Å; L1809-E1811 PolarHBondContact O-N 3.4Å; L1809-E1846 WeakPolarHBondContact CD2-OE2 3.4Å; L1809-A1850 HydrophobicContact CD1-CB 3.9Å; L1809-K1853 PolarHBondContact O-NZ 3.14Å
1810P92.3Very high91.4Very high63 Ų6329 Ų2941%0.40916%0.157SC..THydrogen-bonded Turntrans-62.9-36.2-179.6-24.637.3000113.4S1805 I1808 K1853S1805-P1810 WeakPolarHBondContact O-CD 3.32Å; I1808-P1810 VanDerWaalsContact C-N 3.34Å; P1810-K1853 VanDerWaalsContact C-NZ 3.29Å; P1810-K1853 PolarHBondContact O-NZ 3.2Å
1811E90.8Very high91.6Very high55 Ų5529 Ų2926%0.25716%0.157SC..THydrogen-bonded Turntrans-77.6-22-172.7-57.5-59150.300113.8F1634 N1635 I1808 L1809 R1813F1634-E1811 HydrophobicContact CB-CB 3.85Å; F1634-E1811 HydrophobicContact CB-CG 4.45Å; F1634-E1811 HydrophobicContact CG-CB 4.48Å; N1635-E1811 PolarHBondContact ND2-OE2 3.33Å; N1635-E1811 PolarHBondContact OD1-OE2 3.26Å; I1808-E1811 PolarHBondContact O-N 3.24Å; L1809-E1811 VanDerWaalsContact C-N 3.33Å; L1809-E1811 PolarHBondContact O-N 3.4Å; E1811-R1813 PolarHBondContact O-N 3.17Å
1812L92.3Very high91.8Very high0 Ų028.3 Ų28.30%015%0.153CC..  trans-69.3122.2-172.1-51.8-177.5000113.4F1634 I1808 Q1817 A1821 A1850 K1853 V1854F1634-L1812 HydrophobicContact CD1-CD2 3.71Å; F1634-L1812 HydrophobicContact CE1-CD2 3.69Å; F1634-L1812 HydrophobicContact CZ-CD2 4.49Å; I1808-L1812 HydrophobicContact CG2-CD1 4.49Å; I1808-L1812 HydrophobicContact CG2-CD2 4.18Å; I1808-L1812 WeakPolarHBondContact O-CG 3.17Å; L1812-Q1817 HydrophobicContact CD2-CB 4.01Å; L1812-A1821 HydrophobicContact CD1-CB 4.09Å; L1812-A1821 HydrophobicContact CD2-CB 3.99Å; L1812-A1850 HydrophobicContact CD1-CB 3.7Å; L1812-K1853 WeakPolarHBondContact O-CE 3.43Å; L1812-K1853 PolarHBondContact O-NZ 3.39Å; L1812-V1854 HydrophobicContact CB-CG2 4.07Å
1813R89.8Confident92.1Very high161 Ų16126.9 Ų26.961%0.60814%0.137SC*.  trans-136.3-33.4176.8-56.8179.9-166.8-168.93.7113.5E1811E1811-R1813 PolarHBondContact O-N 3.17Å
1814T89.6Confident92.2Very high22 Ų2225.8 Ų25.814%0.13513%0.132CC..SBendtrans-106.4162.4-176.275.40000113.1L1639 A1816 Q1817 L1818L1639-T1814 PolarHBondContact O-OG1 3.46Å; T1814-A1816 VanDerWaalsContact C-N 3.31Å; T1814-A1816 PolarHBondContact O-N 3.12Å; T1814-Q1817 PolarHBondContact O-N 3.42Å; T1814-Q1817 WeakPolarHBondContact OG1-CG 3.24Å; T1814-Q1817 PolarHBondContact OG1-N 2.75Å; T1814-Q1817 VanDerWaalsContact OG1-N 3.16Å; T1814-Q1817 PolarHBondContact OG1-OE1 3.07Å; T1814-L1818 PolarHBondContact O-N 3.25Å; T1814-L1818 VanDerWaalsContact O-N 3.08Å
1815E90.7Very high92.2Very high6 Ų625.8 Ų25.83%0.02813%0.131CC..Hα-helixtrans-62.6-37.2173.1-175.4173.5-163.700112.1A1719 L1818 L1819 L1893 V1894 H1895A1719-E1815 HydrophobicContact CB-CB 4.36Å; E1815-L1818 WeakPolarHBondContact O-CB 3.4Å; E1815-L1818 PolarHBondContact O-N 3.04Å; E1815-L1819 HydrophobicContact CG-CD1 4.18Å; E1815-L1819 HydrophobicContact CG-CG 4.44Å; E1815-L1819 WeakPolarHBondContact O-CG 3.33Å; E1815-L1819 PolarHBondContact O-N 3.19Å; E1815-L1893 HydrophobicContact CB-CD2 3.87Å; E1815-L1893 VanDerWaalsContact CD-CD2 3.46Å; E1815-L1893 HydrophobicContact CG-CD2 3.68Å; E1815-L1893 WeakPolarHBondContact OE2-CA 3.41Å; E1815-V1894 PolarHBondContact OE1-N 3.18Å; E1815-V1894 VanDerWaalsContact OE1-N 3.11Å; E1815-V1894 PolarHBondContact OE2-N 2.97Å; E1815-H1895 IonicContact OE1-CD2 2.85Å; E1815-H1895 PolarHBondContact OE1-N 3.06Å
1816A90Very high92.2Very high3 Ų323.7 Ų23.73%0.02512%0.117CC..Hα-helixtrans-65-41.717800000112.1L1639 V1718 F1722 T1814 L1819 M1820L1639-A1816 HydrophobicContact CD2-CB 4.28Å; V1718-A1816 HydrophobicContact CB-CB 4.23Å; V1718-A1816 HydrophobicContact CG1-CB 3.49Å; V1718-A1816 VanDerWaalsContact CG1-CB 3.49Å; F1722-A1816 HydrophobicContact CD2-CB 3.98Å; F1722-A1816 HydrophobicContact CE2-CB 4.26Å; F1722-A1816 WeakPolarHBondContact CE2-O 3.07Å; T1814-A1816 VanDerWaalsContact C-N 3.31Å; T1814-A1816 PolarHBondContact O-N 3.12Å; A1816-L1819 PolarHBondContact O-N 3.15Å; A1816-M1820 WeakPolarHBondContact O-CB 3.48Å; A1816-M1820 PolarHBondContact O-N 3.44Å
1817Q92.9Very high92.1Very high4 Ų418.7 Ų18.72%0.0199%0.091CC..Hα-helixtrans-62.3-42172.1-71.2171-36.100111.3F1634 L1639 L1812 T1814 M1820 A1821F1634-Q1817 HydrophobicContact CD1-CB 4.16Å; F1634-Q1817 HydrophobicContact CD1-CG 4.33Å; F1634-Q1817 WeakPolarHBondContact CE1-O 3.38Å; F1634-Q1817 PolarHBondContact O-NE2 2.79Å; L1639-Q1817 HydrophobicContact CB-CG 4.17Å; L1812-Q1817 HydrophobicContact CD2-CB 4.01Å; T1814-Q1817 PolarHBondContact O-N 3.42Å; T1814-Q1817 WeakPolarHBondContact OG1-CG 3.24Å; T1814-Q1817 PolarHBondContact OG1-N 2.75Å; T1814-Q1817 VanDerWaalsContact OG1-N 3.16Å; T1814-Q1817 PolarHBondContact OG1-OE1 3.07Å; Q1817-M1820 PolarHBondContact O-N 3.44Å; Q1817-A1821 WeakPolarHBondContact O-CB 3.47Å; Q1817-A1821 PolarHBondContact O-N 3.24Å
1818L93.9Very high92.1Very high3 Ų317.2 Ų17.22%0.0168%0.083CC..Hα-helixtrans-60.9-45.8176.2-178.564.7000112.4T1814 E1815 M1820 A1821 F1822 A1850 V1851 V1854 I1899T1814-L1818 PolarHBondContact O-N 3.25Å; T1814-L1818 VanDerWaalsContact O-N 3.08Å; E1815-L1818 WeakPolarHBondContact O-CB 3.4Å; E1815-L1818 PolarHBondContact O-N 3.04Å; L1818-M1820 VanDerWaalsContact C-N 3.34Å; L1818-A1821 PolarHBondContact O-N 3.45Å; L1818-F1822 HydrophobicContact CD1-CD2 4.3Å; L1818-F1822 HydrophobicContact CD1-CE2 3.83Å; L1818-F1822 HydrophobicContact CD2-CE2 4.36Å; L1818-F1822 HydrophobicContact CG-CD2 4.12Å; L1818-F1822 HydrophobicContact CG-CE2 3.82Å; L1818-F1822 VanDerWaalsContact O-CD2 3.24Å; L1818-F1822 WeakPolarHBondContact O-CD2 3.47Å; L1818-F1822 PolarHBondContact O-N 2.96Å; L1818-A1850 HydrophobicContact CD1-CB 3.89Å; L1818-V1851 HydrophobicContact CD1-CG2 4.25Å; L1818-V1851 HydrophobicContact CD2-CG2 4.23Å; L1818-V1854 HydrophobicContact CB-CG1 4.42Å; L1818-V1854 HydrophobicContact CB-CG2 4.23Å; L1818-V1854 HydrophobicContact CD2-CB 4.23Å; L1818-V1854 HydrophobicContact CD2-CG1 4.28Å; L1818-I1899 HydrophobicContact CD2-CD1 4.21Å
1819L93.5Very high91.8Very high0 Ų017.2 Ų17.20%08%0.083CC..Hα-helixtrans-65.1-37.5177.3-67171.2000111.8L223 F1722 F1723 E1815 A1816 F1822 Y1823 H1895 I1899L223-L1819 HydrophobicContact CD1-CD2 4.08Å; L223-L1819 WeakPolarHBondContact CD2-O 3.28Å; F1722-L1819 HydrophobicContact CB-CD1 4.31Å; F1722-L1819 HydrophobicContact CD1-CB 4.06Å; F1722-L1819 HydrophobicContact CD1-CD1 3.85Å; F1722-L1819 HydrophobicContact CD2-CB 4.48Å; F1722-L1819 HydrophobicContact CD2-CD1 4.42Å; F1722-L1819 HydrophobicContact CE1-CB 3.62Å; F1722-L1819 HydrophobicContact CE1-CD1 4.29Å; F1722-L1819 HydrophobicContact CE2-CB 4.07Å; F1722-L1819 HydrophobicContact CG-CB 4.47Å; F1722-L1819 HydrophobicContact CG-CD1 3.92Å; F1722-L1819 HydrophobicContact CZ-CB 3.62Å; F1723-L1819 HydrophobicContact CE2-CD1 4.23Å; E1815-L1819 HydrophobicContact CG-CD1 4.18Å; E1815-L1819 HydrophobicContact CG-CG 4.44Å; E1815-L1819 WeakPolarHBondContact O-CG 3.33Å; E1815-L1819 PolarHBondContact O-N 3.19Å; A1816-L1819 PolarHBondContact O-N 3.15Å; L1819-F1822 PolarHBondContact O-N 3.11Å; L1819-Y1823 PolarHBondContact O-N 3.45Å; L1819-H1895 HydrophobicContact CD1-CB 4.16Å; L1819-H1895 HydrophobicContact CD2-CB 4.44Å; L1819-I1899 HydrophobicContact CD2-CG1 4.07Å
1820M93.1Very high91.4Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-65.6-40.4173.4-170.659.768.200112L1633 F1634 L1639 F1722 Y1778 A1816 Q1817 L1818 F1822 Y1823 L1824L1633-M1820 HydrophobicContact CD2-CG 3.76Å; L1633-M1820 HydrophobicContact CD2-SD 3.9Å; L1633-M1820 HydrophobicContact CG-CG 4.23Å; F1634-M1820 HydrophobicContact CE1-CB 4.12Å; F1634-M1820 HydrophobicContact CE1-CG 4.22Å; F1634-M1820 HydrophobicContact CZ-CG 4.49Å; L1639-M1820 HydrophobicContact CD1-CB 4.06Å; L1639-M1820 HydrophobicContact CD1-CE 4.22Å; L1639-M1820 HydrophobicContact CD1-CG 3.89Å; L1639-M1820 HydrophobicContact CD2-CE 4.3Å; F1722-M1820 HydrophobicContact CE2-CE 4.28Å; F1722-M1820 HydrophobicContact CZ-CB 4.43Å; F1722-M1820 HydrophobicContact CZ-CE 4.1Å; Y1778-M1820 HydrophobicContact CE2-CE 3.97Å; A1816-M1820 WeakPolarHBondContact O-CB 3.48Å; A1816-M1820 PolarHBondContact O-N 3.44Å; Q1817-M1820 PolarHBondContact O-N 3.44Å; L1818-M1820 VanDerWaalsContact C-N 3.34Å; M1820-F1822 VanDerWaalsContact C-N 3.33Å; M1820-F1822 PolarHBondContact O-N 3.4Å; M1820-Y1823 WeakPolarHBondContact O-CB 3.45Å; M1820-Y1823 PolarHBondContact O-N 2.89Å; M1820-Y1823 VanDerWaalsContact O-N 3.1Å; M1820-Y1823 HydrophobicContact SD-CD1 3.84Å; M1820-L1824 WeakPolarHBondContact O-CG 3.49Å; M1820-L1824 PolarHBondContact O-N 3.28Å
1821A94.4Very high91Very high1 Ų113.2 Ų13.21%0.0086%0.06CC..Hα-helixtrans-61.4-40.8174.800000111.9F1634 F1804 I1808 L1812 Q1817 L1818 L1824 V1825F1634-A1821 HydrophobicContact CE1-CB 3.94Å; F1634-A1821 HydrophobicContact CZ-CB 4.01Å; F1804-A1821 HydrophobicContact CE2-CB 4.26Å; I1808-A1821 HydrophobicContact CG2-CB 3.96Å; L1812-A1821 HydrophobicContact CD1-CB 4.09Å; L1812-A1821 HydrophobicContact CD2-CB 3.99Å; Q1817-A1821 WeakPolarHBondContact O-CB 3.47Å; Q1817-A1821 PolarHBondContact O-N 3.24Å; L1818-A1821 PolarHBondContact O-N 3.45Å; A1821-L1824 PolarHBondContact O-N 3.26Å; A1821-V1825 WeakPolarHBondContact O-CG2 3.33Å; A1821-V1825 PolarHBondContact O-N 2.72Å
1822F94.8Very high90.6Very high1 Ų110.6 Ų10.60%0.0045%0.048CC..Hα-helixtrans-61-43.4170.4-79.1-63.2000112.2L223 L1818 L1819 M1820 L1824 V1825 A1826 L1847 V1851 L1902 L1903L223-F1822 HydrophobicContact CD1-CB 4.27Å; L1818-F1822 HydrophobicContact CD1-CD2 4.3Å; L1818-F1822 HydrophobicContact CD1-CE2 3.83Å; L1818-F1822 HydrophobicContact CD2-CE2 4.36Å; L1818-F1822 HydrophobicContact CG-CD2 4.12Å; L1818-F1822 HydrophobicContact CG-CE2 3.82Å; L1818-F1822 VanDerWaalsContact O-CD2 3.24Å; L1818-F1822 WeakPolarHBondContact O-CD2 3.47Å; L1818-F1822 PolarHBondContact O-N 2.96Å; L1819-F1822 PolarHBondContact O-N 3.11Å; M1820-F1822 VanDerWaalsContact C-N 3.33Å; M1820-F1822 PolarHBondContact O-N 3.4Å; F1822-L1824 PolarHBondContact O-N 3.25Å; F1822-V1825 PolarHBondContact O-N 3.17Å; F1822-A1826 WeakPolarHBondContact O-CB 3.29Å; F1822-A1826 PolarHBondContact O-N 2.68Å; F1822-L1847 HydrophobicContact CD1-CD1 4.34Å; F1822-L1847 HydrophobicContact CD1-CD2 3.94Å; F1822-L1847 HydrophobicContact CE1-CB 4.01Å; F1822-L1847 HydrophobicContact CE1-CD1 4.1Å; F1822-L1847 HydrophobicContact CE1-CD2 3.87Å; F1822-L1847 HydrophobicContact CE1-CG 4.21Å; F1822-V1851 HydrophobicContact CE2-CG2 3.98Å; F1822-V1851 HydrophobicContact CZ-CG2 3.7Å; F1822-L1902 HydrophobicContact CB-CD2 3.82Å; F1822-L1902 HydrophobicContact CD1-CD2 3.43Å; F1822-L1902 VanDerWaalsContact CD1-CD2 3.43Å; F1822-L1902 HydrophobicContact CD2-CD2 4.16Å; F1822-L1902 HydrophobicContact CE1-CD2 3.95Å; F1822-L1902 HydrophobicContact CG-CD2 3.56Å; F1822-L1903 HydrophobicContact CZ-CD2 4.49Å
