A0A3Q0KSJ0_SCHMA Loading...

E3 ubiquitin-protein ligase AlphaSync Fragmented

E3 ubiquitin-protein ligase which accepts ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and then directly transfers the ubiquitin to targeted substrates.

AlphaFold DB , UniProt , Accession A0A3Q0KSJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 3,809 aa.

>A0A3Q0KSJ0_SCHMA|A0A3Q0KSJ0
MEADPAIVLEWLDSVNDELRELQLTALEQLCNEVLFSDNVDVFFERYPPRLFIPALCKIFLDELAPDSVLEANARALTYYLDVSLDCAPRIARSPNVLTAMTSRLDAVDMTSAKSNELGQQIIKMLQLICTREPGAVYTAGGLTSVLRYIRLYPHLLHADVLQAGMDIIRRLFSRADPADKNLTSWIDALSSLLDRRETGVADQALRAFANLVARFTRTGADPSPLADSHIIDCLLQRLRVAGGVETDNEVTDSSGPSLPTDTSGSSRDGLSSVTTESNPVAVHAVTNILTSLCCNSVSITHKLLTSDGQFAMTLAMVVQRSTDELVVLSVLRLIEVLLVLLHQTQNVQLKSRESSQTKEQVCKTTLPESANDDISKQNQMQSQLFKSNEFQTSISIIEHAENSQNTSQSEHTIETPLESQHSWEGDAVHRHFIEAIKRQDLDFMKRSLKSGKIDVNYMDHLGQTLLNWAASFGSPAMVELLCTHGANVNLGVRTPLDYAASFGRVEICKTLLNWGADINKQDVQGRKPIDRAREHPDFPGSQQVIDLLESESKRAGFRGLSSKLDKSDKQLTPGSSSTPSSYVSFAQHKPDVIQSNDPGEAQRLFVDQLLPLLVGLFKESTSSVRHQCTLLVWRMIQYMRPDHLETISLMDNQSVPFAFSLTQMIYTVLIEEREELISRALELSLRLLNKTPHIYVLVFYRLGLIPLIQIIIDILHHLLIMENKSGVTVTTITTSTTNTGQQFSVSSSDENEGKDVCTASVTKKTTDTTSTTTVMTSATSSTVPASITPTISPSTTTTTTTTRSTKTKEIIEELSQKNTLVIDKENKSESVKNVEKQRVRDQLNVNLNESKNYMPEILSTPTNEDEEEQQHQLVLQSTSTSERVHLDAQLYNWNGWHFFCMGQLLSIFNGFAFITIQLQPEDGGLRVLCIHNSAHRNNPVPIQLHPGENPFSRPSLKSRMLRMHQHLMELIDSNITITPLFKDVDTETVQTTENDEGREQTNQLDSVKKQTQLNILTHSSLSNLEASHNNARRFRRRLGLRHDPISINLAATTMGGHTSKLQRQASSPARVCLTSRFSTKIPIQSNPTESSGLLDSTTSVSFGSIICSLLKRKDGTYVSVKPRAPTVFNSKSSLNEALLLSENFCSGFKRVRIASISKETPVSSVNTEFNNTASKTQTNPNVLLKSTKRHSRSFISMFSQLDLPPSVSYTPFITTTTASGATINRSNSSSVNSNITTPTVSGTSIYSQSIPEIFDFDSLINSDSLNIGTAYLNLCDTTSFETTTESNITTDFTDDDNYNDGDRKFSKTDQSLTNATNMELSRIDKLFFPNEIIHETYNSGQLVVLLRTEDDDSRSSESTIERLILIRKHMLTLANQLLERLQIDTYLSSTNYTSLSTTSSSSSLSGIIDKIGPINALNRIKLIVMQIWDIFKMDKDYSFSVTLNKLFIVFKKLSDLLNEGEQTITAYELTTSGLIQVLLLCLSVAYAGHWHCHIFSMELDNTTALLWYLQERRRVFVLNMLSHSKSKSISLLVRRLVQAFELTEHLPLRLFSAAHLLRSSSTNASSVHHDTSNHKLDRNNTNNNMNDSNKTLKNTNTNYIPPTNLINRIGYSASLPINFINSSFSRCHSGIYTDHGDPVSINFKQPFQDSMDAKELAALLRFCPILLDYPEFDSCFTPSLHQIAKRLPLYLDKLSNLPSVVELKSNNNDNNTTENKLHHNKSKRLYNWRGKLLFVSPLATVGQLERFLSRMSTKQWYECSRLDLSLWSQIHLANSFNSTSGLYFPAPPPGNSSADYLGGIIDWLATNGNRRPLEDWINPAIVGLISIAASTSSPVKGRAVSILGPQAGALVGGYTIRGSGIGVVVKPKRMNCPNGSNQNESRGKKSMSDQKSSHTSFSTVNINENETHAWITVDLGLQLIPTAYTLAYLRRADASEHSLAPRNWKLEASNDAVTWIVLREHNNDLSIQSVSGSRATWSINSYHNNYNSNKAETISSTLNTACTKKSIRGWRFFKIQTTGTNANGGKQLALGGLEFYGNVYSVHDSVLTPSALAQKIYSISSERKDASPPPPQTITKSMSSSSWLTVNVKLSTNNRNSQVDQNEMNNDANDINNCTVIKSDAEEITEENSSSKSSNLNITLKQIDNHRRDPKSSNDEIIRHHITSIISSSSSSQQKNPIDDNYEEEEEQVEAEEKEHDNHVDVDDNDDDDDDNDDDDDDEDDDDGIGKNITKNLNHESSDTLMNILFDEEAGSDDNMMTSASKSDVDMILELSAKKLDNLNILSSGTIDDKLLQCFGNLLANDKSSPELYQLLRRIAPQDLDYDLLNKCTSRSMDSIHSGEEEHHSKETMNNYQSEDTKRIDSIILDTGEIDITEPHISYIDHSNPEASGESDAPGLGYLLNSIEPEAIEFADTVEAIIRSNTVQNRRNNIGDDNENPIGLTINKISQTSSHSWKHFQSTQNANHKNNNRISVDQLIHNEEEKSEKICEPIGLLTQSSESYSNLPVIKTVNTEPCNNTNKLSKNSDDHNQQLNETYQYSEQLNETTSFNANLSSDSSGFQVLPSSWKPIHQQFRRRIRRNRPRQMVSSESKDTPASHSNSPHSGTPPVPLSWNEATDALRLPLGLIPTFIPNPGSTNAPGTTAYVLCRPPSSDHECSANDEDSYSRLSLFLGIYMNSEYLIQIPLRDKNATLFNYIQELSEKFELLENSNEYRLSKSIDGNDKTKNNYLIKLGYRFWDANDDCVKSSTLTTISTPCIAGDNNNNNNHDVNGSTIRTIYGKALLNKHDLRFTPSLDRPIIYTSSGIKIPIISDNNIDDSNNNDVDGVSVNNLTNKSEYLIMNNYDVHKSYPPSDPEDILQLIKLLYQLSGLKEFSLENNNNNNNDNSLVGKSESIEMKMEDFTSTRLTNKLLCQIHDPLALASGALPNWCLSLSQRFNILFSFNVRSQLFSACAFGPARAATWLQNRPLQKRTYLSHSDGYSRAGSAGSASGRSSYRILLPSVNASLISALLNNTNASNNNNNTITATTATNNITSNALDDGNRSINSDEDIVLLRPSILNHLLNITGVNGTANNNTSSLQNIDIGNDLDINSDNISSVESILTTLGIPLLTSTTTSTAASLNCDTNFLSDSTGASNNNNDLINCLLVHGNQNNQHLTTSMGGIATTPNGGGGSSGFGIGLISDDRSTSQIGRLHKEFVRIPRLPHELLTQLTSKYMKSSSNYYHYHQSDNLTFWHWASRLMEEHASRKSELEIQFIGEEGTGLGPTLEFYSLLAAELRRRDGLMWVTNDFTMTTEQSSHSHSVLPTVSSSATIEQHVISNSGQPNSMDNEIDDIDEANIYVNTPYGLFPAPWPGDQVPESVLYRFFILGITVAKCLQDNRRIDLPLSSPLLKLLSTYGSVVNTHNCNDHELEKCYSATSSLDNSKTINNVDFSVLSDVESAFQNVLYGYSYLKNQLTSITTSTTTDQFIKNQFNPNDDEEFNLASFLISPQYKRLYQCCGSISQNNNNNNLQSSTHWISGLLNLNDFCIIYPERAQFLKQITEFHRRKSTMSNGNTNEKCINDLAVEIFGCDLTDLCLSMEFLPSSKLFGFSSYPLKDVYDWEATITTTPRTTNNSTEESLHKNVTENSQSIVAPVTVHNIEKYLELTLAFCLDKGIRKQLDAFKDGFERVLPLRWLALFTATELGELIAGDSVVHWTREDLLAYTVPSLGFTKQSPTYQMLINVLCNFNSTERRAFLQFTTGCSSLPPGGLKNLHPRLRIVRKEITNSGPYPSVNTCVHYLKLPEYQSEKELRTRLLQATKEIGFYLN

Structure and PAE viewers are unavailable as this is a multi-fragment structure.

 

Download 14 Fragment Structures   AlphaSync Parameters   PDBs   Table  
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
1M46.1Very low79.6Confident238 Ų23882 Ų82100%1.17242%0.424SS*.  0126.90-82177.1-84.600105.5A3M1-A3 PolarHBondContact O-N 2.8Å
2E60.2Low80.4Confident140 Ų14075.3 Ų75.365%0.65439%0.39SS*.PPolyproline II helixtrans-69.9123.1166.8-55.6173.1-158.400107R46E2-R46 IonicContact OE2-CZ 2.64Å; E2-R46 IonicContact OE2-NH1 2.8Å; E2-R46 PolarHBondContact OE2-NH1 3.48Å; E2-R46 IonicContact OE2-NH2 3.35Å; E2-R46 PolarHBondContact OE2-NH2 2.86Å
3A66.4Low80.8Confident16 Ų1674.8 Ų74.813%0.13239%0.388CS..PPolyproline II helixtrans-70.7151.8172.300000110.5M1 V8M1-A3 PolarHBondContact O-N 2.8Å; A3-V8 HydrophobicContact CB-CG2 3.75Å
4D84.1Confident80.6Confident89 Ų8970.6 Ų70.648%0.47637%0.368SS..PPolyproline II helixtrans-66129.2167.6-172.1-38.8000108.3A6 I7 V8D4-A6 PolarHBondContact O-N 3.04Å; D4-A6 VanDerWaalsContact O-N 3.09Å; D4-A6 VanDerWaalsContact OD1-CB 3.27Å; D4-A6 WeakPolarHBondContact OD1-CB 3.34Å; D4-A6 PolarHBondContact OD1-N 3.21Å; D4-I7 HydrophobicContact CB-CB 4.44Å; D4-I7 HydrophobicContact CB-CD1 3.9Å; D4-I7 HydrophobicContact CB-CG1 4.03Å; D4-I7 WeakPolarHBondContact O-CB 3.25Å; D4-I7 PolarHBondContact O-N 3.43Å; D4-V8 PolarHBondContact O-N 3.44Å; D4-V8 VanDerWaalsContact O-N 3.11Å
5P85.9Confident80Confident34 Ų3472.3 Ų72.322%0.22138%0.382CS..Hα-helixtrans-55.6-25.2176.622.8-34000113.3L9 R46 Y47 F52P5-L9 WeakPolarHBondContact O-CB 3.49Å; P5-L9 PolarHBondContact O-N 2.81Å; P5-R46 VanDerWaalsContact CB-O 3.29Å; P5-R46 WeakPolarHBondContact CB-O 3.47Å; P5-R46 HydrophobicContact CG-CG 4.29Å; P5-Y47 HydrophobicContact CB-CD1 3.95Å; P5-Y47 HydrophobicContact CB-CE1 3.82Å; P5-F52 HydrophobicContact CB-CE2 4.43Å; P5-F52 HydrophobicContact CB-CZ 4.03Å; P5-F52 WeakPolarHBondContact O-CZ 3.42Å
6A87.6Confident79.4Confident62 Ų6274 Ų7451%0.51239%0.392SS..Hα-helixtrans-64.2-40.4171.700000112.6D4 L9 E10D4-A6 PolarHBondContact O-N 3.04Å; D4-A6 VanDerWaalsContact O-N 3.09Å; D4-A6 VanDerWaalsContact OD1-CB 3.27Å; D4-A6 WeakPolarHBondContact OD1-CB 3.34Å; D4-A6 PolarHBondContact OD1-N 3.21Å; A6-L9 PolarHBondContact O-N 3.39Å; A6-E10 PolarHBondContact O-N 2.82Å
7I87.6Confident78.9Confident68 Ų6876.2 Ų76.235%0.34940%0.404SS..Hα-helixtrans-70.5-41.3177.6-62.6171.6000110.3D4 L9 E10 W11D4-I7 HydrophobicContact CB-CB 4.44Å; D4-I7 HydrophobicContact CB-CD1 3.9Å; D4-I7 HydrophobicContact CB-CG1 4.03Å; D4-I7 WeakPolarHBondContact O-CB 3.25Å; D4-I7 PolarHBondContact O-N 3.43Å; I7-L9 VanDerWaalsContact C-N 3.29Å; I7-L9 PolarHBondContact O-N 3.01Å; I7-E10 PolarHBondContact O-N 3.48Å; I7-W11 HydrophobicContact CG2-CD2 4.01Å; I7-W11 VanDerWaalsContact CG2-CE2 3.44Å; I7-W11 HydrophobicContact CG2-CH2 4.11Å; I7-W11 HydrophobicContact CG2-CZ2 3.51Å; I7-W11 PolarHBondContact O-N 3.31Å
8V89.9Confident78.7Confident1 Ų181.9 Ų81.91%0.00643%0.428CS..Hα-helixtrans-59.2-43.4174.3-177.20000110.2A3 D4 W11 L12 A26 Y47 F52A3-V8 HydrophobicContact CB-CG2 3.75Å; D4-V8 PolarHBondContact O-N 3.44Å; D4-V8 VanDerWaalsContact O-N 3.11Å; V8-W11 PolarHBondContact O-N 2.94Å; V8-L12 HydrophobicContact CG1-CD1 4.23Å; V8-L12 VanDerWaalsContact O-CG 3.25Å; V8-L12 WeakPolarHBondContact O-CG 3.22Å; V8-L12 PolarHBondContact O-N 3.45Å; V8-A26 HydrophobicContact CG1-CB 4.16Å; V8-Y47 HydrophobicContact CG2-CE1 4.46Å; V8-F52 HydrophobicContact CB-CE1 4.36Å; V8-F52 HydrophobicContact CG1-CE1 4.08Å
9L89.4Confident78.8Confident41 Ų4180.8 Ų80.822%0.21542%0.422CS..Hα-helixtrans-66.7-38177.7-167.467.5000112.7P5 A6 I7 L12 D13 L51 F52 A55P5-L9 WeakPolarHBondContact O-CB 3.49Å; P5-L9 PolarHBondContact O-N 2.81Å; A6-L9 PolarHBondContact O-N 3.39Å; I7-L9 VanDerWaalsContact C-N 3.29Å; I7-L9 PolarHBondContact O-N 3.01Å; L9-L12 PolarHBondContact O-N 3.5Å; L9-D13 PolarHBondContact O-N 3.38Å; L9-L51 HydrophobicContact CD2-CB 4.13Å; L9-L51 HydrophobicContact CD2-CD1 4.46Å; L9-F52 HydrophobicContact CB-CE1 4.11Å; L9-F52 HydrophobicContact CB-CZ 4.05Å; L9-F52 HydrophobicContact CD1-CD1 4.02Å; L9-F52 HydrophobicContact CD1-CE1 4.02Å; L9-F52 HydrophobicContact CD1-CG 4.29Å; L9-F52 HydrophobicContact CD1-CZ 4.3Å; L9-A55 HydrophobicContact CD1-CB 3.76Å
10E88.1Confident79.3Confident137 Ų13777.8 Ų77.864%0.6441%0.405SS*.Hα-helixtrans-62.3-42.8174.1-176.5176.9-171.100112A6 I7 D13 S14A6-E10 PolarHBondContact O-N 2.82Å; I7-E10 PolarHBondContact O-N 3.48Å; E10-D13 PolarHBondContact O-N 3.39Å; E10-S14 PolarHBondContact O-N 3.26Å
11W89.8Confident79.6Confident76 Ų7681.8 Ų81.829%0.28842%0.421SS..Hα-helixtrans-68.2-36.1176.2-65-6.6000112.4I7 V8 S14 L22 A26I7-W11 HydrophobicContact CG2-CD2 4.01Å; I7-W11 VanDerWaalsContact CG2-CE2 3.44Å; I7-W11 HydrophobicContact CG2-CH2 4.11Å; I7-W11 HydrophobicContact CG2-CZ2 3.51Å; I7-W11 PolarHBondContact O-N 3.31Å; V8-W11 PolarHBondContact O-N 2.94Å; W11-S14 WeakPolarHBondContact O-CB 3.39Å; W11-S14 PolarHBondContact O-N 2.86Å; W11-S14 PolarHBondContact O-OG 3.31Å; W11-L22 HydrophobicContact CD2-CB 4.4Å; W11-L22 HydrophobicContact CG-CB 4.36Å; W11-A26 HydrophobicContact CB-CB 3.76Å; W11-A26 HydrophobicContact CE3-CB 4.12Å
12L89.7Confident81.7Confident2 Ų273.8 Ų73.81%0.0138%0.383CS..Hα-helixtrans-66-38.4174.9-70.8172.1000112.8V8 L9 S14 Q23 A26 L27 L30 F52 A55 L56 I59V8-L12 HydrophobicContact CG1-CD1 4.23Å; V8-L12 VanDerWaalsContact O-CG 3.25Å; V8-L12 WeakPolarHBondContact O-CG 3.22Å; V8-L12 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 3.5Å; L12-S14 PolarHBondContact O-N 2.78Å; L12-Q23 PolarHBondContact O-NE2 3.09Å; L12-A26 HydrophobicContact CD2-CB 4.1Å; L12-A26 HydrophobicContact CG-CB 4.15Å; L12-L27 HydrophobicContact CD2-CD2 3.5Å; L12-L27 VanDerWaalsContact CD2-CD2 3.5Å; L12-L27 HydrophobicContact CD2-CG 3.63Å; L12-L30 HydrophobicContact CD1-CD2 4.11Å; L12-F52 HydrophobicContact CD1-CD1 3.78Å; L12-F52 HydrophobicContact CD1-CE1 4.03Å; L12-A55 HydrophobicContact CB-CB 4.26Å; L12-L56 HydrophobicContact CD1-CD2 4.18Å; L12-L56 HydrophobicContact CD2-CD2 4.05Å; L12-I59 HydrophobicContact CB-CD1 4.45Å; L12-I59 HydrophobicContact CD2-CD1 3.84Å
13D85.5Confident83.1Confident69 Ų6967.3 Ų67.337%0.36935%0.353SS..THydrogen-bonded Turntrans-77.80.8178.2-101.19000114L9 E10 V15 K58L9-D13 PolarHBondContact O-N 3.38Å; E10-D13 PolarHBondContact O-N 3.39Å; D13-V15 WeakPolarHBondContact O-CG2 3.39Å; D13-K58 WeakPolarHBondContact OD1-CD 3.49Å; D13-K58 WeakPolarHBondContact OD1-CE 3.3Å; D13-K58 IonicContact OD1-NZ 3.2Å; D13-K58 PolarHBondContact OD1-NZ 2.95Å; D13-K58 IonicContact OD2-NZ 3.13Å; D13-K58 PolarHBondContact OD2-NZ 2.78Å
14S78.7Confident84.3Confident15 Ų1568.5 Ų68.511%0.10536%0.357CS..  trans-77.4133.1178.574.40000112.8E10 W11 L12 Q23E10-S14 PolarHBondContact O-N 3.26Å; W11-S14 WeakPolarHBondContact O-CB 3.39Å; W11-S14 PolarHBondContact O-N 2.86Å; W11-S14 PolarHBondContact O-OG 3.31Å; L12-S14 PolarHBondContact O-N 2.78Å; S14-Q23 PolarHBondContact O-NE2 3.19Å
15V70.5Confident84.7Confident96 Ų9667.5 Ų67.558%0.58235%0.354SS*.  trans-120.513.7-172.3-156.50000112.3D13 R20D13-V15 WeakPolarHBondContact O-CG2 3.39Å; V15-R20 PolarHBondContact O-NH2 3.36Å
16N71.7Confident85Confident100 Ų10065.9 Ų65.954%0.53534%0.343SS..  trans-100.4141.8-179.3-63.7-1.7000110.5E18 L19N16-E18 VanDerWaalsContact C-N 3.28Å; N16-E18 PolarHBondContact O-N 3.18Å; N16-L19 HydrophobicContact CB-CD1 4.1Å; N16-L19 HydrophobicContact CB-CG 4.2Å; N16-L19 PolarHBondContact O-N 3.38Å
17D70.6Confident85.3Confident111 Ų11162.9 Ų62.959%0.59432%0.319SS*.G310 helixtrans-60.6-35.8-178.5-63.4-33000113.3L19 R20D17-L19 PolarHBondContact O-N 2.85Å; D17-L19 VanDerWaalsContact O-N 3.13Å; D17-R20 VanDerWaalsContact O-CG 3.27Å; D17-R20 WeakPolarHBondContact O-CG 3.38Å; D17-R20 PolarHBondContact O-N 3.37Å; D17-R20 IonicContact OD1-NE 3.48Å; D17-R20 IonicContact OD1-NH2 2.6Å
18E74.2Confident85.5Confident180 Ų18064 Ų6484%0.84132%0.322SS*.G310 helixtrans-62.3-16.6174.3-61-176.916100113.8N16N16-E18 VanDerWaalsContact C-N 3.28Å; N16-E18 PolarHBondContact O-N 3.18Å
19L81.5Confident85.5Confident60 Ų6065.6 Ų65.631%0.31433%0.33SS..G310 helixtrans-105.9-0.2-177.5-56.8176.5000112.9N16 D17 E21 L22 Q23N16-L19 HydrophobicContact CB-CD1 4.1Å; N16-L19 HydrophobicContact CB-CG 4.2Å; N16-L19 PolarHBondContact O-N 3.38Å; D17-L19 PolarHBondContact O-N 2.85Å; D17-L19 VanDerWaalsContact O-N 3.13Å; L19-E21 VanDerWaalsContact C-N 3.27Å; L19-E21 PolarHBondContact O-N 2.79Å; L19-L22 HydrophobicContact CD2-CD1 3.99Å; L19-L22 WeakPolarHBondContact O-CB 3.48Å; L19-L22 PolarHBondContact O-N 2.74Å; L19-Q23 PolarHBondContact O-N 3.12Å
20R87.7Confident85.6Confident21 Ų2163.7 Ų63.78%0.07932%0.32CS..Hα-helixtrans-61.2-33.1-179-61.5-67178.1-1602.5113.3V15 D17 Q23 L24 D62V15-R20 PolarHBondContact O-NH2 3.36Å; D17-R20 VanDerWaalsContact O-CG 3.27Å; D17-R20 WeakPolarHBondContact O-CG 3.38Å; D17-R20 PolarHBondContact O-N 3.37Å; D17-R20 IonicContact OD1-NE 3.48Å; D17-R20 IonicContact OD1-NH2 2.6Å; R20-Q23 PolarHBondContact O-N 2.86Å; R20-L24 WeakPolarHBondContact O-CB 3.27Å; R20-L24 PolarHBondContact O-N 3.31Å; R20-D62 IonicContact CZ-OD2 3.97Å; R20-D62 IonicContact NH1-OD2 3.75Å; R20-D62 PolarHBondContact NH1-OD2 2.69Å; R20-D62 IonicContact NH2-OD1 3.89Å; R20-D62 IonicContact NH2-OD2 3.89Å; R20-D62 PolarHBondContact NH2-OD2 3.37Å
21E87.4Confident85.8Confident161 Ų16157.4 Ų57.475%0.75229%0.291SS*.Hα-helixtrans-66.9-37.5174.6-63.6-171.1164.900111.8L19 T25L19-E21 VanDerWaalsContact C-N 3.27Å; L19-E21 PolarHBondContact O-N 2.79Å; E21-T25 WeakPolarHBondContact O-CB 3.28Å; E21-T25 PolarHBondContact O-N 3.35Å; E21-T25 PolarHBondContact O-OG1 2.93Å
22L88.5Confident85.9Confident70 Ų7057.7 Ų57.737%0.36630%0.298SS..Hα-helixtrans-72.6-38.1174.6-66.3174.3000111.7W11 L19 T25 A26W11-L22 HydrophobicContact CD2-CB 4.4Å; W11-L22 HydrophobicContact CG-CB 4.36Å; L19-L22 HydrophobicContact CD2-CD1 3.99Å; L19-L22 WeakPolarHBondContact O-CB 3.48Å; L19-L22 PolarHBondContact O-N 2.74Å; L22-T25 PolarHBondContact O-N 3.37Å; L22-A26 WeakPolarHBondContact O-CB 3.32Å; L22-A26 PolarHBondContact O-N 3.24Å
23Q91.1Very high85.8Confident4 Ų459.8 Ų59.82%0.01931%0.308CS..Hα-helixtrans-63.2-41.4173.2-173.4170.555.900111.6L12 S14 L19 R20 A26 L27 I59 V69L12-Q23 PolarHBondContact O-NE2 3.09Å; S14-Q23 PolarHBondContact O-NE2 3.19Å; L19-Q23 PolarHBondContact O-N 3.12Å; R20-Q23 PolarHBondContact O-N 2.86Å; Q23-A26 PolarHBondContact O-N 3.13Å; Q23-L27 VanDerWaalsContact O-CG 3.31Å; Q23-L27 WeakPolarHBondContact O-CG 3.37Å; Q23-L27 PolarHBondContact O-N 3.41Å; Q23-I59 HydrophobicContact CG-CD1 4.15Å; Q23-V69 HydrophobicContact CG-CG1 4.23Å
24L91.9Very high85.8Confident41 Ų4157.1 Ų57.122%0.21529%0.294CS..Hα-helixtrans-64.3-45.3172.1-177.160.4000111.3R20 A26 L27 E28 V69 A72R20-L24 WeakPolarHBondContact O-CB 3.27Å; R20-L24 PolarHBondContact O-N 3.31Å; L24-A26 VanDerWaalsContact C-N 3.29Å; L24-A26 PolarHBondContact O-N 3.49Å; L24-L27 PolarHBondContact O-N 2.64Å; L24-E28 HydrophobicContact CD1-CG 4.35Å; L24-E28 WeakPolarHBondContact O-CG 3.19Å; L24-E28 PolarHBondContact O-N 3Å; L24-V69 HydrophobicContact CB-CG2 4.16Å; L24-A72 HydrophobicContact CD1-CB 3.78Å
25T91Very high86.1Confident68 Ų6861.3 Ų61.342%0.41732%0.315SS..Hα-helixtrans-59.3-40175.9-56.50000111.6E21 L22 E28 Q29E21-T25 WeakPolarHBondContact O-CB 3.28Å; E21-T25 PolarHBondContact O-N 3.35Å; E21-T25 PolarHBondContact O-OG1 2.93Å; L22-T25 PolarHBondContact O-N 3.37Å; T25-E28 PolarHBondContact O-N 2.92Å; T25-Q29 WeakPolarHBondContact O-CB 3.5Å; T25-Q29 PolarHBondContact O-N 3.11Å
26A92.3Very high86.9Confident0 Ų064 Ų640%032%0.319CS..Hα-helixtrans-64.4-43.1175.400000112.2V8 W11 L12 L22 Q23 L24 L30V8-A26 HydrophobicContact CG1-CB 4.16Å; W11-A26 HydrophobicContact CB-CB 3.76Å; W11-A26 HydrophobicContact CE3-CB 4.12Å; L12-A26 HydrophobicContact CD2-CB 4.1Å; L12-A26 HydrophobicContact CG-CB 4.15Å; L22-A26 WeakPolarHBondContact O-CB 3.32Å; L22-A26 PolarHBondContact O-N 3.24Å; Q23-A26 PolarHBondContact O-N 3.13Å; L24-A26 VanDerWaalsContact C-N 3.29Å; L24-A26 PolarHBondContact O-N 3.49Å; A26-L30 VanDerWaalsContact O-CB 3.23Å; A26-L30 WeakPolarHBondContact O-CB 3.36Å; A26-L30 PolarHBondContact O-N 2.98Å
27L93.9Very high87.4Confident0 Ų061.3 Ų61.30%031%0.308CS..Hα-helixtrans-66.1-41.8175.8-73.7168.7000112.2L12 Q23 L24 L30 C31 L56 I59 V69 A72 N73 A76L12-L27 HydrophobicContact CD2-CD2 3.5Å; L12-L27 VanDerWaalsContact CD2-CD2 3.5Å; L12-L27 HydrophobicContact CD2-CG 3.63Å; Q23-L27 VanDerWaalsContact O-CG 3.31Å; Q23-L27 WeakPolarHBondContact O-CG 3.37Å; Q23-L27 PolarHBondContact O-N 3.41Å; L24-L27 PolarHBondContact O-N 2.64Å; L27-L30 PolarHBondContact O-N 3.33Å; L27-C31 WeakPolarHBondContact O-CB 3.27Å; L27-C31 PolarHBondContact O-N 3.23Å; L27-L56 HydrophobicContact CD2-CD2 3.43Å; L27-L56 VanDerWaalsContact CD2-CD2 3.43Å; L27-I59 HydrophobicContact CD1-CD1 4.37Å; L27-I59 HydrophobicContact CD2-CD1 4.38Å; L27-V69 HydrophobicContact CD1-CG1 3.89Å; L27-V69 WeakPolarHBondContact CD1-O 3.39Å; L27-A72 HydrophobicContact CB-CB 3.88Å; L27-A72 HydrophobicContact CD1-CB 4.11Å; L27-N73 HydrophobicContact CD1-CB 3.99Å; L27-N73 HydrophobicContact CD2-CB 4.09Å; L27-A76 HydrophobicContact CD2-CB 4.3Å
28E92.4Very high88Confident91 Ų9164.4 Ų64.443%0.42532%0.324SS..Hα-helixtrans-66.6-43.3176.1-73-176.6174.100111.7L24 T25 C31 N32L24-E28 HydrophobicContact CD1-CG 4.35Å; L24-E28 WeakPolarHBondContact O-CG 3.19Å; L24-E28 PolarHBondContact O-N 3Å; T25-E28 PolarHBondContact O-N 2.92Å; E28-C31 PolarHBondContact O-N 3.37Å; E28-N32 PolarHBondContact O-N 3.25Å; E28-N32 PolarHBondContact O-ND2 3.04Å
29Q90.3Very high88.5Confident35 Ų3559.3 Ų59.316%0.16430%0.303CS..Hα-helixtrans-62.2-46.6173.4-165.5-163.7-29.100110.7T25 C31 N32 E33T25-Q29 WeakPolarHBondContact O-CB 3.5Å; T25-Q29 PolarHBondContact O-N 3.11Å; Q29-C31 VanDerWaalsContact C-N 3.34Å; Q29-C31 PolarHBondContact O-N 2.75Å; Q29-N32 WeakPolarHBondContact O-CB 3.45Å; Q29-N32 PolarHBondContact O-N 3.38Å; Q29-N32 VanDerWaalsContact O-N 3.1Å; Q29-E33 HydrophobicContact CG-CG 4.07Å; Q29-E33 PolarHBondContact NE2-OE1 3.38Å; Q29-E33 WeakPolarHBondContact O-CG 3.44Å; Q29-E33 PolarHBondContact O-N 2.86Å
30L91.6Very high88.7Confident1 Ų159.5 Ų59.51%0.00531%0.307CS..Hα-helixtrans-59.5-43.7177.8-176.861.2000111.7L12 A26 L27 N32 E33 V34 F43 Y47 F52 L56 Y80L12-L30 HydrophobicContact CD1-CD2 4.11Å; A26-L30 VanDerWaalsContact O-CB 3.23Å; A26-L30 WeakPolarHBondContact O-CB 3.36Å; A26-L30 PolarHBondContact O-N 2.98Å; L27-L30 PolarHBondContact O-N 3.33Å; L30-N32 VanDerWaalsContact C-N 3.33Å; L30-N32 PolarHBondContact O-N 3.35Å; L30-E33 PolarHBondContact O-N 3.01Å; L30-V34 WeakPolarHBondContact O-CG2 3.25Å; L30-V34 PolarHBondContact O-N 3.14Å; L30-F43 HydrophobicContact CD1-CE2 4.48Å; L30-F43 HydrophobicContact CD1-CZ 4.3Å; L30-Y47 HydrophobicContact CD1-CD1 3.86Å; L30-Y47 HydrophobicContact CD1-CE1 4.37Å; L30-Y47 HydrophobicContact CD1-CG 4.02Å; L30-F52 HydrophobicContact CD1-CD1 4.46Å; L30-F52 HydrophobicContact CD2-CD1 4.17Å; L30-L56 HydrophobicContact CD2-CD1 4.18Å; L30-L56 HydrophobicContact CD2-CD2 4.03Å; L30-Y80 HydrophobicContact CD1-CE2 4.33Å; L30-Y80 HydrophobicContact CD2-CE2 4.2Å; L30-Y80 HydrophobicContact CG-CE2 4.44Å
31C92.5Very high88.6Confident5 Ų564.2 Ų64.23%0.03433%0.333CS..Hα-helixtrans-55.9-45.6172.4-87.20000112.4L27 E28 Q29 L35 Y79L27-C31 WeakPolarHBondContact O-CB 3.27Å; L27-C31 PolarHBondContact O-N 3.23Å; E28-C31 PolarHBondContact O-N 3.37Å; Q29-C31 VanDerWaalsContact C-N 3.34Å; Q29-C31 PolarHBondContact O-N 2.75Å; C31-L35 VanDerWaalsContact O-CB 3.27Å; C31-L35 WeakPolarHBondContact O-CB 3.46Å; C31-L35 PolarHBondContact O-N 2.67Å; C31-Y79 HydrophobicContact CB-CD2 4.27Å; C31-Y79 HydrophobicContact CB-CE2 3.92Å
32N90.2Very high88.6Confident81 Ų8160.3 Ų60.343%0.43332%0.32SS..Hα-helixtrans-65.8-43.7177.7-73.2-55.6000111.7E28 Q29 L30 V34 L35 F36E28-N32 PolarHBondContact O-N 3.25Å; E28-N32 PolarHBondContact O-ND2 3.04Å; Q29-N32 WeakPolarHBondContact O-CB 3.45Å; Q29-N32 PolarHBondContact O-N 3.38Å; Q29-N32 VanDerWaalsContact O-N 3.1Å; L30-N32 VanDerWaalsContact C-N 3.33Å; L30-N32 PolarHBondContact O-N 3.35Å; N32-V34 VanDerWaalsContact C-N 3.3Å; N32-V34 PolarHBondContact O-N 3.5Å; N32-L35 PolarHBondContact O-N 3.24Å; N32-F36 HydrophobicContact CB-CD2 4.08Å; N32-F36 HydrophobicContact CB-CE2 4.19Å; N32-F36 WeakPolarHBondContact O-CB 3.41Å; N32-F36 WeakPolarHBondContact O-CD2 3.27Å; N32-F36 PolarHBondContact O-N 3.26Å