1823Y93.4Very high90.3Very high2 Ų212.7 Ų12.71%0.0086%0.057CC..Hα-helixtrans-63.5-38.3178.6177.1-121.9000113.8R222 Y225 S226 L1727 A1782 H1786 L1819 M1820 V1825 P1827R222-Y1823 PolarHBondContact NH1-OH 3.11Å; Y225-Y1823 WeakPolarHBondContact O-CE2 3.4Å; S226-Y1823 PolarHBondContact OG-OH 3.33Å; L1727-Y1823 HydrophobicContact CD1-CD1 3.88Å; L1727-Y1823 HydrophobicContact CD1-CD2 4.38Å; L1727-Y1823 HydrophobicContact CD1-CE1 3.62Å; L1727-Y1823 HydrophobicContact CD1-CE2 4.17Å; L1727-Y1823 HydrophobicContact CD1-CG 4.25Å; L1727-Y1823 HydrophobicContact CD2-CD1 4.22Å; L1727-Y1823 HydrophobicContact CD2-CD2 3.95Å; L1727-Y1823 HydrophobicContact CD2-CE2 4.43Å; L1727-Y1823 HydrophobicContact CD2-CG 3.82Å; A1782-Y1823 HydrophobicContact CB-CE1 4.15Å; H1786-Y1823 AromaticContact CE1-CD1 3.98Å; H1786-Y1823 AromaticContact CE1-CE1 3.61Å; H1786-Y1823 AromaticContact CE1-CE2 3.79Å; H1786-Y1823 AromaticContact CE1-CZ 3.52Å; H1786-Y1823 PolarHBondContact CE1-O 3.02Å; H1786-Y1823 VanDerWaalsContact CE1-O 3.27Å; H1786-Y1823 AromaticContact ND1-CZ 3.89Å; H1786-Y1823 PolarHBondContact NE2-O 3.2Å; L1819-Y1823 PolarHBondContact O-N 3.45Å; M1820-Y1823 WeakPolarHBondContact O-CB 3.45Å; M1820-Y1823 PolarHBondContact O-N 2.89Å; M1820-Y1823 VanDerWaalsContact O-N 3.1Å; M1820-Y1823 HydrophobicContact SD-CD1 3.84Å; Y1823-V1825 VanDerWaalsContact C-N 3.3Å; Y1823-V1825 PolarHBondContact O-N 3.28Å; Y1823-P1827 WeakPolarHBondContact O-CD 3.32Å; Y1823-P1827 WeakPolarHBondContact O-CG 3.18Å
1824L93Very high89.8Confident1 Ų17.6 Ų7.61%0.0055%0.047CC..Hα-helixtrans-67.6-30.1177.8-67.9-171.4000112.9L1633 F1634 A1782 W1785 H1786 I1808 M1820 A1821 F1822L1633-L1824 HydrophobicContact CD2-CD1 4.31Å; L1633-L1824 HydrophobicContact CD2-CD2 4.31Å; F1634-L1824 HydrophobicContact CE2-CD1 3.69Å; F1634-L1824 HydrophobicContact CZ-CD1 3.69Å; A1782-L1824 HydrophobicContact CB-CD2 3.74Å; W1785-L1824 HydrophobicContact CB-CD2 4.36Å; W1785-L1824 HydrophobicContact CG-CD2 4.1Å; W1785-L1824 PolarHBondContact NE1-O 3.44Å; H1786-L1824 PolarHBondContact NE2-O 3.4Å; I1808-L1824 HydrophobicContact CD1-CD1 4.45Å; M1820-L1824 WeakPolarHBondContact O-CG 3.49Å; M1820-L1824 PolarHBondContact O-N 3.28Å; A1821-L1824 PolarHBondContact O-N 3.26Å; F1822-L1824 PolarHBondContact O-N 3.25Å
1825V92.9Very high89Confident0 Ų08.1 Ų8.10%05%0.048CC..Hα-helixtrans-106.2-41.9-167.9176.20000113.5F1804 A1821 F1822 Y1823 P1827 L1828 L1843F1804-V1825 HydrophobicContact CD2-CG2 3.61Å; F1804-V1825 HydrophobicContact CE2-CG2 3.83Å; A1821-V1825 WeakPolarHBondContact O-CG2 3.33Å; A1821-V1825 PolarHBondContact O-N 2.72Å; F1822-V1825 PolarHBondContact O-N 3.17Å; Y1823-V1825 VanDerWaalsContact C-N 3.3Å; Y1823-V1825 PolarHBondContact O-N 3.28Å; V1825-P1827 VanDerWaalsContact C-CD 3.47Å; V1825-L1828 WeakPolarHBondContact O-CB 3.47Å; V1825-L1828 PolarHBondContact O-N 3.48Å; V1825-L1843 HydrophobicContact CG1-CD1 3.82Å; V1825-L1843 HydrophobicContact CG1-CD2 3.68Å; V1825-L1843 HydrophobicContact CG1-CG 3.95Å
1826A91.1Very high88.3Confident1 Ų110.4 Ų10.41%0.0086%0.056CC..G310 helixtrans-60.5-35.8-171.500000114.7L224 F1822 L1828 M1829L224-A1826 HydrophobicContact CD2-CB 4.26Å; F1822-A1826 WeakPolarHBondContact O-CB 3.29Å; F1822-A1826 PolarHBondContact O-N 2.68Å; A1826-L1828 PolarHBondContact O-N 3.12Å; A1826-M1829 HydrophobicContact CB-SD 4.31Å; A1826-M1829 WeakPolarHBondContact O-CB 3.27Å; A1826-M1829 PolarHBondContact O-N 3.41Å; A1826-M1829 VanDerWaalsContact O-N 3.16Å
1827P89.3Confident88Confident9 Ų914 Ų146%0.0588%0.079CC..G310 helixtrans-61.2-23.4172.9-24.335.9000114.1L223 L224 Y229 Y1823 V1825L223-P1827 WeakPolarHBondContact O-CD 3.39Å; L224-P1827 WeakPolarHBondContact O-CA 3.21Å; Y229-P1827 HydrophobicContact CD1-CB 4.37Å; Y1823-P1827 WeakPolarHBondContact O-CD 3.32Å; Y1823-P1827 WeakPolarHBondContact O-CG 3.18Å; V1825-P1827 VanDerWaalsContact C-CD 3.47Å
1828L89.7Confident87.7Confident0 Ų017.1 Ų17.10%011%0.105CC..G310 helixtrans-84.9-15.5-179.1-48.3-177000112.6Y229 W1789 L1800 V1825 A1826 G1830 S1831 L1832Y229-L1828 HydrophobicContact CD2-CD2 3.81Å; Y229-L1828 HydrophobicContact CE2-CD2 3.29Å; W1789-L1828 HydrophobicContact CB-CD1 3.92Å; W1789-L1828 HydrophobicContact CB-CD2 3.61Å; W1789-L1828 HydrophobicContact CB-CG 4.44Å; W1789-L1828 HydrophobicContact CD2-CD1 3.93Å; W1789-L1828 HydrophobicContact CE3-CD1 4.46Å; W1789-L1828 HydrophobicContact CG-CD1 3.66Å; W1789-L1828 HydrophobicContact CG-CD2 4.3Å; L1800-L1828 HydrophobicContact CD1-CD1 4.09Å; L1800-L1828 HydrophobicContact CD2-CB 4Å; L1800-L1828 HydrophobicContact CD2-CD1 3.74Å; V1825-L1828 WeakPolarHBondContact O-CB 3.47Å; V1825-L1828 PolarHBondContact O-N 3.48Å; A1826-L1828 PolarHBondContact O-N 3.12Å; L1828-G1830 PolarHBondContact O-N 2.96Å; L1828-S1831 WeakPolarHBondContact O-CB 3.13Å; L1828-S1831 PolarHBondContact O-N 3.37Å; L1828-L1832 PolarHBondContact O-N 3.11Å
1829M88.5Confident87.4Confident0 Ų019.7 Ų19.70%012%0.117CC..Hα-helixtrans-65.8-34.6-173.1-66.4-17882.400113.1A1826 S1831 L1832 H1833 L1840 L1843 L1847 I1906 Y1910A1826-M1829 HydrophobicContact CB-SD 4.31Å; A1826-M1829 WeakPolarHBondContact O-CB 3.27Å; A1826-M1829 PolarHBondContact O-N 3.41Å; A1826-M1829 VanDerWaalsContact O-N 3.16Å; M1829-S1831 VanDerWaalsContact C-N 3.35Å; M1829-L1832 PolarHBondContact O-N 3.1Å; M1829-H1833 WeakPolarHBondContact O-CB 3.27Å; M1829-H1833 PolarHBondContact O-N 3.05Å; M1829-L1840 HydrophobicContact CB-CD1 3.85Å; M1829-L1840 HydrophobicContact CE-CD1 3.62Å; M1829-L1840 HydrophobicContact CG-CD1 3.88Å; M1829-L1843 HydrophobicContact CG-CD2 4.49Å; M1829-L1847 HydrophobicContact CE-CD1 4.21Å; M1829-L1847 HydrophobicContact SD-CD1 4.2Å; M1829-I1906 HydrophobicContact CE-CB 4.39Å; M1829-I1906 HydrophobicContact CE-CD1 3.98Å; M1829-I1906 HydrophobicContact CE-CG1 3.88Å; M1829-I1906 HydrophobicContact CE-CG2 3.63Å; M1829-I1906 HydrophobicContact SD-CD1 3.87Å; M1829-I1906 HydrophobicContact SD-CG1 3.96Å; M1829-Y1910 HydrophobicContact CB-CD2 4.25Å; M1829-Y1910 HydrophobicContact CB-CE2 4.16Å
1830G84.6Confident87.2Confident7 Ų719.8 Ų19.87%0.07212%0.117CC..Hα-helixtrans-63.2-41.4175.400000112.3L1828 S1834L1828-G1830 PolarHBondContact O-N 2.96Å; G1830-S1834 PolarHBondContact O-N 2.92Å
1831S82.7Confident87.1Confident2 Ų221.3 Ų21.31%0.01413%0.126CC..Hα-helixtrans-65.4-51.4175.5-57.60000111.1Y229 P244 L1828 M1829 H1833 S1834 E1835Y229-S1831 PolarHBondContact OH-OG 3.05Å; P244-S1831 VanDerWaalsContact CG-CA 3.46Å; L1828-S1831 WeakPolarHBondContact O-CB 3.13Å; L1828-S1831 PolarHBondContact O-N 3.37Å; M1829-S1831 VanDerWaalsContact C-N 3.35Å; S1831-H1833 VanDerWaalsContact C-N 3.31Å; S1831-H1833 PolarHBondContact O-N 3.17Å; S1831-S1834 PolarHBondContact O-N 3.26Å; S1831-S1834 VanDerWaalsContact O-N 3.08Å; S1831-S1834 PolarHBondContact O-OG 3.5Å; S1831-E1835 PolarHBondContact O-N 2.87Å
1832L83.4Confident86.9Confident0 Ų024.7 Ų24.70%014%0.144CC..Hα-helixtrans-61.6-36.1179-166.368.6000112.6L1797 L1828 M1829 S1834 R1836 K1839 L1840 L1843L1797-L1832 HydrophobicContact CB-CD1 4.17Å; L1797-L1832 WeakPolarHBondContact O-CD1 3.36Å; L1828-L1832 PolarHBondContact O-N 3.11Å; M1829-L1832 PolarHBondContact O-N 3.1Å; L1832-S1834 VanDerWaalsContact C-N 3.32Å; L1832-S1834 PolarHBondContact O-N 2.87Å; L1832-R1836 HydrophobicContact CD1-CB 3.98Å; L1832-R1836 CarbonylContact O-C 3.45Å; L1832-R1836 WeakPolarHBondContact O-CA 3.37Å; L1832-R1836 PolarHBondContact O-N 3.49Å; L1832-K1839 HydrophobicContact CD1-CB 4.11Å; L1832-K1839 HydrophobicContact CD2-CB 4.38Å; L1832-K1839 HydrophobicContact CG-CB 4.45Å; L1832-L1840 HydrophobicContact CB-CD1 4.34Å; L1832-L1840 HydrophobicContact CD2-CB 4Å; L1832-L1840 HydrophobicContact CD2-CD1 3.96Å; L1832-L1840 HydrophobicContact CG-CB 4.14Å; L1832-L1840 HydrophobicContact CG-CD1 4.46Å; L1832-L1843 HydrophobicContact CD2-CB 4.37Å; L1832-L1843 HydrophobicContact CD2-CD2 3.6Å
1833H85.4Confident86.8Confident43 Ų4324.7 Ų24.720%0.19914%0.144CC..Hα-helixtrans-60.9-38.617417680000113K259 M1829 S1831 L1840 Y1910K259-H1833 PolarHBondContact NZ-CD2 2.3Å; K259-H1833 PolarHBondContact NZ-NE2 2.8Å; M1829-H1833 WeakPolarHBondContact O-CB 3.27Å; M1829-H1833 PolarHBondContact O-N 3.05Å; S1831-H1833 VanDerWaalsContact C-N 3.31Å; S1831-H1833 PolarHBondContact O-N 3.17Å; H1833-L1840 HydrophobicContact CB-CD2 3.49Å; H1833-L1840 VanDerWaalsContact CB-CD2 3.49Å; H1833-Y1910 HydrophobicContact CB-CD1 3.89Å; H1833-Y1910 HydrophobicContact CB-CE1 4.5Å; H1833-Y1910 PolarHBondContact CE1-O 2.86Å; H1833-Y1910 AromaticContact CG-CD1 3.86Å; H1833-Y1910 PolarHBondContact ND1-O 3.05Å; H1833-Y1910 VanDerWaalsContact ND1-O 3.16Å
1834S78.2Confident86.8Confident55 Ų5524.7 Ų24.739%0.38514%0.144SC..Hα-helixtrans-79-31.3-17770.90000113.9P244 G1830 S1831 L1832P244-S1834 WeakPolarHBondContact CB-OG 3.3Å; P244-S1834 VanDerWaalsContact CG-OG 3.26Å; P244-S1834 WeakPolarHBondContact CG-OG 3.42Å; G1830-S1834 PolarHBondContact O-N 2.92Å; S1831-S1834 PolarHBondContact O-N 3.26Å; S1831-S1834 VanDerWaalsContact O-N 3.08Å; S1831-S1834 PolarHBondContact O-OG 3.5Å; L1832-S1834 VanDerWaalsContact C-N 3.32Å; L1832-S1834 PolarHBondContact O-N 2.87Å
1835E72.9Confident86.8Confident33 Ų3324.7 Ų24.715%0.15414%0.144CC..Hα-helixtrans-104.7-33.8-176.2-56.8-162.3144.200113.9S242 P244 T1794 S1831S242-E1835 PolarHBondContact OG-OE1 3.43Å; P244-E1835 WeakPolarHBondContact CD-OE1 3.5Å; P244-E1835 HydrophobicContact CG-CG 4.16Å; T1794-E1835 VanDerWaalsContact CA-OE2 3.25Å; T1794-E1835 WeakPolarHBondContact CA-OE2 3.38Å; T1794-E1835 VanDerWaalsContact CB-OE2 3.22Å; T1794-E1835 WeakPolarHBondContact CB-OE2 3.5Å; T1794-E1835 HydrophobicContact CG2-CB 3.91Å; T1794-E1835 WeakPolarHBondContact CG2-OE2 3.41Å; T1794-E1835 PolarHBondContact OG1-OE1 3.05Å; T1794-E1835 PolarHBondContact OG1-OE2 3.45Å; S1831-E1835 PolarHBondContact O-N 2.87Å
1836R77.3Confident86.8Confident54 Ų5426.1 Ų26.120%0.20415%0.151CC..  trans-144.966.2-173.9-63.9-68.3159.3150.2-6112.1E1002 T1794 A1798 L1832 A1838 K1839 L1840E1002-R1836 PolarHBondContact O-NH1 3.09Å; E1002-R1836 PolarHBondContact O-NH2 3Å; E1002-R1836 IonicContact OE2-CZ 3.07Å; E1002-R1836 IonicContact OE2-NH1 3.96Å; E1002-R1836 PolarHBondContact OE2-NH1 3.31Å; T1794-R1836 HydrophobicContact CG2-CG 4.02Å; A1798-R1836 HydrophobicContact CB-CG 4.38Å; L1832-R1836 HydrophobicContact CD1-CB 3.98Å; L1832-R1836 CarbonylContact O-C 3.45Å; L1832-R1836 WeakPolarHBondContact O-CA 3.37Å; L1832-R1836 PolarHBondContact O-N 3.49Å; R1836-A1838 PolarHBondContact O-N 2.83Å; R1836-K1839 HydrophobicContact CB-CB 4.13Å; R1836-K1839 HydrophobicContact CB-CG 4.07Å; R1836-K1839 PolarHBondContact O-N 3.05Å; R1836-K1839 VanDerWaalsContact O-N 3.1Å; R1836-L1840 PolarHBondContact O-N 3.4Å
1837P84Confident87Confident78 Ų7826.2 Ų26.251%0.50615%0.151SC..Hα-helixtrans-58.7-25.7-177.323.3-34.4000114.2L1840P1837-L1840 WeakPolarHBondContact O-CB 3.37Å; P1837-L1840 PolarHBondContact O-N 3.18Å
1838A85.8Confident87.2Confident69 Ų6926.3 Ų26.357%0.5715%0.151SC*.Hα-helixtrans-64-51.8173.700000112.4R1836 L1840 V1841 D1842R1836-A1838 PolarHBondContact O-N 2.83Å; A1838-L1840 PolarHBondContact O-N 3.37Å; A1838-L1840 VanDerWaalsContact O-N 3.13Å; A1838-V1841 WeakPolarHBondContact O-CB 3.35Å; A1838-V1841 PolarHBondContact O-N 2.89Å; A1838-D1842 PolarHBondContact O-N 2.93Å