33E87.6Confident88.6Confident47 Ų4757.3 Ų57.322%0.2230%0.304CS..Hα-helixtrans-66.7-30-179.1-58.3-105.2163.200112.1Q29 L30 S37 F43 R46 Y47Q29-E33 HydrophobicContact CG-CG 4.07Å; Q29-E33 PolarHBondContact NE2-OE1 3.38Å; Q29-E33 WeakPolarHBondContact O-CG 3.44Å; Q29-E33 PolarHBondContact O-N 2.86Å; L30-E33 PolarHBondContact O-N 3.01Å; E33-S37 WeakPolarHBondContact O-CB 3.37Å; E33-F43 HydrophobicContact CB-CE2 4.41Å; E33-R46 IonicContact OE2-CZ 2.72Å; E33-R46 IonicContact OE2-NE 2.77Å; E33-Y47 HydrophobicContact CB-CD2 4.49Å; E33-Y47 HydrophobicContact CB-CE2 3.72Å; E33-Y47 HydrophobicContact CG-CE2 4.08Å; E33-Y47 WeakPolarHBondContact OE2-CE2 3.34Å; E33-Y47 PolarHBondContact OE2-OH 2.94Å
34V86.5Confident88.5Confident12 Ų1259.2 Ų59.27%0.07331%0.312CS..Hα-helixtrans-71.9-45.8170.1-1620000110.7L30 N32 F36 S37 F43 Y79 V83L30-V34 WeakPolarHBondContact O-CG2 3.25Å; L30-V34 PolarHBondContact O-N 3.14Å; N32-V34 VanDerWaalsContact C-N 3.3Å; N32-V34 PolarHBondContact O-N 3.5Å; V34-F36 PolarHBondContact O-N 3.39Å; V34-S37 PolarHBondContact O-N 2.85Å; V34-F43 HydrophobicContact CB-CE1 4.49Å; V34-F43 HydrophobicContact CB-CE2 4.09Å; V34-F43 HydrophobicContact CB-CZ 3.99Å; V34-F43 HydrophobicContact CG1-CD1 4.49Å; V34-F43 HydrophobicContact CG1-CE1 4.06Å; V34-F43 HydrophobicContact CG1-CE2 4.45Å; V34-F43 HydrophobicContact CG1-CZ 4.07Å; V34-F43 HydrophobicContact CG2-CE1 4.04Å; V34-F43 HydrophobicContact CG2-CE2 3.62Å; V34-F43 HydrophobicContact CG2-CZ 3.27Å; V34-Y79 HydrophobicContact CB-CD2 4.42Å; V34-V83 HydrophobicContact CG1-CG2 3.72Å
35L85.7Confident88.4Confident104 Ų10464.9 Ų64.955%0.54534%0.338SS..Hα-helixtrans-70.4-29.9-172.8-172.866.3000113.6C31 N32C31-L35 VanDerWaalsContact O-CB 3.27Å; C31-L35 WeakPolarHBondContact O-CB 3.46Å; C31-L35 PolarHBondContact O-N 2.67Å; N32-L35 PolarHBondContact O-N 3.24Å
36F85.6Confident88.3Confident153 Ų15365.6 Ų65.667%0.67133%0.333SS*.THydrogen-bonded Turntrans-10210179.8-63.2-62.2000114N32 V34 D38N32-F36 HydrophobicContact CB-CD2 4.08Å; N32-F36 HydrophobicContact CB-CE2 4.19Å; N32-F36 WeakPolarHBondContact O-CB 3.41Å; N32-F36 WeakPolarHBondContact O-CD2 3.27Å; N32-F36 PolarHBondContact O-N 3.26Å; V34-F36 PolarHBondContact O-N 3.39Å; F36-D38 PolarHBondContact O-N 3.39Å
37S83.2Confident88.3Confident43 Ų4365.7 Ų65.730%0.30133%0.333SS..  trans-84.3112.6174.7-169.90000112.2E33 V34 N39E33-S37 WeakPolarHBondContact O-CB 3.37Å; V34-S37 PolarHBondContact O-N 2.85Å; S37-N39 PolarHBondContact O-N 3.38Å; S37-N39 PolarHBondContact OG-N 2.94Å; S37-N39 PolarHBondContact OG-O 2.82Å
38D82.8Confident88.1Confident175 Ų17567.2 Ų67.294%0.93634%0.343SS*.SBendtrans-65-11.1169.2-66.8-38000113.3F36F36-D38 PolarHBondContact O-N 3.39Å
39N85.1Confident88.1Confident73 Ų7364 Ų6439%0.3933%0.33SS..  trans-141.4116.2-174.4-172.4-36.1000112.7S37 D41 V42 F43S37-N39 PolarHBondContact O-N 3.38Å; S37-N39 PolarHBondContact OG-N 2.94Å; S37-N39 PolarHBondContact OG-O 2.82Å; N39-D41 PolarHBondContact OD1-N 3.47Å; N39-V42 HydrophobicContact CB-CB 4.11Å; N39-V42 HydrophobicContact CB-CG2 4.08Å; N39-V42 PolarHBondContact OD1-N 3.35Å; N39-V42 VanDerWaalsContact OD1-N 3.16Å; N39-F43 WeakPolarHBondContact O-CB 3.35Å; N39-F43 PolarHBondContact O-N 3.35Å
40V84.7Confident88.2Confident65 Ų6571.4 Ų71.439%0.39436%0.356SS..Hα-helixtrans-64.9-40.8-179.4173.80000112.8F43 F44 V83V40-F43 PolarHBondContact O-N 3.04Å; V40-F44 HydrophobicContact CG1-CD2 3.9Å; V40-F44 HydrophobicContact CG1-CE2 3.77Å; V40-F44 HydrophobicContact CG1-CZ 4.34Å; V40-F44 PolarHBondContact O-N 2.76Å; V40-V83 HydrophobicContact CB-CG1 4.17Å; V40-V83 HydrophobicContact CG1-CG1 3.42Å; V40-V83 VanDerWaalsContact CG1-CG1 3.42Å; V40-V83 HydrophobicContact CG2-CG1 3.82Å
41D86.5Confident88.2Confident119 Ų11976 Ų7664%0.63638%0.38SS*.Hα-helixtrans-67.4-45.2-178.6-64.4-46.9000110.4N39 F43 F44 E45N39-D41 PolarHBondContact OD1-N 3.47Å; D41-F43 VanDerWaalsContact C-N 3.32Å; D41-F43 PolarHBondContact O-N 2.8Å; D41-F44 CarbonylContact O-C 3.53Å; D41-F44 PolarHBondContact O-N 3.29Å; D41-F44 VanDerWaalsContact O-N 3.16Å; D41-E45 WeakPolarHBondContact O-CG 3.43Å; D41-E45 PolarHBondContact O-N 3.19Å
42V86.3Confident88.2Confident79 Ų7975.9 Ų75.948%0.47938%0.38SS..Hα-helixtrans-63.3-38.4175.8177.10000111.4N39 E45 R46N39-V42 HydrophobicContact CB-CB 4.11Å; N39-V42 HydrophobicContact CB-CG2 4.08Å; N39-V42 PolarHBondContact OD1-N 3.35Å; N39-V42 VanDerWaalsContact OD1-N 3.16Å; V42-E45 PolarHBondContact O-N 2.95Å; V42-R46 PolarHBondContact O-N 3.41Å
43F88.8Confident88.4Confident7 Ų772 Ų723%0.03136%0.359CS..Hα-helixtrans-63-43.1173.1175.1-99000111.9L30 E33 V34 N39 V40 D41 R46 Y47 Y80L30-F43 HydrophobicContact CD1-CE2 4.48Å; L30-F43 HydrophobicContact CD1-CZ 4.3Å; E33-F43 HydrophobicContact CB-CE2 4.41Å; V34-F43 HydrophobicContact CB-CE1 4.49Å; V34-F43 HydrophobicContact CB-CE2 4.09Å; V34-F43 HydrophobicContact CB-CZ 3.99Å; V34-F43 HydrophobicContact CG1-CD1 4.49Å; V34-F43 HydrophobicContact CG1-CE1 4.06Å; V34-F43 HydrophobicContact CG1-CE2 4.45Å; V34-F43 HydrophobicContact CG1-CZ 4.07Å; V34-F43 HydrophobicContact CG2-CE1 4.04Å; V34-F43 HydrophobicContact CG2-CE2 3.62Å; V34-F43 HydrophobicContact CG2-CZ 3.27Å; N39-F43 WeakPolarHBondContact O-CB 3.35Å; N39-F43 PolarHBondContact O-N 3.35Å; V40-F43 PolarHBondContact O-N 3.04Å; D41-F43 VanDerWaalsContact C-N 3.32Å; D41-F43 PolarHBondContact O-N 2.8Å; F43-R46 PolarHBondContact O-N 3.16Å; F43-Y47 AromaticContact CD2-CD2 3.64Å; F43-Y47 HydrophobicContact CD2-CD2 3.64Å; F43-Y47 HydrophobicContact CD2-CE2 4.36Å; F43-Y47 AromaticContact CE2-CD2 3.34Å; F43-Y47 HydrophobicContact CE2-CD2 3.34Å; F43-Y47 HydrophobicContact CE2-CE2 4.13Å; F43-Y47 AromaticContact CE2-CG 3.9Å; F43-Y47 HydrophobicContact CE2-CG 3.9Å; F43-Y47 HydrophobicContact CZ-CD2 4.15Å; F43-Y47 HydrophobicContact CZ-CG 4.29Å; F43-Y47 PolarHBondContact O-N 2.87Å; F43-Y80 HydrophobicContact CE1-CD1 4.35Å; F43-Y80 AromaticContact CE1-CE1 3.74Å; F43-Y80 HydrophobicContact CE1-CE1 3.74Å; F43-Y80 AromaticContact CE1-CZ 3.89Å; F43-Y80 HydrophobicContact CZ-CE1 4.19Å; F43-Y80 HydrophobicContact CZ-CE2 4.33Å; F43-Y80 AromaticContact CZ-CZ 3.83Å
44F90.4Very high88.7Confident44 Ų4472.3 Ų72.319%0.19337%0.365CS..Hα-helixtrans-76.1-18.1177-72.5-17000114.4V40 D41 P48 P49 Y80 V83V40-F44 HydrophobicContact CG1-CD2 3.9Å; V40-F44 HydrophobicContact CG1-CE2 3.77Å; V40-F44 HydrophobicContact CG1-CZ 4.34Å; V40-F44 PolarHBondContact O-N 2.76Å; D41-F44 CarbonylContact O-C 3.53Å; D41-F44 PolarHBondContact O-N 3.29Å; D41-F44 VanDerWaalsContact O-N 3.16Å; F44-P48 WeakPolarHBondContact O-CA 3.27Å; F44-P48 WeakPolarHBondContact O-CB 3.42Å; F44-P49 HydrophobicContact CD1-CG 3.46Å; F44-P49 VanDerWaalsContact CD1-CG 3.46Å; F44-P49 HydrophobicContact CD2-CG 4.3Å; F44-P49 HydrophobicContact CE1-CG 3.5Å; F44-P49 VanDerWaalsContact CE1-CG 3.5Å; F44-P49 HydrophobicContact CE2-CG 4.32Å; F44-P49 HydrophobicContact CG-CG 3.88Å; F44-P49 HydrophobicContact CZ-CG 3.94Å; F44-Y80 HydrophobicContact CD1-CE1 4.27Å; F44-Y80 AromaticContact CE1-CD1 3.84Å; F44-Y80 HydrophobicContact CE1-CD1 3.84Å; F44-Y80 AromaticContact CE1-CE1 3.89Å; F44-Y80 HydrophobicContact CE1-CE1 3.89Å; F44-V83 HydrophobicContact CE1-CG1 3.97Å; F44-V83 HydrophobicContact CE2-CG1 4.15Å; F44-V83 HydrophobicContact CZ-CB 4.37Å; F44-V83 HydrophobicContact CZ-CG1 3.55Å
45E89Confident88.9Confident160 Ų16071.8 Ų71.875%0.74836%0.362SS*.Hα-helixtrans-71.6-42.2165.2-75.6-174.9163.500111.3D41 V42D41-E45 WeakPolarHBondContact O-CG 3.43Å; D41-E45 PolarHBondContact O-N 3.19Å; V42-E45 PolarHBondContact O-N 2.95Å
46R89Confident89.3Confident84 Ų8466.9 Ų66.932%0.31734%0.336SS..Hα-helixtrans-77.1-44.7-179.1-171.3175.3-174.8143.817.2113.7E2 P5 E33 V42 F43 P48E2-R46 IonicContact OE2-CZ 2.64Å; E2-R46 IonicContact OE2-NH1 2.8Å; E2-R46 PolarHBondContact OE2-NH1 3.48Å; E2-R46 IonicContact OE2-NH2 3.35Å; E2-R46 PolarHBondContact OE2-NH2 2.86Å; P5-R46 VanDerWaalsContact CB-O 3.29Å; P5-R46 WeakPolarHBondContact CB-O 3.47Å; P5-R46 HydrophobicContact CG-CG 4.29Å; E33-R46 IonicContact OE2-CZ 2.72Å; E33-R46 IonicContact OE2-NE 2.77Å; V42-R46 PolarHBondContact O-N 3.41Å; F43-R46 PolarHBondContact O-N 3.16Å; R46-P48 VanDerWaalsContact O-CD 3.31Å; R46-P48 WeakPolarHBondContact O-CD 3.33Å
47Y91.2Very high89.8Confident1 Ų159.8 Ų59.80%0.00431%0.305CS..SBendtrans-121.564.7-177.5-57.7-79.2000111P5 V8 L30 E33 F43 P49 F52 Y80P5-Y47 HydrophobicContact CB-CD1 3.95Å; P5-Y47 HydrophobicContact CB-CE1 3.82Å; V8-Y47 HydrophobicContact CG2-CE1 4.46Å; L30-Y47 HydrophobicContact CD1-CD1 3.86Å; L30-Y47 HydrophobicContact CD1-CE1 4.37Å; L30-Y47 HydrophobicContact CD1-CG 4.02Å; E33-Y47 HydrophobicContact CB-CD2 4.49Å; E33-Y47 HydrophobicContact CB-CE2 3.72Å; E33-Y47 HydrophobicContact CG-CE2 4.08Å; E33-Y47 WeakPolarHBondContact OE2-CE2 3.34Å; E33-Y47 PolarHBondContact OE2-OH 2.94Å; F43-Y47 AromaticContact CD2-CD2 3.64Å; F43-Y47 HydrophobicContact CD2-CD2 3.64Å; F43-Y47 HydrophobicContact CD2-CE2 4.36Å; F43-Y47 AromaticContact CE2-CD2 3.34Å; F43-Y47 HydrophobicContact CE2-CD2 3.34Å; F43-Y47 HydrophobicContact CE2-CE2 4.13Å; F43-Y47 AromaticContact CE2-CG 3.9Å; F43-Y47 HydrophobicContact CE2-CG 3.9Å; F43-Y47 HydrophobicContact CZ-CD2 4.15Å; F43-Y47 HydrophobicContact CZ-CG 4.29Å; F43-Y47 PolarHBondContact O-N 2.87Å; Y47-P49 WeakPolarHBondContact O-CD 3.41Å; Y47-F52 AromaticContact CD1-CE1 3.97Å; Y47-F52 HydrophobicContact CD1-CE1 3.97Å; Y47-F52 HydrophobicContact CD1-CE2 4.02Å; Y47-F52 AromaticContact CD1-CZ 3.65Å; Y47-F52 HydrophobicContact CD1-CZ 3.65Å; Y47-F52 HydrophobicContact CE1-CZ 4.43Å; Y47-Y80 WeakPolarHBondContact CB-OH 3.39Å; Y47-Y80 PolarHBondContact O-OH 3.49Å
48P91.7Very high90.2Very high33 Ų3362.8 Ų62.821%0.21431%0.313CS..  trans-58.5125.7-170.321-33.8000112.7F44 R46 R50 L51 F52F44-P48 WeakPolarHBondContact O-CA 3.27Å; F44-P48 WeakPolarHBondContact O-CB 3.42Å; R46-P48 VanDerWaalsContact O-CD 3.31Å; R46-P48 WeakPolarHBondContact O-CD 3.33Å; P48-R50 PolarHBondContact O-N 3.37Å; P48-L51 HydrophobicContact CG-CD1 4.03Å; P48-L51 HydrophobicContact CG-CG 4.23Å; P48-L51 PolarHBondContact O-N 3.13Å; P48-F52 PolarHBondContact O-N 3.17Å
49P91.5Very high90.7Very high22 Ų2254.7 Ų54.714%0.14327%0.27CS..THydrogen-bonded Turntrans-53.6-15.8175.2-2732.3000114.3F44 Y47 I53 Y80 R90F44-P49 HydrophobicContact CD1-CG 3.46Å; F44-P49 VanDerWaalsContact CD1-CG 3.46Å; F44-P49 HydrophobicContact CD2-CG 4.3Å; F44-P49 HydrophobicContact CE1-CG 3.5Å; F44-P49 VanDerWaalsContact CE1-CG 3.5Å; F44-P49 HydrophobicContact CE2-CG 4.32Å; F44-P49 HydrophobicContact CG-CG 3.88Å; F44-P49 HydrophobicContact CZ-CG 3.94Å; Y47-P49 WeakPolarHBondContact O-CD 3.41Å; P49-I53 HydrophobicContact CB-CD1 3.82Å; P49-I53 HydrophobicContact CB-CG1 4.34Å; P49-I53 WeakPolarHBondContact O-CB 3.32Å; P49-Y80 HydrophobicContact CB-CD1 4.43Å; P49-Y80 HydrophobicContact CB-CE1 4.3Å; P49-Y80 HydrophobicContact CG-CD1 4.13Å; P49-Y80 HydrophobicContact CG-CE1 3.88Å; P49-R90 WeakPolarHBondContact O-CD 3.21Å; P49-R90 PolarHBondContact O-NE 3.39Å; P49-R90 VanDerWaalsContact O-NE 3.14Å
50R91.6Very high91.1Very high191 Ų19151.3 Ų51.372%0.72125%0.251SS*.THydrogen-bonded Turntrans-69.1-29.8176-61.8-171.2-179.3-167.32.4114.1P48 R90P48-R50 PolarHBondContact O-N 3.37Å; R50-R90 PolarHBondContact O-NH2 2.78Å
51L92.1Very high91.4Very high97 Ų9752 Ų5251%0.50825%0.253SS..THydrogen-bonded Turntrans-106.5-47-178.1-57.5-179.5000111.8L9 P48 P54 A55L9-L51 HydrophobicContact CD2-CB 4.13Å; L9-L51 HydrophobicContact CD2-CD1 4.46Å; P48-L51 HydrophobicContact CG-CD1 4.03Å; P48-L51 HydrophobicContact CG-CG 4.23Å; P48-L51 PolarHBondContact O-N 3.13Å; L51-P54 WeakPolarHBondContact O-CD 3.23Å; L51-A55 PolarHBondContact O-N 3.06Å
52F93.5Very high91.6Very high4 Ų447.5 Ų47.52%0.01823%0.228CC..Hα-helixtrans-71.1-44.5-172.9-76.3-90.2000113.4P5 V8 L9 L12 L30 Y47 P48 A55 L56 Y80P5-F52 HydrophobicContact CB-CE2 4.43Å; P5-F52 HydrophobicContact CB-CZ 4.03Å; P5-F52 WeakPolarHBondContact O-CZ 3.42Å; V8-F52 HydrophobicContact CB-CE1 4.36Å; V8-F52 HydrophobicContact CG1-CE1 4.08Å; L9-F52 HydrophobicContact CB-CE1 4.11Å; L9-F52 HydrophobicContact CB-CZ 4.05Å; L9-F52 HydrophobicContact CD1-CD1 4.02Å; L9-F52 HydrophobicContact CD1-CE1 4.02Å; L9-F52 HydrophobicContact CD1-CG 4.29Å; L9-F52 HydrophobicContact CD1-CZ 4.3Å; L12-F52 HydrophobicContact CD1-CD1 3.78Å; L12-F52 HydrophobicContact CD1-CE1 4.03Å; L30-F52 HydrophobicContact CD1-CD1 4.46Å; L30-F52 HydrophobicContact CD2-CD1 4.17Å; Y47-F52 AromaticContact CD1-CE1 3.97Å; Y47-F52 HydrophobicContact CD1-CE1 3.97Å; Y47-F52 HydrophobicContact CD1-CE2 4.02Å; Y47-F52 AromaticContact CD1-CZ 3.65Å; Y47-F52 HydrophobicContact CD1-CZ 3.65Å; Y47-F52 HydrophobicContact CE1-CZ 4.43Å; P48-F52 PolarHBondContact O-N 3.17Å; F52-A55 PolarHBondContact O-N 2.82Å; F52-L56 VanDerWaalsContact O-CG 3.32Å; F52-L56 WeakPolarHBondContact O-CG 3.28Å; F52-L56 PolarHBondContact O-N 3.09Å; F52-Y80 HydrophobicContact CB-CE2 4.41Å; F52-Y80 WeakPolarHBondContact CB-OH 3.5Å
53I93.7Very high91.7Very high0 Ų051.8 Ų51.80%024%0.243CC..Hα-helixtrans-57.7-46.1178.9-65.9178.1000111.9P49 A55 L56 C57 L77 Y80 C87 R90 I91P49-I53 HydrophobicContact CB-CD1 3.82Å; P49-I53 HydrophobicContact CB-CG1 4.34Å; P49-I53 WeakPolarHBondContact O-CB 3.32Å; I53-A55 VanDerWaalsContact C-N 3.32Å; I53-A55 PolarHBondContact O-N 3Å; I53-L56 PolarHBondContact O-N 3.27Å; I53-C57 VanDerWaalsContact O-CB 3.25Å; I53-C57 WeakPolarHBondContact O-CB 3.38Å; I53-C57 PolarHBondContact O-N 3.26Å; I53-C57 PolarHBondContact O-SG 3.4Å; I53-L77 HydrophobicContact CG1-CD2 4.39Å; I53-L77 HydrophobicContact CG2-CD2 4.33Å; I53-Y80 HydrophobicContact CD1-CD1 4.34Å; I53-Y80 HydrophobicContact CG1-CD1 4.35Å; I53-Y80 HydrophobicContact CG1-CG 4.4Å; I53-C87 HydrophobicContact CD1-CB 3.61Å; I53-R90 HydrophobicContact CG2-CG 4.36Å; I53-I91 HydrophobicContact CG2-CG1 3.67Å
54P92.7Very high91.6Very high52 Ų5257.7 Ų57.734%0.33827%0.274SS..Hα-helixtrans-54.5-38.8171.5-30.636.4000115.4L51 C57 K58L51-P54 WeakPolarHBondContact O-CD 3.23Å; P54-C57 WeakPolarHBondContact O-CB 3.2Å; P54-K58 WeakPolarHBondContact O-CG 3.34Å; P54-K58 PolarHBondContact O-N 2.8Å
55A92.5Very high91.6Very high2 Ų255.8 Ų55.82%0.01727%0.267CS..Hα-helixtrans-69.5-49.7176.900000111.6L9 L12 L51 F52 I53 C57 K58 I59L9-A55 HydrophobicContact CD1-CB 3.76Å; L12-A55 HydrophobicContact CB-CB 4.26Å; L51-A55 PolarHBondContact O-N 3.06Å; F52-A55 PolarHBondContact O-N 2.82Å; I53-A55 VanDerWaalsContact C-N 3.32Å; I53-A55 PolarHBondContact O-N 3Å; A55-C57 PolarHBondContact O-N 3.07Å; A55-K58 WeakPolarHBondContact O-CB 3.2Å; A55-K58 PolarHBondContact O-N 3.03Å; A55-I59 PolarHBondContact O-N 2.68Å
56L94.3Very high91.8Very high0 Ų050.5 Ų50.50%025%0.247CC..Hα-helixtrans-57.4-35.1174.9-61.3170.9000112.1L12 L27 L30 F52 I53 I59 N73 A76 L77 Y80L12-L56 HydrophobicContact CD1-CD2 4.18Å; L12-L56 HydrophobicContact CD2-CD2 4.05Å; L27-L56 HydrophobicContact CD2-CD2 3.43Å; L27-L56 VanDerWaalsContact CD2-CD2 3.43Å; L30-L56 HydrophobicContact CD2-CD1 4.18Å; L30-L56 HydrophobicContact CD2-CD2 4.03Å; F52-L56 VanDerWaalsContact O-CG 3.32Å; F52-L56 WeakPolarHBondContact O-CG 3.28Å; F52-L56 PolarHBondContact O-N 3.09Å; I53-L56 PolarHBondContact O-N 3.27Å; L56-I59 PolarHBondContact O-N 3.15Å; L56-N73 WeakPolarHBondContact CA-OD1 3.28Å; L56-N73 WeakPolarHBondContact CB-OD1 3.37Å; L56-N73 WeakPolarHBondContact CD2-OD1 3.37Å; L56-N73 PolarHBondContact O-ND2 3.05Å; L56-N73 PolarHBondContact O-OD1 3Å; L56-A76 HydrophobicContact CD1-CB 4.49Å; L56-A76 HydrophobicContact CD2-CB 4.35Å; L56-L77 HydrophobicContact CB-CD1 4.02Å; L56-L77 HydrophobicContact CB-CD2 3.77Å; L56-L77 HydrophobicContact CB-CG 3.83Å; L56-L77 HydrophobicContact CD1-CD2 3.8Å; L56-L77 HydrophobicContact CD1-CG 4.07Å; L56-L77 HydrophobicContact CG-CD2 4.45Å; L56-Y80 HydrophobicContact CD1-CD2 3.99Å; L56-Y80 HydrophobicContact CD1-CE2 3.91Å
57C94.3Very high91.9Very high4 Ų448.7 Ų48.73%0.02724%0.243CC..Hα-helixtrans-63.7-37172.1-80.90000113.3I53 P54 A55 F60 S94 V97I53-C57 VanDerWaalsContact O-CB 3.25Å; I53-C57 WeakPolarHBondContact O-CB 3.38Å; I53-C57 PolarHBondContact O-N 3.26Å; I53-C57 PolarHBondContact O-SG 3.4Å; P54-C57 WeakPolarHBondContact O-CB 3.2Å; A55-C57 PolarHBondContact O-N 3.07Å; C57-F60 PolarHBondContact O-N 3.25Å; C57-S94 PolarHBondContact SG-OG 2.84Å; C57-V97 HydrophobicContact CB-CG1 4.43Å; C57-V97 HydrophobicContact CB-CG2 3.81Å
58K92.3Very high92Very high107 Ų10750.7 Ų50.747%0.46526%0.257SS..Hα-helixtrans-65.1-39176.3-65.9171.2-167.6171.60111.9D13 P54 A55 F60 L61 D62D13-K58 WeakPolarHBondContact OD1-CD 3.49Å; D13-K58 WeakPolarHBondContact OD1-CE 3.3Å; D13-K58 IonicContact OD1-NZ 3.2Å; D13-K58 PolarHBondContact OD1-NZ 2.95Å; D13-K58 IonicContact OD2-NZ 3.13Å; D13-K58 PolarHBondContact OD2-NZ 2.78Å; P54-K58 WeakPolarHBondContact O-CG 3.34Å; P54-K58 PolarHBondContact O-N 2.8Å; A55-K58 WeakPolarHBondContact O-CB 3.2Å; A55-K58 PolarHBondContact O-N 3.03Å; K58-F60 PolarHBondContact O-N 3.09Å; K58-L61 WeakPolarHBondContact O-CA 3.26Å; K58-L61 WeakPolarHBondContact O-CB 3.44Å; K58-L61 PolarHBondContact O-N 3.14Å; K58-D62 PolarHBondContact O-N 2.97Å
59I93Very high92.1Very high4 Ų449.2 Ų49.22%0.02125%0.248CC..Hα-helixtrans-59.9-33.9-179.1-59.9176.1000110.8L12 Q23 L27 A55 L56 L61 D62 V69 N73L12-I59 HydrophobicContact CB-CD1 4.45Å; L12-I59 HydrophobicContact CD2-CD1 3.84Å; Q23-I59 HydrophobicContact CG-CD1 4.15Å; L27-I59 HydrophobicContact CD1-CD1 4.37Å; L27-I59 HydrophobicContact CD2-CD1 4.38Å; A55-I59 PolarHBondContact O-N 2.68Å; L56-I59 PolarHBondContact O-N 3.15Å; I59-L61 VanDerWaalsContact C-N 3.31Å; I59-L61 PolarHBondContact O-N 3.26Å; I59-D62 PolarHBondContact O-N 3.15Å; I59-V69 HydrophobicContact CG2-CG1 3.76Å; I59-N73 HydrophobicContact CG2-CB 4.09Å
60F93.3Very high92.2Very high2 Ų248.1 Ų48.11%0.00924%0.241CC..Hα-helixtrans-71.5-20.1172.9-96.8-63.9000114.8C57 K58 L70 N73 A74 L77 V97 A100 M101 I122 M125C57-F60 PolarHBondContact O-N 3.25Å; K58-F60 PolarHBondContact O-N 3.09Å; F60-L70 HydrophobicContact CD1-CD2 4.09Å; F60-L70 HydrophobicContact CE1-CD2 4.32Å; F60-N73 WeakPolarHBondContact CD2-ND2 3.49Å; F60-N73 WeakPolarHBondContact CE2-ND2 3.4Å; F60-A74 HydrophobicContact CE2-CB 4.35Å; F60-A74 HydrophobicContact CZ-CB 3.87Å; F60-L77 HydrophobicContact CD2-CD1 3.92Å; F60-L77 HydrophobicContact CE2-CD1 3.94Å; F60-V97 HydrophobicContact CB-CG1 4.43Å; F60-A100 VanDerWaalsContact O-CB 3.24Å; F60-A100 WeakPolarHBondContact O-CB 3.43Å; F60-M101 HydrophobicContact CD1-CG 3.87Å; F60-M101 HydrophobicContact CD2-CE 3.43Å; F60-M101 VanDerWaalsContact CD2-CE 3.43Å; F60-M101 HydrophobicContact CD2-CG 4.31Å; F60-M101 HydrophobicContact CE1-CG 3.97Å; F60-M101 HydrophobicContact CE2-CE 3.65Å; F60-M101 HydrophobicContact CE2-CG 4.4Å; F60-M101 HydrophobicContact CG-CE 3.99Å; F60-M101 HydrophobicContact CG-CG 4.06Å; F60-M101 HydrophobicContact CZ-CE 4.34Å; F60-M101 HydrophobicContact CZ-CG 4.23Å; F60-I122 HydrophobicContact CE1-CD1 4.46Å; F60-I122 HydrophobicContact CE1-CG1 4.47Å; F60-I122 HydrophobicContact CZ-CG1 4.48Å; F60-M125 HydrophobicContact CE2-CE 3.79Å; F60-M125 HydrophobicContact CE2-SD 4.19Å; F60-M125 HydrophobicContact CZ-CE 3.67Å
61L92.4Very high92.4Very high80 Ų8039.8 Ų39.842%0.41921%0.21SC..Hα-helixtrans-89.5-7.2177.5-61.4174.9000113K58 I59 E63 N96 V97 A100K58-L61 WeakPolarHBondContact O-CA 3.26Å; K58-L61 WeakPolarHBondContact O-CB 3.44Å; K58-L61 PolarHBondContact O-N 3.14Å; I59-L61 VanDerWaalsContact C-N 3.31Å; I59-L61 PolarHBondContact O-N 3.26Å; L61-E63 PolarHBondContact O-N 3.41Å; L61-N96 HydrophobicContact CD2-CB 3.93Å; L61-V97 HydrophobicContact CD1-CG2 4.12Å; L61-V97 HydrophobicContact CD2-CG2 4.15Å; L61-V97 HydrophobicContact CG-CG2 4.12Å; L61-A100 HydrophobicContact CD2-CB 4.12Å
62D90.6Very high92.5Very high24 Ų2435.2 Ų35.213%0.12819%0.186CC..  trans-78.6116.4173.9-172.7-12.6000109.6R20 K58 I59 L64 A65 R104R20-D62 IonicContact CZ-OD2 3.97Å; R20-D62 IonicContact NH1-OD2 3.75Å; R20-D62 PolarHBondContact NH1-OD2 2.69Å; R20-D62 IonicContact NH2-OD1 3.89Å; R20-D62 IonicContact NH2-OD2 3.89Å; R20-D62 PolarHBondContact NH2-OD2 3.37Å; K58-D62 PolarHBondContact O-N 2.97Å; I59-D62 PolarHBondContact O-N 3.15Å; D62-L64 VanDerWaalsContact C-N 3.26Å; D62-L64 PolarHBondContact O-N 3.04Å; D62-L64 PolarHBondContact OD1-N 3.39Å; D62-A65 HydrophobicContact CB-CB 3.99Å; D62-A65 PolarHBondContact OD1-N 3.25Å; D62-R104 PolarHBondContact O-NH2 2.96Å
63E86.9Confident92.6Very high170 Ų17035 Ų3579%0.79419%0.185SC*.THydrogen-bonded Turntrans-69.7-24178.3-67.4-172.9173.800112.3L61 R104L61-E63 PolarHBondContact O-N 3.41Å; E63-R104 VanDerWaalsContact CA-NH2 3.32Å; E63-R104 PolarHBondContact O-NH2 3.2Å
64L88.6Confident92.7Very high130 Ų13035 Ų3568%0.68119%0.185SC*.THydrogen-bonded Turntrans-95.7-5.8-177.2-57.2179.2000113.9D62D62-L64 VanDerWaalsContact C-N 3.26Å; D62-L64 PolarHBondContact O-N 3.04Å; D62-L64 PolarHBondContact OD1-N 3.39Å