1839K87Confident87.4Confident58 Ų5830.4 Ų30.425%0.25217%0.166SC..Hα-helixtrans-61.2-24.8179.1-62.7-73.1-174.51510112.6E1002 A1798 P1801 L1832 R1836 D1842 L1843E1002-K1839 VanDerWaalsContact OE1-CE 3.25Å; E1002-K1839 WeakPolarHBondContact OE1-CE 3.41Å; E1002-K1839 IonicContact OE1-NZ 2.76Å; E1002-K1839 PolarHBondContact OE1-NZ 2.92Å; A1798-K1839 HydrophobicContact CB-CG 4.41Å; A1798-K1839 PolarHBondContact O-NZ 3.24Å; P1801-K1839 HydrophobicContact CG-CB 4.08Å; P1801-K1839 HydrophobicContact CG-CD 4.47Å; P1801-K1839 WeakPolarHBondContact CG-O 3.45Å; L1832-K1839 HydrophobicContact CD1-CB 4.11Å; L1832-K1839 HydrophobicContact CD2-CB 4.38Å; L1832-K1839 HydrophobicContact CG-CB 4.45Å; R1836-K1839 HydrophobicContact CB-CB 4.13Å; R1836-K1839 HydrophobicContact CB-CG 4.07Å; R1836-K1839 PolarHBondContact O-N 3.05Å; R1836-K1839 VanDerWaalsContact O-N 3.1Å; K1839-D1842 PolarHBondContact O-N 3.36Å; K1839-L1843 WeakPolarHBondContact O-CB 3.33Å; K1839-L1843 PolarHBondContact O-N 2.94Å
1840L89.6Confident87.7Confident2 Ų230.5 Ų30.51%0.0117%0.167CC..Hα-helixtrans-70.8-31.3173.7-174.565.5000113.3M1829 L1832 H1833 R1836 P1837 A1838 L1843 T1844 Y1910 V1911M1829-L1840 HydrophobicContact CB-CD1 3.85Å; M1829-L1840 HydrophobicContact CE-CD1 3.62Å; M1829-L1840 HydrophobicContact CG-CD1 3.88Å; L1832-L1840 HydrophobicContact CB-CD1 4.34Å; L1832-L1840 HydrophobicContact CD2-CB 4Å; L1832-L1840 HydrophobicContact CD2-CD1 3.96Å; L1832-L1840 HydrophobicContact CG-CB 4.14Å; L1832-L1840 HydrophobicContact CG-CD1 4.46Å; H1833-L1840 HydrophobicContact CB-CD2 3.49Å; H1833-L1840 VanDerWaalsContact CB-CD2 3.49Å; R1836-L1840 PolarHBondContact O-N 3.4Å; P1837-L1840 WeakPolarHBondContact O-CB 3.37Å; P1837-L1840 PolarHBondContact O-N 3.18Å; A1838-L1840 PolarHBondContact O-N 3.37Å; A1838-L1840 VanDerWaalsContact O-N 3.13Å; L1840-L1843 HydrophobicContact CD1-CD2 4.34Å; L1840-T1844 VanDerWaalsContact O-CB 3.29Å; L1840-T1844 WeakPolarHBondContact O-CB 3.48Å; L1840-T1844 PolarHBondContact O-N 3.38Å; L1840-T1844 PolarHBondContact O-OG1 2.89Å; L1840-Y1910 HydrophobicContact CD2-CG 4.38Å; L1840-V1911 HydrophobicContact CD2-CG2 4.43Å; L1840-V1911 HydrophobicContact CG-CG2 4.24Å
1841V91.1Very high88.1Confident32 Ų3230.4 Ų30.419%0.19417%0.165CC..Hα-helixtrans-66-45.8172.9-179.10000109.4A1838 T1844 A1845 G1914 V1915A1838-V1841 WeakPolarHBondContact O-CB 3.35Å; A1838-V1841 PolarHBondContact O-N 2.89Å; V1841-T1844 PolarHBondContact O-N 3.09Å; V1841-A1845 PolarHBondContact O-N 3.26Å; V1841-G1914 WeakPolarHBondContact CG1-O 3.43Å; V1841-V1915 HydrophobicContact CG1-CB 4.1Å; V1841-V1915 HydrophobicContact CG1-CG2 4.16Å
1842D90.3Very high88.6Confident72 Ų7234.6 Ų34.639%0.38518%0.181SC..Hα-helixtrans-58.8-51.6176.8-53.5-32.1000111P1801 A1838 K1839 T1844 A1845 E1846P1801-D1842 HydrophobicContact CB-CB 4.28Å; A1838-D1842 PolarHBondContact O-N 2.93Å; K1839-D1842 PolarHBondContact O-N 3.36Å; D1842-T1844 VanDerWaalsContact C-N 3.29Å; D1842-T1844 PolarHBondContact O-N 3.39Å; D1842-A1845 WeakPolarHBondContact O-CB 3.32Å; D1842-A1845 PolarHBondContact O-N 3.12Å; D1842-A1845 VanDerWaalsContact O-N 3.12Å; D1842-E1846 PolarHBondContact O-N 3.45Å
1843L92.9Very high89.1Confident0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-56.9-41.3175.7-175.163.2000112.5L1800 P1801 F1804 V1825 M1829 L1832 K1839 L1840 A1845 E1846 L1847L1800-L1843 HydrophobicContact CD2-CD2 3.94Å; L1800-L1843 HydrophobicContact CG-CD1 4.42Å; L1800-L1843 HydrophobicContact CG-CD2 4.45Å; P1801-L1843 HydrophobicContact CB-CB 4.42Å; P1801-L1843 HydrophobicContact CG-CB 4.22Å; F1804-L1843 HydrophobicContact CB-CD1 4.18Å; F1804-L1843 HydrophobicContact CG-CD1 4.32Å; V1825-L1843 HydrophobicContact CG1-CD1 3.82Å; V1825-L1843 HydrophobicContact CG1-CD2 3.68Å; V1825-L1843 HydrophobicContact CG1-CG 3.95Å; M1829-L1843 HydrophobicContact CG-CD2 4.49Å; L1832-L1843 HydrophobicContact CD2-CB 4.37Å; L1832-L1843 HydrophobicContact CD2-CD2 3.6Å; K1839-L1843 WeakPolarHBondContact O-CB 3.33Å; K1839-L1843 PolarHBondContact O-N 2.94Å; L1840-L1843 HydrophobicContact CD1-CD2 4.34Å; L1843-A1845 VanDerWaalsContact C-N 3.35Å; L1843-E1846 PolarHBondContact O-N 3.03Å; L1843-L1847 WeakPolarHBondContact O-CG 3.29Å; L1843-L1847 PolarHBondContact O-N 3.33Å
1844T93.3Very high89.4Confident2 Ų235.3 Ų35.31%0.01218%0.183CC..Hα-helixtrans-68.3-36.5179.2-58.90000111.4L1840 V1841 D1842 E1846 L1847 Y1848 I1906 V1911 V1915L1840-T1844 VanDerWaalsContact O-CB 3.29Å; L1840-T1844 WeakPolarHBondContact O-CB 3.48Å; L1840-T1844 PolarHBondContact O-N 3.38Å; L1840-T1844 PolarHBondContact O-OG1 2.89Å; V1841-T1844 PolarHBondContact O-N 3.09Å; D1842-T1844 VanDerWaalsContact C-N 3.29Å; D1842-T1844 PolarHBondContact O-N 3.39Å; T1844-E1846 VanDerWaalsContact C-N 3.34Å; T1844-L1847 PolarHBondContact O-N 2.62Å; T1844-Y1848 HydrophobicContact CG2-CD2 4.1Å; T1844-Y1848 HydrophobicContact CG2-CE2 3.95Å; T1844-Y1848 VanDerWaalsContact O-CD2 3.31Å; T1844-Y1848 WeakPolarHBondContact O-CD2 3.46Å; T1844-Y1848 PolarHBondContact O-N 3.24Å; T1844-Y1848 VanDerWaalsContact O-N 3.11Å; T1844-I1906 HydrophobicContact CG2-CG2 3.81Å; T1844-V1911 HydrophobicContact CG2-CG2 4.19Å; T1844-V1911 WeakPolarHBondContact OG1-CG2 3.33Å; T1844-V1915 HydrophobicContact CG2-CG1 4.18Å; T1844-V1915 HydrophobicContact CG2-CG2 4.32Å
1845A92.4Very high90Very high1 Ų132.9 Ų32.91%0.00817%0.166CC..Hα-helixtrans-62.8-41.317300000111.5V1841 D1842 L1843 L1847 Y1848 R1849 V1915 Q1918V1841-A1845 PolarHBondContact O-N 3.26Å; D1842-A1845 WeakPolarHBondContact O-CB 3.32Å; D1842-A1845 PolarHBondContact O-N 3.12Å; D1842-A1845 VanDerWaalsContact O-N 3.12Å; L1843-A1845 VanDerWaalsContact C-N 3.35Å; A1845-L1847 VanDerWaalsContact C-N 3.34Å; A1845-L1847 PolarHBondContact O-N 2.9Å; A1845-Y1848 PolarHBondContact O-N 3.25Å; A1845-R1849 WeakPolarHBondContact O-CG 3.42Å; A1845-R1849 PolarHBondContact O-N 3.18Å; A1845-V1915 HydrophobicContact CB-CG2 3.92Å; A1845-Q1918 HydrophobicContact CB-CB 4.12Å
1846E93.4Very high90.7Very high30 Ų3033 Ų3314%0.1417%0.169CC..Hα-helixtrans-62-37.5173.1-66.4-49.6137.200113.2F1804 L1809 D1842 L1843 T1844 Y1848 R1849 A1850F1804-E1846 HydrophobicContact CD1-CB 3.61Å; F1804-E1846 HydrophobicContact CD1-CG 4.3Å; F1804-E1846 HydrophobicContact CE1-CB 3.75Å; L1809-E1846 WeakPolarHBondContact CD2-OE2 3.4Å; D1842-E1846 PolarHBondContact O-N 3.45Å; L1843-E1846 PolarHBondContact O-N 3.03Å; T1844-E1846 VanDerWaalsContact C-N 3.34Å; E1846-Y1848 VanDerWaalsContact C-N 3.34Å; E1846-Y1848 PolarHBondContact O-N 2.68Å; E1846-R1849 WeakPolarHBondContact O-CB 3.49Å; E1846-R1849 PolarHBondContact O-N 3.4Å; E1846-R1849 IonicContact OE1-CZ 3.55Å; E1846-R1849 IonicContact OE1-NE 3.48Å; E1846-R1849 IonicContact OE1-NH1 3.09Å; E1846-R1849 PolarHBondContact OE1-NH1 3.44Å; E1846-R1849 WeakPolarHBondContact OE2-CD 3.45Å; E1846-R1849 IonicContact OE2-NH1 3.65Å; E1846-A1850 WeakPolarHBondContact O-CB 3.38Å; E1846-A1850 PolarHBondContact O-N 2.72Å
1847L94.4Very high91.2Very high3 Ų333.3 Ų33.32%0.01618%0.176CC..Hα-helixtrans-63.1-38.2173.2-67.1174.6000112.2F1804 F1822 M1829 L1843 T1844 A1845 A1850 V1851 I1906F1804-L1847 HydrophobicContact CE2-CD2 4.08Å; F1804-L1847 HydrophobicContact CZ-CD2 3.86Å; F1822-L1847 HydrophobicContact CD1-CD1 4.34Å; F1822-L1847 HydrophobicContact CD1-CD2 3.94Å; F1822-L1847 HydrophobicContact CE1-CB 4.01Å; F1822-L1847 HydrophobicContact CE1-CD1 4.1Å; F1822-L1847 HydrophobicContact CE1-CD2 3.87Å; F1822-L1847 HydrophobicContact CE1-CG 4.21Å; M1829-L1847 HydrophobicContact CE-CD1 4.21Å; M1829-L1847 HydrophobicContact SD-CD1 4.2Å; L1843-L1847 WeakPolarHBondContact O-CG 3.29Å; L1843-L1847 PolarHBondContact O-N 3.33Å; T1844-L1847 PolarHBondContact O-N 2.62Å; A1845-L1847 VanDerWaalsContact C-N 3.34Å; A1845-L1847 PolarHBondContact O-N 2.9Å; L1847-A1850 PolarHBondContact O-N 2.75Å; L1847-V1851 WeakPolarHBondContact O-CG2 3.21Å; L1847-V1851 PolarHBondContact O-N 2.78Å; L1847-V1851 VanDerWaalsContact O-N 3.08Å; L1847-I1906 HydrophobicContact CD1-CD1 4.35Å
1848Y94Very high91.3Very high11 Ų1130.5 Ų30.54%0.04316%0.157CC..Hα-helixtrans-69.2-36.1172.9-82.5-80.7000112.6T1844 A1845 E1846 V1851 W1852 L1903 V1915 V1919 L1923T1844-Y1848 HydrophobicContact CG2-CD2 4.1Å; T1844-Y1848 HydrophobicContact CG2-CE2 3.95Å; T1844-Y1848 VanDerWaalsContact O-CD2 3.31Å; T1844-Y1848 WeakPolarHBondContact O-CD2 3.46Å; T1844-Y1848 PolarHBondContact O-N 3.24Å; T1844-Y1848 VanDerWaalsContact O-N 3.11Å; A1845-Y1848 PolarHBondContact O-N 3.25Å; E1846-Y1848 VanDerWaalsContact C-N 3.34Å; E1846-Y1848 PolarHBondContact O-N 2.68Å; Y1848-V1851 PolarHBondContact O-N 2.78Å; Y1848-W1852 PolarHBondContact O-N 3.1Å; Y1848-L1903 HydrophobicContact CE1-CD1 3.97Å; Y1848-L1903 HydrophobicContact CE1-CD2 4.16Å; Y1848-L1903 HydrophobicContact CE2-CD2 4.16Å; Y1848-V1915 HydrophobicContact CE2-CG1 4.36Å; Y1848-V1919 HydrophobicContact CD1-CG1 3.79Å; Y1848-V1919 HydrophobicContact CD1-CG2 4.08Å; Y1848-V1919 HydrophobicContact CD2-CB 4.48Å; Y1848-V1919 HydrophobicContact CD2-CG1 4.35Å; Y1848-V1919 HydrophobicContact CD2-CG2 3.29Å; Y1848-V1919 HydrophobicContact CE1-CG1 3.68Å; Y1848-V1919 HydrophobicContact CE1-CG2 4.37Å; Y1848-V1919 HydrophobicContact CE2-CG1 4.26Å; Y1848-V1919 HydrophobicContact CE2-CG2 3.64Å; Y1848-V1919 HydrophobicContact CG-CB 4.48Å; Y1848-V1919 HydrophobicContact CG-CG1 4.13Å; Y1848-V1919 HydrophobicContact CG-CG2 3.53Å; Y1848-L1923 HydrophobicContact CE1-CD2 4.33Å
1849R93.9Very high91.1Very high87 Ų8729.1 Ų29.133%0.32815%0.146SC..Hα-helixtrans-62.3-41.1171.7-69.8174.9-177.1106.511.6111.2A1845 E1846 W1852 K1853 Q1918 L1922A1845-R1849 WeakPolarHBondContact O-CG 3.42Å; A1845-R1849 PolarHBondContact O-N 3.18Å; E1846-R1849 WeakPolarHBondContact O-CB 3.49Å; E1846-R1849 PolarHBondContact O-N 3.4Å; E1846-R1849 IonicContact OE1-CZ 3.55Å; E1846-R1849 IonicContact OE1-NE 3.48Å; E1846-R1849 IonicContact OE1-NH1 3.09Å; E1846-R1849 PolarHBondContact OE1-NH1 3.44Å; E1846-R1849 WeakPolarHBondContact OE2-CD 3.45Å; E1846-R1849 IonicContact OE2-NH1 3.65Å; R1849-W1852 PolarHBondContact O-N 3.24Å; R1849-K1853 WeakPolarHBondContact O-CB 3.5Å; R1849-K1853 PolarHBondContact O-N 3.36Å; R1849-Q1918 VanDerWaalsContact NH2-OE1 3.11Å; R1849-L1922 HydrophobicContact CG-CD1 4.42Å
1850A94.3Very high90.7Very high1 Ų134.6 Ų34.61%0.00817%0.17CC..Hα-helixtrans-62.1-45.7175.500000112.7F1804 L1809 L1812 L1818 E1846 L1847 W1852 K1853 V1854F1804-A1850 HydrophobicContact CZ-CB 4.3Å; L1809-A1850 HydrophobicContact CD1-CB 3.9Å; L1812-A1850 HydrophobicContact CD1-CB 3.7Å; L1818-A1850 HydrophobicContact CD1-CB 3.89Å; E1846-A1850 WeakPolarHBondContact O-CB 3.38Å; E1846-A1850 PolarHBondContact O-N 2.72Å; L1847-A1850 PolarHBondContact O-N 2.75Å; A1850-W1852 PolarHBondContact O-N 3.31Å; A1850-K1853 PolarHBondContact O-N 3.33Å; A1850-V1854 PolarHBondContact O-N 2.86Å
1851V93.9Very high89.4Confident5 Ų536.6 Ų36.63%0.0318%0.184CC..Hα-helixtrans-59.3-46175.1172.50000111.1L1818 F1822 L1847 Y1848 V1854 D1855 I1899 L1926L1818-V1851 HydrophobicContact CD1-CG2 4.25Å; L1818-V1851 HydrophobicContact CD2-CG2 4.23Å; F1822-V1851 HydrophobicContact CE2-CG2 3.98Å; F1822-V1851 HydrophobicContact CZ-CG2 3.7Å; L1847-V1851 WeakPolarHBondContact O-CG2 3.21Å; L1847-V1851 PolarHBondContact O-N 2.78Å; L1847-V1851 VanDerWaalsContact O-N 3.08Å; Y1848-V1851 PolarHBondContact O-N 2.78Å; V1851-V1854 PolarHBondContact O-N 2.83Å; V1851-D1855 WeakPolarHBondContact O-CB 3.37Å; V1851-D1855 PolarHBondContact O-N 3.46Å; V1851-I1899 HydrophobicContact CG2-CG2 4.37Å; V1851-L1926 HydrophobicContact CG1-CD2 4.41Å
1852W93.1Very high87.4Confident91 Ų9141 Ų4135%0.34521%0.206SC..Hα-helixtrans-65.2-41.9178.3172.783.2000112.7Y1848 R1849 A1850 V1854 D1855 T1856 L1922 L1926Y1848-W1852 PolarHBondContact O-N 3.1Å; R1849-W1852 PolarHBondContact O-N 3.24Å; A1850-W1852 PolarHBondContact O-N 3.31Å; W1852-V1854 PolarHBondContact O-N 3.41Å; W1852-D1855 PolarHBondContact O-N 3.48Å; W1852-T1856 HydrophobicContact CD2-CG2 4.43Å; W1852-T1856 HydrophobicContact CG-CG2 4.5Å; W1852-T1856 HydrophobicContact CZ2-CG2 4.48Å; W1852-T1856 WeakPolarHBondContact O-CB 3.36Å; W1852-T1856 WeakPolarHBondContact O-CG2 3.48Å; W1852-T1856 PolarHBondContact O-N 3.44Å; W1852-T1856 PolarHBondContact O-OG1 2.76Å; W1852-L1922 HydrophobicContact CB-CD2 4.47Å; W1852-L1922 HydrophobicContact CD2-CD2 4.35Å; W1852-L1922 HydrophobicContact CG-CD2 4.16Å; W1852-L1926 HydrophobicContact CB-CD2 4.49Å
1853K92.9Very high85.3Confident57 Ų5745 Ų4525%0.24822%0.217CC..Hα-helixtrans-58.4-47.5175.7-179.1179.7174.7-175.30111.3L1809 P1810 L1812 R1849 A1850 T1856 V1857L1809-K1853 PolarHBondContact O-NZ 3.14Å; P1810-K1853 VanDerWaalsContact C-NZ 3.29Å; P1810-K1853 PolarHBondContact O-NZ 3.2Å; L1812-K1853 WeakPolarHBondContact O-CE 3.43Å; L1812-K1853 PolarHBondContact O-NZ 3.39Å; R1849-K1853 WeakPolarHBondContact O-CB 3.5Å; R1849-K1853 PolarHBondContact O-N 3.36Å; A1850-K1853 PolarHBondContact O-N 3.33Å; K1853-T1856 PolarHBondContact O-OG1 2.77Å; K1853-V1857 VanDerWaalsContact O-CG2 3.26Å; K1853-V1857 WeakPolarHBondContact O-CG2 3.42Å; K1853-V1857 PolarHBondContact O-N 2.7Å
1854V91.9Very high82.4Confident0 Ų054.3 Ų54.30%026%0.261CS..Hα-helixtrans-72.5-39.1-179.3174.30000112L1812 L1818 A1850 V1851 W1852 T1856 V1857 L1858L1812-V1854 HydrophobicContact CB-CG2 4.07Å; L1818-V1854 HydrophobicContact CB-CG1 4.42Å; L1818-V1854 HydrophobicContact CB-CG2 4.23Å; L1818-V1854 HydrophobicContact CD2-CB 4.23Å; L1818-V1854 HydrophobicContact CD2-CG1 4.28Å; A1850-V1854 PolarHBondContact O-N 2.86Å; V1851-V1854 PolarHBondContact O-N 2.83Å; W1852-V1854 PolarHBondContact O-N 3.41Å; V1854-T1856 VanDerWaalsContact C-N 3.33Å; V1854-T1856 PolarHBondContact O-N 3.41Å; V1854-V1857 PolarHBondContact O-N 2.6Å; V1854-L1858 HydrophobicContact CG1-CD1 3.81Å; V1854-L1858 HydrophobicContact CG1-CG 4.3Å; V1854-L1858 WeakPolarHBondContact O-CG 3.49Å; V1854-L1858 PolarHBondContact O-N 3.08Å
1855D90.6Very high79.7Confident4 Ų463.8 Ų63.82%0.02130%0.302CS..Hα-helixtrans-62.6-39.8176.1-162.644.4000111.8V1851 W1852 A1859 L1893 L1926 R1927 L1930V1851-D1855 WeakPolarHBondContact O-CB 3.37Å; V1851-D1855 PolarHBondContact O-N 3.46Å; W1852-D1855 PolarHBondContact O-N 3.48Å; D1855-A1859 VanDerWaalsContact O-CB 3.28Å; D1855-A1859 WeakPolarHBondContact O-CB 3.38Å; D1855-A1859 PolarHBondContact O-N 3.15Å; D1855-L1893 WeakPolarHBondContact OD1-CD1 3.25Å; D1855-L1926 HydrophobicContact CB-CD2 4.19Å; D1855-L1926 WeakPolarHBondContact OD2-CA 3.07Å; D1855-R1927 IonicContact OD1-CZ 2.85Å; D1855-R1927 IonicContact OD1-NE 3.13Å; D1855-R1927 PolarHBondContact OD1-NE 2.85Å; D1855-R1927 IonicContact OD1-NH2 3.44Å; D1855-R1927 PolarHBondContact OD1-NH2 3.32Å; D1855-R1927 PolarHBondContact OD2-N 2.74Å; D1855-R1927 IonicContact OD2-NE 3.9Å; D1855-L1930 HydrophobicContact CB-CD1 4.38Å
1856T89.1Confident76.7Confident36 Ų3668.4 Ų68.422%0.22133%0.334CS..Hα-helixtrans-72.8-31.1177.254.60000113.8W1852 K1853 V1854 K1860W1852-T1856 HydrophobicContact CD2-CG2 4.43Å; W1852-T1856 HydrophobicContact CG-CG2 4.5Å; W1852-T1856 HydrophobicContact CZ2-CG2 4.48Å; W1852-T1856 WeakPolarHBondContact O-CB 3.36Å; W1852-T1856 WeakPolarHBondContact O-CG2 3.48Å; W1852-T1856 PolarHBondContact O-N 3.44Å; W1852-T1856 PolarHBondContact O-OG1 2.76Å; K1853-T1856 PolarHBondContact O-OG1 2.77Å; V1854-T1856 VanDerWaalsContact C-N 3.33Å; V1854-T1856 PolarHBondContact O-N 3.41Å; T1856-K1860 WeakPolarHBondContact O-CG 3.42Å; T1856-K1860 PolarHBondContact O-N 3.12Å
1857V88.1Confident73.6Confident60 Ų6074.9 Ų74.936%0.36436%0.364SS..Hα-helixtrans-67.4-48.6171.8167.40000110.7K1853 V1854 A1859 K1860 S1861K1853-V1857 VanDerWaalsContact O-CG2 3.26Å; K1853-V1857 WeakPolarHBondContact O-CG2 3.42Å; K1853-V1857 PolarHBondContact O-N 2.7Å; V1854-V1857 PolarHBondContact O-N 2.6Å; V1857-A1859 VanDerWaalsContact C-N 3.29Å; V1857-A1859 PolarHBondContact O-N 3.2Å; V1857-K1860 PolarHBondContact O-N 3.37Å; V1857-K1860 VanDerWaalsContact O-N 3.16Å; V1857-S1861 PolarHBondContact O-N 3.33Å
1858L86.1Confident70.7Confident19 Ų1982.8 Ų82.810%0.09940%0.401CS..Hα-helixtrans-69.7-22.1-179.7-64.8173.4000113.9V1854 S1861 V1891 L1893V1854-L1858 HydrophobicContact CG1-CD1 3.81Å; V1854-L1858 HydrophobicContact CG1-CG 4.3Å; V1854-L1858 WeakPolarHBondContact O-CG 3.49Å; V1854-L1858 PolarHBondContact O-N 3.08Å; L1858-S1861 PolarHBondContact O-OG 3.02Å; L1858-V1891 HydrophobicContact CD2-CB 4.22Å; L1858-V1891 HydrophobicContact CD2-CG1 4.21Å; L1858-V1891 PolarHBondContact O-N 3.4Å; L1858-L1893 HydrophobicContact CD1-CD2 3.6Å; L1858-L1893 HydrophobicContact CD1-CG 4.14Å
1859A81.5Confident67.7Low41 Ų4187.7 Ų87.734%0.33944%0.436SS..Hα-helixtrans-77.5-25.1172.200000113.4D1855 V1857D1855-A1859 VanDerWaalsContact O-CB 3.28Å; D1855-A1859 WeakPolarHBondContact O-CB 3.38Å; D1855-A1859 PolarHBondContact O-N 3.15Å; V1857-A1859 VanDerWaalsContact C-N 3.29Å; V1857-A1859 PolarHBondContact O-N 3.2Å
1860K77.1Confident64.6Low172 Ų17292.2 Ų92.275%0.74846%0.461SS*.Hα-helixtrans-91.1-14.3-178.4-73.6175.1-179.8179.10114.1T1856 V1857 N1862T1856-K1860 WeakPolarHBondContact O-CG 3.42Å; T1856-K1860 PolarHBondContact O-N 3.12Å; V1857-K1860 PolarHBondContact O-N 3.37Å; V1857-K1860 VanDerWaalsContact O-N 3.16Å; K1860-N1862 PolarHBondContact O-N 3.02Å
1861S62.5Low61.7Low44 Ų44100.2 Ų100.231%0.30850%0.502SS..  trans-77.386.4-172.460.70000113.2V1857 L1858 V1891V1857-S1861 PolarHBondContact O-N 3.33Å; L1858-S1861 PolarHBondContact O-OG 3.02Å; S1861-V1891 WeakPolarHBondContact OG-CG2 3.3Å
1862N50.6Low58.7Low125 Ų125104.8 Ų104.867%0.66853%0.534SS*.  trans-89.5137.7155.5-74.5-28000108.8K1860 E1864K1860-N1862 PolarHBondContact O-N 3.02Å; N1862-E1864 PolarHBondContact O-N 3.28Å
1863Y44.4Very low55.9Low156 Ų156108.3 Ų108.361%0.61256%0.558SS**  trans-68.999.2175.4-89.5-88000110.5L1713 K1865L1713-Y1863 HydrophobicContact CD2-CD2 3.94Å; L1713-Y1863 HydrophobicContact CD2-CE2 4.21Å; Y1863-K1865 PolarHBondContact O-N 3.08Å; Y1863-K1865 VanDerWaalsContact O-N 3.13Å
1864E33.7Very low53Low196 Ų196112.7 Ų112.792%0.91658%0.584SS**  trans-65.7109.2168.3-73.2-171.4155.600110.1N1862N1862-E1864 PolarHBondContact O-N 3.28Å
1865K35Very low50.5Low200 Ų200120.8 Ų120.887%0.8763%0.626SS**  trans-82.3135.9161.6-79.5-176.5176.8177.70109.4Y1863Y1863-K1865 PolarHBondContact O-N 3.08Å; Y1863-K1865 VanDerWaalsContact O-N 3.13Å
1866S29.6Very low47.7Very low99 Ų99125 Ų12569%0.69266%0.656SS**  trans-59.5142.8-178.555.80000115.6
1867H29.1Very low44.8Very low166 Ų166130.7 Ų130.777%0.76969%0.685SS**  trans70.3130.2151.2-68.4-64.9000121.8
1868H32.5Very low42.3Very low169 Ų169133.1 Ų133.178%0.78270%0.704SS**  trans95118.3149.8-66.1-59000123
1869S32.4Very low39.5Very low113 Ų113141.3 Ų141.379%0.7974%0.739SS**  trans72124.7142.551.60000122
1870E28.5Very low37Very low182 Ų182148.5 Ų148.585%0.8577%0.765SS**  trans-54.6153.7170.4-55.9155.5140.700114.7
1871I33.3Very low34.6Very low170 Ų170148.9 Ų148.987%0.87278%0.775SS**  -170.7141.6114.2-92.7154.3000109.6
1872S30.3Very low33.3Very low100 Ų100149.3 Ų149.370%0.69979%0.786SS**  trans-99.8152.2-173.849.60000113.9
1873I35.3Very low32.5Very low165 Ų165153.4 Ų153.485%0.84680%0.801SS**  trans-141.4126.7153.2-60-175.4000109.1
1874D31.6Very low31.9Very low149 Ų149154 Ų15480%0.79781%0.809SS**  trans-81.8142.7176.9-72.9-55.5000113.3
1875I39.1Very low31.7Very low171 Ų171152.1 Ų152.188%0.87781%0.805SS**  trans-140.1125.3146.6-60.6-175.1000109.6
1876S32.5Very low31.9Very low93 Ų93147.1 Ų147.165%0.6579%0.792SS**  trans-104165.1169.954.50000111.8
1877N27.2Very low32.4Very low155 Ų155146.7 Ų146.783%0.82979%0.789SS**  trans93.191.1175.7-53.1-57.5000118.7
1878S35.2Very low33.6Very low111 Ų111145.6 Ų145.678%0.77679%0.785SS**  trans-172.7113.7135.528.60000109.3
1879K28.9Very low34.8Very low190 Ų190142 Ų14283%0.82678%0.775SS**  65.793.892.6-72.6-176.1176.5178.80114.8L1881K1879-L1881 PolarHBondContact O-N 3.39Å
1880Q28.7Very low36.6Very low192 Ų192137.3 Ų137.390%0.89774%0.744SS**  23.385.3128.8-64.7175.3-3400116.8
1881L27.2Very low38.9Very low181 Ų181129.4 Ų129.495%0.94871%0.708SS**  trans-179.8115.3155.4-104.4145.8000108.8K1879K1879-L1881 PolarHBondContact O-N 3.39Å
1882G33.8Very low41Very low52 Ų52124 Ų12454%0.53668%0.684SS.*  trans142.579.8174.700000114.5H1884G1882-H1884 PolarHBondContact O-CD2 3.5Å; G1882-H1884 VanDerWaalsContact O-CD2 3.31Å; G1882-H1884 PolarHBondContact O-N 2.92Å
1883E33.8Very low43.5Very low211 Ų211120.1 Ų120.199%0.98666%0.656SS**  trans-74.6111.1160.3-69-178.8142.300107.2
1884H32.7Very low45.9Very low169 Ų169114.4 Ų114.478%0.78263%0.628SS**  trans-101.1145.6-137-131.9-87.4000115.1G1882G1882-H1884 PolarHBondContact O-CD2 3.5Å; G1882-H1884 VanDerWaalsContact O-CD2 3.31Å; G1882-H1884 PolarHBondContact O-N 2.92Å
1885L28.3Very low48.7Very low157 Ų157107.5 Ų107.582%0.82259%0.591SS**  trans-55133.2175.1-107.262.1000113.3
1886P40.7Very low51.1Low94 Ų9499.8 Ų99.861%0.6155%0.552SS**  trans-86.9110.1168.332.6-30000111.1
1887S39Very low53.8Low90 Ų9097.4 Ų97.463%0.62953%0.532SS*.  trans-76.9135.2-175.353.10000114.1T1889S1887-T1889 PolarHBondContact O-N 2.96Å
1888E53.9Low56.8Low144 Ų14490.4 Ų90.467%0.67349%0.494SS*.  trans-80.154.6176.3-63.2-167.9135.200112.9
1889T57.9Low59.6Low93 Ų9385.1 Ų85.157%0.57146%0.458SS*.  trans-91.2125.9179.148.50000111.6S1887S1887-T1889 PolarHBondContact O-N 2.96Å
1890G70.1Confident62.6Low14 Ų1476.2 Ų76.214%0.14442%0.42CS..SBendtrans140.6-171.417700000113
1891V77.1Confident65.6Low16 Ų1667.3 Ų67.310%0.09738%0.378CS..PPolyproline II helixtrans-81.8126.7176174.60000109.9L1713 L1858 S1861 R1927L1713-V1891 HydrophobicContact CB-CG2 4.47Å; L1858-V1891 HydrophobicContact CD2-CB 4.22Å; L1858-V1891 HydrophobicContact CD2-CG1 4.21Å; L1858-V1891 PolarHBondContact O-N 3.4Å; S1861-V1891 WeakPolarHBondContact OG-CG2 3.3Å; V1891-R1927 PolarHBondContact O-NH1 3.37Å
1892P77.7Confident68.7Low56 Ų5658.7 Ų58.736%0.36433%0.333SS..PPolyproline II helixtrans-72.4145-17829.4-34.6000112.2L1713 P1715L1713-P1892 WeakPolarHBondContact O-CD 3.4Å; P1715-P1892 HydrophobicContact CB-CG 4.31Å; P1715-P1892 HydrophobicContact CG-CG 4.47Å
1893L83.8Confident71.5Confident20 Ų2056.2 Ų56.211%0.10531%0.308CS..PPolyproline II helixtrans-79.8133.1166.2-76.1163.7000109.6E1815 D1855 L1858 V1896 L1930E1815-L1893 HydrophobicContact CB-CD2 3.87Å; E1815-L1893 VanDerWaalsContact CD-CD2 3.46Å; E1815-L1893 HydrophobicContact CG-CD2 3.68Å; E1815-L1893 WeakPolarHBondContact OE2-CA 3.41Å; D1855-L1893 WeakPolarHBondContact OD1-CD1 3.25Å; L1858-L1893 HydrophobicContact CD1-CD2 3.6Å; L1858-L1893 HydrophobicContact CD1-CG 4.14Å; L1893-V1896 HydrophobicContact CB-CG2 3.76Å; L1893-V1896 VanDerWaalsContact O-CG2 3.24Å; L1893-V1896 WeakPolarHBondContact O-CG2 3.37Å; L1893-L1930 HydrophobicContact CD1-CD1 3.69Å; L1893-L1930 HydrophobicContact CD1-CG 4.29Å