65A90Very high92.8Very high4 Ų434.8 Ų34.83%0.03318%0.178CC..  trans-61.5128.4178.300000111.7D62 L70D62-A65 HydrophobicContact CB-CB 3.99Å; D62-A65 PolarHBondContact OD1-N 3.25Å; A65-L70 HydrophobicContact CB-CD1 4.42Å; A65-L70 HydrophobicContact CB-CD2 3.86Å; A65-L70 HydrophobicContact CB-CG 3.96Å; A65-L70 WeakPolarHBondContact O-CD1 3.43Å
66P91.7Very high92.9Very high50 Ų5034.7 Ų34.733%0.32518%0.177SC..  trans-76.3154.5-178.231-35.7000112.3S68 V69 L70P66-S68 PolarHBondContact O-N 3.38Å; P66-V69 HydrophobicContact CG-CB 4.09Å; P66-V69 HydrophobicContact CG-CG2 3.82Å; P66-V69 PolarHBondContact O-N 3.21Å; P66-L70 PolarHBondContact O-N 3.34Å
67D93.2Very high92.9Very high45 Ų4534.7 Ų34.724%0.24118%0.177CC..Hα-helixtrans-51.8-33.5-177-71.90.9000114L70 E71 K114 S115 L118D67-L70 PolarHBondContact O-N 3.09Å; D67-E71 WeakPolarHBondContact O-CB 3.25Å; D67-E71 PolarHBondContact O-N 3.09Å; D67-K114 HydrophobicContact CB-CB 4.14Å; D67-S115 VanDerWaalsContact OD2-CA 3.26Å; D67-S115 WeakPolarHBondContact OD2-CA 3.44Å; D67-S115 WeakPolarHBondContact OD2-CB 3.17Å; D67-S115 PolarHBondContact OD2-N 3.35Å; D67-S115 PolarHBondContact OD2-OG 2.97Å; D67-L118 HydrophobicContact CB-CD2 4.41Å
68S92.3Very high92.9Very high44 Ų4434.9 Ų34.931%0.30818%0.178SC..Hα-helixtrans-65.8-41.6176.350.50000113.5P66 A72P66-S68 PolarHBondContact O-N 3.38Å; S68-A72 WeakPolarHBondContact O-CB 3.49Å; S68-A72 PolarHBondContact O-N 3.18Å; S68-A72 VanDerWaalsContact O-N 3.12Å
69V93.7Very high93Very high1 Ų132.6 Ų32.61%0.00617%0.167CC..Hα-helixtrans-71.1-42175.6171.20000109.8Q23 L24 L27 I59 P66 N73Q23-V69 HydrophobicContact CG-CG1 4.23Å; L24-V69 HydrophobicContact CB-CG2 4.16Å; L27-V69 HydrophobicContact CD1-CG1 3.89Å; L27-V69 WeakPolarHBondContact CD1-O 3.39Å; I59-V69 HydrophobicContact CG2-CG1 3.76Å; P66-V69 HydrophobicContact CG-CB 4.09Å; P66-V69 HydrophobicContact CG-CG2 3.82Å; P66-V69 PolarHBondContact O-N 3.21Å; V69-N73 WeakPolarHBondContact O-CB 3.48Å; V69-N73 PolarHBondContact O-N 3.5Å
70L94.5Very high93Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-64.9-39.1176.8-68.8175.7000112.5F60 A65 P66 D67 N73 A74 R104 L118F60-L70 HydrophobicContact CD1-CD2 4.09Å; F60-L70 HydrophobicContact CE1-CD2 4.32Å; A65-L70 HydrophobicContact CB-CD1 4.42Å; A65-L70 HydrophobicContact CB-CD2 3.86Å; A65-L70 HydrophobicContact CB-CG 3.96Å; A65-L70 WeakPolarHBondContact O-CD1 3.43Å; P66-L70 PolarHBondContact O-N 3.34Å; D67-L70 PolarHBondContact O-N 3.09Å; L70-N73 PolarHBondContact O-N 3.26Å; L70-A74 WeakPolarHBondContact O-CB 3.4Å; L70-A74 PolarHBondContact O-N 3.21Å; L70-R104 HydrophobicContact CD1-CG 4.49Å; L70-L118 HydrophobicContact CB-CD1 3.77Å; L70-L118 HydrophobicContact CB-CD2 3.8Å; L70-L118 HydrophobicContact CB-CG 4.45Å; L70-L118 HydrophobicContact CD1-CD2 4.08Å
71E94.9Very high93Very high16 Ų1632.3 Ų32.38%0.07517%0.165CC..Hα-helixtrans-67.5-47.2177.9-175.1-90119.600110.8D67 N73 A74 R75 K114 E117 L118D67-E71 WeakPolarHBondContact O-CB 3.25Å; D67-E71 PolarHBondContact O-N 3.09Å; E71-N73 VanDerWaalsContact C-N 3.3Å; E71-N73 PolarHBondContact O-N 3.29Å; E71-A74 WeakPolarHBondContact O-CB 3.42Å; E71-A74 PolarHBondContact O-N 2.96Å; E71-R75 WeakPolarHBondContact O-CB 3.4Å; E71-R75 PolarHBondContact O-N 3.35Å; E71-R75 IonicContact OE1-CZ 2.7Å; E71-R75 IonicContact OE1-NE 3.92Å; E71-R75 PolarHBondContact OE1-NE 3.36Å; E71-R75 IonicContact OE1-NH2 2.72Å; E71-R75 PolarHBondContact OE1-NH2 2.81Å; E71-R75 IonicContact OE2-CZ 2.91Å; E71-R75 IonicContact OE2-NH2 2.7Å; E71-R75 PolarHBondContact OE2-NH2 3.45Å; E71-K114 IonicContact OE2-NZ 3.78Å; E71-K114 PolarHBondContact OE2-NZ 2.81Å; E71-E117 HydrophobicContact CG-CB 3.99Å; E71-L118 HydrophobicContact CB-CB 4.2Å
72A94.2Very high93Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-61.4-37.617400000112.5L24 L27 S68 R75 A76L24-A72 HydrophobicContact CD1-CB 3.78Å; L27-A72 HydrophobicContact CB-CB 3.88Å; L27-A72 HydrophobicContact CD1-CB 4.11Å; S68-A72 WeakPolarHBondContact O-CB 3.49Å; S68-A72 PolarHBondContact O-N 3.18Å; S68-A72 VanDerWaalsContact O-N 3.12Å; A72-R75 WeakPolarHBondContact O-CB 3.31Å; A72-R75 PolarHBondContact O-N 3.28Å; A72-A76 WeakPolarHBondContact O-CB 3.4Å; A72-A76 PolarHBondContact O-N 2.95Å
73N95.2Very high93Very high0 Ų034.1 Ų34.10%018%0.177CC..Hα-helixtrans-68.5-41.4175.4-171.651.1000112.8L27 L56 I59 F60 V69 L70 E71 R75 A76 L77L27-N73 HydrophobicContact CD1-CB 3.99Å; L27-N73 HydrophobicContact CD2-CB 4.09Å; L56-N73 WeakPolarHBondContact CA-OD1 3.28Å; L56-N73 WeakPolarHBondContact CB-OD1 3.37Å; L56-N73 WeakPolarHBondContact CD2-OD1 3.37Å; L56-N73 PolarHBondContact O-ND2 3.05Å; L56-N73 PolarHBondContact O-OD1 3Å; I59-N73 HydrophobicContact CG2-CB 4.09Å; F60-N73 WeakPolarHBondContact CD2-ND2 3.49Å; F60-N73 WeakPolarHBondContact CE2-ND2 3.4Å; V69-N73 WeakPolarHBondContact O-CB 3.48Å; V69-N73 PolarHBondContact O-N 3.5Å; L70-N73 PolarHBondContact O-N 3.26Å; E71-N73 VanDerWaalsContact C-N 3.3Å; E71-N73 PolarHBondContact O-N 3.29Å; N73-R75 VanDerWaalsContact C-N 3.31Å; N73-R75 PolarHBondContact O-N 2.83Å; N73-A76 PolarHBondContact O-N 3.47Å; N73-L77 WeakPolarHBondContact O-CB 3.4Å; N73-L77 PolarHBondContact O-N 3.4Å
74A96Very high93.2Very high0 Ų027 Ų270%015%0.146CC..Hα-helixtrans-57.8-46.7171.600000110.5F60 L70 E71 L77 T78 L118 Q121 M125F60-A74 HydrophobicContact CE2-CB 4.35Å; F60-A74 HydrophobicContact CZ-CB 3.87Å; L70-A74 WeakPolarHBondContact O-CB 3.4Å; L70-A74 PolarHBondContact O-N 3.21Å; E71-A74 WeakPolarHBondContact O-CB 3.42Å; E71-A74 PolarHBondContact O-N 2.96Å; A74-L77 PolarHBondContact O-N 2.93Å; A74-T78 PolarHBondContact O-N 3.37Å; A74-T78 PolarHBondContact O-OG1 3.34Å; A74-L118 HydrophobicContact CB-CD1 4.4Å; A74-Q121 HydrophobicContact CB-CB 4Å; A74-Q121 HydrophobicContact CB-CG 3.63Å; A74-M125 HydrophobicContact CB-CE 4.32Å
75R94.9Very high93.4Very high48 Ų4823.2 Ų23.218%0.18113%0.126CC..Hα-helixtrans-62.2-46.9179.3-150.3-168-41.9121.2-7.3112.2E71 A72 N73 L77 T78 Y79 Q121E71-R75 WeakPolarHBondContact O-CB 3.4Å; E71-R75 PolarHBondContact O-N 3.35Å; E71-R75 IonicContact OE1-CZ 2.7Å; E71-R75 IonicContact OE1-NE 3.92Å; E71-R75 PolarHBondContact OE1-NE 3.36Å; E71-R75 IonicContact OE1-NH2 2.72Å; E71-R75 PolarHBondContact OE1-NH2 2.81Å; E71-R75 IonicContact OE2-CZ 2.91Å; E71-R75 IonicContact OE2-NH2 2.7Å; E71-R75 PolarHBondContact OE2-NH2 3.45Å; A72-R75 WeakPolarHBondContact O-CB 3.31Å; A72-R75 PolarHBondContact O-N 3.28Å; N73-R75 VanDerWaalsContact C-N 3.31Å; N73-R75 PolarHBondContact O-N 2.83Å; R75-L77 PolarHBondContact O-N 3.42Å; R75-T78 WeakPolarHBondContact O-CB 3.34Å; R75-T78 PolarHBondContact O-N 3.4Å; R75-Y79 HydrophobicContact CG-CE1 4.31Å; R75-Y79 HydrophobicContact CG-CE2 4.19Å; R75-Y79 PolarHBondContact O-N 3.35Å; R75-Q121 HydrophobicContact CB-CG 4.38Å
76A94.6Very high93.4Very high0 Ų028 Ų280%015%0.151CC..Hα-helixtrans-60-45.9176.200000111.8L27 L56 A72 N73 T78 Y79 Y80L27-A76 HydrophobicContact CD2-CB 4.3Å; L56-A76 HydrophobicContact CD1-CB 4.49Å; L56-A76 HydrophobicContact CD2-CB 4.35Å; A72-A76 WeakPolarHBondContact O-CB 3.4Å; A72-A76 PolarHBondContact O-N 2.95Å; N73-A76 PolarHBondContact O-N 3.47Å; A76-T78 VanDerWaalsContact C-N 3.35Å; A76-T78 PolarHBondContact O-N 3.46Å; A76-Y79 PolarHBondContact O-N 2.84Å; A76-Y80 WeakPolarHBondContact O-CD2 3.42Å; A76-Y80 PolarHBondContact O-N 3.01Å
77L95.2Very high93.5Very high0 Ų025.9 Ų25.90%014%0.138CC..Hα-helixtrans-66.1-33.9175.7-77.6170.6000112.9I53 L56 F60 N73 A74 R75 Y80 L81 I91 M101 M125I53-L77 HydrophobicContact CG1-CD2 4.39Å; I53-L77 HydrophobicContact CG2-CD2 4.33Å; L56-L77 HydrophobicContact CB-CD1 4.02Å; L56-L77 HydrophobicContact CB-CD2 3.77Å; L56-L77 HydrophobicContact CB-CG 3.83Å; L56-L77 HydrophobicContact CD1-CD2 3.8Å; L56-L77 HydrophobicContact CD1-CG 4.07Å; L56-L77 HydrophobicContact CG-CD2 4.45Å; F60-L77 HydrophobicContact CD2-CD1 3.92Å; F60-L77 HydrophobicContact CE2-CD1 3.94Å; N73-L77 WeakPolarHBondContact O-CB 3.4Å; N73-L77 PolarHBondContact O-N 3.4Å; A74-L77 PolarHBondContact O-N 2.93Å; R75-L77 PolarHBondContact O-N 3.42Å; L77-Y80 PolarHBondContact O-N 3.24Å; L77-L81 WeakPolarHBondContact O-CD1 3.32Å; L77-L81 VanDerWaalsContact O-CG 3.3Å; L77-L81 WeakPolarHBondContact O-CG 3.38Å; L77-L81 PolarHBondContact O-N 3.3Å; L77-I91 HydrophobicContact CD2-CD1 3.94Å; L77-I91 HydrophobicContact CD2-CG1 4.27Å; L77-M101 HydrophobicContact CD1-CE 4.15Å; L77-M125 HydrophobicContact CB-SD 3.78Å; L77-M125 HydrophobicContact CD1-SD 4.23Å
78T94.4Very high93.6Very high7 Ų723.8 Ų23.84%0.04313%0.126CC..Hα-helixtrans-61.6-48.2170.6-53.80000111A74 R75 A76 Y80 L81 D82 Q121 L128A74-T78 PolarHBondContact O-N 3.37Å; A74-T78 PolarHBondContact O-OG1 3.34Å; R75-T78 WeakPolarHBondContact O-CB 3.34Å; R75-T78 PolarHBondContact O-N 3.4Å; A76-T78 VanDerWaalsContact C-N 3.35Å; A76-T78 PolarHBondContact O-N 3.46Å; T78-Y80 VanDerWaalsContact C-N 3.34Å; T78-Y80 PolarHBondContact O-N 2.86Å; T78-L81 CarbonylContact O-C 3.56Å; T78-L81 WeakPolarHBondContact O-CA 3.3Å; T78-L81 WeakPolarHBondContact O-CB 3.37Å; T78-L81 PolarHBondContact O-N 2.86Å; T78-D82 PolarHBondContact O-N 3.32Å; T78-Q121 VanDerWaalsContact CB-NE2 3.31Å; T78-Q121 PolarHBondContact OG1-NE2 3.11Å; T78-L128 HydrophobicContact CG2-CD1 3.73Å
79Y93.8Very high93.6Very high60 Ų6022.9 Ų22.924%0.23512%0.119CC..Hα-helixtrans-62.5-37.5178-59.6-24.2000112.8C31 V34 R75 A76 L81 D82 V83C31-Y79 HydrophobicContact CB-CD2 4.27Å; C31-Y79 HydrophobicContact CB-CE2 3.92Å; V34-Y79 HydrophobicContact CB-CD2 4.42Å; R75-Y79 HydrophobicContact CG-CE1 4.31Å; R75-Y79 HydrophobicContact CG-CE2 4.19Å; R75-Y79 PolarHBondContact O-N 3.35Å; A76-Y79 PolarHBondContact O-N 2.84Å; Y79-L81 PolarHBondContact O-N 3.32Å; Y79-D82 PolarHBondContact O-N 3.39Å; Y79-V83 WeakPolarHBondContact O-CB 3.4Å; Y79-V83 VanDerWaalsContact O-CG2 3.28Å; Y79-V83 WeakPolarHBondContact O-CG2 3.49Å; Y79-V83 PolarHBondContact O-N 3.48Å
80Y93.6Very high93.6Very high0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-60.8-29.9171.1-93.1-78.5000113.4L30 F43 F44 Y47 P49 F52 I53 L56 A76 L77 T78 S84 C87L30-Y80 HydrophobicContact CD1-CE2 4.33Å; L30-Y80 HydrophobicContact CD2-CE2 4.2Å; L30-Y80 HydrophobicContact CG-CE2 4.44Å; F43-Y80 HydrophobicContact CE1-CD1 4.35Å; F43-Y80 AromaticContact CE1-CE1 3.74Å; F43-Y80 HydrophobicContact CE1-CE1 3.74Å; F43-Y80 AromaticContact CE1-CZ 3.89Å; F43-Y80 HydrophobicContact CZ-CE1 4.19Å; F43-Y80 HydrophobicContact CZ-CE2 4.33Å; F43-Y80 AromaticContact CZ-CZ 3.83Å; F44-Y80 HydrophobicContact CD1-CE1 4.27Å; F44-Y80 AromaticContact CE1-CD1 3.84Å; F44-Y80 HydrophobicContact CE1-CD1 3.84Å; F44-Y80 AromaticContact CE1-CE1 3.89Å; F44-Y80 HydrophobicContact CE1-CE1 3.89Å; Y47-Y80 WeakPolarHBondContact CB-OH 3.39Å; Y47-Y80 PolarHBondContact O-OH 3.49Å; P49-Y80 HydrophobicContact CB-CD1 4.43Å; P49-Y80 HydrophobicContact CB-CE1 4.3Å; P49-Y80 HydrophobicContact CG-CD1 4.13Å; P49-Y80 HydrophobicContact CG-CE1 3.88Å; F52-Y80 HydrophobicContact CB-CE2 4.41Å; F52-Y80 WeakPolarHBondContact CB-OH 3.5Å; I53-Y80 HydrophobicContact CD1-CD1 4.34Å; I53-Y80 HydrophobicContact CG1-CD1 4.35Å; I53-Y80 HydrophobicContact CG1-CG 4.4Å; L56-Y80 HydrophobicContact CD1-CD2 3.99Å; L56-Y80 HydrophobicContact CD1-CE2 3.91Å; A76-Y80 WeakPolarHBondContact O-CD2 3.42Å; A76-Y80 PolarHBondContact O-N 3.01Å; L77-Y80 PolarHBondContact O-N 3.24Å; T78-Y80 VanDerWaalsContact C-N 3.34Å; T78-Y80 PolarHBondContact O-N 2.86Å; Y80-S84 PolarHBondContact O-N 2.94Å; Y80-S84 VanDerWaalsContact O-N 3.15Å; Y80-S84 VanDerWaalsContact O-O 3.09Å; Y80-C87 PolarHBondContact O-SG 3.46Å
81L93.6Very high93.6Very high0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-82.8-37.5177.9-73163.4000112.8L77 T78 Y79 S84 L85 C87 A88 I91 M125 L128 I129L77-L81 WeakPolarHBondContact O-CD1 3.32Å; L77-L81 VanDerWaalsContact O-CG 3.3Å; L77-L81 WeakPolarHBondContact O-CG 3.38Å; L77-L81 PolarHBondContact O-N 3.3Å; T78-L81 CarbonylContact O-C 3.56Å; T78-L81 WeakPolarHBondContact O-CA 3.3Å; T78-L81 WeakPolarHBondContact O-CB 3.37Å; T78-L81 PolarHBondContact O-N 2.86Å; Y79-L81 PolarHBondContact O-N 3.32Å; L81-S84 CarbonylContact O-C 3.58Å; L81-S84 PolarHBondContact O-N 2.98Å; L81-L85 WeakPolarHBondContact O-CD1 3.35Å; L81-L85 PolarHBondContact O-N 2.91Å; L81-L85 VanDerWaalsContact O-N 3.13Å; L81-C87 HydrophobicContact CD2-CB 4.04Å; L81-A88 HydrophobicContact CD2-CB 3.62Å; L81-I91 HydrophobicContact CD1-CD1 3.86Å; L81-I91 HydrophobicContact CD2-CD1 4.03Å; L81-I91 HydrophobicContact CG-CD1 3.98Å; L81-M125 HydrophobicContact CD1-CG 4.05Å; L81-L128 HydrophobicContact CB-CB 4.1Å; L81-L128 HydrophobicContact CB-CD1 3.63Å; L81-L128 HydrophobicContact CB-CG 4.48Å; L81-L128 HydrophobicContact CD1-CB 4.11Å; L81-L128 HydrophobicContact CD1-CD1 4.39Å; L81-I129 HydrophobicContact CD1-CD1 4.24Å; L81-I129 HydrophobicContact CD1-CG1 3.75Å; L81-I129 HydrophobicContact CD2-CG1 4.34Å
82D92.1Very high93.5Very high93 Ų9327.9 Ų27.950%0.49714%0.141SC..Hα-helixtrans-64.8-41.9173.8-68.1-38.9000110.9T78 Y79 L128T78-D82 PolarHBondContact O-N 3.32Å; Y79-D82 PolarHBondContact O-N 3.39Å; D82-L128 VanDerWaalsContact OD1-CD1 3.29Å; D82-L128 WeakPolarHBondContact OD1-CD1 3.23Å
83V90Very high93.4Very high48 Ų4837.3 Ų37.329%0.29118%0.177SC..Hα-helixtrans-69.4-40175.6172.10000111.9V34 V40 F44 Y79V34-V83 HydrophobicContact CG1-CG2 3.72Å; V40-V83 HydrophobicContact CB-CG1 4.17Å; V40-V83 HydrophobicContact CG1-CG1 3.42Å; V40-V83 VanDerWaalsContact CG1-CG1 3.42Å; V40-V83 HydrophobicContact CG2-CG1 3.82Å; F44-V83 HydrophobicContact CE1-CG1 3.97Å; F44-V83 HydrophobicContact CE2-CG1 4.15Å; F44-V83 HydrophobicContact CZ-CB 4.37Å; F44-V83 HydrophobicContact CZ-CG1 3.55Å; Y79-V83 WeakPolarHBondContact O-CB 3.4Å; Y79-V83 VanDerWaalsContact O-CG2 3.28Å; Y79-V83 WeakPolarHBondContact O-CG2 3.49Å; Y79-V83 PolarHBondContact O-N 3.48Å
84S91Very high93.2Very high22 Ų2238.5 Ų38.515%0.15419%0.185CC..  trans-155.1121.4165.1178.40000113.7Y80 L81 D86 C87Y80-S84 PolarHBondContact O-N 2.94Å; Y80-S84 VanDerWaalsContact O-N 3.15Å; Y80-S84 VanDerWaalsContact O-O 3.09Å; L81-S84 CarbonylContact O-C 3.58Å; L81-S84 PolarHBondContact O-N 2.98Å; S84-D86 PolarHBondContact O-N 3.47Å; S84-D86 VanDerWaalsContact O-N 3.07Å; S84-D86 VanDerWaalsContact OG-CB 3.3Å; S84-D86 WeakPolarHBondContact OG-CB 3.25Å; S84-D86 PolarHBondContact OG-N 3.4Å; S84-D86 PolarHBondContact OG-OD2 2.86Å; S84-C87 WeakPolarHBondContact O-CB 3.41Å; S84-C87 PolarHBondContact O-N 3.05Å; S84-C87 PolarHBondContact O-SG 3.19Å
85L92.4Very high92.9Very high50 Ų5043.2 Ų43.226%0.26222%0.216SC..G310 helixtrans-66.4-6170.8-71.991.6000113.5L81 C87 A88 T131 R132L81-L85 WeakPolarHBondContact O-CD1 3.35Å; L81-L85 PolarHBondContact O-N 2.91Å; L81-L85 VanDerWaalsContact O-N 3.13Å; L85-C87 PolarHBondContact O-N 2.97Å; L85-A88 WeakPolarHBondContact O-CB 3.33Å; L85-A88 PolarHBondContact O-N 2.74Å; L85-A88 VanDerWaalsContact O-N 3.08Å; L85-T131 HydrophobicContact CD2-CG2 4.06Å; L85-R132 HydrophobicContact CB-CG 4.41Å; L85-R132 WeakPolarHBondContact O-CD 3.44Å; L85-R132 PolarHBondContact O-NE 2.89Å
86D91.3Very high92.8Very high104 Ų10446.6 Ų46.656%0.55624%0.238SC*.G310 helixtrans-63.6-16.8167.4-58.6-45.4000112.2S84 R132S84-D86 PolarHBondContact O-N 3.47Å; S84-D86 VanDerWaalsContact O-N 3.07Å; S84-D86 VanDerWaalsContact OG-CB 3.3Å; S84-D86 WeakPolarHBondContact OG-CB 3.25Å; S84-D86 PolarHBondContact OG-N 3.4Å; S84-D86 PolarHBondContact OG-OD2 2.86Å; D86-R132 IonicContact OD1-CZ 2.78Å; D86-R132 IonicContact OD1-NH1 2.8Å; D86-R132 PolarHBondContact OD1-NH1 3.43Å; D86-R132 IonicContact OD1-NH2 2.68Å; D86-R132 PolarHBondContact OD1-NH2 3.08Å
87C92.6Very high92.8Very high6 Ų646.6 Ų46.64%0.04124%0.238CC..G310 helixtrans-68.8-28.4170.6-640000113.2I53 Y80 L81 S84 L85 R90 I91I53-C87 HydrophobicContact CD1-CB 3.61Å; Y80-C87 PolarHBondContact O-SG 3.46Å; L81-C87 HydrophobicContact CD2-CB 4.04Å; S84-C87 WeakPolarHBondContact O-CB 3.41Å; S84-C87 PolarHBondContact O-N 3.05Å; S84-C87 PolarHBondContact O-SG 3.19Å; L85-C87 PolarHBondContact O-N 2.97Å; C87-R90 WeakPolarHBondContact O-CA 3.28Å; C87-R90 VanDerWaalsContact O-CB 3.26Å; C87-R90 WeakPolarHBondContact O-CB 3.33Å; C87-R90 PolarHBondContact O-N 2.97Å; C87-I91 PolarHBondContact O-N 2.94Å; C87-I91 VanDerWaalsContact O-N 3.11Å
88A95Very high92.8Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-60.6-47.9-174.800000113.7L81 L85 R90 I91 A92 I129 R132L81-A88 HydrophobicContact CD2-CB 3.62Å; L85-A88 WeakPolarHBondContact O-CB 3.33Å; L85-A88 PolarHBondContact O-N 2.74Å; L85-A88 VanDerWaalsContact O-N 3.08Å; A88-R90 PolarHBondContact O-N 3.39Å; A88-R90 VanDerWaalsContact O-N 3.14Å; A88-I91 PolarHBondContact O-N 3.19Å; A88-A92 VanDerWaalsContact O-CB 3.32Å; A88-A92 WeakPolarHBondContact O-CB 3.27Å; A88-A92 PolarHBondContact O-N 2.66Å; A88-I129 HydrophobicContact CB-CG1 4.45Å; A88-R132 HydrophobicContact CB-CB 4.29Å
89P93.2Very high92.9Very high25 Ų2549.7 Ų49.716%0.16226%0.256CS..Hα-helixtrans-58.9-20.9171.2-26.735.7000114.8R93 E133P89-R93 WeakPolarHBondContact O-CB 3.29Å; P89-R93 WeakPolarHBondContact O-CD 3.11Å; P89-R93 WeakPolarHBondContact O-CG 3.37Å; P89-R93 PolarHBondContact O-N 3.26Å; P89-R93 PolarHBondContact O-NE 3.2Å; P89-E133 HydrophobicContact CB-CG 4.41Å; P89-E133 WeakPolarHBondContact CB-OE1 3.31Å; P89-E133 HydrophobicContact CG-CG 4.17Å; P89-E133 WeakPolarHBondContact CG-OE1 3.34Å
90R92.8Very high92.9Very high103 Ų10347.8 Ų47.839%0.38925%0.253SS..Hα-helixtrans-80.5-43.1177.5-159.7-179.7-164.383.87.9111.5P49 R50 I53 C87 A88 S94P49-R90 WeakPolarHBondContact O-CD 3.21Å; P49-R90 PolarHBondContact O-NE 3.39Å; P49-R90 VanDerWaalsContact O-NE 3.14Å; R50-R90 PolarHBondContact O-NH2 2.78Å; I53-R90 HydrophobicContact CG2-CG 4.36Å; C87-R90 WeakPolarHBondContact O-CA 3.28Å; C87-R90 VanDerWaalsContact O-CB 3.26Å; C87-R90 WeakPolarHBondContact O-CB 3.33Å; C87-R90 PolarHBondContact O-N 2.97Å; A88-R90 PolarHBondContact O-N 3.39Å; A88-R90 VanDerWaalsContact O-N 3.14Å; R90-S94 PolarHBondContact O-OG 2.81Å; R90-S94 VanDerWaalsContact O-OG 3.11Å
91I94.6Very high93Very high0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-64.8-49.1173.8-59.2168.4000109.5I53 L77 L81 C87 A88 R93 S94 V97 M101 I129I53-I91 HydrophobicContact CG2-CG1 3.67Å; L77-I91 HydrophobicContact CD2-CD1 3.94Å; L77-I91 HydrophobicContact CD2-CG1 4.27Å; L81-I91 HydrophobicContact CD1-CD1 3.86Å; L81-I91 HydrophobicContact CD2-CD1 4.03Å; L81-I91 HydrophobicContact CG-CD1 3.98Å; C87-I91 PolarHBondContact O-N 2.94Å; C87-I91 VanDerWaalsContact O-N 3.11Å; A88-I91 PolarHBondContact O-N 3.19Å; I91-R93 PolarHBondContact O-N 3.24Å; I91-R93 VanDerWaalsContact O-N 3.16Å; I91-S94 VanDerWaalsContact O-CB 3.29Å; I91-S94 WeakPolarHBondContact O-CB 3.32Å; I91-S94 PolarHBondContact O-N 3.44Å; I91-V97 HydrophobicContact CG2-CG1 4.31Å; I91-M101 HydrophobicContact CG2-CE 4.22Å; I91-I129 HydrophobicContact CB-CD1 4.44Å; I91-I129 HydrophobicContact CD1-CD1 4.37Å; I91-I129 HydrophobicContact CG2-CD1 3.88Å
92A93.1Very high93Very high19 Ų1948.1 Ų48.116%0.15726%0.255CS..Hα-helixtrans-63.7-21.6-177.600000114.9A88 L98 E133 A136A88-A92 VanDerWaalsContact O-CB 3.32Å; A88-A92 WeakPolarHBondContact O-CB 3.27Å; A88-A92 PolarHBondContact O-N 2.66Å; A92-L98 HydrophobicContact CB-CD1 4.19Å; A92-E133 HydrophobicContact CB-CB 3.82Å; A92-E133 HydrophobicContact CB-CG 3.84Å; A92-A136 HydrophobicContact CB-CB 3.84Å
93R92.6Very high93.1Very high198 Ų19847.3 Ų47.375%0.74726%0.256SS*.THydrogen-bonded Turntrans-88.9-7.9173.8-71.4171.8-163.5-171.54.2113.8P89 I91P89-R93 WeakPolarHBondContact O-CB 3.29Å; P89-R93 WeakPolarHBondContact O-CD 3.11Å; P89-R93 WeakPolarHBondContact O-CG 3.37Å; P89-R93 PolarHBondContact O-N 3.26Å; P89-R93 PolarHBondContact O-NE 3.2Å; I91-R93 PolarHBondContact O-N 3.24Å; I91-R93 VanDerWaalsContact O-N 3.16Å
94S91.2Very high93.3Very high25 Ų2547.8 Ų47.818%0.17525%0.253CS..SBendtrans-76.6121.8176.2-59.40000108.9C57 R90 I91 N96 V97C57-S94 PolarHBondContact SG-OG 2.84Å; R90-S94 PolarHBondContact O-OG 2.81Å; R90-S94 VanDerWaalsContact O-OG 3.11Å; I91-S94 VanDerWaalsContact O-CB 3.29Å; I91-S94 WeakPolarHBondContact O-CB 3.32Å; I91-S94 PolarHBondContact O-N 3.44Å; S94-N96 PolarHBondContact O-N 3.29Å; S94-V97 VanDerWaalsContact CB-CG2 3.49Å; S94-V97 PolarHBondContact O-N 2.97Å
95P89Confident93.5Very high100 Ų10046.9 Ų46.965%0.64925%0.247SC*.THydrogen-bonded Turntrans-62.9139.2-171.526.1-34.8000111.2V97P95-V97 PolarHBondContact O-N 3.15Å
96N92.4Very high93.5Very high118 Ų11848 Ų4863%0.63125%0.253SS*.THydrogen-bonded Turntrans59.8-2.5177.3-54.2-6.3000117L61 S94 T99 A100L61-N96 HydrophobicContact CD2-CB 3.93Å; S94-N96 PolarHBondContact O-N 3.29Å; N96-T99 VanDerWaalsContact C-OG1 3.24Å; N96-T99 WeakPolarHBondContact CA-OG1 3.26Å; N96-T99 PolarHBondContact O-N 3.32Å; N96-T99 PolarHBondContact O-OG1 3.49Å; N96-A100 WeakPolarHBondContact O-CB 3.36Å; N96-A100 PolarHBondContact O-N 2.91Å