1894V85.3Confident74.3Confident45 Ų4546.4 Ų46.427%0.27326%0.261SS..SBendtrans-86.3-45.7-176.7178.70000111.4P1715 A1719 L1720 E1815 V1896P1715-V1894 HydrophobicContact CB-CG2 3.67Å; P1715-V1894 HydrophobicContact CG-CG2 4.01Å; A1719-V1894 HydrophobicContact CB-CG2 4.13Å; L1720-V1894 HydrophobicContact CD2-CG1 3.99Å; L1720-V1894 HydrophobicContact CD2-CG2 3.82Å; L1720-V1894 HydrophobicContact CG-CG2 4.39Å; E1815-V1894 PolarHBondContact OE1-N 3.18Å; E1815-V1894 VanDerWaalsContact OE1-N 3.11Å; E1815-V1894 PolarHBondContact OE2-N 2.97Å; V1894-V1896 PolarHBondContact O-N 3.42Å
1895H89.3Confident77Confident4 Ų438.3 Ų38.32%0.01922%0.224CC..  trans-98.935.2-168.8-64.1-74.3000112.8A1719 F1723 E1815 L1819 D1897 T1898 I1899A1719-H1895 PolarHBondContact O-CD2 2.61Å; A1719-H1895 PolarHBondContact O-NE2 2.86Å; F1723-H1895 AromaticContact CD2-CE1 3.69Å; F1723-H1895 AromaticContact CD2-ND1 3.79Å; F1723-H1895 AromaticContact CE2-ND1 3.8Å; E1815-H1895 IonicContact OE1-CD2 2.85Å; E1815-H1895 PolarHBondContact OE1-N 3.06Å; L1819-H1895 HydrophobicContact CD1-CB 4.16Å; L1819-H1895 HydrophobicContact CD2-CB 4.44Å; H1895-D1897 PolarHBondContact O-N 3.43Å; H1895-T1898 WeakPolarHBondContact O-CA 3.46Å; H1895-T1898 VanDerWaalsContact O-CB 3.31Å; H1895-T1898 WeakPolarHBondContact O-CB 3.45Å; H1895-T1898 PolarHBondContact O-N 3.3Å; H1895-I1899 PolarHBondContact O-N 3.02Å
1896V89.3Confident80Confident8 Ų830.9 Ų30.95%0.04819%0.185CC..Hα-helixtrans-55.9-38.1-177.3-159.90000112.4L1893 V1894 A1900 L1930L1893-V1896 HydrophobicContact CB-CG2 3.76Å; L1893-V1896 VanDerWaalsContact O-CG2 3.24Å; L1893-V1896 WeakPolarHBondContact O-CG2 3.37Å; V1894-V1896 PolarHBondContact O-N 3.42Å; V1896-A1900 VanDerWaalsContact O-CB 3.29Å; V1896-A1900 WeakPolarHBondContact O-CB 3.5Å; V1896-A1900 PolarHBondContact O-N 2.92Å; V1896-L1930 HydrophobicContact CG1-CD2 3.56Å; V1896-L1930 HydrophobicContact CG1-CG 3.82Å
1897D90Very high82.3Confident44 Ų4427.6 Ų27.624%0.23516%0.161CC..Hα-helixtrans-67.2-42.6175.3-75.5-66.6000112.3R177 H1895 A1900 D1901 R1933R177-D1897 IonicContact NH1-OD1 2.78Å; H1895-D1897 PolarHBondContact O-N 3.43Å; D1897-A1900 PolarHBondContact O-N 3.21Å; D1897-D1901 WeakPolarHBondContact O-CB 3.4Å; D1897-D1901 PolarHBondContact O-N 2.65Å; D1897-R1933 IonicContact OD1-CZ 2.89Å; D1897-R1933 IonicContact OD1-NE 2.67Å; D1897-R1933 PolarHBondContact OD1-NE 3.11Å; D1897-R1933 IonicContact OD1-NH2 3.99Å; D1897-R1933 IonicContact OD2-CZ 3.3Å; D1897-R1933 IonicContact OD2-NE 2.64Å; D1897-R1933 PolarHBondContact OD2-NE 3.01Å; D1897-R1933 VanDerWaalsContact OD2-NE 3.11Å; D1897-R1933 IonicContact OD2-NH2 3.54Å; D1897-R1933 PolarHBondContact OD2-NH2 3.4Å
1898T91.1Very high84.7Confident7 Ų726.5 Ų26.54%0.04314%0.144CC..Hα-helixtrans-60-47.9175.6-52.50000111.5R219 P220 L223 F1723 H1895 L1902R219-T1898 HydrophobicContact CB-CG2 3.97Å; P220-T1898 HydrophobicContact CB-CG2 4.15Å; L223-T1898 HydrophobicContact CD1-CG2 3.95Å; F1723-T1898 HydrophobicContact CE2-CG2 4.08Å; F1723-T1898 HydrophobicContact CZ-CG2 3.93Å; H1895-T1898 WeakPolarHBondContact O-CA 3.46Å; H1895-T1898 VanDerWaalsContact O-CB 3.31Å; H1895-T1898 WeakPolarHBondContact O-CB 3.45Å; H1895-T1898 PolarHBondContact O-N 3.3Å; T1898-L1902 VanDerWaalsContact O-CB 3.31Å; T1898-L1902 WeakPolarHBondContact O-CB 3.09Å; T1898-L1902 PolarHBondContact O-N 3.48Å
1899I92.9Very high86.3Confident1 Ų122 Ų221%0.00512%0.123CC..Hα-helixtrans-64-43179.2-63.3168.6000110L1818 L1819 V1851 H1895 L1902 L1903L1818-I1899 HydrophobicContact CD2-CD1 4.21Å; L1819-I1899 HydrophobicContact CD2-CG1 4.07Å; V1851-I1899 HydrophobicContact CG2-CG2 4.37Å; H1895-I1899 PolarHBondContact O-N 3.02Å; I1899-L1902 PolarHBondContact O-N 2.73Å; I1899-L1903 HydrophobicContact CG2-CD1 4.07Å; I1899-L1903 WeakPolarHBondContact O-CG 3.37Å; I1899-L1903 PolarHBondContact O-N 2.99Å
1900A92Very high87.7Confident3 Ų318.6 Ų18.63%0.02510%0.1CC..Hα-helixtrans-65.4-45.8178.800000112.7V1896 D1897 L1902 L1903 Y1904 R1933 L1934V1896-A1900 VanDerWaalsContact O-CB 3.29Å; V1896-A1900 WeakPolarHBondContact O-CB 3.5Å; V1896-A1900 PolarHBondContact O-N 2.92Å; D1897-A1900 PolarHBondContact O-N 3.21Å; A1900-L1902 VanDerWaalsContact C-N 3.34Å; A1900-L1902 PolarHBondContact O-N 2.98Å; A1900-L1903 PolarHBondContact O-N 3.06Å; A1900-Y1904 WeakPolarHBondContact O-CD2 3.19Å; A1900-Y1904 PolarHBondContact O-N 3.45Å; A1900-R1933 HydrophobicContact CB-CB 3.89Å; A1900-L1934 HydrophobicContact CB-CD2 3.91Å; A1900-L1934 HydrophobicContact CB-CG 4.48Å
1901D92Very high88.5Confident5 Ų518.9 Ų18.93%0.02710%0.099CC..Hα-helixtrans-65.5-36.5178.4-73.6-25.6000112.2R177 F217 P220 D1897 Y1904 H1905R177-D1901 IonicContact CZ-OD2 2.74Å; R177-D1901 IonicContact NH1-OD1 3.59Å; R177-D1901 IonicContact NH1-OD2 3.65Å; R177-D1901 PolarHBondContact NH1-OD2 2.79Å; R177-D1901 IonicContact NH2-OD2 3.26Å; R177-D1901 PolarHBondContact NH2-OD2 3.28Å; F217-D1901 HydrophobicContact CD1-CB 4.47Å; F217-D1901 HydrophobicContact CE1-CB 4.16Å; F217-D1901 WeakPolarHBondContact CE1-OD2 3.35Å; P220-D1901 HydrophobicContact CB-CB 4.29Å; P220-D1901 HydrophobicContact CG-CB 4.09Å; D1897-D1901 WeakPolarHBondContact O-CB 3.4Å; D1897-D1901 PolarHBondContact O-N 2.65Å; D1901-Y1904 PolarHBondContact O-N 3.48Å; D1901-H1905 WeakPolarHBondContact O-CB 3.15Å; D1901-H1905 PolarHBondContact O-N 2.86Å
1902L91.8Very high88.9Confident0 Ų019.7 Ų19.70%011%0.111CC..Hα-helixtrans-63.4-46.8173.5-178.563.4000111.6P220 L223 L224 F1822 T1898 I1899 A1900 Y1904 H1905 I1906P220-L1902 HydrophobicContact CB-CB 4.48Å; L223-L1902 HydrophobicContact CB-CD2 4.41Å; L223-L1902 HydrophobicContact CD1-CD2 3.89Å; L224-L1902 HydrophobicContact CD1-CD1 4.18Å; L224-L1902 HydrophobicContact CD2-CD1 3.61Å; L224-L1902 HydrophobicContact CG-CD1 3.65Å; F1822-L1902 HydrophobicContact CB-CD2 3.82Å; F1822-L1902 HydrophobicContact CD1-CD2 3.43Å; F1822-L1902 VanDerWaalsContact CD1-CD2 3.43Å; F1822-L1902 HydrophobicContact CD2-CD2 4.16Å; F1822-L1902 HydrophobicContact CE1-CD2 3.95Å; F1822-L1902 HydrophobicContact CG-CD2 3.56Å; T1898-L1902 VanDerWaalsContact O-CB 3.31Å; T1898-L1902 WeakPolarHBondContact O-CB 3.09Å; T1898-L1902 PolarHBondContact O-N 3.48Å; I1899-L1902 PolarHBondContact O-N 2.73Å; A1900-L1902 VanDerWaalsContact C-N 3.34Å; A1900-L1902 PolarHBondContact O-N 2.98Å; L1902-Y1904 VanDerWaalsContact C-N 3.34Å; L1902-Y1904 PolarHBondContact O-N 3.32Å; L1902-H1905 WeakPolarHBondContact O-CB 3.38Å; L1902-H1905 PolarHBondContact O-N 3.24Å; L1902-I1906 HydrophobicContact CD1-CD1 4.34Å; L1902-I1906 HydrophobicContact CG-CD1 4.07Å; L1902-I1906 WeakPolarHBondContact O-CG1 3.29Å; L1902-I1906 PolarHBondContact O-N 3.48Å
1903L92.8Very high89.3Confident0 Ų022 Ų220%012%0.12CC..Hα-helixtrans-65.9-34.6177.1-69174.1000112.3F1822 Y1848 I1899 A1900 K1907 L1934F1822-L1903 HydrophobicContact CZ-CD2 4.49Å; Y1848-L1903 HydrophobicContact CE1-CD1 3.97Å; Y1848-L1903 HydrophobicContact CE1-CD2 4.16Å; Y1848-L1903 HydrophobicContact CE2-CD2 4.16Å; I1899-L1903 HydrophobicContact CG2-CD1 4.07Å; I1899-L1903 WeakPolarHBondContact O-CG 3.37Å; I1899-L1903 PolarHBondContact O-N 2.99Å; A1900-L1903 PolarHBondContact O-N 3.06Å; L1903-K1907 WeakPolarHBondContact O-CB 3.36Å; L1903-K1907 PolarHBondContact O-N 3.05Å; L1903-L1934 HydrophobicContact CB-CD2 4.32Å; L1903-L1934 HydrophobicContact CD1-CD1 4.29Å; L1903-L1934 HydrophobicContact CD1-CD2 4.11Å
1904Y91.8Very high89.4Confident4 Ų423.5 Ų23.52%0.01614%0.14CC..Hα-helixtrans-66.1-41.8170.5-77.5-57.6000112.3A1900 D1901 L1902 K1907 Y1908 R1933 L1934 F1936 I1937A1900-Y1904 WeakPolarHBondContact O-CD2 3.19Å; A1900-Y1904 PolarHBondContact O-N 3.45Å; D1901-Y1904 PolarHBondContact O-N 3.48Å; L1902-Y1904 VanDerWaalsContact C-N 3.34Å; L1902-Y1904 PolarHBondContact O-N 3.32Å; Y1904-K1907 PolarHBondContact O-N 3.11Å; Y1904-Y1908 HydrophobicContact CD1-CD2 4.47Å; Y1904-Y1908 AromaticContact CD1-CE2 3.59Å; Y1904-Y1908 HydrophobicContact CD1-CE2 3.59Å; Y1904-Y1908 HydrophobicContact CE1-CE2 4.47Å; Y1904-Y1908 HydrophobicContact CG-CE2 4.22Å; Y1904-Y1908 WeakPolarHBondContact O-CD2 3.44Å; Y1904-Y1908 PolarHBondContact O-N 2.81Å; Y1904-R1933 WeakPolarHBondContact CE2-O 3.07Å; Y1904-R1933 PolarHBondContact OH-O 3.15Å; Y1904-L1934 VanDerWaalsContact OH-C 3.31Å; Y1904-L1934 WeakPolarHBondContact OH-CA 3.12Å; Y1904-F1936 HydrophobicContact CE1-CB 3.95Å; Y1904-F1936 WeakPolarHBondContact OH-CB 3.17Å; Y1904-F1936 PolarHBondContact OH-N 3.16Å; Y1904-F1936 VanDerWaalsContact OH-N 3.11Å; Y1904-I1937 HydrophobicContact CD1-CD1 3.54Å; Y1904-I1937 HydrophobicContact CD1-CG1 4.41Å; Y1904-I1937 HydrophobicContact CE1-CD1 3.48Å; Y1904-I1937 VanDerWaalsContact CE1-CD1 3.48Å; Y1904-I1937 HydrophobicContact CE1-CG1 3.85Å; Y1904-I1937 HydrophobicContact CG-CD1 4.31Å
1905H91.1Very high89.5Confident0 Ų021.8 Ų21.80%013%0.13CC..Hα-helixtrans-58.8-49.4173.5176102.7000110.7Y185 L224 K259 M262 Y264 D1901 L1902 K1907 Y1908 M1909 Y1910Y185-H1905 HydrophobicContact CD2-CB 4.35Å; Y185-H1905 HydrophobicContact CE2-CB 3.82Å; Y185-H1905 AromaticContact CE2-ND1 3.89Å; L224-H1905 HydrophobicContact CD1-CB 4.45Å; K259-H1905 PolarHBondContact O-CE1 3.38Å; M262-H1905 HydrophobicContact CE-CB 4.45Å; Y264-H1905 PolarHBondContact OH-CE1 3.45Å; D1901-H1905 WeakPolarHBondContact O-CB 3.15Å; D1901-H1905 PolarHBondContact O-N 2.86Å; L1902-H1905 WeakPolarHBondContact O-CB 3.38Å; L1902-H1905 PolarHBondContact O-N 3.24Å; H1905-K1907 PolarHBondContact O-N 3.12Å; H1905-Y1908 PolarHBondContact O-N 3Å; H1905-M1909 VanDerWaalsContact O-CB 3.3Å; H1905-M1909 WeakPolarHBondContact O-CB 3.37Å; H1905-M1909 WeakPolarHBondContact O-CG 3.39Å; H1905-M1909 PolarHBondContact O-N 3.27Å; H1905-Y1910 AromaticContact CD2-CE2 3.83Å; H1905-Y1910 AromaticContact NE2-CE2 3.54Å; H1905-Y1910 AromaticContact NE2-CZ 3.94Å
1906I90.7Very high89.3Confident1 Ų123.4 Ų23.41%0.00514%0.139CC..Hα-helixtrans-58.9-46.7178.6-69.6166.1000111.5M1829 T1844 L1847 L1902 Y1910 V1911M1829-I1906 HydrophobicContact CE-CB 4.39Å; M1829-I1906 HydrophobicContact CE-CD1 3.98Å; M1829-I1906 HydrophobicContact CE-CG1 3.88Å; M1829-I1906 HydrophobicContact CE-CG2 3.63Å; M1829-I1906 HydrophobicContact SD-CD1 3.87Å; M1829-I1906 HydrophobicContact SD-CG1 3.96Å; T1844-I1906 HydrophobicContact CG2-CG2 3.81Å; L1847-I1906 HydrophobicContact CD1-CD1 4.35Å; L1902-I1906 HydrophobicContact CD1-CD1 4.34Å; L1902-I1906 HydrophobicContact CG-CD1 4.07Å; L1902-I1906 WeakPolarHBondContact O-CG1 3.29Å; L1902-I1906 PolarHBondContact O-N 3.48Å; I1906-Y1910 PolarHBondContact O-N 3.38Å; I1906-Y1910 VanDerWaalsContact O-N 3.13Å; I1906-V1911 HydrophobicContact CG2-CG2 4.25Å; I1906-V1911 PolarHBondContact O-N 3.43Å
1907K89.7Confident89.1Confident24 Ų2429.9 Ų29.910%0.10417%0.173CC..Iπ-helixtrans-57-53.9175.7177.9-177.6170.6-179.30111.3L1903 Y1904 H1905 G1912 F1936 I1937L1903-K1907 WeakPolarHBondContact O-CB 3.36Å; L1903-K1907 PolarHBondContact O-N 3.05Å; Y1904-K1907 PolarHBondContact O-N 3.11Å; H1905-K1907 PolarHBondContact O-N 3.12Å; K1907-G1912 WeakPolarHBondContact O-CA 3.48Å; K1907-G1912 PolarHBondContact O-N 2.91Å; K1907-F1936 PolarHBondContact NZ-O 3.47Å; K1907-F1936 VanDerWaalsContact NZ-O 3.1Å; K1907-I1937 HydrophobicContact CD-CD1 3.92Å; K1907-I1937 PolarHBondContact NZ-O 3.43Å
1908Y89Confident88.9Confident67 Ų6730.9 Ų30.926%0.26318%0.176SC..Iπ-helixtrans-80.5-27.8-170-63.9-54.1000114.1Y185 F186 Y1904 H1905Y185-Y1908 AromaticContact CD1-CD2 3.96Å; Y185-Y1908 HydrophobicContact CD1-CD2 3.96Å; Y185-Y1908 HydrophobicContact CE1-CD2 4.08Å; F186-Y1908 HydrophobicContact CE1-CD2 4.16Å; F186-Y1908 HydrophobicContact CE1-CE2 4.08Å; F186-Y1908 HydrophobicContact CZ-CD2 4.28Å; F186-Y1908 HydrophobicContact CZ-CE1 4.05Å; F186-Y1908 AromaticContact CZ-CE2 3.79Å; F186-Y1908 HydrophobicContact CZ-CE2 3.79Å; F186-Y1908 AromaticContact CZ-CZ 3.68Å; Y1904-Y1908 HydrophobicContact CD1-CD2 4.47Å; Y1904-Y1908 AromaticContact CD1-CE2 3.59Å; Y1904-Y1908 HydrophobicContact CD1-CE2 3.59Å; Y1904-Y1908 HydrophobicContact CE1-CE2 4.47Å; Y1904-Y1908 HydrophobicContact CG-CE2 4.22Å; Y1904-Y1908 WeakPolarHBondContact O-CD2 3.44Å; Y1904-Y1908 PolarHBondContact O-N 2.81Å; H1905-Y1908 PolarHBondContact O-N 3Å
1909M87.4Confident88.7Confident50 Ų5030.6 Ų30.625%0.24617%0.174CC..Iπ-helixtrans-95-29.7-176.6-62.3-61.296.300114.7Y185 G260 H1905Y185-M1909 WeakPolarHBondContact OH-CE 3.21Å; Y185-M1909 WeakPolarHBondContact OH-CG 3.03Å; Y185-M1909 PolarHBondContact OH-SD 2.99Å; G260-M1909 WeakPolarHBondContact CA-SD 3.18Å; H1905-M1909 VanDerWaalsContact O-CB 3.3Å; H1905-M1909 WeakPolarHBondContact O-CB 3.37Å; H1905-M1909 WeakPolarHBondContact O-CG 3.39Å; H1905-M1909 PolarHBondContact O-N 3.27Å
1910Y86.7Confident88.4Confident22 Ų2238.7 Ų38.79%0.08621%0.205CC..Iπ-helixtrans-122.2-51.5-167-63.1-51.4000115K259 M1829 H1833 L1840 H1905 I1906K259-Y1910 HydrophobicContact CB-CE1 4.33Å; K259-Y1910 HydrophobicContact CD-CE1 4.37Å; M1829-Y1910 HydrophobicContact CB-CD2 4.25Å; M1829-Y1910 HydrophobicContact CB-CE2 4.16Å; H1833-Y1910 HydrophobicContact CB-CD1 3.89Å; H1833-Y1910 HydrophobicContact CB-CE1 4.5Å; H1833-Y1910 PolarHBondContact CE1-O 2.86Å; H1833-Y1910 AromaticContact CG-CD1 3.86Å; H1833-Y1910 PolarHBondContact ND1-O 3.05Å; H1833-Y1910 VanDerWaalsContact ND1-O 3.16Å; L1840-Y1910 HydrophobicContact CD2-CG 4.38Å; H1905-Y1910 AromaticContact CD2-CE2 3.83Å; H1905-Y1910 AromaticContact NE2-CE2 3.54Å; H1905-Y1910 AromaticContact NE2-CZ 3.94Å; I1906-Y1910 PolarHBondContact O-N 3.38Å; I1906-Y1910 VanDerWaalsContact O-N 3.13Å
1911V87Confident88.3Confident19 Ų1942 Ų4212%0.11523%0.226CC..Iπ-helixtrans-105.4-26.1-165175.70000113.4L1840 T1844 I1906 N1913 G1914 V1915L1840-V1911 HydrophobicContact CD2-CG2 4.43Å; L1840-V1911 HydrophobicContact CG-CG2 4.24Å; T1844-V1911 HydrophobicContact CG2-CG2 4.19Å; T1844-V1911 WeakPolarHBondContact OG1-CG2 3.33Å; I1906-V1911 HydrophobicContact CG2-CG2 4.25Å; I1906-V1911 PolarHBondContact O-N 3.43Å; V1911-N1913 PolarHBondContact O-N 3.33Å; V1911-N1913 VanDerWaalsContact O-N 3.14Å; V1911-G1914 PolarHBondContact O-N 3.47Å; V1911-V1915 HydrophobicContact CG1-CB 3.73Å; V1911-V1915 HydrophobicContact CG1-CG1 3.71Å
1912G86.5Confident88.1Confident34 Ų3443 Ų4335%0.35123%0.231SC..THydrogen-bonded Turntrans57.7-116.9-17500000111.4K1907K1907-G1912 WeakPolarHBondContact O-CA 3.48Å; K1907-G1912 PolarHBondContact O-N 2.91Å
1913N86.2Confident87.8Confident104 Ų10443.7 Ų43.756%0.55624%0.235SC*.THydrogen-bonded Turntrans-100.7-0.6179.5-70.9-14.8000113.4V1911 V1915 L1916V1911-N1913 PolarHBondContact O-N 3.33Å; V1911-N1913 VanDerWaalsContact O-N 3.14Å; N1913-V1915 PolarHBondContact O-N 2.95Å; N1913-V1915 VanDerWaalsContact O-N 3.14Å; N1913-L1916 HydrophobicContact CB-CD1 3.65Å; N1913-L1916 HydrophobicContact CB-CG 4.22Å; N1913-L1916 WeakPolarHBondContact O-CB 3.13Å; N1913-L1916 VanDerWaalsContact O-CG 3.32Å; N1913-L1916 WeakPolarHBondContact O-CG 3.45Å; N1913-L1916 PolarHBondContact O-N 3.11Å; N1913-L1916 VanDerWaalsContact O-N 3.17Å
1914G84.1Confident87.5Confident51 Ų5147.7 Ų47.753%0.52626%0.261SS..THydrogen-bonded Turntrans-64.7-20-16900000116V1841 V1911V1841-G1914 WeakPolarHBondContact CG1-O 3.43Å; V1911-G1914 PolarHBondContact O-N 3.47Å
1915V88.1Confident87.2Confident10 Ų1052.6 Ų52.66%0.06128%0.284CS..THydrogen-bonded Turntrans-102.92.2-179.377.90000113.2V1841 T1844 A1845 Y1848 V1911 N1913 D1917 Q1918 V1919V1841-V1915 HydrophobicContact CG1-CB 4.1Å; V1841-V1915 HydrophobicContact CG1-CG2 4.16Å; T1844-V1915 HydrophobicContact CG2-CG1 4.18Å; T1844-V1915 HydrophobicContact CG2-CG2 4.32Å; A1845-V1915 HydrophobicContact CB-CG2 3.92Å; Y1848-V1915 HydrophobicContact CE2-CG1 4.36Å; V1911-V1915 HydrophobicContact CG1-CB 3.73Å; V1911-V1915 HydrophobicContact CG1-CG1 3.71Å; N1913-V1915 PolarHBondContact O-N 2.95Å; N1913-V1915 VanDerWaalsContact O-N 3.14Å; V1915-D1917 VanDerWaalsContact C-N 3.33Å; V1915-D1917 PolarHBondContact O-N 3.22Å; V1915-Q1918 HydrophobicContact CG2-CB 4.33Å; V1915-Q1918 PolarHBondContact O-N 2.91Å; V1915-Q1918 VanDerWaalsContact O-N 3.16Å; V1915-V1919 HydrophobicContact CB-CG2 4.4Å; V1915-V1919 HydrophobicContact CG1-CG2 3.91Å; V1915-V1919 HydrophobicContact CG2-CG2 3.89Å; V1915-V1919 WeakPolarHBondContact O-CG2 3.29Å; V1915-V1919 PolarHBondContact O-N 3.05Å; V1915-V1919 VanDerWaalsContact O-N 3.09Å
1916L85.1Confident87Confident38 Ų3853.1 Ų53.120%0.19929%0.287CS..Hα-helixtrans-57.3-42.3-171.4-77.6178000113.2N1913 Q1918 V1919 R1920 L1938N1913-L1916 HydrophobicContact CB-CD1 3.65Å; N1913-L1916 HydrophobicContact CB-CG 4.22Å; N1913-L1916 WeakPolarHBondContact O-CB 3.13Å; N1913-L1916 VanDerWaalsContact O-CG 3.32Å; N1913-L1916 WeakPolarHBondContact O-CG 3.45Å; N1913-L1916 PolarHBondContact O-N 3.11Å; N1913-L1916 VanDerWaalsContact O-N 3.17Å; L1916-Q1918 VanDerWaalsContact C-N 3.3Å; L1916-Q1918 PolarHBondContact O-N 3.31Å; L1916-V1919 PolarHBondContact O-N 2.72Å; L1916-R1920 VanDerWaalsContact O-CB 3.28Å; L1916-R1920 WeakPolarHBondContact O-CB 3.47Å; L1916-R1920 PolarHBondContact O-N 3.14Å; L1916-L1938 HydrophobicContact CD2-CD2 4.31Å
1917D85.1Confident86.8Confident144 Ų14455 Ų5577%0.7729%0.294SS*.Hα-helixtrans-66-33.2-177.6-62.8-33.6000112.4V1915 P1921V1915-D1917 VanDerWaalsContact C-N 3.33Å; V1915-D1917 PolarHBondContact O-N 3.22Å; D1917-P1921 WeakPolarHBondContact O-CD 3.37Å
1918Q86.1Confident86.4Confident65 Ų6556 Ų5630%0.30430%0.303SS..Hα-helixtrans-77.8-27.9176.3-54.9-163.946.800112.5A1845 R1849 V1915 L1916A1845-Q1918 HydrophobicContact CB-CB 4.12Å; R1849-Q1918 VanDerWaalsContact NH2-OE1 3.11Å; V1915-Q1918 HydrophobicContact CG2-CB 4.33Å; V1915-Q1918 PolarHBondContact O-N 2.91Å; V1915-Q1918 VanDerWaalsContact O-N 3.16Å; L1916-Q1918 VanDerWaalsContact C-N 3.3Å; L1916-Q1918 PolarHBondContact O-N 3.31Å
1919V86.8Confident86Confident1 Ų154.5 Ų54.51%0.00630%0.302CS..Hα-helixtrans-95-29.5-174171.40000113.5Y1848 V1915 L1916 P1921 L1922 L1923Y1848-V1919 HydrophobicContact CD1-CG1 3.79Å; Y1848-V1919 HydrophobicContact CD1-CG2 4.08Å; Y1848-V1919 HydrophobicContact CD2-CB 4.48Å; Y1848-V1919 HydrophobicContact CD2-CG1 4.35Å; Y1848-V1919 HydrophobicContact CD2-CG2 3.29Å; Y1848-V1919 HydrophobicContact CE1-CG1 3.68Å; Y1848-V1919 HydrophobicContact CE1-CG2 4.37Å; Y1848-V1919 HydrophobicContact CE2-CG1 4.26Å; Y1848-V1919 HydrophobicContact CE2-CG2 3.64Å; Y1848-V1919 HydrophobicContact CG-CB 4.48Å; Y1848-V1919 HydrophobicContact CG-CG1 4.13Å; Y1848-V1919 HydrophobicContact CG-CG2 3.53Å; V1915-V1919 HydrophobicContact CB-CG2 4.4Å; V1915-V1919 HydrophobicContact CG1-CG2 3.91Å; V1915-V1919 HydrophobicContact CG2-CG2 3.89Å; V1915-V1919 WeakPolarHBondContact O-CG2 3.29Å; V1915-V1919 PolarHBondContact O-N 3.05Å; V1915-V1919 VanDerWaalsContact O-N 3.09Å; L1916-V1919 PolarHBondContact O-N 2.72Å; V1919-P1921 VanDerWaalsContact C-CD 3.46Å; V1919-L1922 PolarHBondContact O-N 3.24Å; V1919-L1923 HydrophobicContact CG1-CD1 3.84Å; V1919-L1923 HydrophobicContact CG1-CD2 4.16Å; V1919-L1923 HydrophobicContact CG1-CG 3.74Å; V1919-L1923 PolarHBondContact O-N 3.1Å
1920R86.9Confident85.9Confident170 Ų17052.1 Ų52.164%0.64229%0.29SS*.THydrogen-bonded Turntrans-51-41.3177.6-168.2176.2-167.6168.24.8114.5L1916 L1922 P1924L1916-R1920 VanDerWaalsContact O-CB 3.28Å; L1916-R1920 WeakPolarHBondContact O-CB 3.47Å; L1916-R1920 PolarHBondContact O-N 3.14Å; R1920-L1922 VanDerWaalsContact C-N 3.32Å; R1920-L1922 PolarHBondContact O-N 3.05Å; R1920-P1924 WeakPolarHBondContact O-CD 3.43Å
1921P88.7Confident85.9Confident73 Ų7356.2 Ų56.247%0.47431%0.305SS..THydrogen-bonded Turntrans-72.7-20.217627.9-35.4000114.2D1917 V1919 Q1925D1917-P1921 WeakPolarHBondContact O-CD 3.37Å; V1919-P1921 VanDerWaalsContact C-CD 3.46Å; P1921-Q1925 PolarHBondContact O-NE2 2.77Å
1922L88.2Confident85.7Confident26 Ų2659.4 Ų59.414%0.13632%0.318CS..THydrogen-bonded Turntrans-86-42.4-175.5-59.9176.1000112.7R1849 W1852 V1919 R1920 P1924 Q1925R1849-L1922 HydrophobicContact CG-CD1 4.42Å; W1852-L1922 HydrophobicContact CB-CD2 4.47Å; W1852-L1922 HydrophobicContact CD2-CD2 4.35Å; W1852-L1922 HydrophobicContact CG-CD2 4.16Å; V1919-L1922 PolarHBondContact O-N 3.24Å; R1920-L1922 VanDerWaalsContact C-N 3.32Å; R1920-L1922 PolarHBondContact O-N 3.05Å; L1922-P1924 VanDerWaalsContact C-CD 3.49Å; L1922-Q1925 WeakPolarHBondContact O-CB 3.46Å; L1922-Q1925 PolarHBondContact O-N 2.74Å
1923L86.3Confident85.7Confident15 Ų1561 Ų618%0.07931%0.313CS..G310 helixtrans-56.9-39.1-174.1-67.4174.1000115.5Y1848 V1919 Q1925 L1926 L1934 I1937 L1938Y1848-L1923 HydrophobicContact CE1-CD2 4.33Å; V1919-L1923 HydrophobicContact CG1-CD1 3.84Å; V1919-L1923 HydrophobicContact CG1-CD2 4.16Å; V1919-L1923 HydrophobicContact CG1-CG 3.74Å; V1919-L1923 PolarHBondContact O-N 3.1Å; L1923-Q1925 PolarHBondContact O-N 2.75Å; L1923-L1926 HydrophobicContact CD2-CD1 4.03Å; L1923-L1926 PolarHBondContact O-N 2.81Å; L1923-L1934 HydrophobicContact CD2-CD1 4.29Å; L1923-I1937 HydrophobicContact CD1-CB 4.24Å; L1923-I1937 HydrophobicContact CD1-CG2 3.82Å; L1923-L1938 HydrophobicContact CD1-CD1 4.09Å; L1923-L1938 HydrophobicContact CD1-CD2 4.06Å; L1923-L1938 HydrophobicContact CD1-CG 3.8Å
1924P85.2Confident85.8Confident84 Ų8456.4 Ų56.455%0.54529%0.289SS..G310 helixtrans-65.6-22.3177.8-22.735.2000113.9R1920 L1922R1920-P1924 WeakPolarHBondContact O-CD 3.43Å; L1922-P1924 VanDerWaalsContact C-CD 3.49Å
1925Q86.5Confident85.9Confident106 Ų10658.2 Ų58.250%0.49528%0.282SS..G310 helixtrans-84.1-10.9-175.9-50.5-174.131.800113.3P1921 L1922 L1923P1921-Q1925 PolarHBondContact O-NE2 2.77Å; L1922-Q1925 WeakPolarHBondContact O-CB 3.46Å; L1922-Q1925 PolarHBondContact O-N 2.74Å; L1923-Q1925 PolarHBondContact O-N 2.75Å