97V95.2Very high93.5Very high1 Ų146.3 Ų46.31%0.00625%0.253CS..Hα-helixtrans-64.2-46.7-177175.30000111.5C57 F60 L61 I91 S94 P95 T99 A100 M101C57-V97 HydrophobicContact CB-CG1 4.43Å; C57-V97 HydrophobicContact CB-CG2 3.81Å; F60-V97 HydrophobicContact CB-CG1 4.43Å; L61-V97 HydrophobicContact CD1-CG2 4.12Å; L61-V97 HydrophobicContact CD2-CG2 4.15Å; L61-V97 HydrophobicContact CG-CG2 4.12Å; I91-V97 HydrophobicContact CG2-CG1 4.31Å; S94-V97 VanDerWaalsContact CB-CG2 3.49Å; S94-V97 PolarHBondContact O-N 2.97Å; P95-V97 PolarHBondContact O-N 3.15Å; V97-T99 VanDerWaalsContact C-N 3.32Å; V97-T99 PolarHBondContact O-N 3.05Å; V97-A100 PolarHBondContact O-N 2.9Å; V97-M101 HydrophobicContact CG1-CE 3.49Å; V97-M101 VanDerWaalsContact CG1-CE 3.49Å; V97-M101 HydrophobicContact CG1-SD 4.16Å; V97-M101 WeakPolarHBondContact O-CG 3.45Å; V97-M101 PolarHBondContact O-N 2.97Å
98L95.6Very high93.5Very high10 Ų1046.4 Ų46.45%0.05225%0.254CS..Hα-helixtrans-64.8-35.9176.8-64.3-178.7000112.2A92 A100 M101 T102 L126 I129 A136 V137 A140A92-L98 HydrophobicContact CB-CD1 4.19Å; L98-A100 VanDerWaalsContact C-N 3.35Å; L98-M101 HydrophobicContact CD2-SD 3.99Å; L98-M101 PolarHBondContact O-N 3.33Å; L98-T102 WeakPolarHBondContact O-CG2 3.32Å; L98-T102 PolarHBondContact O-N 3.48Å; L98-T102 PolarHBondContact O-OG1 2.94Å; L98-L126 HydrophobicContact CD2-CD2 4.36Å; L98-I129 HydrophobicContact CD2-CD1 4.06Å; L98-I129 HydrophobicContact CD2-CG2 4.31Å; L98-A136 HydrophobicContact CD1-CB 3.68Å; L98-V137 HydrophobicContact CD1-CG2 4.28Å; L98-A140 HydrophobicContact CB-CB 3.47Å; L98-A140 VanDerWaalsContact CB-CB 3.47Å; L98-A140 HydrophobicContact CD1-CB 4.5Å
99T94.9Very high93.3Very high61 Ų6150.1 Ų50.137%0.37427%0.273SS..Hα-helixtrans-70.7-3017645.60000112.7N96 V97 T102 S103 A140N96-T99 VanDerWaalsContact C-OG1 3.24Å; N96-T99 WeakPolarHBondContact CA-OG1 3.26Å; N96-T99 PolarHBondContact O-N 3.32Å; N96-T99 PolarHBondContact O-OG1 3.49Å; V97-T99 VanDerWaalsContact C-N 3.32Å; V97-T99 PolarHBondContact O-N 3.05Å; T99-T102 WeakPolarHBondContact CA-OG1 3.34Å; T99-T102 PolarHBondContact O-OG1 3.42Å; T99-T102 VanDerWaalsContact O-OG1 3.07Å; T99-S103 VanDerWaalsContact O-CB 3.28Å; T99-S103 WeakPolarHBondContact O-CB 3.47Å; T99-S103 PolarHBondContact O-N 3.46Å; T99-A140 HydrophobicContact CG2-CB 3.8Å
100A94.6Very high93.1Very high20 Ų2050.4 Ų50.417%0.16527%0.273CS..Hα-helixtrans-71.8-43.5172.400000110.9F60 L61 N96 V97 L98 T102 S103 R104F60-A100 VanDerWaalsContact O-CB 3.24Å; F60-A100 WeakPolarHBondContact O-CB 3.43Å; L61-A100 HydrophobicContact CD2-CB 4.12Å; N96-A100 WeakPolarHBondContact O-CB 3.36Å; N96-A100 PolarHBondContact O-N 2.91Å; V97-A100 PolarHBondContact O-N 2.9Å; L98-A100 VanDerWaalsContact C-N 3.35Å; A100-T102 VanDerWaalsContact C-N 3.32Å; A100-T102 PolarHBondContact O-N 3.06Å; A100-S103 PolarHBondContact O-N 3.34Å; A100-R104 WeakPolarHBondContact O-CB 3.29Å; A100-R104 VanDerWaalsContact O-CG 3.32Å; A100-R104 WeakPolarHBondContact O-CG 3.35Å; A100-R104 PolarHBondContact O-N 2.93Å
101M95.5Very high92.9Very high0 Ų051.4 Ų51.40%029%0.291CS..Hα-helixtrans-57.6-41.5173.4-69167.2177.500112.3F60 L77 I91 V97 L98 L105 I122 M125F60-M101 HydrophobicContact CD1-CG 3.87Å; F60-M101 HydrophobicContact CD2-CE 3.43Å; F60-M101 VanDerWaalsContact CD2-CE 3.43Å; F60-M101 HydrophobicContact CD2-CG 4.31Å; F60-M101 HydrophobicContact CE1-CG 3.97Å; F60-M101 HydrophobicContact CE2-CE 3.65Å; F60-M101 HydrophobicContact CE2-CG 4.4Å; F60-M101 HydrophobicContact CG-CE 3.99Å; F60-M101 HydrophobicContact CG-CG 4.06Å; F60-M101 HydrophobicContact CZ-CE 4.34Å; F60-M101 HydrophobicContact CZ-CG 4.23Å; L77-M101 HydrophobicContact CD1-CE 4.15Å; I91-M101 HydrophobicContact CG2-CE 4.22Å; V97-M101 HydrophobicContact CG1-CE 3.49Å; V97-M101 VanDerWaalsContact CG1-CE 3.49Å; V97-M101 HydrophobicContact CG1-SD 4.16Å; V97-M101 WeakPolarHBondContact O-CG 3.45Å; V97-M101 PolarHBondContact O-N 2.97Å; L98-M101 HydrophobicContact CD2-SD 3.99Å; L98-M101 PolarHBondContact O-N 3.33Å; M101-L105 PolarHBondContact O-N 3.36Å; M101-I122 HydrophobicContact CB-CG2 4.49Å; M101-M125 HydrophobicContact CE-CE 3.57Å; M101-M125 HydrophobicContact CE-SD 3.66Å; M101-M125 HydrophobicContact CG-CE 3.94Å; M101-M125 HydrophobicContact SD-CE 3.59Å; M101-M125 VanDerWaalsContact SD-CE 3.59Å; M101-M125 HydrophobicContact SD-SD 4.23Å
102T94.6Very high92.7Very high7 Ų753.4 Ų53.44%0.04330%0.304CS..Hα-helixtrans-72.9-38.5177.3540000112.5L98 T99 A100 R104 L105 D106 A140L98-T102 WeakPolarHBondContact O-CG2 3.32Å; L98-T102 PolarHBondContact O-N 3.48Å; L98-T102 PolarHBondContact O-OG1 2.94Å; T99-T102 WeakPolarHBondContact CA-OG1 3.34Å; T99-T102 PolarHBondContact O-OG1 3.42Å; T99-T102 VanDerWaalsContact O-OG1 3.07Å; A100-T102 VanDerWaalsContact C-N 3.32Å; A100-T102 PolarHBondContact O-N 3.06Å; T102-R104 VanDerWaalsContact C-N 3.35Å; T102-R104 PolarHBondContact O-N 2.71Å; T102-L105 WeakPolarHBondContact O-CB 3.37Å; T102-L105 PolarHBondContact O-N 2.86Å; T102-D106 PolarHBondContact O-N 3.1Å; T102-A140 PolarHBondContact OG1-O 3.39Å
103S94.4Very high92.6Very high76 Ų7655.8 Ų55.853%0.53132%0.324SS..Hα-helixtrans-62.3-38.5171.9-172.40000112.8T99 A100 A107T99-S103 VanDerWaalsContact O-CB 3.28Å; T99-S103 WeakPolarHBondContact O-CB 3.47Å; T99-S103 PolarHBondContact O-N 3.46Å; A100-S103 PolarHBondContact O-N 3.34Å; S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 2.92Å
104R93.6Very high92.6Very high59 Ų5950.2 Ų50.222%0.22331%0.306CS..Hα-helixtrans-67.2-38173.9-68.5-62.5-171.9-178.94.8111.3D62 E63 L70 A100 T102 A107 V108 I122D62-R104 PolarHBondContact O-NH2 2.96Å; E63-R104 VanDerWaalsContact CA-NH2 3.32Å; E63-R104 PolarHBondContact O-NH2 3.2Å; L70-R104 HydrophobicContact CD1-CG 4.49Å; A100-R104 WeakPolarHBondContact O-CB 3.29Å; A100-R104 VanDerWaalsContact O-CG 3.32Å; A100-R104 WeakPolarHBondContact O-CG 3.35Å; A100-R104 PolarHBondContact O-N 2.93Å; T102-R104 VanDerWaalsContact C-N 3.35Å; T102-R104 PolarHBondContact O-N 2.71Å; R104-A107 CarbonylContact O-C 3.12Å; R104-A107 PolarHBondContact O-N 3.46Å; R104-A107 VanDerWaalsContact O-N 3.14Å; R104-V108 WeakPolarHBondContact O-CG2 3.47Å; R104-V108 PolarHBondContact O-N 2.88Å; R104-I122 HydrophobicContact CB-CD1 3.94Å
105L94.7Very high92.6Very high3 Ų349.5 Ų49.52%0.01630%0.3CS..Hα-helixtrans-64.1-39.2175.2-172.467.8000112.8M101 T102 A107 I122 I123 V146 Y149M101-L105 PolarHBondContact O-N 3.36Å; T102-L105 WeakPolarHBondContact O-CB 3.37Å; T102-L105 PolarHBondContact O-N 2.86Å; L105-A107 PolarHBondContact O-N 3.08Å; L105-I122 HydrophobicContact CB-CG2 4.18Å; L105-I122 HydrophobicContact CD1-CB 4.46Å; L105-I122 HydrophobicContact CD1-CG2 4.25Å; L105-I122 HydrophobicContact CD2-CG2 4.49Å; L105-I123 HydrophobicContact CD1-CD1 4.11Å; L105-I123 HydrophobicContact CD1-CG1 4.15Å; L105-I123 HydrophobicContact CD2-CD1 3.81Å; L105-V146 HydrophobicContact CD2-CB 4.42Å; L105-V146 HydrophobicContact CD2-CG2 3.66Å; L105-Y149 HydrophobicContact CD1-CD1 4.06Å; L105-Y149 HydrophobicContact CD1-CD2 3.55Å; L105-Y149 HydrophobicContact CD1-CE1 4.15Å; L105-Y149 HydrophobicContact CD1-CE2 3.66Å; L105-Y149 HydrophobicContact CD1-CG 3.75Å; L105-Y149 HydrophobicContact CG-CD2 4Å; L105-Y149 HydrophobicContact CG-CG 4.07Å
106D92.8Very high92.8Very high74 Ų7446.1 Ų46.140%0.39628%0.277SS..Hα-helixtrans-66.6-20.8173.5-98.4-14.5000113.2T102 R148T102-D106 PolarHBondContact O-N 3.1Å; D106-R148 IonicContact OD1-CZ 3.03Å; D106-R148 IonicContact OD1-NH1 2.62Å; D106-R148 PolarHBondContact OD1-NH1 3.18Å; D106-R148 IonicContact OD2-NH1 3.17Å; D106-R148 PolarHBondContact OD2-NH1 2.87Å
107A92.1Very high92.8Very high68 Ų6844.5 Ų44.556%0.56227%0.265SS*.THydrogen-bonded Turntrans-1027-177.100000114.5S103 R104 L105 D109S103-A107 WeakPolarHBondContact O-CB 3.35Å; S103-A107 PolarHBondContact O-N 2.92Å; R104-A107 CarbonylContact O-C 3.12Å; R104-A107 PolarHBondContact O-N 3.46Å; R104-A107 VanDerWaalsContact O-N 3.14Å; L105-A107 PolarHBondContact O-N 3.08Å; A107-D109 PolarHBondContact O-N 3.44Å
108V92.1Very high92.8Very high8 Ų844.5 Ų44.55%0.04827%0.266CS..  trans-64.7120.4-177.7171.30000111.8R104 M110 S115 Y149R104-V108 WeakPolarHBondContact O-CG2 3.47Å; R104-V108 PolarHBondContact O-N 2.88Å; V108-M110 HydrophobicContact CG1-CE 4.13Å; V108-M110 HydrophobicContact CG1-SD 4.47Å; V108-S115 WeakPolarHBondContact CG1-O 3.33Å; V108-Y149 HydrophobicContact CB-CE2 3.99Å; V108-Y149 HydrophobicContact CG1-CE2 4.01Å; V108-Y149 HydrophobicContact CG2-CE2 4.04Å
109D91.3Very high92.8Very high77 Ų7744 Ų4441%0.41226%0.263SS..  trans-88.1105.5170.5-179.8-0.9000110.6A107 T111 S112 S115A107-D109 PolarHBondContact O-N 3.44Å; D109-T111 VanDerWaalsContact CG-OG1 3.22Å; D109-T111 PolarHBondContact O-N 2.98Å; D109-T111 VanDerWaalsContact O-N 3.12Å; D109-T111 WeakPolarHBondContact OD1-CA 3.41Å; D109-T111 WeakPolarHBondContact OD1-CB 3.41Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.44Å; D109-T111 PolarHBondContact OD1-N 3.14Å; D109-T111 PolarHBondContact OD1-OG1 2.81Å; D109-T111 PolarHBondContact OD2-OG1 2.96Å; D109-T111 VanDerWaalsContact OD2-OG1 3.05Å; D109-S112 PolarHBondContact O-N 3.31Å; D109-S115 PolarHBondContact N-OG 3.12Å; D109-S115 WeakPolarHBondContact O-CB 3.37Å
110M87.9Confident92.7Very high31 Ų3143.2 Ų43.215%0.15326%0.255CS..THydrogen-bonded Turntrans-65.2-10.3178.2-76.6-67.1174.300114.7V108 N116 Y149 Y153 L156 L157V108-M110 HydrophobicContact CG1-CE 4.13Å; V108-M110 HydrophobicContact CG1-SD 4.47Å; M110-N116 HydrophobicContact SD-CB 3.98Å; M110-N116 PolarHBondContact SD-ND2 2.94Å; M110-N116 VanDerWaalsContact SD-ND2 3.44Å; M110-Y149 HydrophobicContact CE-CE2 3.61Å; M110-Y149 WeakPolarHBondContact CE-OH 3.35Å; M110-Y153 HydrophobicContact CB-CE1 4.27Å; M110-Y153 HydrophobicContact CE-CD2 3.44Å; M110-Y153 VanDerWaalsContact CE-CD2 3.44Å; M110-Y153 HydrophobicContact CE-CE2 4.05Å; M110-Y153 HydrophobicContact CE-CG 3.76Å; M110-Y153 HydrophobicContact CG-CD1 3.7Å; M110-Y153 HydrophobicContact CG-CD2 3.8Å; M110-Y153 HydrophobicContact CG-CE1 3.67Å; M110-Y153 HydrophobicContact CG-CE2 3.74Å; M110-Y153 HydrophobicContact CG-CG 3.75Å; M110-Y153 HydrophobicContact SD-CD2 4.44Å; M110-Y153 HydrophobicContact SD-CG 4.42Å; M110-L156 HydrophobicContact CB-CD1 4.3Å; M110-L156 HydrophobicContact CG-CD1 4.33Å; M110-L157 HydrophobicContact CE-CD2 3.97Å
111T88.6Confident92.7Very high125 Ų12543.3 Ų43.377%0.76725%0.252SS*.THydrogen-bonded Turntrans-81.8-22.1171.276.10000112.7D109D109-T111 VanDerWaalsContact CG-OG1 3.22Å; D109-T111 PolarHBondContact O-N 2.98Å; D109-T111 VanDerWaalsContact O-N 3.12Å; D109-T111 WeakPolarHBondContact OD1-CA 3.41Å; D109-T111 WeakPolarHBondContact OD1-CB 3.41Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.44Å; D109-T111 PolarHBondContact OD1-N 3.14Å; D109-T111 PolarHBondContact OD1-OG1 2.81Å; D109-T111 PolarHBondContact OD2-OG1 2.96Å; D109-T111 VanDerWaalsContact OD2-OG1 3.05Å
112S91.5Very high92.8Very high41 Ų4143.3 Ų43.329%0.28725%0.252SS..SBendtrans-90.9115.3174.7171.50000110.3D109 K114 S115 N116D109-S112 PolarHBondContact O-N 3.31Å; S112-K114 PolarHBondContact O-N 2.85Å; S112-S115 PolarHBondContact O-N 2.97Å; S112-S115 VanDerWaalsContact O-N 3.12Å; S112-S115 PolarHBondContact OG-N 3.25Å; S112-N116 PolarHBondContact O-N 3.15Å
113A91.1Very high92.9Very high69 Ų6943 Ų4357%0.5725%0.25SC*.Hα-helixtrans-55-40.917800000112.3N116 E117A113-N116 PolarHBondContact O-N 3.19Å; A113-E117 WeakPolarHBondContact O-CB 3.41Å; A113-E117 VanDerWaalsContact O-CG 3.29Å; A113-E117 WeakPolarHBondContact O-CG 3.25Å; A113-E117 PolarHBondContact O-N 3.15Å
114K90.7Very high92.9Very high82 Ų8243.2 Ų43.236%0.35724%0.241SC..Hα-helixtrans-72.6-32.1178.7-82.1-73.7167.2-153.90113.6D67 E71 S112 E117 L118D67-K114 HydrophobicContact CB-CB 4.14Å; E71-K114 IonicContact OE2-NZ 3.78Å; E71-K114 PolarHBondContact OE2-NZ 2.81Å; S112-K114 PolarHBondContact O-N 2.85Å; K114-E117 WeakPolarHBondContact CD-OE2 3.4Å; K114-E117 WeakPolarHBondContact CE-OE2 3.25Å; K114-E117 IonicContact NZ-OE2 3.56Å; K114-E117 PolarHBondContact NZ-OE2 3.46Å; K114-L118 VanDerWaalsContact O-CB 3.3Å; K114-L118 WeakPolarHBondContact O-CB 3.39Å; K114-L118 PolarHBondContact O-N 3.03Å
115S92.9Very high93Very high9 Ų940.4 Ų40.46%0.06323%0.231CC..Hα-helixtrans-70.6-39.5173.8-136.70000111.4D67 V108 D109 S112 L118 G119D67-S115 VanDerWaalsContact OD2-CA 3.26Å; D67-S115 WeakPolarHBondContact OD2-CA 3.44Å; D67-S115 WeakPolarHBondContact OD2-CB 3.17Å; D67-S115 PolarHBondContact OD2-N 3.35Å; D67-S115 PolarHBondContact OD2-OG 2.97Å; V108-S115 WeakPolarHBondContact CG1-O 3.33Å; D109-S115 PolarHBondContact N-OG 3.12Å; D109-S115 WeakPolarHBondContact O-CB 3.37Å; S112-S115 PolarHBondContact O-N 2.97Å; S112-S115 VanDerWaalsContact O-N 3.12Å; S112-S115 PolarHBondContact OG-N 3.25Å; S115-L118 WeakPolarHBondContact O-CB 3.37Å; S115-L118 PolarHBondContact O-N 3.31Å; S115-G119 PolarHBondContact O-N 3.49Å
116N92.3Very high93Very high30 Ų3040.2 Ų40.216%0.1623%0.23CC..Hα-helixtrans-63.1-48173.3-173.8-12.7000111.4M110 S112 A113 L118 G119 Q120M110-N116 HydrophobicContact SD-CB 3.98Å; M110-N116 PolarHBondContact SD-ND2 2.94Å; M110-N116 VanDerWaalsContact SD-ND2 3.44Å; S112-N116 PolarHBondContact O-N 3.15Å; A113-N116 PolarHBondContact O-N 3.19Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 3.29Å; N116-G119 PolarHBondContact O-N 3.35Å; N116-G119 VanDerWaalsContact O-N 3.16Å; N116-Q120 WeakPolarHBondContact O-CG 3.47Å; N116-Q120 PolarHBondContact O-N 3.35Å; N116-Q120 PolarHBondContact OD1-NE2 2.77Å
117E93.2Very high93.2Very high83 Ų8339.5 Ų39.539%0.38822%0.224SC..Hα-helixtrans-57.7-44.1173.9-74170.8178.200112.2E71 A113 K114 Q120 Q121E71-E117 HydrophobicContact CG-CB 3.99Å; A113-E117 WeakPolarHBondContact O-CB 3.41Å; A113-E117 VanDerWaalsContact O-CG 3.29Å; A113-E117 WeakPolarHBondContact O-CG 3.25Å; A113-E117 PolarHBondContact O-N 3.15Å; K114-E117 WeakPolarHBondContact CD-OE2 3.4Å; K114-E117 WeakPolarHBondContact CE-OE2 3.25Å; K114-E117 IonicContact NZ-OE2 3.56Å; K114-E117 PolarHBondContact NZ-OE2 3.46Å; E117-Q120 PolarHBondContact O-N 3.26Å; E117-Q121 WeakPolarHBondContact O-CB 3.45Å; E117-Q121 PolarHBondContact O-N 3.22Å
118L95.1Very high93.3Very high2 Ų237.6 Ų37.61%0.0120%0.204CC..Hα-helixtrans-57.4-48.8172.4172.559.5000111.8D67 L70 E71 A74 K114 S115 N116 Q120 Q121 I122D67-L118 HydrophobicContact CB-CD2 4.41Å; L70-L118 HydrophobicContact CB-CD1 3.77Å; L70-L118 HydrophobicContact CB-CD2 3.8Å; L70-L118 HydrophobicContact CB-CG 4.45Å; L70-L118 HydrophobicContact CD1-CD2 4.08Å; E71-L118 HydrophobicContact CB-CB 4.2Å; A74-L118 HydrophobicContact CB-CD1 4.4Å; K114-L118 VanDerWaalsContact O-CB 3.3Å; K114-L118 WeakPolarHBondContact O-CB 3.39Å; K114-L118 PolarHBondContact O-N 3.03Å; S115-L118 WeakPolarHBondContact O-CB 3.37Å; S115-L118 PolarHBondContact O-N 3.31Å; N116-L118 VanDerWaalsContact C-N 3.34Å; N116-L118 PolarHBondContact O-N 3.29Å; L118-Q120 PolarHBondContact O-N 3.46Å; L118-Q121 PolarHBondContact O-N 3.02Å; L118-I122 HydrophobicContact CD1-CD1 3.69Å; L118-I122 HydrophobicContact CD1-CG1 3.97Å; L118-I122 HydrophobicContact CG-CD1 3.83Å; L118-I122 HydrophobicContact CG-CG1 4.49Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.14Å; L118-I122 PolarHBondContact O-N 3.42Å
119G94.7Very high93.5Very high0 Ų037.2 Ų37.20%020%0.202CC..Hα-helixtrans-58.7-46.9177.600000112.8S115 N116 Q121 I122 I123 Y149S115-G119 PolarHBondContact O-N 3.49Å; N116-G119 PolarHBondContact O-N 3.35Å; N116-G119 VanDerWaalsContact O-N 3.16Å; G119-Q121 VanDerWaalsContact C-N 3.33Å; G119-Q121 PolarHBondContact O-N 3.35Å; G119-I122 PolarHBondContact O-N 2.8Å; G119-I123 WeakPolarHBondContact O-CG1 3.21Å; G119-I123 PolarHBondContact O-N 3.2Å; G119-Y149 VanDerWaalsContact C-OH 3.29Å
120Q93.9Very high93.7Very high44 Ų4433.7 Ų33.721%0.20618%0.183CC..Hα-helixtrans-61.8-39.4175.5-66.8-175.646.900112.3N116 E117 L118 I123 K124 Y149 L157 V161N116-Q120 WeakPolarHBondContact O-CG 3.47Å; N116-Q120 PolarHBondContact O-N 3.35Å; N116-Q120 PolarHBondContact OD1-NE2 2.77Å; E117-Q120 PolarHBondContact O-N 3.26Å; L118-Q120 PolarHBondContact O-N 3.46Å; Q120-I123 PolarHBondContact O-N 3Å; Q120-K124 PolarHBondContact O-N 3.12Å; Q120-Y149 PolarHBondContact N-OH 3.12Å; Q120-L157 HydrophobicContact CG-CD2 4.32Å; Q120-V161 HydrophobicContact CB-CG1 4.33Å; Q120-V161 HydrophobicContact CB-CG2 4.09Å; Q120-V161 HydrophobicContact CG-CG1 4.19Å; Q120-V161 HydrophobicContact CG-CG2 4.13Å
121Q94.5Very high94Very high21 Ų2135.2 Ų35.210%0.09819%0.194CC..Hα-helixtrans-74-34179.4-161.661.326.900112.4A74 R75 T78 E117 L118 G119 K124 M125A74-Q121 HydrophobicContact CB-CB 4Å; A74-Q121 HydrophobicContact CB-CG 3.63Å; R75-Q121 HydrophobicContact CB-CG 4.38Å; T78-Q121 VanDerWaalsContact CB-NE2 3.31Å; T78-Q121 PolarHBondContact OG1-NE2 3.11Å; E117-Q121 WeakPolarHBondContact O-CB 3.45Å; E117-Q121 PolarHBondContact O-N 3.22Å; L118-Q121 PolarHBondContact O-N 3.02Å; G119-Q121 VanDerWaalsContact C-N 3.33Å; G119-Q121 PolarHBondContact O-N 3.35Å; Q121-K124 PolarHBondContact O-N 3.28Å; Q121-M125 WeakPolarHBondContact O-CB 3.46Å; Q121-M125 PolarHBondContact O-N 2.85Å
122I96.5Very high94.2Very high0 Ų034.7 Ų34.70%018%0.178CC..Hα-helixtrans-60.8-43.6169.6-71166.4000110.5F60 M101 R104 L105 L118 G119 K124 M125 L126F60-I122 HydrophobicContact CE1-CD1 4.46Å; F60-I122 HydrophobicContact CE1-CG1 4.47Å; F60-I122 HydrophobicContact CZ-CG1 4.48Å; M101-I122 HydrophobicContact CB-CG2 4.49Å; R104-I122 HydrophobicContact CB-CD1 3.94Å; L105-I122 HydrophobicContact CB-CG2 4.18Å; L105-I122 HydrophobicContact CD1-CB 4.46Å; L105-I122 HydrophobicContact CD1-CG2 4.25Å; L105-I122 HydrophobicContact CD2-CG2 4.49Å; L118-I122 HydrophobicContact CD1-CD1 3.69Å; L118-I122 HydrophobicContact CD1-CG1 3.97Å; L118-I122 HydrophobicContact CG-CD1 3.83Å; L118-I122 HydrophobicContact CG-CG1 4.49Å; L118-I122 VanDerWaalsContact O-CG1 3.31Å; L118-I122 WeakPolarHBondContact O-CG1 3.14Å; L118-I122 PolarHBondContact O-N 3.42Å; G119-I122 PolarHBondContact O-N 2.8Å; I122-K124 PolarHBondContact O-N 3.2Å; I122-M125 HydrophobicContact CG1-CE 4.26Å; I122-M125 PolarHBondContact O-N 3.17Å; I122-L126 HydrophobicContact CG2-CD1 3.7Å; I122-L126 HydrophobicContact CG2-CG 4.1Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 VanDerWaalsContact O-CG 3.29Å; I122-L126 WeakPolarHBondContact O-CG 3.37Å; I122-L126 PolarHBondContact O-N 3.48Å
123I96.4Very high94.2Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-58.6-48.4175.3-67.5-65.7000111.3L105 G119 Q120 M125 L126 Q127 V146 Y149 V161 A164 I168L105-I123 HydrophobicContact CD1-CD1 4.11Å; L105-I123 HydrophobicContact CD1-CG1 4.15Å; L105-I123 HydrophobicContact CD2-CD1 3.81Å; G119-I123 WeakPolarHBondContact O-CG1 3.21Å; G119-I123 PolarHBondContact O-N 3.2Å; Q120-I123 PolarHBondContact O-N 3Å; I123-M125 PolarHBondContact O-N 2.95Å; I123-L126 PolarHBondContact O-N 3.23Å; I123-Q127 PolarHBondContact O-N 3.45Å; I123-V146 HydrophobicContact CD1-CB 4.4Å; I123-V146 HydrophobicContact CD1-CG1 3.87Å; I123-V146 HydrophobicContact CD1-CG2 3.96Å; I123-Y149 HydrophobicContact CD1-CD1 3.99Å; I123-Y149 HydrophobicContact CD1-CE1 4.27Å; I123-Y149 HydrophobicContact CG1-CD1 4.02Å; I123-Y149 HydrophobicContact CG1-CE1 3.78Å; I123-V161 HydrophobicContact CB-CG1 3.98Å; I123-V161 HydrophobicContact CG1-CG1 4.2Å; I123-V161 HydrophobicContact CG2-CG1 3.83Å; I123-A164 HydrophobicContact CG2-CB 3.99Å; I123-I168 HydrophobicContact CG2-CD1 4.31Å; I123-I168 WeakPolarHBondContact O-CD1 3.48Å
124K94.6Very high94.3Very high81 Ų8133.1 Ų33.135%0.35216%0.156SC..Hα-helixtrans-60.2-47.4177.9-68172.9-174171.40112.1Q120 Q121 I122 L126 Q127 L128Q120-K124 PolarHBondContact O-N 3.12Å; Q121-K124 PolarHBondContact O-N 3.28Å; I122-K124 PolarHBondContact O-N 3.2Å; K124-L126 PolarHBondContact O-N 3.32Å; K124-Q127 WeakPolarHBondContact O-CB 3.48Å; K124-Q127 PolarHBondContact O-N 3.48Å; K124-L128 PolarHBondContact O-N 2.9Å
125M95.3Very high94.4Very high0 Ų030.7 Ų30.70%016%0.155CC..Hα-helixtrans-60.4-44.2177.2-178.217651.700112.1F60 A74 L77 L81 M101 Q121 I122 I123 Q127 L128 I129F60-M125 HydrophobicContact CE2-CE 3.79Å; F60-M125 HydrophobicContact CE2-SD 4.19Å; F60-M125 HydrophobicContact CZ-CE 3.67Å; A74-M125 HydrophobicContact CB-CE 4.32Å; L77-M125 HydrophobicContact CB-SD 3.78Å; L77-M125 HydrophobicContact CD1-SD 4.23Å; L81-M125 HydrophobicContact CD1-CG 4.05Å; M101-M125 HydrophobicContact CE-CE 3.57Å; M101-M125 HydrophobicContact CE-SD 3.66Å; M101-M125 HydrophobicContact CG-CE 3.94Å; M101-M125 HydrophobicContact SD-CE 3.59Å; M101-M125 VanDerWaalsContact SD-CE 3.59Å; M101-M125 HydrophobicContact SD-SD 4.23Å; Q121-M125 WeakPolarHBondContact O-CB 3.46Å; Q121-M125 PolarHBondContact O-N 2.85Å; I122-M125 HydrophobicContact CG1-CE 4.26Å; I122-M125 PolarHBondContact O-N 3.17Å; I123-M125 PolarHBondContact O-N 2.95Å; M125-Q127 VanDerWaalsContact C-N 3.33Å; M125-Q127 PolarHBondContact O-N 2.82Å; M125-L128 PolarHBondContact O-N 2.94Å; M125-I129 HydrophobicContact CG-CD1 3.93Å; M125-I129 WeakPolarHBondContact O-CG1 3.41Å; M125-I129 PolarHBondContact O-N 3.22Å
126L96.4Very high94.4Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-66.5-31.5176-71.9177.2000112.3L98 I122 I123 K124 C130 V137 V146 I168L98-L126 HydrophobicContact CD2-CD2 4.36Å; I122-L126 HydrophobicContact CG2-CD1 3.7Å; I122-L126 HydrophobicContact CG2-CG 4.1Å; I122-L126 WeakPolarHBondContact O-CB 3.39Å; I122-L126 VanDerWaalsContact O-CG 3.29Å; I122-L126 WeakPolarHBondContact O-CG 3.37Å; I122-L126 PolarHBondContact O-N 3.48Å; I123-L126 PolarHBondContact O-N 3.23Å; K124-L126 PolarHBondContact O-N 3.32Å; L126-C130 WeakPolarHBondContact O-CB 3.49Å; L126-C130 PolarHBondContact O-N 3.27Å; L126-V137 HydrophobicContact CD2-CG1 4.27Å; L126-V137 HydrophobicContact CD2-CG2 4.43Å; L126-V146 HydrophobicContact CD1-CG2 4.16Å; L126-I168 HydrophobicContact CB-CD1 3.82Å
127Q95.9Very high94.5Very high58 Ų5829.9 Ų29.927%0.27115%0.153SC..Hα-helixtrans-63-45.2174.9-167-167.415.100111.3I123 K124 M125 T131 A164 I168I123-Q127 PolarHBondContact O-N 3.45Å; K124-Q127 WeakPolarHBondContact O-CB 3.48Å; K124-Q127 PolarHBondContact O-N 3.48Å; M125-Q127 VanDerWaalsContact C-N 3.33Å; M125-Q127 PolarHBondContact O-N 2.82Å; Q127-T131 PolarHBondContact O-N 3.05Å; Q127-T131 PolarHBondContact O-OG1 3.1Å; Q127-A164 HydrophobicContact CB-CB 4.42Å; Q127-A164 VanDerWaalsContact CD-CB 3.41Å; Q127-A164 HydrophobicContact CG-CB 4.2Å; Q127-A164 VanDerWaalsContact OE1-CB 3.24Å; Q127-I168 HydrophobicContact CB-CD1 4.07Å; Q127-I168 HydrophobicContact CB-CG1 4.08Å; Q127-I168 HydrophobicContact CG-CG1 4.4Å
128L95.2Very high94.6Very high29 Ų2927.7 Ų27.715%0.15214%0.141CC..Hα-helixtrans-64.3-50175.5-65.2175000111.3T78 L81 D82 K124 M125 C130 T131T78-L128 HydrophobicContact CG2-CD1 3.73Å; L81-L128 HydrophobicContact CB-CB 4.1Å; L81-L128 HydrophobicContact CB-CD1 3.63Å; L81-L128 HydrophobicContact CB-CG 4.48Å; L81-L128 HydrophobicContact CD1-CB 4.11Å; L81-L128 HydrophobicContact CD1-CD1 4.39Å; D82-L128 VanDerWaalsContact OD1-CD1 3.29Å; D82-L128 WeakPolarHBondContact OD1-CD1 3.23Å; K124-L128 PolarHBondContact O-N 2.9Å; M125-L128 PolarHBondContact O-N 2.94Å; L128-C130 PolarHBondContact O-N 3.42Å; L128-T131 WeakPolarHBondContact O-CB 3.39Å; L128-T131 PolarHBondContact O-N 2.92Å; L128-T131 PolarHBondContact O-OG1 3.12Å
129I95.6Very high94.4Very high0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-60.5-44.9178.7-63.6167.9000110.9L81 A88 I91 L98 M125 T131 R132 E133 V137L81-I129 HydrophobicContact CD1-CD1 4.24Å; L81-I129 HydrophobicContact CD1-CG1 3.75Å; L81-I129 HydrophobicContact CD2-CG1 4.34Å; A88-I129 HydrophobicContact CB-CG1 4.45Å; I91-I129 HydrophobicContact CB-CD1 4.44Å; I91-I129 HydrophobicContact CD1-CD1 4.37Å; I91-I129 HydrophobicContact CG2-CD1 3.88Å; L98-I129 HydrophobicContact CD2-CD1 4.06Å; L98-I129 HydrophobicContact CD2-CG2 4.31Å; M125-I129 HydrophobicContact CG-CD1 3.93Å; M125-I129 WeakPolarHBondContact O-CG1 3.41Å; M125-I129 PolarHBondContact O-N 3.22Å; I129-T131 PolarHBondContact O-N 3.45Å; I129-T131 VanDerWaalsContact O-N 3.12Å; I129-R132 PolarHBondContact O-N 3.15Å; I129-R132 VanDerWaalsContact O-N 3.08Å; I129-E133 HydrophobicContact CG2-CB 4.35Å; I129-E133 PolarHBondContact O-N 2.95Å; I129-V137 HydrophobicContact CB-CG2 4.41Å; I129-V137 HydrophobicContact CG2-CG2 3.75Å
130C95.3Very high94.3Very high2 Ų233.6 Ų33.61%0.01418%0.179CC..Hα-helixtrans-65.4-11.9177.6-170.30000113.5L126 L128 V137L126-C130 WeakPolarHBondContact O-CB 3.49Å; L126-C130 PolarHBondContact O-N 3.27Å; L128-C130 PolarHBondContact O-N 3.42Å; C130-V137 HydrophobicContact CB-CG2 4.4Å
131T93.5Very high94.2Very high63 Ų6333.1 Ų33.139%0.38719%0.185SC..Hα-helixtrans-71.1-31171.8-560000111.9L85 Q127 L128 I129 R171L85-T131 HydrophobicContact CD2-CG2 4.06Å; Q127-T131 PolarHBondContact O-N 3.05Å; Q127-T131 PolarHBondContact O-OG1 3.1Å; L128-T131 WeakPolarHBondContact O-CB 3.39Å; L128-T131 PolarHBondContact O-N 2.92Å; L128-T131 PolarHBondContact O-OG1 3.12Å; I129-T131 PolarHBondContact O-N 3.45Å; I129-T131 VanDerWaalsContact O-N 3.12Å; T131-R171 PolarHBondContact OG1-NH1 3.01Å
132R92.8Very high94.1Very high115 Ų11532.1 Ų32.143%0.43418%0.18SC..Hα-helixtrans-112.7-37.5178.2-69.3-155.7-177.4-171.710.8114.6L85 D86 A88 I129 P134L85-R132 HydrophobicContact CB-CG 4.41Å; L85-R132 WeakPolarHBondContact O-CD 3.44Å; L85-R132 PolarHBondContact O-NE 2.89Å; D86-R132 IonicContact OD1-CZ 2.78Å; D86-R132 IonicContact OD1-NH1 2.8Å; D86-R132 PolarHBondContact OD1-NH1 3.43Å; D86-R132 IonicContact OD1-NH2 2.68Å; D86-R132 PolarHBondContact OD1-NH2 3.08Å; A88-R132 HydrophobicContact CB-CB 4.29Å; I129-R132 PolarHBondContact O-N 3.15Å; I129-R132 VanDerWaalsContact O-N 3.08Å; R132-P134 VanDerWaalsContact O-CD 3.3Å; R132-P134 WeakPolarHBondContact O-CD 3.41Å
133E93Very high94Very high54 Ų5432.2 Ų32.225%0.25218%0.181SC..  trans-120.850.3-172.7-65.1-73.3-172.700112.8P89 A92 I129 G135 A136 V137P89-E133 HydrophobicContact CB-CG 4.41Å; P89-E133 WeakPolarHBondContact CB-OE1 3.31Å; P89-E133 HydrophobicContact CG-CG 4.17Å; P89-E133 WeakPolarHBondContact CG-OE1 3.34Å; A92-E133 HydrophobicContact CB-CB 3.82Å; A92-E133 HydrophobicContact CB-CG 3.84Å; I129-E133 HydrophobicContact CG2-CB 4.35Å; I129-E133 PolarHBondContact O-N 2.95Å; E133-G135 PolarHBondContact O-N 3.12Å; E133-G135 VanDerWaalsContact O-N 3.14Å; E133-A136 HydrophobicContact CB-CB 4.24Å; E133-A136 PolarHBondContact O-N 3.17Å; E133-A136 VanDerWaalsContact O-N 3.11Å; E133-V137 PolarHBondContact O-N 3.43Å
134P92.7Very high93.9Very high22 Ų2233.3 Ų33.314%0.14319%0.188CC..Hα-helixtrans-61.8-24.4-179.327.4-35.5000113R132 Y138 L172R132-P134 VanDerWaalsContact O-CD 3.3Å; R132-P134 WeakPolarHBondContact O-CD 3.41Å; P134-Y138 WeakPolarHBondContact O-CB 3.48Å; P134-Y138 PolarHBondContact O-N 3Å; P134-L172 HydrophobicContact CB-CD2 4.4Å; P134-L172 VanDerWaalsContact O-CD2 3.26Å; P134-L172 WeakPolarHBondContact O-CD2 3.48Å
135G92.3Very high93.9Very high31 Ų3129.9 Ų29.932%0.3217%0.174SC..Hα-helixtrans-66.8-40.9174.900000112.9E133 Y138 T139E133-G135 PolarHBondContact O-N 3.12Å; E133-G135 VanDerWaalsContact O-N 3.14Å; G135-Y138 PolarHBondContact O-N 2.83Å; G135-T139 PolarHBondContact O-N 2.92Å; G135-T139 PolarHBondContact O-OG1 3.03Å; G135-T139 VanDerWaalsContact O-OG1 3.12Å
136A93.5Very high93.9Very high21 Ų2129.9 Ų29.917%0.17417%0.174CC..Hα-helixtrans-70.5-38.8178.600000111.9A92 L98 E133 Y138 T139 A140A92-A136 HydrophobicContact CB-CB 3.84Å; L98-A136 HydrophobicContact CD1-CB 3.68Å; E133-A136 HydrophobicContact CB-CB 4.24Å; E133-A136 PolarHBondContact O-N 3.17Å; E133-A136 VanDerWaalsContact O-N 3.11Å; A136-Y138 VanDerWaalsContact C-N 3.34Å; A136-T139 PolarHBondContact O-N 3.23Å; A136-T139 PolarHBondContact O-OG1 3.37Å; A136-A140 WeakPolarHBondContact O-CB 3.36Å; A136-A140 PolarHBondContact O-N 3.1Å; A136-A140 VanDerWaalsContact O-N 3.07Å
137V94.8Very high93.7Very high1 Ų130.2 Ų30.21%0.00618%0.175CC..Hα-helixtrans-67.1-35.6174.7-178.80000111.2L98 L126 I129 C130 E133 G142 L172L98-V137 HydrophobicContact CD1-CG2 4.28Å; L126-V137 HydrophobicContact CD2-CG1 4.27Å; L126-V137 HydrophobicContact CD2-CG2 4.43Å; I129-V137 HydrophobicContact CB-CG2 4.41Å; I129-V137 HydrophobicContact CG2-CG2 3.75Å; C130-V137 HydrophobicContact CB-CG2 4.4Å; E133-V137 PolarHBondContact O-N 3.43Å; V137-G142 WeakPolarHBondContact O-CA 3.41Å; V137-G142 PolarHBondContact O-N 2.69Å; V137-L172 HydrophobicContact CB-CD2 4.01Å; V137-L172 HydrophobicContact CG1-CD1 3.97Å; V137-L172 HydrophobicContact CG1-CD2 4.01Å
138Y93.7Very high93.6Very high38 Ų3832.4 Ų32.415%0.14918%0.181CC..Hα-helixtrans-63.7-52.5172.6-176.9-90.3000111.8P134 G135 A136 A140 G141 L143 R175 A176 D177 D180 W186P134-Y138 WeakPolarHBondContact O-CB 3.48Å; P134-Y138 PolarHBondContact O-N 3Å; G135-Y138 PolarHBondContact O-N 2.83Å; A136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-A140 PolarHBondContact O-N 3.32Å; Y138-G141 PolarHBondContact O-N 3.43Å; Y138-L143 HydrophobicContact CD2-CB 4.43Å; Y138-L143 HydrophobicContact CD2-CD2 4.34Å; Y138-L143 HydrophobicContact CE2-CD2 3.89Å; Y138-R175 HydrophobicContact CD2-CB 4.38Å; Y138-R175 HydrophobicContact CG-CB 4.34Å; Y138-A176 HydrophobicContact CE2-CB 4.19Å; Y138-D177 PolarHBondContact OH-N 3.27Å; Y138-D177 VanDerWaalsContact OH-N 3.11Å; Y138-D180 PolarHBondContact OH-OD2 3.02Å; Y138-W186 HydrophobicContact CE2-CH2 4.38Å; Y138-W186 WeakPolarHBondContact OH-CH2 3.41Å
139T91.8Very high93.5Very high116 Ų11631.2 Ų31.271%0.71218%0.175SC*.Hα-helixtrans-66.6-19-178.351.50000113.7G135 A136 G141G135-T139 PolarHBondContact O-N 2.92Å; G135-T139 PolarHBondContact O-OG1 3.03Å; G135-T139 VanDerWaalsContact O-OG1 3.12Å; A136-T139 PolarHBondContact O-N 3.23Å; A136-T139 PolarHBondContact O-OG1 3.37Å; T139-G141 VanDerWaalsContact C-N 3.28Å; T139-G141 PolarHBondContact O-N 2.88Å
140A92.5Very high93.3Very high10 Ų1031.3 Ų31.38%0.08318%0.175CC..THydrogen-bonded Turntrans-83.18.8171.800000114.8L98 T99 T102 A136 Y138 G142L98-A140 HydrophobicContact CB-CB 3.47Å; L98-A140 VanDerWaalsContact CB-CB 3.47Å; L98-A140 HydrophobicContact CD1-CB 4.5Å; T99-A140 HydrophobicContact CG2-CB 3.8Å; T102-A140 PolarHBondContact OG1-O 3.39Å; A136-A140 WeakPolarHBondContact O-CB 3.36Å; A136-A140 PolarHBondContact O-N 3.1Å; A136-A140 VanDerWaalsContact O-N 3.07Å; Y138-A140 PolarHBondContact O-N 3.32Å; A140-G142 VanDerWaalsContact C-N 3.28Å; A140-G142 PolarHBondContact O-N 3.2Å
141G92.1Very high93.1Very high33 Ų3336.5 Ų36.534%0.3420%0.195SC..THydrogen-bonded Turntrans7514-178.500000114.4Y138 T139 L143 T144 S145Y138-G141 PolarHBondContact O-N 3.43Å; T139-G141 VanDerWaalsContact C-N 3.28Å; T139-G141 PolarHBondContact O-N 2.88Å; G141-L143 PolarHBondContact O-N 3.33Å; G141-T144 PolarHBondContact O-N 2.97Å; G141-S145 PolarHBondContact O-N 2.94Å; G141-S145 PolarHBondContact O-OG 3.36Å
142G93.2Very high92.8Very high0 Ų038 Ų380%020%0.199CC..Hα-helixtrans-62.2-28.4-175.100000114.3V137 A140 V146V137-G142 WeakPolarHBondContact O-CA 3.41Å; V137-G142 PolarHBondContact O-N 2.69Å; A140-G142 VanDerWaalsContact C-N 3.28Å; A140-G142 PolarHBondContact O-N 3.2Å; G142-V146 WeakPolarHBondContact O-CB 3.49Å; G142-V146 VanDerWaalsContact O-CG2 3.25Å; G142-V146 WeakPolarHBondContact O-CG2 3.5Å; G142-V146 PolarHBondContact O-N 3.34Å
143L94.3Very high92.6Very high3 Ų335.5 Ų35.52%0.01619%0.191CC..Hα-helixtrans-61.3-59.4177.5176.655.7000111Y138 G141 S145 L147 I169 L172 F173 W186Y138-L143 HydrophobicContact CD2-CB 4.43Å; Y138-L143 HydrophobicContact CD2-CD2 4.34Å; Y138-L143 HydrophobicContact CE2-CD2 3.89Å; G141-L143 PolarHBondContact O-N 3.33Å; L143-S145 VanDerWaalsContact C-N 3.29Å; L143-S145 PolarHBondContact O-N 3.37Å; L143-L147 WeakPolarHBondContact O-CB 3.42Å; L143-L147 PolarHBondContact O-N 3.38Å; L143-I169 HydrophobicContact CD1-CG2 4.36Å; L143-L172 HydrophobicContact CB-CB 4.2Å; L143-L172 HydrophobicContact CB-CD1 3.98Å; L143-L172 HydrophobicContact CD1-CB 4.06Å; L143-F173 HydrophobicContact CD1-CD1 4.46Å; L143-F173 HydrophobicContact CD1-CD2 4.1Å; L143-F173 HydrophobicContact CD1-CE1 4.26Å; L143-F173 HydrophobicContact CD1-CE2 3.92Å; L143-F173 HydrophobicContact CD1-CG 4.39Å; L143-F173 HydrophobicContact CD1-CZ 3.99Å; L143-F173 HydrophobicContact CD2-CD1 3.93Å; L143-F173 HydrophobicContact CD2-CE1 3.83Å; L143-F173 HydrophobicContact CD2-CG 4.5Å; L143-F173 HydrophobicContact CD2-CZ 4.35Å; L143-W186 HydrophobicContact CD2-CD2 4.06Å; L143-W186 HydrophobicContact CD2-CE3 4.22Å; L143-W186 HydrophobicContact CD2-CH2 3.95Å; L143-W186 HydrophobicContact CD2-CZ2 3.77Å; L143-W186 HydrophobicContact CD2-CZ3 4.17Å; L143-W186 HydrophobicContact CG-CZ2 4.32Å
144T93.7Very high92.1Very high23 Ų2333.8 Ų33.814%0.14118%0.184CC..Hα-helixtrans-59.4-40.1-178.9-53.40000112.1G141 R148 W186G141-T144 PolarHBondContact O-N 2.97Å; T144-R148 VanDerWaalsContact O-CB 3.28Å; T144-R148 WeakPolarHBondContact O-CB 3.06Å; T144-R148 PolarHBondContact O-N 3.22Å; T144-W186 PolarHBondContact OG1-NE1 3.19Å
145S94Very high91.7Very high8 Ų839.7 Ų39.76%0.05621%0.21CC..Hα-helixtrans-68.1-49.8-176.7-42.90000111.8G141 L143 R148 Y149G141-S145 PolarHBondContact O-N 2.94Å; G141-S145 PolarHBondContact O-OG 3.36Å; L143-S145 VanDerWaalsContact C-N 3.29Å; L143-S145 PolarHBondContact O-N 3.37Å; S145-R148 PolarHBondContact O-N 3.16Å; S145-Y149 WeakPolarHBondContact O-CB 3.2Å; S145-Y149 PolarHBondContact O-N 3.31Å
146V95.4Very high91.4Very high0 Ų043.4 Ų43.40%022%0.222CC..Hα-helixtrans-66.8-39.41781750000111.3L105 I123 L126 G142 Y149 I150 I168 I169L105-V146 HydrophobicContact CD2-CB 4.42Å; L105-V146 HydrophobicContact CD2-CG2 3.66Å; I123-V146 HydrophobicContact CD1-CB 4.4Å; I123-V146 HydrophobicContact CD1-CG1 3.87Å; I123-V146 HydrophobicContact CD1-CG2 3.96Å; L126-V146 HydrophobicContact CD1-CG2 4.16Å; G142-V146 WeakPolarHBondContact O-CB 3.49Å; G142-V146 VanDerWaalsContact O-CG2 3.25Å; G142-V146 WeakPolarHBondContact O-CG2 3.5Å; G142-V146 PolarHBondContact O-N 3.34Å; V146-Y149 PolarHBondContact O-N 2.98Å; V146-I150 HydrophobicContact CG1-CD1 3.97Å; V146-I150 HydrophobicContact CG1-CG1 4.48Å; V146-I150 WeakPolarHBondContact O-CG1 3.38Å; V146-I150 PolarHBondContact O-N 2.93Å; V146-I168 HydrophobicContact CG1-CB 4.4Å; V146-I168 HydrophobicContact CG1-CG2 4.36Å; V146-I168 HydrophobicContact CG2-CG2 4.29Å; V146-I169 HydrophobicContact CG1-CD1 4.21Å; V146-I169 HydrophobicContact CG1-CG1 3.92Å
147L93Very high91.1Very high7 Ų743.1 Ų43.14%0.03722%0.217CC..Hα-helixtrans-64.6-38.2175.9170.9149.8000112.3L143 R151 I169 F173 W186 A189L143-L147 WeakPolarHBondContact O-CB 3.42Å; L143-L147 PolarHBondContact O-N 3.38Å; L147-R151 VanDerWaalsContact O-CB 3.26Å; L147-R151 WeakPolarHBondContact O-CB 3.43Å; L147-R151 PolarHBondContact O-N 3.21Å; L147-R151 VanDerWaalsContact O-N 3.15Å; L147-I169 HydrophobicContact CB-CD1 3.98Å; L147-I169 HydrophobicContact CB-CG1 4.39Å; L147-F173 HydrophobicContact CD1-CE2 4.23Å; L147-F173 HydrophobicContact CD1-CZ 3.91Å; L147-W186 HydrophobicContact CD1-CB 4.29Å; L147-W186 HydrophobicContact CD1-CG 4.4Å; L147-A189 HydrophobicContact CD1-CB 3.94Å; L147-A189 HydrophobicContact CD2-CB 3.36Å; L147-A189 HydrophobicContact CG-CB 3.66Å
148R92.7Very high90.8Very high104 Ų10448.3 Ų48.339%0.39224%0.241SC..Hα-helixtrans-65.2-49.8172.1-176.6-178.2-66.3133.4-6.3111.2D106 T144 S145 I150 R151 L152D106-R148 IonicContact OD1-CZ 3.03Å; D106-R148 IonicContact OD1-NH1 2.62Å; D106-R148 PolarHBondContact OD1-NH1 3.18Å; D106-R148 IonicContact OD2-NH1 3.17Å; D106-R148 PolarHBondContact OD2-NH1 2.87Å; T144-R148 VanDerWaalsContact O-CB 3.28Å; T144-R148 WeakPolarHBondContact O-CB 3.06Å; T144-R148 PolarHBondContact O-N 3.22Å; S145-R148 PolarHBondContact O-N 3.16Å; R148-I150 PolarHBondContact O-N 3.31Å; R148-R151 PolarHBondContact O-N 3.36Å; R148-L152 HydrophobicContact CG-CD1 3.76Å; R148-L152 HydrophobicContact CG-CG 4.29Å; R148-L152 WeakPolarHBondContact O-CG 3.31Å; R148-L152 PolarHBondContact O-N 3.05Å
149Y93.6Very high90.5Very high5 Ų549.7 Ų49.72%0.0226%0.26CS..Hα-helixtrans-56.7-48.9-178.8-176-99.1000112.5L105 V108 M110 G119 Q120 I123 S145 V146 Y153 L157L105-Y149 HydrophobicContact CD1-CD1 4.06Å; L105-Y149 HydrophobicContact CD1-CD2 3.55Å; L105-Y149 HydrophobicContact CD1-CE1 4.15Å; L105-Y149 HydrophobicContact CD1-CE2 3.66Å; L105-Y149 HydrophobicContact CD1-CG 3.75Å; L105-Y149 HydrophobicContact CG-CD2 4Å; L105-Y149 HydrophobicContact CG-CG 4.07Å; V108-Y149 HydrophobicContact CB-CE2 3.99Å; V108-Y149 HydrophobicContact CG1-CE2 4.01Å; V108-Y149 HydrophobicContact CG2-CE2 4.04Å; M110-Y149 HydrophobicContact CE-CE2 3.61Å; M110-Y149 WeakPolarHBondContact CE-OH 3.35Å; G119-Y149 VanDerWaalsContact C-OH 3.29Å; Q120-Y149 PolarHBondContact N-OH 3.12Å; I123-Y149 HydrophobicContact CD1-CD1 3.99Å; I123-Y149 HydrophobicContact CD1-CE1 4.27Å; I123-Y149 HydrophobicContact CG1-CD1 4.02Å; I123-Y149 HydrophobicContact CG1-CE1 3.78Å; S145-Y149 WeakPolarHBondContact O-CB 3.2Å; S145-Y149 PolarHBondContact O-N 3.31Å; V146-Y149 PolarHBondContact O-N 2.98Å; Y149-Y153 HydrophobicContact CD2-CD2 4.05Å; Y149-Y153 HydrophobicContact CD2-CE2 4.32Å; Y149-Y153 HydrophobicContact CE2-CD2 4.22Å; Y149-Y153 PolarHBondContact O-N 2.86Å; Y149-L157 HydrophobicContact CD1-CD1 4.03Å; Y149-L157 HydrophobicContact CE1-CD1 3.79Å; Y149-L157 HydrophobicContact CE1-CD2 3.5Å; Y149-L157 HydrophobicContact CE1-CG 4.29Å
150I92.1Very high90.4Very high1 Ų149.2 Ų49.21%0.00525%0.253CS..Hα-helixtrans-66.1-39.9177.9-67.1175.7000112V146 R148 P154 L162 G165 M166 I169 L193V146-I150 HydrophobicContact CG1-CD1 3.97Å; V146-I150 HydrophobicContact CG1-CG1 4.48Å; V146-I150 WeakPolarHBondContact O-CG1 3.38Å; V146-I150 PolarHBondContact O-N 2.93Å; R148-I150 PolarHBondContact O-N 3.31Å; I150-P154 WeakPolarHBondContact O-CB 3.12Å; I150-P154 VanDerWaalsContact O-CD 3.27Å; I150-P154 WeakPolarHBondContact O-CD 3.36Å; I150-L162 HydrophobicContact CG2-CD1 3.54Å; I150-G165 VanDerWaalsContact CD1-CA 3.4Å; I150-M166 HydrophobicContact CD1-CG 4.34Å; I150-M166 HydrophobicContact CD1-SD 4.23Å; I150-M166 HydrophobicContact CG2-SD 4.15Å; I150-I169 HydrophobicContact CD1-CD1 3.62Å; I150-L193 HydrophobicContact CG2-CD2 4.12Å
151R89.7Confident90.4Very high112 Ų11248.9 Ų48.942%0.42325%0.25SC..Hα-helixtrans-68.6-34.9-179.1-167.6-173.173.6150.43.2112.6L147 R148 S192L147-R151 VanDerWaalsContact O-CB 3.26Å; L147-R151 WeakPolarHBondContact O-CB 3.43Å; L147-R151 PolarHBondContact O-N 3.21Å; L147-R151 VanDerWaalsContact O-N 3.15Å; R148-R151 PolarHBondContact O-N 3.36Å; R151-S192 VanDerWaalsContact CD-OG 3.25Å; R151-S192 WeakPolarHBondContact CD-OG 3.35Å; R151-S192 WeakPolarHBondContact CG-OG 3.4Å
152L88.7Confident90.4Very high93 Ų9347.9 Ų47.949%0.48724%0.237SC..Hα-helixtrans-77.2-36.6-179.4-70.4177.1000113.1R148R148-L152 HydrophobicContact CG-CD1 3.76Å; R148-L152 HydrophobicContact CG-CG 4.29Å; R148-L152 WeakPolarHBondContact O-CG 3.31Å; R148-L152 PolarHBondContact O-N 3.05Å
153Y87.8Confident90.2Very high64 Ų6451.1 Ų51.125%0.25125%0.252SS..SBendtrans-12229.1-167.5-51.9-51.3000116M110 Y149 H155 L156 L157M110-Y153 HydrophobicContact CB-CE1 4.27Å; M110-Y153 HydrophobicContact CE-CD2 3.44Å; M110-Y153 VanDerWaalsContact CE-CD2 3.44Å; M110-Y153 HydrophobicContact CE-CE2 4.05Å; M110-Y153 HydrophobicContact CE-CG 3.76Å; M110-Y153 HydrophobicContact CG-CD1 3.7Å; M110-Y153 HydrophobicContact CG-CD2 3.8Å; M110-Y153 HydrophobicContact CG-CE1 3.67Å; M110-Y153 HydrophobicContact CG-CE2 3.74Å; M110-Y153 HydrophobicContact CG-CG 3.75Å; M110-Y153 HydrophobicContact SD-CD2 4.44Å; M110-Y153 HydrophobicContact SD-CG 4.42Å; Y149-Y153 HydrophobicContact CD2-CD2 4.05Å; Y149-Y153 HydrophobicContact CD2-CE2 4.32Å; Y149-Y153 HydrophobicContact CE2-CD2 4.22Å; Y149-Y153 PolarHBondContact O-N 2.86Å; Y153-H155 VanDerWaalsContact C-N 3.25Å; Y153-H155 PolarHBondContact O-N 2.97Å; Y153-H155 VanDerWaalsContact O-N 3.09Å; Y153-L156 HydrophobicContact CD1-CD1 4.2Å; Y153-L156 PolarHBondContact O-N 3Å; Y153-L157 WeakPolarHBondContact O-CG 3.45Å; Y153-L157 PolarHBondContact O-N 3.18Å
154P83Confident90.2Very high17 Ų1751.1 Ų51.111%0.1125%0.252CS..THydrogen-bonded Turntrans-64.5-27.8-164.928.9-36000113.9I150I150-P154 WeakPolarHBondContact O-CB 3.12Å; I150-P154 VanDerWaalsContact O-CD 3.27Å; I150-P154 WeakPolarHBondContact O-CD 3.36Å
155H83.7Confident90.2Very high147 Ų14750 Ų5068%0.68125%0.245SC*.THydrogen-bonded Turntrans-88.9-5.7178.2-56.3-68.3000114.1Y153 R196 E198Y153-H155 VanDerWaalsContact C-N 3.25Å; Y153-H155 PolarHBondContact O-N 2.97Å; Y153-H155 VanDerWaalsContact O-N 3.09Å; H155-R196 PolarHBondContact CE1-NH2 3.3Å; H155-E198 IonicContact CE1-OE1 3.04Å; H155-E198 IonicContact ND1-OE1 3.16Å
156L86.3Confident90.1Very high109 Ų10949.7 Ų49.757%0.57124%0.243SC*.THydrogen-bonded Turntrans-102.3-12.9177.3-59.4178.1000112.5M110 Y153M110-L156 HydrophobicContact CB-CD1 4.3Å; M110-L156 HydrophobicContact CG-CD1 4.33Å; Y153-L156 HydrophobicContact CD1-CD1 4.2Å; Y153-L156 PolarHBondContact O-N 3Å
157L87.6Confident90Very high14 Ų1451 Ų517%0.07325%0.25CC..SBendtrans-90141-180-64.3173.4000111M110 Q120 Y149 Y153 V161M110-L157 HydrophobicContact CE-CD2 3.97Å; Q120-L157 HydrophobicContact CG-CD2 4.32Å; Y149-L157 HydrophobicContact CD1-CD1 4.03Å; Y149-L157 HydrophobicContact CE1-CD1 3.79Å; Y149-L157 HydrophobicContact CE1-CD2 3.5Å; Y149-L157 HydrophobicContact CE1-CG 4.29Å; Y153-L157 WeakPolarHBondContact O-CG 3.45Å; Y153-L157 PolarHBondContact O-N 3.18Å; L157-V161 HydrophobicContact CD2-CG1 4.16Å
158H88.1Confident90.1Very high111 Ų11150.7 Ų50.751%0.51425%0.248SC..  trans-62.5147.6169.8-165.1-109.6000110.7D160 V161 L162H158-D160 IonicContact CE1-OD2 3.89Å; H158-D160 PolarHBondContact CE1-OD2 2.9Å; H158-D160 IonicContact ND1-OD2 3.18Å; H158-D160 PolarHBondContact ND1-OD2 3.42Å; H158-D160 PolarHBondContact O-N 2.88Å; H158-D160 VanDerWaalsContact O-N 3.14Å; H158-V161 HydrophobicContact CB-CG2 4.32Å; H158-V161 PolarHBondContact O-N 2.78Å; H158-L162 PolarHBondContact O-N 2.96Å