1926L87.8Confident85.8Confident11 Ų1158.5 Ų58.56%0.05828%0.283CS..SBendtrans-77.6153.1179.8-58.8176.6000112.1V1851 W1852 D1855 L1923 L1930 R1931 L1934V1851-L1926 HydrophobicContact CG1-CD2 4.41Å; W1852-L1926 HydrophobicContact CB-CD2 4.49Å; D1855-L1926 HydrophobicContact CB-CD2 4.19Å; D1855-L1926 WeakPolarHBondContact OD2-CA 3.07Å; L1923-L1926 HydrophobicContact CD2-CD1 4.03Å; L1923-L1926 PolarHBondContact O-N 2.81Å; L1926-L1930 HydrophobicContact CB-CB 4.22Å; L1926-L1930 HydrophobicContact CB-CD1 4.42Å; L1926-L1930 HydrophobicContact CD2-CD1 4.42Å; L1926-R1931 HydrophobicContact CB-CG 4.11Å; L1926-R1931 WeakPolarHBondContact O-CD 3.21Å; L1926-R1931 WeakPolarHBondContact O-CG 3.28Å; L1926-R1931 PolarHBondContact O-NE 2.97Å; L1926-L1934 HydrophobicContact CD1-CD1 4.02Å
1927R85.1Confident85.8Confident42 Ų4256.9 Ų56.916%0.15827%0.274CS..  trans-60.3154.1177.2-74.6-175.9-68.5177.7-7.4113.8D1855 V1891 S1929 L1930 R1931D1855-R1927 IonicContact OD1-CZ 2.85Å; D1855-R1927 IonicContact OD1-NE 3.13Å; D1855-R1927 PolarHBondContact OD1-NE 2.85Å; D1855-R1927 IonicContact OD1-NH2 3.44Å; D1855-R1927 PolarHBondContact OD1-NH2 3.32Å; D1855-R1927 PolarHBondContact OD2-N 2.74Å; D1855-R1927 IonicContact OD2-NE 3.9Å; V1891-R1927 PolarHBondContact O-NH1 3.37Å; R1927-S1929 VanDerWaalsContact C-N 3.26Å; R1927-S1929 PolarHBondContact O-N 3.41Å; R1927-S1929 VanDerWaalsContact O-N 3.15Å; R1927-L1930 PolarHBondContact O-N 3.23Å; R1927-R1931 PolarHBondContact O-N 2.95Å
1928P81Confident85.5Confident45 Ų4553.1 Ų53.129%0.29225%0.254SS..Hα-helixtrans-52.7-37.1-176.4-25.633000114.9R1931 K1932P1928-R1931 PolarHBondContact O-N 2.95Å; P1928-K1932 WeakPolarHBondContact O-CB 3.39Å; P1928-K1932 PolarHBondContact O-N 3.31Å
1929S81.5Confident84.6Confident35 Ų3554.5 Ų54.525%0.24527%0.268CS..Hα-helixtrans-62.9-40.3-179.857.40000113.7R1927 R1933R1927-S1929 VanDerWaalsContact C-N 3.26Å; R1927-S1929 PolarHBondContact O-N 3.41Å; R1927-S1929 VanDerWaalsContact O-N 3.15Å; S1929-R1933 PolarHBondContact O-NH1 3.32Å
1930L85.3Confident83.3Confident0 Ų060.3 Ų60.30%030%0.295CS..Hα-helixtrans-70.8-48.3170.9-87.1167.7000110.8D1855 L1893 V1896 L1926 R1927 K1932 R1933 L1934D1855-L1930 HydrophobicContact CB-CD1 4.38Å; L1893-L1930 HydrophobicContact CD1-CD1 3.69Å; L1893-L1930 HydrophobicContact CD1-CG 4.29Å; V1896-L1930 HydrophobicContact CG1-CD2 3.56Å; V1896-L1930 HydrophobicContact CG1-CG 3.82Å; L1926-L1930 HydrophobicContact CB-CB 4.22Å; L1926-L1930 HydrophobicContact CB-CD1 4.42Å; L1926-L1930 HydrophobicContact CD2-CD1 4.42Å; R1927-L1930 PolarHBondContact O-N 3.23Å; L1930-K1932 VanDerWaalsContact C-N 3.32Å; L1930-K1932 PolarHBondContact O-N 2.79Å; L1930-R1933 PolarHBondContact O-N 3.16Å; L1930-R1933 VanDerWaalsContact O-N 3.08Å; L1930-L1934 HydrophobicContact CD2-CD1 4.24Å; L1930-L1934 WeakPolarHBondContact O-CB 3.4Å; L1930-L1934 PolarHBondContact O-N 3.43Å
1931R85.8Confident81.6Confident107 Ų10758.6 Ų58.640%0.40430%0.299SS..Hα-helixtrans-57.7-40.6-179.4-69.9-171.2-66.4156.84.2112.6L1926 R1927 P1928 R1933 L1934 K1935L1926-R1931 HydrophobicContact CB-CG 4.11Å; L1926-R1931 WeakPolarHBondContact O-CD 3.21Å; L1926-R1931 WeakPolarHBondContact O-CG 3.28Å; L1926-R1931 PolarHBondContact O-NE 2.97Å; R1927-R1931 PolarHBondContact O-N 2.95Å; P1928-R1931 PolarHBondContact O-N 2.95Å; R1931-R1933 VanDerWaalsContact C-N 3.31Å; R1931-R1933 PolarHBondContact O-N 3.2Å; R1931-L1934 PolarHBondContact O-N 3.27Å; R1931-K1935 PolarHBondContact O-N 2.91Å
1932K83.8Confident79.3Confident87 Ų8761 Ų6138%0.37832%0.317SS..Hα-helixtrans-61.9-35.2177-177-179.9170.3-1700112.8E178 P1928 L1930 K1935E178-K1932 WeakPolarHBondContact O-CE 3.06Å; E178-K1932 PolarHBondContact O-NZ 3.46Å; P1928-K1932 WeakPolarHBondContact O-CB 3.39Å; P1928-K1932 PolarHBondContact O-N 3.31Å; L1930-K1932 VanDerWaalsContact C-N 3.32Å; L1930-K1932 PolarHBondContact O-N 2.79Å; K1932-K1935 WeakPolarHBondContact O-CD 3.39Å; K1932-K1935 WeakPolarHBondContact O-CE 3.06Å; K1932-K1935 VanDerWaalsContact O-CG 3.28Å; K1932-K1935 WeakPolarHBondContact O-CG 3.28Å
1933R87Confident76.8Confident67 Ų6764.2 Ų64.225%0.25334%0.342SS..Hα-helixtrans-82.5-39.9178.8-74170.1168.396.3-10.8112.3D1897 A1900 Y1904 S1929 L1930 R1931 K1935D1897-R1933 IonicContact OD1-CZ 2.89Å; D1897-R1933 IonicContact OD1-NE 2.67Å; D1897-R1933 PolarHBondContact OD1-NE 3.11Å; D1897-R1933 IonicContact OD1-NH2 3.99Å; D1897-R1933 IonicContact OD2-CZ 3.3Å; D1897-R1933 IonicContact OD2-NE 2.64Å; D1897-R1933 PolarHBondContact OD2-NE 3.01Å; D1897-R1933 VanDerWaalsContact OD2-NE 3.11Å; D1897-R1933 IonicContact OD2-NH2 3.54Å; D1897-R1933 PolarHBondContact OD2-NH2 3.4Å; A1900-R1933 HydrophobicContact CB-CB 3.89Å; Y1904-R1933 WeakPolarHBondContact CE2-O 3.07Å; Y1904-R1933 PolarHBondContact OH-O 3.15Å; S1929-R1933 PolarHBondContact O-NH1 3.32Å; L1930-R1933 PolarHBondContact O-N 3.16Å; L1930-R1933 VanDerWaalsContact O-N 3.08Å; R1931-R1933 VanDerWaalsContact C-N 3.31Å; R1931-R1933 PolarHBondContact O-N 3.2Å; R1933-K1935 VanDerWaalsContact C-N 3.28Å; R1933-K1935 PolarHBondContact O-N 3.04Å
1934L87.8Confident74.6Confident8 Ų867.6 Ų67.64%0.04236%0.363CS..Hα-helixtrans-83.26178.8-64.1176000114.1A1900 L1903 Y1904 L1923 L1926 L1930 R1931 F1936 I1937A1900-L1934 HydrophobicContact CB-CD2 3.91Å; A1900-L1934 HydrophobicContact CB-CG 4.48Å; L1903-L1934 HydrophobicContact CB-CD2 4.32Å; L1903-L1934 HydrophobicContact CD1-CD1 4.29Å; L1903-L1934 HydrophobicContact CD1-CD2 4.11Å; Y1904-L1934 VanDerWaalsContact OH-C 3.31Å; Y1904-L1934 WeakPolarHBondContact OH-CA 3.12Å; L1923-L1934 HydrophobicContact CD2-CD1 4.29Å; L1926-L1934 HydrophobicContact CD1-CD1 4.02Å; L1930-L1934 HydrophobicContact CD2-CD1 4.24Å; L1930-L1934 WeakPolarHBondContact O-CB 3.4Å; L1930-L1934 PolarHBondContact O-N 3.43Å; R1931-L1934 PolarHBondContact O-N 3.27Å; L1934-F1936 PolarHBondContact O-N 3.35Å; L1934-I1937 HydrophobicContact CB-CG1 4.06Å; L1934-I1937 HydrophobicContact CD2-CD1 4.37Å; L1934-I1937 HydrophobicContact CD2-CG1 3.91Å; L1934-I1937 WeakPolarHBondContact O-CB 3.03Å; L1934-I1937 WeakPolarHBondContact O-CG1 3.26Å; L1934-I1937 PolarHBondContact O-N 2.9Å
1935K84.9Confident72.5Confident89 Ų8968.3 Ų68.339%0.38737%0.37SS..THydrogen-bonded Turntrans-56.4-18.4-176.367177167.2156.40115.7C180 R1931 K1932 R1933C180-K1935 PolarHBondContact O-NZ 2.88Å; C180-K1935 VanDerWaalsContact SG-CE 3.6Å; R1931-K1935 PolarHBondContact O-N 2.91Å; K1932-K1935 WeakPolarHBondContact O-CD 3.39Å; K1932-K1935 WeakPolarHBondContact O-CE 3.06Å; K1932-K1935 VanDerWaalsContact O-CG 3.28Å; K1932-K1935 WeakPolarHBondContact O-CG 3.28Å; R1933-K1935 VanDerWaalsContact C-N 3.28Å; R1933-K1935 PolarHBondContact O-N 3.04Å
1936F86.4Confident70.4Confident16 Ų1671.8 Ų71.87%0.0739%0.387CS..THydrogen-bonded Turntrans-101.16.9178.1-48.3-73.9000113.3Y133 P183 Y1904 K1907 L1934Y133-F1936 AromaticContact CD1-CD1 3.96Å; Y133-F1936 HydrophobicContact CD1-CD1 3.96Å; Y133-F1936 AromaticContact CD1-CE1 3.85Å; Y133-F1936 HydrophobicContact CD1-CE1 3.85Å; Y133-F1936 HydrophobicContact CE1-CD1 4.37Å; Y133-F1936 HydrophobicContact CG-CD1 4.35Å; Y133-F1936 HydrophobicContact CG-CE1 4.06Å; P183-F1936 HydrophobicContact CB-CD2 4.33Å; P183-F1936 HydrophobicContact CG-CB 4.05Å; P183-F1936 HydrophobicContact CG-CD2 3.52Å; P183-F1936 HydrophobicContact CG-CE2 4Å; P183-F1936 HydrophobicContact CG-CG 3.9Å; Y1904-F1936 HydrophobicContact CE1-CB 3.95Å; Y1904-F1936 WeakPolarHBondContact OH-CB 3.17Å; Y1904-F1936 PolarHBondContact OH-N 3.16Å; Y1904-F1936 VanDerWaalsContact OH-N 3.11Å; K1907-F1936 PolarHBondContact NZ-O 3.47Å; K1907-F1936 VanDerWaalsContact NZ-O 3.1Å; L1934-F1936 PolarHBondContact O-N 3.35Å
1937I84.8Confident68.2Low3 Ų379.8 Ų79.82%0.01542%0.423CS..SBendtrans-69.4-39.1171.8-65.1-66.8000110.4Y1904 K1907 L1923 L1934Y1904-I1937 HydrophobicContact CD1-CD1 3.54Å; Y1904-I1937 HydrophobicContact CD1-CG1 4.41Å; Y1904-I1937 HydrophobicContact CE1-CD1 3.48Å; Y1904-I1937 VanDerWaalsContact CE1-CD1 3.48Å; Y1904-I1937 HydrophobicContact CE1-CG1 3.85Å; Y1904-I1937 HydrophobicContact CG-CD1 4.31Å; K1907-I1937 HydrophobicContact CD-CD1 3.92Å; K1907-I1937 PolarHBondContact NZ-O 3.43Å; L1923-I1937 HydrophobicContact CD1-CB 4.24Å; L1923-I1937 HydrophobicContact CD1-CG2 3.82Å; L1934-I1937 HydrophobicContact CB-CG1 4.06Å; L1934-I1937 HydrophobicContact CD2-CD1 4.37Å; L1934-I1937 HydrophobicContact CD2-CG1 3.91Å; L1934-I1937 WeakPolarHBondContact O-CB 3.03Å; L1934-I1937 WeakPolarHBondContact O-CG1 3.26Å; L1934-I1937 PolarHBondContact O-N 2.9Å
1938L79.2Confident66.5Low66 Ų6684.2 Ų84.235%0.34645%0.446SS..SBendtrans-88.7143.7171.1-61.7173.8000110.5L1916 L1923L1916-L1938 HydrophobicContact CD2-CD2 4.31Å; L1923-L1938 HydrophobicContact CD1-CD1 4.09Å; L1923-L1938 HydrophobicContact CD1-CD2 4.06Å; L1923-L1938 HydrophobicContact CD1-CG 3.8Å
1939P67.6Low64.9Low93 Ų9389.2 Ų89.260%0.60447%0.466SS*.PPolyproline II helixtrans-61144.4166.9-20.133000111.4
1940Q59.6Low63Low123 Ų12395.3 Ų95.358%0.57550%0.495SS*.PPolyproline II helixtrans-85.8129.2171.5-73177.7-4500110.3S1942Q1940-S1942 PolarHBondContact O-N 2.95Å
1941D51.2Low61.1Low134 Ų134104 Ų10472%0.71754%0.536SS*.  trans-73115.8178.3-66.3-43.6000111.3S1943D1941-S1943 PolarHBondContact O-N 3.48Å
1942S39.5Very low58.9Low124 Ų124107.5 Ų107.587%0.86756%0.563SS**THydrogen-bonded Turntrans-76.715.8-172.849.80000115.4Q1940Q1940-S1942 PolarHBondContact O-N 2.95Å
1943S35.8Very low57.4Low93 Ų93106.3 Ų106.365%0.6558%0.576SS**THydrogen-bonded Turntrans-98.6-18.4-170.752.40000115.3D1941D1941-S1943 PolarHBondContact O-N 3.48Å
1944V41.4Very low56.3Low86 Ų86108 Ų10852%0.52160%0.597SS.*G310 helixtrans-81.6-21.9-165.9-173.50000113.7Q1946V1944-Q1946 VanDerWaalsContact C-N 3.32Å; V1944-Q1946 PolarHBondContact O-N 3.45Å; V1944-Q1946 VanDerWaalsContact O-N 3.17Å
1945S41.2Very low55.6Low100 Ų100109.9 Ų109.970%0.69961%0.606SS**G310 helixtrans-69-16.6-166.1-43.70000116.4
1946Q41.7Very low55.4Low179 Ų179106.4 Ų106.484%0.83659%0.592SS**G310 helixtrans-94.6-12.2-173.5-73.5-172.6-1200115.1V1944V1944-Q1946 VanDerWaalsContact C-N 3.32Å; V1944-Q1946 PolarHBondContact O-N 3.45Å; V1944-Q1946 VanDerWaalsContact O-N 3.17Å
1947Q42.5Very low55.1Low178 Ų178109.2 Ų109.283%0.83261%0.607SS**SBendtrans-101.7-6.3-172.7-71.7-173.4-16.700115.4
1948Q48.7Very low55Low136 Ų136111.8 Ų111.864%0.63662%0.619SS**SBendtrans-101.54-175.1-70.5-174.3-1300115.7N1950Q1948-N1950 VanDerWaalsContact C-N 3.26Å; Q1948-N1950 PolarHBondContact O-N 2.73Å
1949Q47.1Very low54.8Low150 Ų150112.9 Ų112.970%0.70162%0.622SS**THydrogen-bonded Turntrans-772.9-176.4-76.3-172-17.300115.9
1950N41Very low55Low163 Ų163115.8 Ų115.887%0.87263%0.632SS**THydrogen-bonded Turntrans-115.222.4-163.1-120.85.5000116.1Q1948Q1948-N1950 VanDerWaalsContact C-N 3.26Å; Q1948-N1950 PolarHBondContact O-N 2.73Å
1951Q46.6Very low55.9Low181 Ų181114.5 Ų114.585%0.84662%0.622SS**SBendtrans-133.9113.6175.2-65.2-171.7700112.7G1953Q1951-G1953 PolarHBondContact O-N 2.96Å
1952N39.7Very low57.6Low181 Ų181112.1 Ų112.197%0.96861%0.612SS**SBendtrans39.666.2161.5-68.6-9.9000118.1
1953G52.1Low59.7Low63 Ų63106.2 Ų106.265%0.64957%0.571SS**  trans-160126.516600000113.1Q1951 H1955Q1951-G1953 PolarHBondContact O-N 2.96Å; G1953-H1955 PolarHBondContact O-N 2.88Å
1954S64.2Low62.1Low102 Ų102109.4 Ų109.471%0.71357%0.569SS**SBendtrans-72.912.5177.9-176.20000114.2