159A87.1Confident90.2Very high66 Ų6645.7 Ų45.755%0.54523%0.23SC..Hα-helixtrans-53.8-38.4-176.400000112.9V161 L162 Q163A159-V161 PolarHBondContact O-N 2.9Å; A159-L162 PolarHBondContact O-N 3.09Å; A159-Q163 WeakPolarHBondContact O-CB 3.33Å; A159-Q163 PolarHBondContact O-N 2.86Å
160D89.4Confident90.2Very high107 Ų10748.8 Ų48.857%0.57224%0.241SC*.Hα-helixtrans-65.4-37.7176.8-50.2-43.5000112.7H158 A164H158-D160 IonicContact CE1-OD2 3.89Å; H158-D160 PolarHBondContact CE1-OD2 2.9Å; H158-D160 IonicContact ND1-OD2 3.18Å; H158-D160 PolarHBondContact ND1-OD2 3.42Å; H158-D160 PolarHBondContact O-N 2.88Å; H158-D160 VanDerWaalsContact O-N 3.14Å; D160-A164 WeakPolarHBondContact O-CB 3.43Å; D160-A164 PolarHBondContact O-N 2.94Å
161V92.5Very high90.2Very high2 Ų251.1 Ų51.11%0.01225%0.25CS..Hα-helixtrans-72.7-39.1179.1-178.70000110.1Q120 I123 L157 H158 A159 A164 G165Q120-V161 HydrophobicContact CB-CG1 4.33Å; Q120-V161 HydrophobicContact CB-CG2 4.09Å; Q120-V161 HydrophobicContact CG-CG1 4.19Å; Q120-V161 HydrophobicContact CG-CG2 4.13Å; I123-V161 HydrophobicContact CB-CG1 3.98Å; I123-V161 HydrophobicContact CG1-CG1 4.2Å; I123-V161 HydrophobicContact CG2-CG1 3.83Å; L157-V161 HydrophobicContact CD2-CG1 4.16Å; H158-V161 HydrophobicContact CB-CG2 4.32Å; H158-V161 PolarHBondContact O-N 2.78Å; A159-V161 PolarHBondContact O-N 2.9Å; V161-A164 PolarHBondContact O-N 2.98Å; V161-G165 PolarHBondContact O-N 3.48Å
162L91.6Very high90.5Very high13 Ų1345.8 Ų45.87%0.06823%0.23CC..Hα-helixtrans-61.7-48.4173.5-178.855.9000111I150 H158 A159 G165 M166 V201I150-L162 HydrophobicContact CG2-CD1 3.54Å; H158-L162 PolarHBondContact O-N 2.96Å; A159-L162 PolarHBondContact O-N 3.09Å; L162-G165 PolarHBondContact O-N 3.12Å; L162-M166 WeakPolarHBondContact O-CB 3.5Å; L162-M166 VanDerWaalsContact O-CG 3.28Å; L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 3.49Å; L162-V201 HydrophobicContact CD2-CG2 3.79Å; L162-V201 HydrophobicContact CG-CG2 4.08Å
163Q90.6Very high90.7Very high67 Ų6741.4 Ų41.431%0.31321%0.207SC..Hα-helixtrans-64.3-44175.3178.159.439.700112.1A159 G165 M166 D167A159-Q163 WeakPolarHBondContact O-CB 3.33Å; A159-Q163 PolarHBondContact O-N 2.86Å; Q163-G165 PolarHBondContact O-N 2.94Å; Q163-M166 PolarHBondContact O-N 3.4Å; Q163-D167 PolarHBondContact NE2-OD2 3.13Å; Q163-D167 PolarHBondContact O-N 2.89Å
164A93Very high90.7Very high3 Ų340.2 Ų40.23%0.02521%0.208CC..Hα-helixtrans-58.9-45.9177.200000112.1I123 Q127 D160 V161 D167 I168I123-A164 HydrophobicContact CG2-CB 3.99Å; Q127-A164 HydrophobicContact CB-CB 4.42Å; Q127-A164 VanDerWaalsContact CD-CB 3.41Å; Q127-A164 HydrophobicContact CG-CB 4.2Å; Q127-A164 VanDerWaalsContact OE1-CB 3.24Å; D160-A164 WeakPolarHBondContact O-CB 3.43Å; D160-A164 PolarHBondContact O-N 2.94Å; V161-A164 PolarHBondContact O-N 2.98Å; A164-D167 PolarHBondContact O-N 2.8Å; A164-I168 WeakPolarHBondContact O-CG1 3.39Å; A164-I168 PolarHBondContact O-N 3.1Å
165G94.2Very high91Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-63.3-42.9174.900000112.7I150 V161 L162 Q163 D167 I168 I169I150-G165 VanDerWaalsContact CD1-CA 3.4Å; V161-G165 PolarHBondContact O-N 3.48Å; L162-G165 PolarHBondContact O-N 3.12Å; Q163-G165 PolarHBondContact O-N 2.94Å; G165-D167 VanDerWaalsContact C-N 3.31Å; G165-D167 PolarHBondContact O-N 2.97Å; G165-I168 WeakPolarHBondContact O-CB 3.35Å; G165-I168 PolarHBondContact O-N 3.37Å; G165-I169 WeakPolarHBondContact O-CG1 3.49Å; G165-I169 PolarHBondContact O-N 3.3Å
166M92.5Very high91.2Very high1 Ų139 Ų391%0.00520%0.195CC..Hα-helixtrans-64.8-33.4175.5-72.5-58.2-66.900112.5I150 L162 Q163 I169 R170 L193 V201 Q204 A205I150-M166 HydrophobicContact CD1-CG 4.34Å; I150-M166 HydrophobicContact CD1-SD 4.23Å; I150-M166 HydrophobicContact CG2-SD 4.15Å; L162-M166 WeakPolarHBondContact O-CB 3.5Å; L162-M166 VanDerWaalsContact O-CG 3.28Å; L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 3.49Å; Q163-M166 PolarHBondContact O-N 3.4Å; M166-I169 PolarHBondContact O-N 2.98Å; M166-I169 HydrophobicContact SD-CD1 4.13Å; M166-R170 VanDerWaalsContact O-CB 3.25Å; M166-R170 WeakPolarHBondContact O-CB 3.36Å; M166-R170 PolarHBondContact O-N 3.49Å; M166-L193 HydrophobicContact CE-CD1 4.37Å; M166-L193 HydrophobicContact SD-CD1 4.1Å; M166-V201 HydrophobicContact CE-CG1 4.28Å; M166-V201 HydrophobicContact CG-CG1 4.35Å; M166-V201 HydrophobicContact SD-CG1 4.3Å; M166-Q204 HydrophobicContact CB-CB 3.98Å; M166-Q204 HydrophobicContact CB-CG 4.04Å; M166-Q204 HydrophobicContact CE-CB 3.84Å; M166-Q204 HydrophobicContact CG-CB 4.43Å; M166-A205 HydrophobicContact CE-CB 3.86Å
167D92.3Very high91.2Very high27 Ų2737.7 Ų37.714%0.14419%0.189CC..Hα-helixtrans-70-34.7172.7-91.5-46.8000113.2Q163 A164 G165 R170 R171Q163-D167 PolarHBondContact NE2-OD2 3.13Å; Q163-D167 PolarHBondContact O-N 2.89Å; A164-D167 PolarHBondContact O-N 2.8Å; G165-D167 VanDerWaalsContact C-N 3.31Å; G165-D167 PolarHBondContact O-N 2.97Å; D167-R170 IonicContact OD1-CZ 3.19Å; D167-R170 IonicContact OD1-NE 3.96Å; D167-R170 PolarHBondContact OD1-NE 3.04Å; D167-R170 IonicContact OD1-NH2 3.68Å; D167-R170 PolarHBondContact OD1-NH2 3.19Å; D167-R171 WeakPolarHBondContact O-CB 3.36Å; D167-R171 VanDerWaalsContact O-CG 3.29Å; D167-R171 WeakPolarHBondContact O-CG 3.29Å; D167-R171 PolarHBondContact O-N 2.6Å
168I95.2Very high90.9Very high1 Ų138 Ų381%0.00519%0.192CC..Hα-helixtrans-60.9-54.1168.1-65.3163.4000109.4I123 L126 Q127 V146 A164 G165 R170 R171 L172I123-I168 HydrophobicContact CG2-CD1 4.31Å; I123-I168 WeakPolarHBondContact O-CD1 3.48Å; L126-I168 HydrophobicContact CB-CD1 3.82Å; Q127-I168 HydrophobicContact CB-CD1 4.07Å; Q127-I168 HydrophobicContact CB-CG1 4.08Å; Q127-I168 HydrophobicContact CG-CG1 4.4Å; V146-I168 HydrophobicContact CG1-CB 4.4Å; V146-I168 HydrophobicContact CG1-CG2 4.36Å; V146-I168 HydrophobicContact CG2-CG2 4.29Å; A164-I168 WeakPolarHBondContact O-CG1 3.39Å; A164-I168 PolarHBondContact O-N 3.1Å; G165-I168 WeakPolarHBondContact O-CB 3.35Å; G165-I168 PolarHBondContact O-N 3.37Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 2.91Å; I168-R171 CarbonylContact O-C 3.57Å; I168-R171 PolarHBondContact O-N 2.78Å; I168-L172 HydrophobicContact CG2-CD1 3.5Å; I168-L172 VanDerWaalsContact CG2-CD1 3.5Å; I168-L172 HydrophobicContact CG2-CG 3.91Å; I168-L172 WeakPolarHBondContact O-CB 3.45Å; I168-L172 VanDerWaalsContact O-CG 3.32Å; I168-L172 WeakPolarHBondContact O-CG 3.33Å; I168-L172 PolarHBondContact O-N 2.75Å
169I94.8Very high90.7Very high0 Ų036.8 Ų36.80%020%0.201CC..Hα-helixtrans-54.6-49.5-179.7-70.4174.4000111L143 V146 L147 I150 G165 M166 R171 L172 F173 A208L143-I169 HydrophobicContact CD1-CG2 4.36Å; V146-I169 HydrophobicContact CG1-CD1 4.21Å; V146-I169 HydrophobicContact CG1-CG1 3.92Å; L147-I169 HydrophobicContact CB-CD1 3.98Å; L147-I169 HydrophobicContact CB-CG1 4.39Å; I150-I169 HydrophobicContact CD1-CD1 3.62Å; G165-I169 WeakPolarHBondContact O-CG1 3.49Å; G165-I169 PolarHBondContact O-N 3.3Å; M166-I169 PolarHBondContact O-N 2.98Å; M166-I169 HydrophobicContact SD-CD1 4.13Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 3.23Å; I169-L172 PolarHBondContact O-N 2.9Å; I169-F173 HydrophobicContact CG2-CD2 3.54Å; I169-F173 HydrophobicContact CG2-CE2 3.36Å; I169-F173 VanDerWaalsContact O-CD2 3.3Å; I169-F173 WeakPolarHBondContact O-CD2 3.1Å; I169-F173 PolarHBondContact O-N 3.48Å; I169-A208 HydrophobicContact CG2-CB 4.13Å
170R93.5Very high90.7Very high69 Ų6935.8 Ų35.826%0.2619%0.186SC..Hα-helixtrans-55.9-43.5176-178.9-176.766.385.1-5.7112.3M166 D167 I168 R207 A208 N211M166-R170 VanDerWaalsContact O-CB 3.25Å; M166-R170 WeakPolarHBondContact O-CB 3.36Å; M166-R170 PolarHBondContact O-N 3.49Å; D167-R170 IonicContact OD1-CZ 3.19Å; D167-R170 IonicContact OD1-NE 3.96Å; D167-R170 PolarHBondContact OD1-NE 3.04Å; D167-R170 IonicContact OD1-NH2 3.68Å; D167-R170 PolarHBondContact OD1-NH2 3.19Å; I168-R170 VanDerWaalsContact C-N 3.34Å; I168-R170 PolarHBondContact O-N 2.91Å; R170-R207 HydrophobicContact CG-CB 4.43Å; R170-A208 HydrophobicContact CB-CB 4.41Å; R170-N211 PolarHBondContact O-ND2 3.44Å
171R93.3Very high90.6Very high51 Ų5140.6 Ų40.619%0.19220%0.202CC..Hα-helixtrans-70.6-41.5177.8-77.1172.2166.7174.8-6.5112.2T131 D167 I168 I169 S174T131-R171 PolarHBondContact OG1-NH1 3.01Å; D167-R171 WeakPolarHBondContact O-CB 3.36Å; D167-R171 VanDerWaalsContact O-CG 3.29Å; D167-R171 WeakPolarHBondContact O-CG 3.29Å; D167-R171 PolarHBondContact O-N 2.6Å; I168-R171 CarbonylContact O-C 3.57Å; I168-R171 PolarHBondContact O-N 2.78Å; I169-R171 VanDerWaalsContact C-N 3.33Å; I169-R171 PolarHBondContact O-N 3.23Å; R171-S174 WeakPolarHBondContact O-CB 3.48Å; R171-S174 PolarHBondContact O-N 3.35Å; R171-S174 PolarHBondContact O-OG 3.09Å
172L94.6Very high90.4Very high0 Ų043.7 Ų43.70%022%0.219CC..Hα-helixtrans-70.4-36.8-178.9-66.1-177.8000112.8P134 V137 L143 I168 I169 S174 R175 A176P134-L172 HydrophobicContact CB-CD2 4.4Å; P134-L172 VanDerWaalsContact O-CD2 3.26Å; P134-L172 WeakPolarHBondContact O-CD2 3.48Å; V137-L172 HydrophobicContact CB-CD2 4.01Å; V137-L172 HydrophobicContact CG1-CD1 3.97Å; V137-L172 HydrophobicContact CG1-CD2 4.01Å; L143-L172 HydrophobicContact CB-CB 4.2Å; L143-L172 HydrophobicContact CB-CD1 3.98Å; L143-L172 HydrophobicContact CD1-CB 4.06Å; I168-L172 HydrophobicContact CG2-CD1 3.5Å; I168-L172 VanDerWaalsContact CG2-CD1 3.5Å; I168-L172 HydrophobicContact CG2-CG 3.91Å; I168-L172 WeakPolarHBondContact O-CB 3.45Å; I168-L172 VanDerWaalsContact O-CG 3.32Å; I168-L172 WeakPolarHBondContact O-CG 3.33Å; I168-L172 PolarHBondContact O-N 2.75Å; I169-L172 PolarHBondContact O-N 2.9Å; L172-S174 PolarHBondContact O-N 3.3Å; L172-R175 WeakPolarHBondContact O-CA 3.32Å; L172-R175 WeakPolarHBondContact O-CB 3.34Å; L172-R175 PolarHBondContact O-N 2.58Å; L172-A176 PolarHBondContact O-N 3.42Å
173F93.6Very high90.3Very high0 Ų043.7 Ų43.70%022%0.219CC..Hα-helixtrans-61.3-24172.5-82.1-60.6000113.3L143 L147 I169 R175 A176 W186 L190 A208 N211 L212 R215L143-F173 HydrophobicContact CD1-CD1 4.46Å; L143-F173 HydrophobicContact CD1-CD2 4.1Å; L143-F173 HydrophobicContact CD1-CE1 4.26Å; L143-F173 HydrophobicContact CD1-CE2 3.92Å; L143-F173 HydrophobicContact CD1-CG 4.39Å; L143-F173 HydrophobicContact CD1-CZ 3.99Å; L143-F173 HydrophobicContact CD2-CD1 3.93Å; L143-F173 HydrophobicContact CD2-CE1 3.83Å; L143-F173 HydrophobicContact CD2-CG 4.5Å; L143-F173 HydrophobicContact CD2-CZ 4.35Å; L147-F173 HydrophobicContact CD1-CE2 4.23Å; L147-F173 HydrophobicContact CD1-CZ 3.91Å; I169-F173 HydrophobicContact CG2-CD2 3.54Å; I169-F173 HydrophobicContact CG2-CE2 3.36Å; I169-F173 VanDerWaalsContact O-CD2 3.3Å; I169-F173 WeakPolarHBondContact O-CD2 3.1Å; I169-F173 PolarHBondContact O-N 3.48Å; F173-R175 PolarHBondContact O-N 2.89Å; F173-R175 VanDerWaalsContact O-N 3.11Å; F173-A176 HydrophobicContact CD1-CB 4.12Å; F173-A176 PolarHBondContact O-N 2.95Å; F173-W186 HydrophobicContact CE1-CB 4.05Å; F173-W186 HydrophobicContact CE1-CD2 4.2Å; F173-W186 HydrophobicContact CE1-CE3 4.03Å; F173-W186 HydrophobicContact CE1-CG 4.26Å; F173-W186 HydrophobicContact CZ-CB 3.98Å; F173-W186 HydrophobicContact CZ-CG 4.36Å; F173-L190 HydrophobicContact CE1-CD1 4.32Å; F173-L190 HydrophobicContact CE2-CD1 3.74Å; F173-L190 HydrophobicContact CE2-CD2 3.91Å; F173-L190 HydrophobicContact CE2-CG 3.99Å; F173-L190 HydrophobicContact CZ-CD1 3.64Å; F173-L190 HydrophobicContact CZ-CD2 4.47Å; F173-L190 HydrophobicContact CZ-CG 4.05Å; F173-A208 HydrophobicContact CD2-CB 3.9Å; F173-A208 HydrophobicContact CE2-CB 4.38Å; F173-N211 HydrophobicContact CB-CB 4.23Å; F173-L212 HydrophobicContact CB-CB 4.46Å; F173-L212 HydrophobicContact CD1-CB 4.02Å; F173-L212 HydrophobicContact CD1-CD1 4.06Å; F173-L212 HydrophobicContact CD1-CD2 4.19Å; F173-L212 HydrophobicContact CD1-CG 4.31Å; F173-L212 HydrophobicContact CE1-CD1 4.45Å; F173-L212 HydrophobicContact CE1-CD2 4Å; F173-L212 HydrophobicContact CG-CB 4.39Å; F173-R215 WeakPolarHBondContact O-CG 3.4Å
174S88.6Confident90.1Very high40 Ų4044.6 Ų44.628%0.2823%0.229SC..THydrogen-bonded Turntrans-67.6-5.817183.40000114.2R171 L172 R215R171-S174 WeakPolarHBondContact O-CB 3.48Å; R171-S174 PolarHBondContact O-N 3.35Å; R171-S174 PolarHBondContact O-OG 3.09Å; L172-S174 PolarHBondContact O-N 3.3Å; S174-R215 WeakPolarHBondContact O-CD 3.4Å
175R87.6Confident89.9Confident138 Ų13846.8 Ų46.852%0.52124%0.244SC..THydrogen-bonded Turntrans-118-9176.1-60.5-61-178.7148.6-0.5114Y138 L172 F173 R215Y138-R175 HydrophobicContact CD2-CB 4.38Å; Y138-R175 HydrophobicContact CG-CB 4.34Å; L172-R175 WeakPolarHBondContact O-CA 3.32Å; L172-R175 WeakPolarHBondContact O-CB 3.34Å; L172-R175 PolarHBondContact O-N 2.58Å; F173-R175 PolarHBondContact O-N 2.89Å; F173-R175 VanDerWaalsContact O-N 3.11Å; R175-R215 PolarHBondContact O-NH2 3Å
176A88.7Confident89.8Confident0 Ų047 Ų470%025%0.245CC..  trans-51.7141.5-175.400000113.8Y138 L172 F173 W186 L212 R215Y138-A176 HydrophobicContact CE2-CB 4.19Å; L172-A176 PolarHBondContact O-N 3.42Å; F173-A176 HydrophobicContact CD1-CB 4.12Å; F173-A176 PolarHBondContact O-N 2.95Å; A176-W186 HydrophobicContact CB-CZ3 4.27Å; A176-L212 HydrophobicContact CB-CD1 3.98Å; A176-R215 PolarHBondContact O-NE 3.36Å; A176-R215 PolarHBondContact O-NH2 2.71Å
177D86.3Confident89.6Confident81 Ų8147 Ų4743%0.43325%0.245SC..  trans-88.5123.8173.2-162.2-36.2000109.9Y138 A179 D180Y138-D177 PolarHBondContact OH-N 3.27Å; Y138-D177 VanDerWaalsContact OH-N 3.11Å; D177-A179 PolarHBondContact O-N 2.88Å; D177-A179 VanDerWaalsContact O-N 3.13Å; D177-A179 PolarHBondContact OD1-N 3.4Å; D177-D180 HydrophobicContact CB-CB 4.46Å; D177-D180 WeakPolarHBondContact O-CB 3.41Å; D177-D180 PolarHBondContact O-N 3.26Å; D177-D180 VanDerWaalsContact O-N 3.16Å
178P82.1Confident89.4Confident21 Ų2149.6 Ų49.614%0.13626%0.259CS..THydrogen-bonded Turntrans-54.7-22.9172.4-28.237.3000115F216 T219 A221P178-F216 HydrophobicContact CB-CD1 4.14Å; P178-F216 HydrophobicContact CB-CD2 4.18Å; P178-F216 HydrophobicContact CB-CE1 3.79Å; P178-F216 HydrophobicContact CB-CE2 3.8Å; P178-F216 HydrophobicContact CB-CG 4.34Å; P178-F216 HydrophobicContact CB-CZ 3.6Å; P178-F216 HydrophobicContact CG-CD2 4.15Å; P178-F216 HydrophobicContact CG-CE2 4.16Å; P178-F216 HydrophobicContact CG-CG 4.41Å; P178-F216 HydrophobicContact CG-CZ 4.43Å; P178-T219 HydrophobicContact CG-CG2 4.12Å; P178-A221 HydrophobicContact CB-CB 3.9Å; P178-A221 HydrophobicContact CG-CB 4.32Å
179A83.4Confident89.1Confident85 Ų8549.6 Ų49.670%0.70226%0.259SS*.THydrogen-bonded Turntrans-95.69.4-179.400000114.3D177D177-A179 PolarHBondContact O-N 2.88Å; D177-A179 VanDerWaalsContact O-N 3.13Å; D177-A179 PolarHBondContact OD1-N 3.4Å
180D86.8Confident88.9Confident46 Ų4649.6 Ų49.625%0.24626%0.259CS..  trans-70133.8-179.6-159.3-52.7000112.3Y138 D177 N182 L183 W186Y138-D180 PolarHBondContact OH-OD2 3.02Å; D177-D180 HydrophobicContact CB-CB 4.46Å; D177-D180 WeakPolarHBondContact O-CB 3.41Å; D177-D180 PolarHBondContact O-N 3.26Å; D177-D180 VanDerWaalsContact O-N 3.16Å; D180-N182 PolarHBondContact O-N 3.36Å; D180-N182 VanDerWaalsContact O-N 3.16Å; D180-N182 WeakPolarHBondContact OD1-CB 3.37Å; D180-N182 PolarHBondContact OD1-N 2.71Å; D180-N182 PolarHBondContact OD1-ND2 3.08Å; D180-L183 WeakPolarHBondContact O-CB 3.36Å; D180-L183 PolarHBondContact O-N 3.29Å; D180-W186 HydrophobicContact CB-CH2 3.61Å; D180-W186 HydrophobicContact CB-CZ3 3.85Å; D180-W186 VanDerWaalsContact CG-CH2 3.41Å; D180-W186 WeakPolarHBondContact OD2-CH2 3.38Å
181K87.7Confident88.7Confident207 Ų20746.4 Ų46.490%0.925%0.247SC*.THydrogen-bonded Turntrans-62.3-21.2178.9-61.9178.8-178.2177.60113.4L183K181-L183 VanDerWaalsContact C-N 3.32Å
182N87.9Confident88.4Confident68 Ų6845.9 Ų45.936%0.36425%0.252SS..THydrogen-bonded Turntrans-83.1-5.8-178.6-61.8-83.5000113.4D180 T184 S185 W186D180-N182 PolarHBondContact O-N 3.36Å; D180-N182 VanDerWaalsContact O-N 3.16Å; D180-N182 WeakPolarHBondContact OD1-CB 3.37Å; D180-N182 PolarHBondContact OD1-N 2.71Å; D180-N182 PolarHBondContact OD1-ND2 3.08Å; N182-T184 PolarHBondContact O-N 2.74Å; N182-S185 WeakPolarHBondContact O-CB 3.38Å; N182-S185 PolarHBondContact O-N 3.33Å; N182-S185 PolarHBondContact O-OG 3.02Å; N182-W186 HydrophobicContact CB-CD2 4.26Å; N182-W186 HydrophobicContact CB-CH2 4.41Å; N182-W186 HydrophobicContact CB-CZ2 3.69Å; N182-W186 PolarHBondContact O-N 2.99Å; N182-W186 VanDerWaalsContact O-N 3.17Å
183L88.7Confident88Confident13 Ų1346 Ų467%0.06825%0.252CS..Hα-helixtrans-49.3-49.6-169.5-177.165.9000114.2D180 K181 S185 W186 I187 L212 F216 P225 L226D180-L183 WeakPolarHBondContact O-CB 3.36Å; D180-L183 PolarHBondContact O-N 3.29Å; K181-L183 VanDerWaalsContact C-N 3.32Å; L183-S185 VanDerWaalsContact C-N 3.34Å; L183-S185 PolarHBondContact O-N 3.28Å; L183-W186 HydrophobicContact CD1-CE3 4.18Å; L183-W186 WeakPolarHBondContact O-CB 3.15Å; L183-W186 PolarHBondContact O-N 3.25Å; L183-W186 VanDerWaalsContact O-N 3.08Å; L183-I187 HydrophobicContact CD1-CD1 4.42Å; L183-I187 HydrophobicContact CG-CD1 4.01Å; L183-I187 WeakPolarHBondContact O-CG1 3.02Å; L183-I187 PolarHBondContact O-N 2.79Å; L183-L212 HydrophobicContact CD1-CD1 4.26Å; L183-L212 HydrophobicContact CD1-CD2 4.25Å; L183-F216 HydrophobicContact CD1-CE2 4.38Å; L183-F216 HydrophobicContact CD1-CZ 4.42Å; L183-F216 HydrophobicContact CD2-CZ 3.78Å; L183-P225 HydrophobicContact CD2-CB 3.95Å; L183-L226 HydrophobicContact CD1-CD2 3.92Å; L183-L226 HydrophobicContact CD2-CD2 4.41Å; L183-L226 HydrophobicContact CG-CD2 4.47Å
184T87Confident87.7Confident86 Ų8646.4 Ų46.453%0.52825%0.254SS..Hα-helixtrans-58.7-44.2178.9-47.90000111.8N182 W186 I187 D188N182-T184 PolarHBondContact O-N 2.74Å; T184-W186 PolarHBondContact O-N 2.9Å; T184-I187 WeakPolarHBondContact O-CB 3.43Å; T184-I187 PolarHBondContact O-N 3.08Å; T184-D188 PolarHBondContact O-N 3.26Å
185S89.1Confident87.4Confident49 Ų4949.7 Ų49.734%0.34327%0.269SS..Hα-helixtrans-65.5-25.617875.90000113.5N182 L183 A189N182-S185 WeakPolarHBondContact O-CB 3.38Å; N182-S185 PolarHBondContact O-N 3.33Å; N182-S185 PolarHBondContact O-OG 3.02Å; L183-S185 VanDerWaalsContact C-N 3.34Å; L183-S185 PolarHBondContact O-N 3.28Å; S185-A189 WeakPolarHBondContact O-CB 3.36Å; S185-A189 PolarHBondContact O-N 2.82Å
186W91.6Very high86.8Confident3 Ų344.7 Ų44.71%0.01125%0.25CC..Hα-helixtrans-76-35.6172-61.4-19.6000111.9Y138 L143 T144 L147 F173 A176 D180 N182 L183 T184 L190Y138-W186 HydrophobicContact CE2-CH2 4.38Å; Y138-W186 WeakPolarHBondContact OH-CH2 3.41Å; L143-W186 HydrophobicContact CD2-CD2 4.06Å; L143-W186 HydrophobicContact CD2-CE3 4.22Å; L143-W186 HydrophobicContact CD2-CH2 3.95Å; L143-W186 HydrophobicContact CD2-CZ2 3.77Å; L143-W186 HydrophobicContact CD2-CZ3 4.17Å; L143-W186 HydrophobicContact CG-CZ2 4.32Å; T144-W186 PolarHBondContact OG1-NE1 3.19Å; L147-W186 HydrophobicContact CD1-CB 4.29Å; L147-W186 HydrophobicContact CD1-CG 4.4Å; F173-W186 HydrophobicContact CE1-CB 4.05Å; F173-W186 HydrophobicContact CE1-CD2 4.2Å; F173-W186 HydrophobicContact CE1-CE3 4.03Å; F173-W186 HydrophobicContact CE1-CG 4.26Å; F173-W186 HydrophobicContact CZ-CB 3.98Å; F173-W186 HydrophobicContact CZ-CG 4.36Å; A176-W186 HydrophobicContact CB-CZ3 4.27Å; D180-W186 HydrophobicContact CB-CH2 3.61Å; D180-W186 HydrophobicContact CB-CZ3 3.85Å; D180-W186 VanDerWaalsContact CG-CH2 3.41Å; D180-W186 WeakPolarHBondContact OD2-CH2 3.38Å; N182-W186 HydrophobicContact CB-CD2 4.26Å; N182-W186 HydrophobicContact CB-CH2 4.41Å; N182-W186 HydrophobicContact CB-CZ2 3.69Å; N182-W186 PolarHBondContact O-N 2.99Å; N182-W186 VanDerWaalsContact O-N 3.17Å; L183-W186 HydrophobicContact CD1-CE3 4.18Å; L183-W186 WeakPolarHBondContact O-CB 3.15Å; L183-W186 PolarHBondContact O-N 3.25Å; L183-W186 VanDerWaalsContact O-N 3.08Å; T184-W186 PolarHBondContact O-N 2.9Å; W186-L190 WeakPolarHBondContact O-CB 3.48Å; W186-L190 WeakPolarHBondContact O-CG 3.48Å; W186-L190 PolarHBondContact O-N 2.92Å
187I89.2Confident85.5Confident1 Ų155.2 Ų55.21%0.00529%0.29CS..Hα-helixtrans-68.9-45.9175.2-63.5160.8000110.5L183 T184 A189 L190 S191 P225 L226 D228 I231L183-I187 HydrophobicContact CD1-CD1 4.42Å; L183-I187 HydrophobicContact CG-CD1 4.01Å; L183-I187 WeakPolarHBondContact O-CG1 3.02Å; L183-I187 PolarHBondContact O-N 2.79Å; T184-I187 WeakPolarHBondContact O-CB 3.43Å; T184-I187 PolarHBondContact O-N 3.08Å; I187-A189 VanDerWaalsContact C-N 3.27Å; I187-A189 PolarHBondContact O-N 3.33Å; I187-L190 PolarHBondContact O-N 3.41Å; I187-S191 WeakPolarHBondContact O-CB 3.47Å; I187-S191 PolarHBondContact O-N 2.92Å; I187-S191 PolarHBondContact O-OG 3.27Å; I187-P225 WeakPolarHBondContact CD1-O 3.36Å; I187-L226 HydrophobicContact CD1-CD2 4.02Å; I187-L226 HydrophobicContact CG1-CD2 4.36Å; I187-D228 HydrophobicContact CG2-CB 4.44Å; I187-I231 HydrophobicContact CG2-CB 4.29Å; I187-I231 HydrophobicContact CG2-CD1 4.07Å; I187-I231 HydrophobicContact CG2-CG2 4.15Å