1955H72Confident64Low48 Ų48106.1 Ų106.122%0.22255%0.55CS.*SBendtrans-142.7141.6-163-54.3-68.5000110.9E90 G1953 V1962 Y1963 R1964E90-H1955 IonicContact OE1-CE1 2.65Å; E90-H1955 PolarHBondContact OE1-CE1 3.41Å; E90-H1955 IonicContact OE1-ND1 3.99Å; E90-H1955 PolarHBondContact OE1-ND1 3.3Å; G1953-H1955 PolarHBondContact O-N 2.88Å; H1955-V1962 HydrophobicContact CB-CG1 3.44Å; H1955-V1962 VanDerWaalsContact CB-CG1 3.44Å; H1955-Y1963 WeakPolarHBondContact CB-O 3.24Å; H1955-R1964 PolarHBondContact CD2-NE 3.45Å; H1955-R1964 PolarHBondContact CE1-NE 3.23Å; H1955-R1964 PolarHBondContact NE2-NE 3.16Å; H1955-R1964 PolarHBondContact NE2-NH2 3.25Å
1956P82Confident65.9Low15 Ų15102.1 Ų102.110%0.09752%0.523CS..  trans-76.7156.5-177.130.3-34.1000113.7T92 F1958 V1962 Y1963T92-P1956 HydrophobicContact CG2-CB 3.55Å; T92-P1956 HydrophobicContact CG2-CG 3.65Å; P1956-F1958 HydrophobicContact CB-CE2 3.85Å; P1956-F1958 HydrophobicContact CB-CZ 4.32Å; P1956-F1958 HydrophobicContact CG-CE2 3.99Å; P1956-V1962 WeakPolarHBondContact O-CA 3.49Å; P1956-Y1963 PolarHBondContact O-N 3.17Å
1957I80.1Confident67.6Low75 Ų75101.2 Ų101.239%0.38552%0.522SS..EExtended strand (participates in β ladder)trans-113.3131-179.5-55175.7000110.5R1961 V1962I1957-R1961 CarbonylContact C-O 3.5Å; I1957-R1961 VanDerWaalsContact CA-O 3.26Å; I1957-R1961 WeakPolarHBondContact CA-O 3.41Å; I1957-V1962 HydrophobicContact CG1-CG2 4.3Å
1958F81.5Confident69.1Low58 Ų5898.1 Ų98.125%0.25451%0.505SS..EExtended strand (participates in β ladder)trans-139.8141.6173.3-57.5-82.1000109.7P96 F130 P1956 N1960 R1961P96-F1958 VanDerWaalsContact CD-CZ 3.47Å; P96-F1958 HydrophobicContact CG-CD1 4.44Å; P96-F1958 HydrophobicContact CG-CD2 3.78Å; P96-F1958 HydrophobicContact CG-CE1 4.47Å; P96-F1958 HydrophobicContact CG-CE2 3.81Å; P96-F1958 HydrophobicContact CG-CG 4.11Å; P96-F1958 HydrophobicContact CG-CZ 4.17Å; F130-F1958 HydrophobicContact CB-CB 4Å; F130-F1958 HydrophobicContact CD1-CB 4.15Å; P1956-F1958 HydrophobicContact CB-CE2 3.85Å; P1956-F1958 HydrophobicContact CB-CZ 4.32Å; P1956-F1958 HydrophobicContact CG-CE2 3.99Å; F1958-N1960 PolarHBondContact O-N 3.04Å; F1958-N1960 VanDerWaalsContact O-N 3.12Å; F1958-R1961 PolarHBondContact N-O 3.38Å; F1958-R1961 WeakPolarHBondContact O-CA 3.48Å; F1958-R1961 PolarHBondContact O-N 3.29Å; F1958-R1961 VanDerWaalsContact O-O 3.12Å
1959E75.1Confident70.1Confident89 Ų8992.5 Ų92.542%0.41648%0.481SS..THydrogen-bonded Turntrans48.338.4-177.7-69.4-64.2129.700113.9D132 R1961D132-E1959 WeakPolarHBondContact CA-OE1 3.41Å; D132-E1959 WeakPolarHBondContact CB-OE1 3.48Å; E1959-R1961 VanDerWaalsContact C-N 3.28Å; E1959-R1961 PolarHBondContact O-N 3.29Å
1960N72.1Confident71.2Confident153 Ų15386 Ų8682%0.81845%0.452SS*.THydrogen-bonded Turntrans59.628.2-173.9-55-19.1000114.7F1958F1958-N1960 PolarHBondContact O-N 3.04Å; F1958-N1960 VanDerWaalsContact O-N 3.12Å
1961R79.4Confident72.4Confident97 Ų9784.1 Ų84.137%0.36644%0.439SS..EExtended strand (participates in β ladder)trans-131148.3178.5-55.7-179.5-164.1-141.11.3112.3F129 F130 I1957 F1958 E1959F129-R1961 VanDerWaalsContact O-CD 3.31Å; F129-R1961 WeakPolarHBondContact O-CD 3.25Å; F129-R1961 PolarHBondContact O-NE 2.8Å; F130-R1961 HydrophobicContact CD1-CB 3.97Å; F130-R1961 HydrophobicContact CE1-CB 3.63Å; I1957-R1961 CarbonylContact C-O 3.5Å; I1957-R1961 VanDerWaalsContact CA-O 3.26Å; I1957-R1961 WeakPolarHBondContact CA-O 3.41Å; F1958-R1961 PolarHBondContact N-O 3.38Å; F1958-R1961 WeakPolarHBondContact O-CA 3.48Å; F1958-R1961 PolarHBondContact O-N 3.29Å; F1958-R1961 VanDerWaalsContact O-O 3.12Å; E1959-R1961 VanDerWaalsContact C-N 3.28Å; E1959-R1961 PolarHBondContact O-N 3.29Å
1962V85Confident73Confident84 Ų8477.5 Ų77.551%0.50941%0.412SS..EExtended strand (participates in β ladder)trans-89.3135.4179.1-176.50000111.5F130 H1955 P1956 I1957F130-V1962 WeakPolarHBondContact CE1-O 3.32Å; H1955-V1962 HydrophobicContact CB-CG1 3.44Å; H1955-V1962 VanDerWaalsContact CB-CG1 3.44Å; P1956-V1962 WeakPolarHBondContact O-CA 3.49Å; I1957-V1962 HydrophobicContact CG1-CG2 4.3Å
1963Y85.3Confident74Confident0 Ų075 Ų750%040%0.399CS..  trans-99.8140.3-179.1-166.1-80000113.5D86 I89 E90 P96 L127 F130 H1955 P1956D86-Y1963 PolarHBondContact OD1-OH 3.44Å; I89-Y1963 HydrophobicContact CB-CD1 4.3Å; I89-Y1963 HydrophobicContact CB-CE1 3.64Å; I89-Y1963 WeakPolarHBondContact CD1-OH 3.46Å; I89-Y1963 HydrophobicContact CG2-CD1 3.74Å; I89-Y1963 HydrophobicContact CG2-CD2 4.06Å; I89-Y1963 HydrophobicContact CG2-CE1 3.44Å; I89-Y1963 VanDerWaalsContact CG2-CE1 3.44Å; I89-Y1963 HydrophobicContact CG2-CE2 3.75Å; I89-Y1963 HydrophobicContact CG2-CG 4.06Å; I89-Y1963 VanDerWaalsContact CG2-CZ 3.45Å; E90-Y1963 HydrophobicContact CB-CD1 4.24Å; E90-Y1963 HydrophobicContact CB-CE1 4.5Å; P96-Y1963 HydrophobicContact CG-CD2 4.43Å; L127-Y1963 HydrophobicContact CD2-CE2 3.93Å; L127-Y1963 WeakPolarHBondContact CD2-OH 3.38Å; F130-Y1963 HydrophobicContact CD1-CD2 4.15Å; F130-Y1963 AromaticContact CD2-CD2 3.68Å; F130-Y1963 HydrophobicContact CD2-CD2 3.68Å; F130-Y1963 AromaticContact CD2-CE2 3.95Å; F130-Y1963 HydrophobicContact CD2-CE2 3.95Å; F130-Y1963 HydrophobicContact CE1-CD2 4.09Å; F130-Y1963 AromaticContact CE2-CD2 3.63Å; F130-Y1963 HydrophobicContact CE2-CD2 3.63Å; F130-Y1963 AromaticContact CE2-CE2 3.99Å; F130-Y1963 HydrophobicContact CE2-CE2 3.99Å; F130-Y1963 AromaticContact CG-CD2 3.94Å; F130-Y1963 HydrophobicContact CG-CD2 3.94Å; F130-Y1963 AromaticContact CZ-CD2 3.83Å; F130-Y1963 HydrophobicContact CZ-CD2 3.83Å; F130-Y1963 HydrophobicContact CZ-CG 4.45Å; H1955-Y1963 WeakPolarHBondContact CB-O 3.24Å; P1956-Y1963 PolarHBondContact O-N 3.17Å
1964R85.3Confident74.7Confident160 Ų16073.2 Ų73.260%0.60438%0.38SS*.  trans-144.3143.2175.6-74.8-177.8168.7166.6-3.1112.1K126 H1955K126-R1964 WeakPolarHBondContact CE-O 3.32Å; K126-R1964 PolarHBondContact NZ-O 2.92Å; H1955-R1964 PolarHBondContact CD2-NE 3.45Å; H1955-R1964 PolarHBondContact CE1-NE 3.23Å; H1955-R1964 PolarHBondContact NE2-NE 3.16Å; H1955-R1964 PolarHBondContact NE2-NH2 3.25Å
1965A82.1Confident74.9Confident16 Ų1671.7 Ų71.713%0.13236%0.364CS..  trans-82.3161.8176.100000113D86 F87 E90D86-A1965 WeakPolarHBondContact OD2-CA 3.42Å; D86-A1965 WeakPolarHBondContact OD2-CB 3.23Å; F87-A1965 HydrophobicContact CB-CB 4.45Å; F87-A1965 HydrophobicContact CD2-CB 4.34Å; E90-A1965 HydrophobicContact CB-CB 4.03Å; E90-A1965 WeakPolarHBondContact OE2-CB 3.48Å; E90-A1965 PolarHBondContact OE2-N 3.27Å
1966S80.2Confident74.9Confident17 Ų1771.4 Ų71.412%0.11936%0.362CS..  trans-71.1144.4177.5-40.60000111.4W83 D86 F1976W83-S1966 PolarHBondContact NE1-O 2.64Å; D86-S1966 PolarHBondContact OD2-N 2.94Å; D86-S1966 PolarHBondContact OD2-OG 3.25Å; S1966-F1976 VanDerWaalsContact OG-CA 3.32Å; S1966-F1976 WeakPolarHBondContact OG-CA 3.38Å; S1966-F1976 PolarHBondContact OG-OXT 3.33Å
1967I76.9Confident74.5Confident160 Ų16074.2 Ų74.282%0.82138%0.376SS*.SBendtrans-76.8-28.2-172.9-60169.4000113.1
1968K74.2Confident74.2Confident112 Ų11274.2 Ų74.249%0.48738%0.375SS..SBendtrans-135.8152.4179.5-69.4-173.5179.2-1760109.2
1969P70Confident73.8Confident18 Ų1875.1 Ų75.112%0.11738%0.382CS..PPolyproline II helixtrans-64.2134.217427.1-30.3000108.5T38 R80 W83 M1971T38-P1969 HydrophobicContact CG2-CG 4.03Å; R80-P1969 HydrophobicContact CG-CB 3.77Å; R80-P1969 HydrophobicContact CG-CG 4.15Å; W83-P1969 HydrophobicContact CB-CB 4.41Å; W83-P1969 HydrophobicContact CD2-CB 3.86Å; W83-P1969 HydrophobicContact CD2-CG 4.47Å; W83-P1969 HydrophobicContact CE3-CB 3.64Å; W83-P1969 HydrophobicContact CE3-CG 3.99Å; W83-P1969 HydrophobicContact CG-CB 4.22Å; W83-P1969 HydrophobicContact CH2-CG 4.39Å; W83-P1969 HydrophobicContact CZ3-CB 4.14Å; W83-P1969 HydrophobicContact CZ3-CG 3.95Å; P1969-M1971 PolarHBondContact O-N 3.3Å
1970P70.3Confident73.8Confident14 Ų1474.2 Ų74.29%0.09138%0.38CS..PPolyproline II helixtrans-68.3132.6-177.9-15.328.2000110.6M79 G1974 F1976M79-P1970 HydrophobicContact CE-CB 3.55Å; M79-P1970 HydrophobicContact CE-CG 3.61Å; P1970-G1974 VanDerWaalsContact CB-C 3.47Å; P1970-G1974 WeakPolarHBondContact CB-O 3.46Å; P1970-F1976 HydrophobicContact CG-CD1 3.92Å; P1970-F1976 HydrophobicContact CG-CD2 4.48Å; P1970-F1976 HydrophobicContact CG-CE1 3.82Å; P1970-F1976 HydrophobicContact CG-CE2 4.42Å; P1970-F1976 HydrophobicContact CG-CG 4.23Å; P1970-F1976 HydrophobicContact CG-CZ 4.08Å
1971M65.5Low73.9Confident124 Ų12469.3 Ų69.361%0.61135%0.353SS*.PPolyproline II helixtrans-59.7170.7170.1-72.6-67-154.300110.8P1969 N1973 G1974P1969-M1971 PolarHBondContact O-N 3.3Å; M1971-N1973 PolarHBondContact O-N 2.84Å; M1971-G1974 PolarHBondContact O-N 3Å
1972C59.7Low73.5Confident41 Ų4167.5 Ų67.528%0.27735%0.352SS..THydrogen-bonded Turntrans-52.7-10-177.6-71.70000117E75 R118E75-C1972 WeakPolarHBondContact OE1-CA 3.31Å; E75-C1972 VanDerWaalsContact OE1-O 3.04Å; E75-C1972 WeakPolarHBondContact OE2-CB 3.45Å; E75-C1972 PolarHBondContact OE2-SG 2.94Å; R118-C1972 PolarHBondContact NH1-O 2.7Å
1973N61.7Low72.7Confident129 Ų12966.3 Ų66.369%0.6934%0.34SS*.THydrogen-bonded Turntrans-126.84.2172.7-69.8-36.8000114.4M1971M1971-N1973 PolarHBondContact O-N 2.84Å
1974G65.5Low71.7Confident25 Ų2571.4 Ų71.426%0.25837%0.367SS..  trans-88.7163.3-177.600000114.3K122 P1970 M1971K122-G1974 PolarHBondContact NZ-O 3.07Å; P1970-G1974 VanDerWaalsContact CB-C 3.47Å; P1970-G1974 WeakPolarHBondContact CB-O 3.46Å; M1971-G1974 PolarHBondContact O-N 3Å
1975D68.1Low70.6Confident71 Ų7164 Ų6438%0.3835%0.347SS..  trans-114.8164.6-179-87.717.5000112.4K122 R1678K122-D1975 VanDerWaalsContact CE-OD1 3.28Å; K122-D1975 WeakPolarHBondContact CE-OD1 3.44Å; K122-D1975 IonicContact NZ-OD1 3.59Å; R1678-D1975 IonicContact CZ-OD2 3.14Å; R1678-D1975 VanDerWaalsContact CZ-OD2 3.25Å; R1678-D1975 IonicContact NH1-OD2 3.22Å; R1678-D1975 PolarHBondContact NH1-OD2 2.74Å; R1678-D1975 IonicContact NH2-OD2 3.06Å; R1678-D1975 PolarHBondContact NH2-OD2 2.76Å
1976F72.6Confident69.5Low41 Ų4168.4 Ų68.418%0.1837%0.366CS..  trans-83.10176.3-70.5-77.9000113.8M79 L82 W83 D86 K122 L123 K126 S1966 P1970M79-F1976 HydrophobicContact CE-CD2 4.38Å; M79-F1976 HydrophobicContact CE-CE2 3.57Å; M79-F1976 HydrophobicContact CE-CZ 3.73Å; M79-F1976 HydrophobicContact SD-CE2 4.16Å; M79-F1976 HydrophobicContact SD-CZ 4.25Å; L82-F1976 HydrophobicContact CB-CE1 4.49Å; L82-F1976 HydrophobicContact CB-CE2 4.32Å; L82-F1976 HydrophobicContact CB-CZ 3.69Å; W83-F1976 HydrophobicContact CB-CE1 3.98Å; D86-F1976 HydrophobicContact CB-CD1 4.48Å; K122-F1976 HydrophobicContact CB-CD2 3.85Å; K122-F1976 HydrophobicContact CB-CE2 4.02Å; L123-F1976 HydrophobicContact CB-CD2 4.24Å; L123-F1976 HydrophobicContact CB-CE2 4.25Å; K126-F1976 HydrophobicContact CD-CB 4.19Å; S1966-F1976 VanDerWaalsContact OG-CA 3.32Å; S1966-F1976 WeakPolarHBondContact OG-CA 3.38Å; S1966-F1976 PolarHBondContact OG-OXT 3.33Å; P1970-F1976 HydrophobicContact CG-CD1 3.92Å; P1970-F1976 HydrophobicContact CG-CD2 4.48Å; P1970-F1976 HydrophobicContact CG-CE1 3.82Å; P1970-F1976 HydrophobicContact CG-CE2 4.42Å; P1970-F1976 HydrophobicContact CG-CG 4.23Å; P1970-F1976 HydrophobicContact CG-CZ 4.08Å

Retrieved 1,976 of 1,976 residues in 3660.7 ms (Link to these results)

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