188D87.9Confident84.9Confident82 Ų8254.9 Ų54.944%0.43929%0.285SS..Hα-helixtrans-53.4-47173.6-69.6-35.8000111T184 S192T184-D188 PolarHBondContact O-N 3.26Å; D188-S192 PolarHBondContact O-N 3.21Å; D188-S192 PolarHBondContact O-OG 3.37Å
189A89.1Confident84.4Confident1 Ų157.7 Ų57.71%0.00830%0.302CS..Hα-helixtrans-68.4-44.5179.700000112.8L147 S185 I187 S191 S192 L193L147-A189 HydrophobicContact CD1-CB 3.94Å; L147-A189 HydrophobicContact CD2-CB 3.36Å; L147-A189 HydrophobicContact CG-CB 3.66Å; S185-A189 WeakPolarHBondContact O-CB 3.36Å; S185-A189 PolarHBondContact O-N 2.82Å; I187-A189 VanDerWaalsContact C-N 3.27Å; I187-A189 PolarHBondContact O-N 3.33Å; A189-S191 VanDerWaalsContact C-N 3.32Å; A189-S191 PolarHBondContact O-N 3.11Å; A189-S192 WeakPolarHBondContact CA-OG 3.43Å; A189-S192 PolarHBondContact O-N 3.28Å; A189-S192 PolarHBondContact O-OG 3.45Å; A189-L193 WeakPolarHBondContact O-CG 3.49Å; A189-L193 PolarHBondContact O-N 3.45Å
190L90.5Very high84.1Confident0 Ų055.4 Ų55.40%029%0.287CS..Hα-helixtrans-61.8-39.7175.5-79.6175.8000111.8F173 W186 I187 L193 L194 A205 A208 F209 L212 I231F173-L190 HydrophobicContact CE1-CD1 4.32Å; F173-L190 HydrophobicContact CE2-CD1 3.74Å; F173-L190 HydrophobicContact CE2-CD2 3.91Å; F173-L190 HydrophobicContact CE2-CG 3.99Å; F173-L190 HydrophobicContact CZ-CD1 3.64Å; F173-L190 HydrophobicContact CZ-CD2 4.47Å; F173-L190 HydrophobicContact CZ-CG 4.05Å; W186-L190 WeakPolarHBondContact O-CB 3.48Å; W186-L190 WeakPolarHBondContact O-CG 3.48Å; W186-L190 PolarHBondContact O-N 2.92Å; I187-L190 PolarHBondContact O-N 3.41Å; L190-L193 PolarHBondContact O-N 3.33Å; L190-L193 VanDerWaalsContact O-N 3.15Å; L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.27Å; L190-L194 PolarHBondContact O-N 3.06Å; L190-A205 HydrophobicContact CD2-CB 4.4Å; L190-A208 HydrophobicContact CD2-CB 4.03Å; L190-F209 HydrophobicContact CD1-CB 4.2Å; L190-F209 HydrophobicContact CD1-CD2 3.98Å; L190-L212 HydrophobicContact CD1-CD2 4.32Å; L190-I231 HydrophobicContact CB-CD1 4.34Å
191S88.7Confident84Confident2 Ų253.8 Ų53.81%0.01428%0.279CS..Hα-helixtrans-59.3-50.4174.3-51.20000110.6I187 A189 L193 L194 D195 I231I187-S191 WeakPolarHBondContact O-CB 3.47Å; I187-S191 PolarHBondContact O-N 2.92Å; I187-S191 PolarHBondContact O-OG 3.27Å; A189-S191 VanDerWaalsContact C-N 3.32Å; A189-S191 PolarHBondContact O-N 3.11Å; S191-L193 PolarHBondContact O-N 3.42Å; S191-L193 VanDerWaalsContact O-N 3.11Å; S191-L194 PolarHBondContact O-N 3.34Å; S191-L194 VanDerWaalsContact O-N 3.09Å; S191-D195 PolarHBondContact O-N 3.25Å; S191-I231 WeakPolarHBondContact OG-CB 3.26Å
192S86.9Confident83.9Confident41 Ų4144 Ų4429%0.28724%0.236SC..Hα-helixtrans-64.8-13.9176.671.60000115.2R151 D188 A189 R196R151-S192 VanDerWaalsContact CD-OG 3.25Å; R151-S192 WeakPolarHBondContact CD-OG 3.35Å; R151-S192 WeakPolarHBondContact CG-OG 3.4Å; D188-S192 PolarHBondContact O-N 3.21Å; D188-S192 PolarHBondContact O-OG 3.37Å; A189-S192 WeakPolarHBondContact CA-OG 3.43Å; A189-S192 PolarHBondContact O-N 3.28Å; A189-S192 PolarHBondContact O-OG 3.45Å; S192-R196 VanDerWaalsContact O-CG 3.31Å; S192-R196 WeakPolarHBondContact O-CG 3.42Å
193L87.6Confident83.7Confident1 Ų142.1 Ų42.11%0.00523%0.226CC..Hα-helixtrans-96.5-27.2173.4-69.4170.2000112.5I150 M166 A189 L190 S191 V201 A205I150-L193 HydrophobicContact CG2-CD2 4.12Å; M166-L193 HydrophobicContact CE-CD1 4.37Å; M166-L193 HydrophobicContact SD-CD1 4.1Å; A189-L193 WeakPolarHBondContact O-CG 3.49Å; A189-L193 PolarHBondContact O-N 3.45Å; L190-L193 PolarHBondContact O-N 3.33Å; L190-L193 VanDerWaalsContact O-N 3.15Å; S191-L193 PolarHBondContact O-N 3.42Å; S191-L193 VanDerWaalsContact O-N 3.11Å; L193-V201 HydrophobicContact CD2-CG1 4.3Å; L193-A205 HydrophobicContact CB-CB 3.89Å
194L86.3Confident83.5Confident10 Ų1042.3 Ų42.35%0.05223%0.227CC..Hα-helixtrans-72.7-32.1172.6-76165.6000112.3L190 S191 R196 A205 L206 I231 C234L190-L194 WeakPolarHBondContact O-CB 3.44Å; L190-L194 VanDerWaalsContact O-CG 3.32Å; L190-L194 WeakPolarHBondContact O-CG 3.27Å; L190-L194 PolarHBondContact O-N 3.06Å; S191-L194 PolarHBondContact O-N 3.34Å; S191-L194 VanDerWaalsContact O-N 3.09Å; L194-R196 PolarHBondContact O-N 3.45Å; L194-A205 HydrophobicContact CD2-CB 4.01Å; L194-A205 HydrophobicContact CG-CB 4.02Å; L194-L206 HydrophobicContact CD2-CB 3.93Å; L194-L206 HydrophobicContact CD2-CD1 4.15Å; L194-I231 HydrophobicContact CD1-CD1 4.12Å; L194-I231 HydrophobicContact CD1-CG1 3.96Å; L194-C234 HydrophobicContact CB-CB 4.19Å
195D82.8Confident83.7Confident108 Ų10838.2 Ų38.258%0.57820%0.202SC*.SBendtrans-74.5-9.1178.8-161.654.6000113.7S191S191-D195 PolarHBondContact O-N 3.25Å
196R73.7Confident83.8Confident34 Ų3436 Ų3613%0.12819%0.186CC..  trans-77.2130.7-177.2-61.2-176.172.4-111.5-5.8111.4H155 S192 L194 E198H155-R196 PolarHBondContact CE1-NH2 3.3Å; S192-R196 VanDerWaalsContact O-CG 3.31Å; S192-R196 WeakPolarHBondContact O-CG 3.42Å; L194-R196 PolarHBondContact O-N 3.45Å; R196-E198 IonicContact CZ-OE1 2.76Å; R196-E198 IonicContact CZ-OE2 2.74Å; R196-E198 VanDerWaalsContact CZ-OE2 3.24Å; R196-E198 IonicContact NH1-OE1 2.81Å; R196-E198 IonicContact NH1-OE2 2.77Å; R196-E198 PolarHBondContact NH1-OE2 3.48Å; R196-E198 IonicContact NH2-OE1 3.53Å; R196-E198 PolarHBondContact NH2-OE1 3.41Å; R196-E198 IonicContact NH2-OE2 3.61Å; R196-E198 PolarHBondContact NH2-OE2 3.08Å; R196-E198 PolarHBondContact O-N 3.43Å
197R62.8Low83.7Confident221 Ų22141.7 Ų41.783%0.83421%0.207SC*.SBendtrans-58.2-17.5176.6-60.1-175.6-176-176.81.3114.7T199R197-T199 PolarHBondContact O-N 2.7Å
198E72.6Confident83.8Confident74 Ų7441.7 Ų41.735%0.34621%0.207SC..  trans-72.290.7174.7-74.7162-144.500110.6H155 R196 G200 V201 A202H155-E198 IonicContact CE1-OE1 3.04Å; H155-E198 IonicContact ND1-OE1 3.16Å; R196-E198 IonicContact CZ-OE1 2.76Å; R196-E198 IonicContact CZ-OE2 2.74Å; R196-E198 VanDerWaalsContact CZ-OE2 3.24Å; R196-E198 IonicContact NH1-OE1 2.81Å; R196-E198 IonicContact NH1-OE2 2.77Å; R196-E198 PolarHBondContact NH1-OE2 3.48Å; R196-E198 IonicContact NH2-OE1 3.53Å; R196-E198 PolarHBondContact NH2-OE1 3.41Å; R196-E198 IonicContact NH2-OE2 3.61Å; R196-E198 PolarHBondContact NH2-OE2 3.08Å; R196-E198 PolarHBondContact O-N 3.43Å; E198-G200 VanDerWaalsContact C-N 3.25Å; E198-G200 PolarHBondContact O-N 3.02Å; E198-G200 VanDerWaalsContact O-N 3.1Å; E198-V201 HydrophobicContact CB-CB 4.29Å; E198-V201 HydrophobicContact CB-CG2 4.04Å; E198-V201 PolarHBondContact O-N 2.85Å; E198-A202 PolarHBondContact O-N 2.94Å; E198-A202 VanDerWaalsContact O-N 3.08Å
199T71.5Confident84Confident80 Ų8037.8 Ų37.849%0.49119%0.186SC..Hα-helixtrans-49.3-40-174.654.10000114.3R197 V201 A202 D203R197-T199 PolarHBondContact O-N 2.7Å; T199-V201 VanDerWaalsContact C-N 3.32Å; T199-V201 PolarHBondContact O-N 3.38Å; T199-A202 PolarHBondContact O-N 2.74Å; T199-D203 WeakPolarHBondContact O-CB 3.35Å; T199-D203 VanDerWaalsContact O-CG 3.26Å; T199-D203 PolarHBondContact O-N 2.9Å
200G78.8Confident84.1Confident37 Ų3739.4 Ų39.438%0.38120%0.2SC..Hα-helixtrans-63.5-32.7177.100000114.1E198 Q204E198-G200 VanDerWaalsContact C-N 3.25Å; E198-G200 PolarHBondContact O-N 3.02Å; E198-G200 VanDerWaalsContact O-N 3.1Å; G200-Q204 WeakPolarHBondContact O-CB 3.41Å; G200-Q204 PolarHBondContact O-N 2.76Å; G200-Q204 PolarHBondContact O-NE2 3.37Å
201V83.6Confident84.2Confident12 Ų1241.7 Ų41.77%0.07321%0.212CC..Hα-helixtrans-78.5-44.4175.9-176.60000110.3L162 M166 L193 E198 T199 D203 Q204 A205L162-V201 HydrophobicContact CD2-CG2 3.79Å; L162-V201 HydrophobicContact CG-CG2 4.08Å; M166-V201 HydrophobicContact CE-CG1 4.28Å; M166-V201 HydrophobicContact CG-CG1 4.35Å; M166-V201 HydrophobicContact SD-CG1 4.3Å; L193-V201 HydrophobicContact CD2-CG1 4.3Å; E198-V201 HydrophobicContact CB-CB 4.29Å; E198-V201 HydrophobicContact CB-CG2 4.04Å; E198-V201 PolarHBondContact O-N 2.85Å; T199-V201 VanDerWaalsContact C-N 3.32Å; T199-V201 PolarHBondContact O-N 3.38Å; V201-D203 VanDerWaalsContact C-N 3.34Å; V201-D203 PolarHBondContact O-N 2.81Å; V201-Q204 PolarHBondContact O-N 3.31Å; V201-A205 WeakPolarHBondContact O-CB 3.22Å; V201-A205 PolarHBondContact O-N 3.39Å
202A85.1Confident84.3Confident0 Ų041.6 Ų41.60%021%0.211CC..Hα-helixtrans-60.5-41.7176.700000111.9E198 T199 Q204 A205 L206E198-A202 PolarHBondContact O-N 2.94Å; E198-A202 VanDerWaalsContact O-N 3.08Å; T199-A202 PolarHBondContact O-N 2.74Å; A202-Q204 PolarHBondContact O-N 2.85Å; A202-A205 PolarHBondContact O-N 3.38Å; A202-L206 WeakPolarHBondContact O-CB 3.2Å; A202-L206 PolarHBondContact O-N 2.88Å
203D83.7Confident84.5Confident29 Ų2939.7 Ų39.716%0.15520%0.198CC..Hα-helixtrans-69.1-33.2177.2-723.1000112T199 V201 R207 R238T199-D203 WeakPolarHBondContact O-CB 3.35Å; T199-D203 VanDerWaalsContact O-CG 3.26Å; T199-D203 PolarHBondContact O-N 2.9Å; V201-D203 VanDerWaalsContact C-N 3.34Å; V201-D203 PolarHBondContact O-N 2.81Å; D203-R207 WeakPolarHBondContact O-CD 3.46Å; D203-R207 VanDerWaalsContact O-CG 3.23Å; D203-R207 WeakPolarHBondContact O-CG 3.39Å; D203-R207 PolarHBondContact O-N 3.07Å; D203-R238 IonicContact OD1-CZ 3.15Å; D203-R238 IonicContact OD1-NE 3.73Å; D203-R238 PolarHBondContact OD1-NE 2.94Å; D203-R238 IonicContact OD1-NH2 2.87Å; D203-R238 PolarHBondContact OD1-NH2 2.98Å; D203-R238 IonicContact OD2-NH2 3.81Å
204Q85.8Confident84.6Confident18 Ų1840.8 Ų40.88%0.08421%0.207CC..Hα-helixtrans-69.1-39.5170.6-104.958.5-80.600112.3M166 G200 V201 A202 L206 R207 A208M166-Q204 HydrophobicContact CB-CB 3.98Å; M166-Q204 HydrophobicContact CB-CG 4.04Å; M166-Q204 HydrophobicContact CE-CB 3.84Å; M166-Q204 HydrophobicContact CG-CB 4.43Å; G200-Q204 WeakPolarHBondContact O-CB 3.41Å; G200-Q204 PolarHBondContact O-N 2.76Å; G200-Q204 PolarHBondContact O-NE2 3.37Å; V201-Q204 PolarHBondContact O-N 3.31Å; A202-Q204 PolarHBondContact O-N 2.85Å; Q204-L206 VanDerWaalsContact C-N 3.34Å; Q204-R207 PolarHBondContact O-N 3.48Å; Q204-A208 WeakPolarHBondContact O-CB 3.44Å; Q204-A208 PolarHBondContact O-N 3.03Å
205A90.8Very high84.7Confident0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-64.7-38.817400000111.3M166 L190 L193 L194 V201 A202 A208 F209M166-A205 HydrophobicContact CE-CB 3.86Å; L190-A205 HydrophobicContact CD2-CB 4.4Å; L193-A205 HydrophobicContact CB-CB 3.89Å; L194-A205 HydrophobicContact CD2-CB 4.01Å; L194-A205 HydrophobicContact CG-CB 4.02Å; V201-A205 WeakPolarHBondContact O-CB 3.22Å; V201-A205 PolarHBondContact O-N 3.39Å; A202-A205 PolarHBondContact O-N 3.38Å; A205-A208 WeakPolarHBondContact O-CB 3.34Å; A205-A208 PolarHBondContact O-N 2.97Å; A205-F209 PolarHBondContact O-N 3.1Å
206L90.2Very high85Confident3 Ų338.4 Ų38.42%0.01619%0.19CC..Hα-helixtrans-63.4-42.8174.4-170.266.9000111.8L194 A202 Q204 F209 A210 L235 A285 V286 I289L194-L206 HydrophobicContact CD2-CB 3.93Å; L194-L206 HydrophobicContact CD2-CD1 4.15Å; A202-L206 WeakPolarHBondContact O-CB 3.2Å; A202-L206 PolarHBondContact O-N 2.88Å; Q204-L206 VanDerWaalsContact C-N 3.34Å; L206-F209 PolarHBondContact O-N 3.23Å; L206-A210 WeakPolarHBondContact O-CB 3.27Å; L206-A210 PolarHBondContact O-N 2.85Å; L206-L235 HydrophobicContact CD1-CD2 3.39Å; L206-A285 HydrophobicContact CD2-CB 3.62Å; L206-A285 HydrophobicContact CG-CB 4.21Å; L206-V286 HydrophobicContact CD1-CG2 3.98Å; L206-V286 HydrophobicContact CD2-CG2 3.94Å; L206-I289 HydrophobicContact CD1-CD1 3.43Å; L206-I289 VanDerWaalsContact CD1-CD1 3.43Å; L206-I289 HydrophobicContact CG-CD1 3.86Å
207R90.2Very high85.5Confident122 Ų12238.6 Ų38.646%0.4620%0.195SC..Hα-helixtrans-66.1-35.3173.4-71.2161.8178.5177.5-1.8112.5R170 D203 Q204 N211R170-R207 HydrophobicContact CG-CB 4.43Å; D203-R207 WeakPolarHBondContact O-CD 3.46Å; D203-R207 VanDerWaalsContact O-CG 3.23Å; D203-R207 WeakPolarHBondContact O-CG 3.39Å; D203-R207 PolarHBondContact O-N 3.07Å; Q204-R207 PolarHBondContact O-N 3.48Å; R207-N211 PolarHBondContact O-N 3.11Å
208A91.9Very high86.7Confident0 Ų036.3 Ų36.30%019%0.186CC..Hα-helixtrans-67-45.5174.100000111.8I169 R170 F173 L190 Q204 A205 N211 L212I169-A208 HydrophobicContact CG2-CB 4.13Å; R170-A208 HydrophobicContact CB-CB 4.41Å; F173-A208 HydrophobicContact CD2-CB 3.9Å; F173-A208 HydrophobicContact CE2-CB 4.38Å; L190-A208 HydrophobicContact CD2-CB 4.03Å; Q204-A208 WeakPolarHBondContact O-CB 3.44Å; Q204-A208 PolarHBondContact O-N 3.03Å; A205-A208 WeakPolarHBondContact O-CB 3.34Å; A205-A208 PolarHBondContact O-N 2.97Å; A208-N211 WeakPolarHBondContact O-CB 3.48Å; A208-N211 PolarHBondContact O-N 3.01Å; A208-L212 PolarHBondContact O-N 3.39Å; A208-L212 VanDerWaalsContact O-N 3.13Å
209F92.4Very high87.3Confident0 Ų035.8 Ų35.80%019%0.188CC..Hα-helixtrans-64.6-39.9174.9-172.8-112.6000112.2L190 A205 L206 N211 L212 V213 L226 I231 L235 I289 L293L190-F209 HydrophobicContact CD1-CB 4.2Å; L190-F209 HydrophobicContact CD1-CD2 3.98Å; A205-F209 PolarHBondContact O-N 3.1Å; L206-F209 PolarHBondContact O-N 3.23Å; F209-N211 VanDerWaalsContact C-N 3.27Å; F209-N211 PolarHBondContact O-N 3.19Å; F209-L212 HydrophobicContact CD2-CD2 4.34Å; F209-L212 WeakPolarHBondContact O-CB 3.47Å; F209-L212 PolarHBondContact O-N 2.81Å; F209-V213 HydrophobicContact CD1-CG2 3.99Å; F209-V213 HydrophobicContact CE1-CG2 3.61Å; F209-V213 HydrophobicContact CE2-CG2 4.21Å; F209-V213 HydrophobicContact CG-CG2 4.45Å; F209-V213 HydrophobicContact CZ-CG2 3.74Å; F209-V213 WeakPolarHBondContact O-CG2 3.41Å; F209-V213 PolarHBondContact O-N 3.38Å; F209-L226 HydrophobicContact CE2-CB 4.3Å; F209-L226 HydrophobicContact CZ-CB 4.22Å; F209-I231 HydrophobicContact CD2-CD1 3.64Å; F209-I231 HydrophobicContact CE1-CD1 4.41Å; F209-I231 HydrophobicContact CE2-CD1 3.49Å; F209-I231 VanDerWaalsContact CE2-CD1 3.49Å; F209-I231 HydrophobicContact CE2-CG1 4.44Å; F209-I231 HydrophobicContact CG-CD1 4.18Å; F209-I231 HydrophobicContact CZ-CD1 3.9Å; F209-I231 HydrophobicContact CZ-CG1 4.38Å; F209-L235 HydrophobicContact CD1-CD1 4.38Å; F209-L235 HydrophobicContact CE1-CD1 3.87Å; F209-I289 HydrophobicContact CD1-CD1 4.47Å; F209-I289 HydrophobicContact CD1-CG2 3.86Å; F209-I289 HydrophobicContact CE1-CG2 3.68Å; F209-L293 HydrophobicContact CE1-CD1 4.32Å
210A91Very high87.7Confident35 Ų3533.7 Ų33.729%0.28918%0.182SC..Hα-helixtrans-57-39.3172.900000112.6L206 A214 I289L206-A210 WeakPolarHBondContact O-CB 3.27Å; L206-A210 PolarHBondContact O-N 2.85Å; A210-A214 VanDerWaalsContact O-CB 3.24Å; A210-A214 WeakPolarHBondContact O-CB 3.5Å; A210-A214 PolarHBondContact O-N 3.28Å; A210-I289 HydrophobicContact CB-CD1 4.03Å; A210-I289 HydrophobicContact CB-CG1 3.97Å
211N91.6Very high87.9Confident48 Ų4833.5 Ų33.526%0.25718%0.177SC..Hα-helixtrans-66.6-37.5174.2-83.5-13.2000112.6R170 F173 R207 A208 F209 A214 R215R170-N211 PolarHBondContact O-ND2 3.44Å; F173-N211 HydrophobicContact CB-CB 4.23Å; R207-N211 PolarHBondContact O-N 3.11Å; A208-N211 WeakPolarHBondContact O-CB 3.48Å; A208-N211 PolarHBondContact O-N 3.01Å; F209-N211 VanDerWaalsContact C-N 3.27Å; F209-N211 PolarHBondContact O-N 3.19Å; N211-A214 PolarHBondContact O-N 3.49Å; N211-R215 WeakPolarHBondContact O-CG 3.16Å; N211-R215 PolarHBondContact O-N 2.94Å
212L91.6Very high87.7Confident0 Ų036.6 Ų36.60%019%0.193CC..Hα-helixtrans-66.4-48.6174.7179.359.5000111.6F173 A176 L183 L190 A208 F209 A214 R215 F216 L226F173-L212 HydrophobicContact CB-CB 4.46Å; F173-L212 HydrophobicContact CD1-CB 4.02Å; F173-L212 HydrophobicContact CD1-CD1 4.06Å; F173-L212 HydrophobicContact CD1-CD2 4.19Å; F173-L212 HydrophobicContact CD1-CG 4.31Å; F173-L212 HydrophobicContact CE1-CD1 4.45Å; F173-L212 HydrophobicContact CE1-CD2 4Å; F173-L212 HydrophobicContact CG-CB 4.39Å; A176-L212 HydrophobicContact CB-CD1 3.98Å; L183-L212 HydrophobicContact CD1-CD1 4.26Å; L183-L212 HydrophobicContact CD1-CD2 4.25Å; L190-L212 HydrophobicContact CD1-CD2 4.32Å; A208-L212 PolarHBondContact O-N 3.39Å; A208-L212 VanDerWaalsContact O-N 3.13Å; F209-L212 HydrophobicContact CD2-CD2 4.34Å; F209-L212 WeakPolarHBondContact O-CB 3.47Å; F209-L212 PolarHBondContact O-N 2.81Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.35Å; L212-R215 WeakPolarHBondContact O-CB 3.33Å; L212-R215 PolarHBondContact O-N 3.05Å; L212-F216 HydrophobicContact CD1-CD2 4.44Å; L212-F216 HydrophobicContact CD1-CE2 4.06Å; L212-F216 PolarHBondContact O-N 3.41Å; L212-L226 HydrophobicContact CD2-CD2 3.79Å; L212-L226 HydrophobicContact CG-CD1 4.35Å; L212-L226 HydrophobicContact CG-CD2 4Å
213V90.9Very high87.6Confident2 Ų236.6 Ų36.61%0.01219%0.193CC..Hα-helixtrans-57.2-43.3174.3175.70000110.6F209 R215 F216 T217 L226 I289 L293F209-V213 HydrophobicContact CD1-CG2 3.99Å; F209-V213 HydrophobicContact CE1-CG2 3.61Å; F209-V213 HydrophobicContact CE2-CG2 4.21Å; F209-V213 HydrophobicContact CG-CG2 4.45Å; F209-V213 HydrophobicContact CZ-CG2 3.74Å; F209-V213 WeakPolarHBondContact O-CG2 3.41Å; F209-V213 PolarHBondContact O-N 3.38Å; V213-R215 PolarHBondContact O-N 3Å; V213-R215 VanDerWaalsContact O-N 3.16Å; V213-F216 PolarHBondContact O-N 2.88Å; V213-F216 VanDerWaalsContact O-N 3.11Å; V213-T217 HydrophobicContact CG1-CG2 4.38Å; V213-T217 WeakPolarHBondContact O-CG2 3.15Å; V213-T217 PolarHBondContact O-N 2.79Å; V213-L226 HydrophobicContact CB-CD1 4.42Å; V213-L226 HydrophobicContact CG2-CD1 3.8Å; V213-I289 HydrophobicContact CG2-CG2 4.43Å; V213-L293 HydrophobicContact CG1-CD2 3.97Å; V213-L293 HydrophobicContact CG1-CG 4.18Å; V213-L293 HydrophobicContact CG2-CD2 3.84Å; V213-L293 HydrophobicContact CG2-CG 4.28Å
214A89.2Confident87.5Confident24 Ų2437.3 Ų37.320%0.19820%0.2CC..Hα-helixtrans-64.6-14.3175.500000114.4A210 N211 L212 T217 R218A210-A214 VanDerWaalsContact O-CB 3.24Å; A210-A214 WeakPolarHBondContact O-CB 3.5Å; A210-A214 PolarHBondContact O-N 3.28Å; N211-A214 PolarHBondContact O-N 3.49Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.35Å; A214-T217 PolarHBondContact O-OG1 3.08Å; A214-R218 VanDerWaalsContact O-CB 3.3Å; A214-R218 WeakPolarHBondContact O-CB 3.5Å; A214-R218 WeakPolarHBondContact O-CD 3.45Å; A214-R218 WeakPolarHBondContact O-CG 3.31Å; A214-R218 PolarHBondContact O-N 3.06Å
215R88.3Confident87.2Confident63 Ų6339.5 Ų39.524%0.23822%0.216CC..Hα-helixtrans-80.7-40.3169.9-72-73.7-71.7156.83.9112F173 S174 R175 A176 N211 L212 V213 R218 T219F173-R215 WeakPolarHBondContact O-CG 3.4Å; S174-R215 WeakPolarHBondContact O-CD 3.4Å; R175-R215 PolarHBondContact O-NH2 3Å; A176-R215 PolarHBondContact O-NE 3.36Å; A176-R215 PolarHBondContact O-NH2 2.71Å; N211-R215 WeakPolarHBondContact O-CG 3.16Å; N211-R215 PolarHBondContact O-N 2.94Å; L212-R215 WeakPolarHBondContact O-CB 3.33Å; L212-R215 PolarHBondContact O-N 3.05Å; V213-R215 PolarHBondContact O-N 3Å; V213-R215 VanDerWaalsContact O-N 3.16Å; R215-R218 PolarHBondContact O-N 2.87Å; R215-T219 WeakPolarHBondContact O-CB 3.47Å; R215-T219 WeakPolarHBondContact O-CG2 3.16Å; R215-T219 PolarHBondContact O-N 3.14Å; R215-T219 PolarHBondContact O-OG1 3.32Å
216F88.8Confident86.7Confident4 Ų439.5 Ų39.52%0.01822%0.216CC..Hα-helixtrans-62.2-49.5173.1-80.2-106.3000110.9P178 L183 L212 V213 R218 T219 G220 A221 D222 P223 L226P178-F216 HydrophobicContact CB-CD1 4.14Å; P178-F216 HydrophobicContact CB-CD2 4.18Å; P178-F216 HydrophobicContact CB-CE1 3.79Å; P178-F216 HydrophobicContact CB-CE2 3.8Å; P178-F216 HydrophobicContact CB-CG 4.34Å; P178-F216 HydrophobicContact CB-CZ 3.6Å; P178-F216 HydrophobicContact CG-CD2 4.15Å; P178-F216 HydrophobicContact CG-CE2 4.16Å; P178-F216 HydrophobicContact CG-CG 4.41Å; P178-F216 HydrophobicContact CG-CZ 4.43Å; L183-F216 HydrophobicContact CD1-CE2 4.38Å; L183-F216 HydrophobicContact CD1-CZ 4.42Å; L183-F216 HydrophobicContact CD2-CZ 3.78Å; L212-F216 HydrophobicContact CD1-CD2 4.44Å; L212-F216 HydrophobicContact CD1-CE2 4.06Å; L212-F216 PolarHBondContact O-N 3.41Å; V213-F216 PolarHBondContact O-N 2.88Å; V213-F216 VanDerWaalsContact O-N 3.11Å; F216-R218 VanDerWaalsContact C-N 3.34Å; F216-R218 PolarHBondContact O-N 3.12Å; F216-T219 PolarHBondContact O-N 2.75Å; F216-T219 PolarHBondContact O-OG1 2.87Å; F216-G220 PolarHBondContact O-N 2.9Å; F216-A221 HydrophobicContact CD1-CB 3.8Å; F216-A221 HydrophobicContact CE1-CB 4.27Å; F216-A221 PolarHBondContact O-N 3.46Å; F216-D222 WeakPolarHBondContact CD1-O 3.34Å; F216-P223 HydrophobicContact CB-CB 4.08Å; F216-P223 HydrophobicContact CD1-CB 4.19Å; F216-P223 HydrophobicContact CG-CB 4.31Å; F216-L226 HydrophobicContact CD2-CD1 3.68Å; F216-L226 HydrophobicContact CD2-CD2 4.31Å; F216-L226 HydrophobicContact CD2-CG 4.18Å; F216-L226 HydrophobicContact CE1-CG 4.46Å; F216-L226 HydrophobicContact CE2-CD1 3.98Å; F216-L226 HydrophobicContact CE2-CD2 3.73Å; F216-L226 HydrophobicContact CE2-CG 4Å; F216-L226 HydrophobicContact CG-CD1 4.02Å; F216-L226 HydrophobicContact CG-CG 4.49Å; F216-L226 HydrophobicContact CZ-CD2 3.97Å; F216-L226 HydrophobicContact CZ-CG 4.15Å
217T85.7Confident86Confident38 Ų3839.7 Ų39.723%0.23322%0.218CC..Hα-helixtrans-63.7-34.9179.369.10000113.6V213 A214 N296V213-T217 HydrophobicContact CG1-CG2 4.38Å; V213-T217 WeakPolarHBondContact O-CG2 3.15Å; V213-T217 PolarHBondContact O-N 2.79Å; A214-T217 PolarHBondContact O-OG1 3.08Å; T217-N296 HydrophobicContact CG2-CB 4.43Å; T217-N296 VanDerWaalsContact CG2-ND2 3.26Å; T217-N296 WeakPolarHBondContact CG2-ND2 3.37Å
218R86.6Confident85.4Confident174 Ų17437 Ų3766%0.65721%0.213SC*.Hα-helixtrans-74.6-33.2177.3-74.2172.8-170.8172.43113.8A214 R215 F216A214-R218 VanDerWaalsContact O-CB 3.3Å; A214-R218 WeakPolarHBondContact O-CB 3.5Å; A214-R218 WeakPolarHBondContact O-CD 3.45Å; A214-R218 WeakPolarHBondContact O-CG 3.31Å; A214-R218 PolarHBondContact O-N 3.06Å; R215-R218 PolarHBondContact O-N 2.87Å; F216-R218 VanDerWaalsContact C-N 3.34Å; F216-R218 PolarHBondContact O-N 3.12Å
219T85.2Confident84.5Confident62 Ų6240.2 Ų40.238%0.3824%0.236SC..Hα-helixtrans-81.2-27.9175.850.90000111.9P178 R215 F216 A221P178-T219 HydrophobicContact CG-CG2 4.12Å; R215-T219 WeakPolarHBondContact O-CB 3.47Å; R215-T219 WeakPolarHBondContact O-CG2 3.16Å; R215-T219 PolarHBondContact O-N 3.14Å; R215-T219 PolarHBondContact O-OG1 3.32Å; F216-T219 PolarHBondContact O-N 2.75Å; F216-T219 PolarHBondContact O-OG1 2.87Å; T219-A221 PolarHBondContact OG1-N 3.28Å
220G79.4Confident84Confident36 Ų3644.9 Ų44.937%0.37126%0.257SS..THydrogen-bonded Turntrans80.717.1-170.700000113.7F216F216-G220 PolarHBondContact O-N 2.9Å
221A83.6Confident83.7Confident34 Ų3443.3 Ų43.328%0.28124%0.244SC..  trans-72.5139.3167.500000109.7P178 F216 T219 P223P178-A221 HydrophobicContact CB-CB 3.9Å; P178-A221 HydrophobicContact CG-CB 4.32Å; F216-A221 HydrophobicContact CD1-CB 3.8Å; F216-A221 HydrophobicContact CE1-CB 4.27Å; F216-A221 PolarHBondContact O-N 3.46Å; T219-A221 PolarHBondContact OG1-N 3.28Å; A221-P223 WeakPolarHBondContact O-CD 3.48Å
222D80.3Confident83.4Confident76 Ų7641.6 Ų41.641%0.40623%0.234SC..  trans-60.4121.3173.5174.217.6000109.6F216 S224 P225 S297F216-D222 WeakPolarHBondContact CD1-O 3.34Å; D222-S224 PolarHBondContact O-N 3.34Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.45Å; D222-S224 VanDerWaalsContact OD2-CB 3.23Å; D222-S224 WeakPolarHBondContact OD2-CB 3.4Å; D222-S224 PolarHBondContact OD2-OG 3.04Å; D222-P225 WeakPolarHBondContact O-CD 3.49Å; D222-S297 WeakPolarHBondContact OD1-CB 3.29Å; D222-S297 PolarHBondContact OD1-OG 3.4Å
223P83.4Confident83Confident0 Ų045 Ų450%025%0.253CS..  trans-75.67.7177.532.6-36.9000114F216 A221 L226 L293 N296 I300F216-P223 HydrophobicContact CB-CB 4.08Å; F216-P223 HydrophobicContact CD1-CB 4.19Å; F216-P223 HydrophobicContact CG-CB 4.31Å; A221-P223 WeakPolarHBondContact O-CD 3.48Å; P223-L226 HydrophobicContact CB-CD1 4.16Å; P223-L226 HydrophobicContact CB-CG 4.47Å; P223-L226 WeakPolarHBondContact O-CA 3.37Å; P223-L226 VanDerWaalsContact O-CB 3.28Å; P223-L226 WeakPolarHBondContact O-CB 3.4Å; P223-L226 PolarHBondContact O-N 2.68Å; P223-L293 HydrophobicContact CB-CD2 3.83Å; P223-L293 HydrophobicContact CG-CD2 4.34Å; P223-N296 WeakPolarHBondContact CD-O 3.42Å; P223-N296 HydrophobicContact CG-CB 3.88Å; P223-I300 HydrophobicContact CB-CD1 4.25Å; P223-I300 HydrophobicContact CG-CD1 3.95Å
224S80.4Confident82.7Confident44 Ų4445.4 Ų45.431%0.30826%0.256SS..G310 helixtrans-51.8-30.8175.366.70000115.4D222 L226 A227D222-S224 PolarHBondContact O-N 3.34Å; D222-S224 WeakPolarHBondContact OD1-CB 3.44Å; D222-S224 PolarHBondContact OD1-N 3.45Å; D222-S224 VanDerWaalsContact OD2-CB 3.23Å; D222-S224 WeakPolarHBondContact OD2-CB 3.4Å; D222-S224 PolarHBondContact OD2-OG 3.04Å; S224-L226 PolarHBondContact O-N 3.21Å; S224-A227 WeakPolarHBondContact O-CB 3.27Å; S224-A227 PolarHBondContact O-N 3.21Å; S224-A227 VanDerWaalsContact O-N 3.14Å
225P80.7Confident82.6Confident65 Ų6544.3 Ų44.342%0.42225%0.246SC..G310 helixtrans-70.3-11.9172-19.234.3000114.5L183 I187 D222 A227L183-P225 HydrophobicContact CD2-CB 3.95Å; I187-P225 WeakPolarHBondContact CD1-O 3.36Å; D222-P225 WeakPolarHBondContact O-CD 3.49Å; P225-A227 VanDerWaalsContact C-N 3.34Å
226L80.3Confident82.4Confident0 Ų041.9 Ų41.90%024%0.238CC..G310 helixtrans-88.3-2.3172.4-54.4-176.3000112.7L183 I187 F209 L212 V213 F216 P223 S224 I231 L293L183-L226 HydrophobicContact CD1-CD2 3.92Å; L183-L226 HydrophobicContact CD2-CD2 4.41Å; L183-L226 HydrophobicContact CG-CD2 4.47Å; I187-L226 HydrophobicContact CD1-CD2 4.02Å; I187-L226 HydrophobicContact CG1-CD2 4.36Å; F209-L226 HydrophobicContact CE2-CB 4.3Å; F209-L226 HydrophobicContact CZ-CB 4.22Å; L212-L226 HydrophobicContact CD2-CD2 3.79Å; L212-L226 HydrophobicContact CG-CD1 4.35Å; L212-L226 HydrophobicContact CG-CD2 4Å; V213-L226 HydrophobicContact CB-CD1 4.42Å; V213-L226 HydrophobicContact CG2-CD1 3.8Å; F216-L226 HydrophobicContact CD2-CD1 3.68Å; F216-L226 HydrophobicContact CD2-CD2 4.31Å; F216-L226 HydrophobicContact CD2-CG 4.18Å; F216-L226 HydrophobicContact CE1-CG 4.46Å; F216-L226 HydrophobicContact CE2-CD1 3.98Å; F216-L226 HydrophobicContact CE2-CD2 3.73Å; F216-L226 HydrophobicContact CE2-CG 4Å; F216-L226 HydrophobicContact CG-CD1 4.02Å; F216-L226 HydrophobicContact CG-CG 4.49Å; F216-L226 HydrophobicContact CZ-CD2 3.97Å; F216-L226 HydrophobicContact CZ-CG 4.15Å; P223-L226 HydrophobicContact CB-CD1 4.16Å; P223-L226 HydrophobicContact CB-CG 4.47Å; P223-L226 WeakPolarHBondContact O-CA 3.37Å; P223-L226 VanDerWaalsContact O-CB 3.28Å; P223-L226 WeakPolarHBondContact O-CB 3.4Å; P223-L226 PolarHBondContact O-N 2.68Å; S224-L226 PolarHBondContact O-N 3.21Å; L226-I231 WeakPolarHBondContact O-CG2 3.35Å; L226-L293 HydrophobicContact CB-CD2 4.34Å; L226-L293 HydrophobicContact CD1-CD2 4.36Å
227A74.8Confident82.2Confident6 Ų644.7 Ų44.75%0.0525%0.251CS..  trans-105.635.8-16700000113.3S224 P225 I232 I300 K303S224-A227 WeakPolarHBondContact O-CB 3.27Å; S224-A227 PolarHBondContact O-N 3.21Å; S224-A227 VanDerWaalsContact O-N 3.14Å; P225-A227 VanDerWaalsContact C-N 3.34Å; A227-I232 HydrophobicContact CB-CD1 4.18Å; A227-I300 HydrophobicContact CB-CB 4.5Å; A227-I300 HydrophobicContact CB-CD1 3.69Å; A227-I300 HydrophobicContact CB-CG1 3.54Å; A227-I300 HydrophobicContact CB-CG2 4.34Å; A227-K303 PolarHBondContact O-NZ 3.44Å
228D78.1Confident82.1Confident67 Ų6744.4 Ų44.436%0.35825%0.246SC..  trans-55.9147.5166.8-70-46.5000110.5I187 H230 I231 I232I187-D228 HydrophobicContact CG2-CB 4.44Å; D228-H230 VanDerWaalsContact C-N 3.35Å; D228-H230 PolarHBondContact O-N 3.34Å; D228-I231 HydrophobicContact CB-CG2 4.49Å; D228-I231 WeakPolarHBondContact O-CG2 3.39Å; D228-I232 PolarHBondContact O-N 3.47Å
229S71.4Confident82Confident67 Ų6736.1 Ų36.147%0.46922%0.215SC..Hα-helixtrans-57.9-51.2-175.6-161.50000110.5I231 I232 D233S229-I231 VanDerWaalsContact C-N 3.31Å; S229-I231 PolarHBondContact O-N 2.98Å; S229-I231 VanDerWaalsContact O-N 3.16Å; S229-I232 CarbonylContact O-C 3.51Å; S229-I232 WeakPolarHBondContact O-CA 3.41Å; S229-I232 WeakPolarHBondContact O-CB 3.36Å; S229-I232 PolarHBondContact O-N 3.01Å; S229-D233 PolarHBondContact O-N 3.49Å; S229-D233 PolarHBondContact OG-OD2 3.19Å
230H82.1Confident82Confident98 Ų9836.4 Ų36.445%0.45421%0.209SC..Hα-helixtrans-55.9-39.8-172.3-175.131.3000113.7D228 D233 C234D228-H230 VanDerWaalsContact C-N 3.35Å; D228-H230 PolarHBondContact O-N 3.34Å; H230-D233 PolarHBondContact O-N 2.94Å; H230-C234 VanDerWaalsContact CE1-SG 3.54Å; H230-C234 WeakPolarHBondContact O-CB 3.48Å; H230-C234 PolarHBondContact O-N 3.05Å; H230-C234 PolarHBondContact O-SG 3.43Å
231I85.7Confident82.1Confident1 Ų136 Ų361%0.00520%0.199CC..Hα-helixtrans-74.6-31.1178.2-161.5159.2000112.7I187 L190 S191 L194 F209 L226 D228 S229 L235I187-I231 HydrophobicContact CG2-CB 4.29Å; I187-I231 HydrophobicContact CG2-CD1 4.07Å; I187-I231 HydrophobicContact CG2-CG2 4.15Å; L190-I231 HydrophobicContact CB-CD1 4.34Å; S191-I231 WeakPolarHBondContact OG-CB 3.26Å; L194-I231 HydrophobicContact CD1-CD1 4.12Å; L194-I231 HydrophobicContact CD1-CG1 3.96Å; F209-I231 HydrophobicContact CD2-CD1 3.64Å; F209-I231 HydrophobicContact CE1-CD1 4.41Å; F209-I231 HydrophobicContact CE2-CD1 3.49Å; F209-I231 VanDerWaalsContact CE2-CD1 3.49Å; F209-I231 HydrophobicContact CE2-CG1 4.44Å; F209-I231 HydrophobicContact CG-CD1 4.18Å; F209-I231 HydrophobicContact CZ-CD1 3.9Å; F209-I231 HydrophobicContact CZ-CG1 4.38Å; L226-I231 WeakPolarHBondContact O-CG2 3.35Å; D228-I231 HydrophobicContact CB-CG2 4.49Å; D228-I231 WeakPolarHBondContact O-CG2 3.39Å; S229-I231 VanDerWaalsContact C-N 3.31Å; S229-I231 PolarHBondContact O-N 2.98Å; S229-I231 VanDerWaalsContact O-N 3.16Å; I231-L235 WeakPolarHBondContact O-CB 3.47Å; I231-L235 WeakPolarHBondContact O-CG 3.43Å; I231-L235 PolarHBondContact O-N 3.32Å
232I84Confident81.8Confident12 Ų1234.7 Ų34.76%0.06219%0.188CC..Hα-helixtrans-65.1-46.2169.1-65.7173.7000109.4A227 D228 S229 C234 L235 L236 L304A227-I232 HydrophobicContact CB-CD1 4.18Å; D228-I232 PolarHBondContact O-N 3.47Å; S229-I232 CarbonylContact O-C 3.51Å; S229-I232 WeakPolarHBondContact O-CA 3.41Å; S229-I232 WeakPolarHBondContact O-CB 3.36Å; S229-I232 PolarHBondContact O-N 3.01Å; I232-C234 PolarHBondContact O-N 3.26Å; I232-L235 WeakPolarHBondContact O-CB 3.46Å; I232-L235 PolarHBondContact O-N 2.99Å; I232-L235 VanDerWaalsContact O-N 3.07Å; I232-L236 HydrophobicContact CG2-CD1 4.15Å; I232-L236 HydrophobicContact CG2-CG 4.31Å; I232-L236 WeakPolarHBondContact O-CG 3.47Å; I232-L236 PolarHBondContact O-N 3.47Å; I232-L304 HydrophobicContact CG2-CD1 3.63Å
233D83.9Confident81.3Confident73 Ų7331 Ų3139%0.3917%0.169SC..Hα-helixtrans-60.6-43.2179.2-58.7-40.7000110.9S229 H230 L236 Q237S229-D233 PolarHBondContact O-N 3.49Å; S229-D233 PolarHBondContact OG-OD2 3.19Å; H230-D233 PolarHBondContact O-N 2.94Å; D233-L236 PolarHBondContact O-N 3.29Å; D233-Q237 WeakPolarHBondContact O-CB 3.33Å; D233-Q237 PolarHBondContact O-N 3.42Å
234C84.2Confident80.5Confident10 Ų1032.9 Ų32.97%0.06819%0.188CC..Hα-helixtrans-63.3-38.4171.7-69.50000113.1L194 H230 I232 Q237 R238L194-C234 HydrophobicContact CB-CB 4.19Å; H230-C234 VanDerWaalsContact CE1-SG 3.54Å; H230-C234 WeakPolarHBondContact O-CB 3.48Å; H230-C234 PolarHBondContact O-N 3.05Å; H230-C234 PolarHBondContact O-SG 3.43Å; I232-C234 PolarHBondContact O-N 3.26Å; C234-Q237 PolarHBondContact O-N 2.89Å; C234-R238 WeakPolarHBondContact O-CB 3.36Å; C234-R238 PolarHBondContact O-N 3.48Å
235L86.8Confident79.9Confident1 Ų131.1 Ų31.11%0.00518%0.175CC..Hα-helixtrans-67-41175.5-74.8167.6000111.6L206 F209 I231 I232 R238 L239 V286 I289 L290L206-L235 HydrophobicContact CD1-CD2 3.39Å; F209-L235 HydrophobicContact CD1-CD1 4.38Å; F209-L235 HydrophobicContact CE1-CD1 3.87Å; I231-L235 WeakPolarHBondContact O-CB 3.47Å; I231-L235 WeakPolarHBondContact O-CG 3.43Å; I231-L235 PolarHBondContact O-N 3.32Å; I232-L235 WeakPolarHBondContact O-CB 3.46Å; I232-L235 PolarHBondContact O-N 2.99Å; I232-L235 VanDerWaalsContact O-N 3.07Å; L235-R238 PolarHBondContact O-N 3.27Å; L235-L239 VanDerWaalsContact O-CB 3.3Å; L235-L239 WeakPolarHBondContact O-CB 3.33Å; L235-L239 PolarHBondContact O-N 3.21Å; L235-V286 HydrophobicContact CB-CG1 4.21Å; L235-V286 HydrophobicContact CD2-CG1 4.27Å; L235-V286 HydrophobicContact CD2-CG2 4.25Å; L235-I289 HydrophobicContact CD1-CG2 4.03Å; L235-I289 HydrophobicContact CD2-CD1 4.46Å; L235-I289 HydrophobicContact CD2-CG2 4.45Å; L235-L290 HydrophobicContact CD1-CD2 4.48Å
236L85.5Confident79.1Confident12 Ų1231 Ų316%0.06317%0.169CC..Hα-helixtrans-68.7-35.8175-63.8-176.5000111.6I232 D233 L239 R240 L290 L304 F311 T314I232-L236 HydrophobicContact CG2-CD1 4.15Å; I232-L236 HydrophobicContact CG2-CG 4.31Å; I232-L236 WeakPolarHBondContact O-CG 3.47Å; I232-L236 PolarHBondContact O-N 3.47Å; D233-L236 PolarHBondContact O-N 3.29Å; L236-L239 HydrophobicContact CD2-CD2 4.35Å; L236-L239 PolarHBondContact O-N 2.95Å; L236-R240 WeakPolarHBondContact O-CG 3.4Å; L236-R240 PolarHBondContact O-N 3.14Å; L236-L290 HydrophobicContact CD2-CD1 4.35Å; L236-L304 HydrophobicContact CD1-CD1 4.32Å; L236-F311 HydrophobicContact CD1-CD2 4.48Å; L236-F311 HydrophobicContact CD2-CD2 3.59Å; L236-F311 HydrophobicContact CD2-CE2 3.94Å; L236-T314 HydrophobicContact CD2-CG2 4.49Å
237Q84.4Confident77.8Confident63 Ų6336.1 Ų36.129%0.29420%0.2SC..Hα-helixtrans-61.4-50170.6-17058.625.700111.4D233 C234 L239 R240 V241 E246D233-Q237 WeakPolarHBondContact O-CB 3.33Å; D233-Q237 PolarHBondContact O-N 3.42Å; C234-Q237 PolarHBondContact O-N 2.89Å; Q237-L239 VanDerWaalsContact C-N 3.25Å; Q237-L239 PolarHBondContact O-N 3.06Å; Q237-R240 PolarHBondContact O-N 2.87Å; Q237-V241 WeakPolarHBondContact O-CG2 3.48Å; Q237-V241 PolarHBondContact O-N 3.41Å; Q237-E246 PolarHBondContact NE2-OE2 3.04Å; Q237-E246 PolarHBondContact OE1-OE2 3.31Å
238R83.3Confident76.6Confident32 Ų3241.4 Ų41.412%0.12123%0.227CC..Hα-helixtrans-62.5-34177.8-16174.5-174.41292111.7D203 C234 L235 A242 V286D203-R238 IonicContact OD1-CZ 3.15Å; D203-R238 IonicContact OD1-NE 3.73Å; D203-R238 PolarHBondContact OD1-NE 2.94Å; D203-R238 IonicContact OD1-NH2 2.87Å; D203-R238 PolarHBondContact OD1-NH2 2.98Å; D203-R238 IonicContact OD2-NH2 3.81Å; C234-R238 WeakPolarHBondContact O-CB 3.36Å; C234-R238 PolarHBondContact O-N 3.48Å; L235-R238 PolarHBondContact O-N 3.27Å; R238-A242 WeakPolarHBondContact O-CB 3.27Å; R238-A242 PolarHBondContact O-N 3.45Å; R238-V286 HydrophobicContact CB-CG2 4.44Å
239L85.4Confident74.5Confident0 Ų044.4 Ų44.40%024%0.244CC..Hα-helixtrans-67.1-42.2174.1-176.457.8000112.5L235 L236 Q237 G243 V283 V286 T287 L290 T314 L315 V318L235-L239 VanDerWaalsContact O-CB 3.3Å; L235-L239 WeakPolarHBondContact O-CB 3.33Å; L235-L239 PolarHBondContact O-N 3.21Å; L236-L239 HydrophobicContact CD2-CD2 4.35Å; L236-L239 PolarHBondContact O-N 2.95Å; Q237-L239 VanDerWaalsContact C-N 3.25Å; Q237-L239 PolarHBondContact O-N 3.06Å; L239-G243 PolarHBondContact O-N 3.42Å; L239-V283 HydrophobicContact CD1-CB 4.39Å; L239-V283 HydrophobicContact CD1-CG1 3.71Å; L239-V283 HydrophobicContact CD1-CG2 4.33Å; L239-V286 HydrophobicContact CB-CG1 4.09Å; L239-V286 HydrophobicContact CD2-CG1 4.42Å; L239-T287 HydrophobicContact CD1-CG2 4.41Å; L239-L290 HydrophobicContact CD2-CD1 4.36Å; L239-T314 HydrophobicContact CD2-CG2 4.1Å; L239-T314 HydrophobicContact CG-CG2 4.36Å; L239-L315 HydrophobicContact CD2-CD2 4Å; L239-V318 HydrophobicContact CD1-CG2 4.48Å; L239-V318 HydrophobicContact CG-CG2 4.21Å
240R83.8Confident72.6Confident67 Ų6749.9 Ų49.925%0.25326%0.262SS..Hα-helixtrans-63.9-49.6175-73.8-176.4-69.4176.1-13.6111.8L236 Q237 G243 G244 V245 E246 T314L236-R240 WeakPolarHBondContact O-CG 3.4Å; L236-R240 PolarHBondContact O-N 3.14Å; Q237-R240 PolarHBondContact O-N 2.87Å; R240-G243 PolarHBondContact O-N 2.82Å; R240-G244 PolarHBondContact O-N 3.27Å; R240-V245 HydrophobicContact CB-CB 4.11Å; R240-V245 HydrophobicContact CB-CG1 4.47Å; R240-V245 HydrophobicContact CG-CB 4.43Å; R240-V245 HydrophobicContact CG-CG1 4.39Å; R240-V245 VanDerWaalsContact O-CB 3.31Å; R240-V245 WeakPolarHBondContact O-CB 3.47Å; R240-V245 PolarHBondContact O-N 2.96Å; R240-E246 HydrophobicContact CB-CG 4.21Å; R240-E246 VanDerWaalsContact CD-OE1 3.29Å; R240-E246 WeakPolarHBondContact CD-OE1 3.35Å; R240-E246 IonicContact CZ-OE1 3.67Å; R240-E246 VanDerWaalsContact CZ-OE1 3.29Å; R240-E246 IonicContact CZ-OE2 2.83Å; R240-E246 IonicContact NE-OE1 3.67Å; R240-E246 PolarHBondContact NE-OE1 3.42Å; R240-E246 IonicContact NE-OE2 3.16Å; R240-E246 IonicContact NH1-OE1 3.25Å; R240-E246 PolarHBondContact NH1-OE1 3.41Å; R240-E246 IonicContact NH1-OE2 2.8Å; R240-T314 HydrophobicContact CG-CG2 3.72Å
241V81.4Confident70.5Confident28 Ų2851 Ų5117%0.1728%0.276CS..Hα-helixtrans-63.5-49.9178.5175.40000111Q237 G243 G244 E246Q237-V241 WeakPolarHBondContact O-CG2 3.48Å; Q237-V241 PolarHBondContact O-N 3.41Å; V241-G243 VanDerWaalsContact C-N 3.29Å; V241-G243 PolarHBondContact O-N 2.98Å; V241-G244 PolarHBondContact O-N 3.17Å; V241-G244 VanDerWaalsContact O-N 3.13Å; V241-E246 HydrophobicContact CG2-CB 4.47Å
242A77.7Confident67.8Low6 Ų656.9 Ų56.95%0.0531%0.312CS..Hα-helixtrans-66.8-28.2-179.800000113.6R238 G244 S278 N279 A282 V283R238-A242 WeakPolarHBondContact O-CB 3.27Å; R238-A242 PolarHBondContact O-N 3.45Å; A242-G244 VanDerWaalsContact C-N 3.29Å; A242-S278 CarbonylContact O-C 3.59Å; A242-S278 VanDerWaalsContact O-CA 3.29Å; A242-S278 WeakPolarHBondContact O-CA 3.36Å; A242-S278 WeakPolarHBondContact O-CB 3.43Å; A242-N279 HydrophobicContact CB-CB 4.36Å; A242-N279 PolarHBondContact O-N 3.43Å; A242-A282 HydrophobicContact CB-CB 3.68Å; A242-V283 HydrophobicContact CB-CG2 3.73Å
243G69.8Low65.4Low0 Ų064.2 Ų64.20%035%0.351CS..THydrogen-bonded Turntrans-81.63.7174.300000115L239 R240 V241 V245L239-G243 PolarHBondContact O-N 3.42Å; R240-G243 PolarHBondContact O-N 2.82Å; V241-G243 VanDerWaalsContact C-N 3.29Å; V241-G243 PolarHBondContact O-N 2.98Å; G243-V245 VanDerWaalsContact C-N 3.27Å; G243-V245 PolarHBondContact O-N 3.27Å
244G67.7Low62.8Low39 Ų3966 Ų6640%0.40237%0.369SS..THydrogen-bonded Turntrans71.118.7-178.600000114.4R240 V241 A242R240-G244 PolarHBondContact O-N 3.27Å; V241-G244 PolarHBondContact O-N 3.17Å; V241-G244 VanDerWaalsContact O-N 3.13Å; A242-G244 VanDerWaalsContact C-N 3.29Å
245V66.9Low60.4Low7 Ų771.5 Ų71.54%0.04241%0.408CS..SBendtrans-81.3-36-177.9-178.80000111.7R240 G243 M317 V318 R321R240-V245 HydrophobicContact CB-CB 4.11Å; R240-V245 HydrophobicContact CB-CG1 4.47Å; R240-V245 HydrophobicContact CG-CB 4.43Å; R240-V245 HydrophobicContact CG-CG1 4.39Å; R240-V245 VanDerWaalsContact O-CB 3.31Å; R240-V245 WeakPolarHBondContact O-CB 3.47Å; R240-V245 PolarHBondContact O-N 2.96Å; G243-V245 VanDerWaalsContact C-N 3.27Å; G243-V245 PolarHBondContact O-N 3.27Å; V245-M317 HydrophobicContact CG1-CB 3.75Å; V245-M317 HydrophobicContact CG1-CE 3.57Å; V245-M317 HydrophobicContact CG1-CG 4.48Å; V245-M317 HydrophobicContact CG1-SD 4.06Å; V245-M317 HydrophobicContact CG2-CB 4.12Å; V245-V318 HydrophobicContact CG2-CB 4.27Å; V245-V318 HydrophobicContact CG2-CG2 3.64Å; V245-R321 PolarHBondContact O-NH1 3.01Å
246E63.2Low57.8Low63 Ų6375 Ų7529%0.29444%0.444SS..SBendtrans-125.4138.4-177.7-69.2-179.2-179.100110.2Q237 R240 V241Q237-E246 PolarHBondContact NE2-OE2 3.04Å; Q237-E246 PolarHBondContact OE1-OE2 3.31Å; R240-E246 HydrophobicContact CB-CG 4.21Å; R240-E246 VanDerWaalsContact CD-OE1 3.29Å; R240-E246 WeakPolarHBondContact CD-OE1 3.35Å; R240-E246 IonicContact CZ-OE1 3.67Å; R240-E246 VanDerWaalsContact CZ-OE1 3.29Å; R240-E246 IonicContact CZ-OE2 2.83Å; R240-E246 IonicContact NE-OE1 3.67Å; R240-E246 PolarHBondContact NE-OE1 3.42Å; R240-E246 IonicContact NE-OE2 3.16Å; R240-E246 IonicContact NH1-OE1 3.25Å; R240-E246 PolarHBondContact NH1-OE1 3.41Å; R240-E246 IonicContact NH1-OE2 2.8Å; V241-E246 HydrophobicContact CG2-CB 4.47Å
247T52.8Low55.3Low106 Ų10680.1 Ų80.165%0.6548%0.478SS*.  trans-99.1129.6177.653.50000110.2N249T247-N249 PolarHBondContact O-N 2.9Å
248D49.5Very low52.5Low117 Ų11782.1 Ų82.163%0.62650%0.499SS*.SBendtrans-69.472.4173.3-73.2-46.1000111.9
249N35.1Very low49.9Very low131 Ų13189 Ų8970%0.70154%0.537SS*.  trans-146.3147.8175.7-88-51.1000111.7T247T247-N249 PolarHBondContact O-N 2.9Å
250E31.9Very low47.3Very low181 Ų18193.8 Ų93.885%0.84657%0.568SS**  trans62.176.3169.3-58.5-165.9176.600118.7
251V37.3Very low44.7Very low123 Ų12396.2 Ų96.275%0.74559%0.591SS**  trans-126.2124.2136.7-178.50000108.2
252T29.3Very low42.2Very low124 Ų124101.6 Ų101.676%0.76162%0.618SS**  trans-109.379.7-171.639.70000112.6S254T252-S254 PolarHBondContact O-N 3.38Å
253D32.8Very low39.9Very low165 Ų165107 Ų10788%0.88265%0.651SS**  trans-72.5126.2167.5-89.9-39.7000111.1
254S30Very low38Very low112 Ų112113.1 Ų113.178%0.78369%0.693SS**  trans-130.394.6-166.445.60000113T252T252-S254 PolarHBondContact O-N 3.38Å
255S34.8Very low36.3Very low125 Ų125114.6 Ų114.687%0.87471%0.709SS**  trans-166.6151.8158.454.20000112.6
256G30.2Very low34.5Very low74 Ų74119.8 Ų119.876%0.76375%0.746SS**  trans101.6108.2172.100000115.4
257P33.7Very low33Very low120 Ų120121.3 Ų121.378%0.77976%0.763SS**  trans-103.8134.5-170.936.9-32.5000115.9
258S25.2Very low31.9Very low104 Ų104126.9 Ų126.973%0.72777%0.772SS**  trans29.8121.3142.464.30000121.5
259L29.8Very low30.9Very low176 Ų176128.1 Ų128.192%0.92178%0.779SS**  trans-125137.6132.9-110.992.1000109.4
260P30.2Very low30.5Very low102 Ų102125.4 Ų125.466%0.66278%0.782SS**  trans-100.4-173.8179.638.7-34.5000113.6
261T29.1Very low30.2Very low118 Ų118125.8 Ų125.872%0.72479%0.788SS**  trans79.3141.2173.373.30000116.9
262D29.2Very low29.8Very low140 Ų140125.2 Ų125.275%0.74979%0.79SS**  cis-156.9151.6-21.9-110.3-31.2000113.6
263T28.9Very low29.6Very low121 Ų121124.1 Ų124.174%0.74279%0.787SS**  trans14.2125.9160.759.20000122.2
264S30.5Very low29.3Very low127 Ų127122.6 Ų122.689%0.88878%0.784SS**  177.9149.1104.345.30000114.1
265G31.8Very low29.3Very low70 Ų70122.3 Ų122.372%0.72278%0.777SS**  trans85.395.1-179.500000113.5
266S30.1Very low29.4Very low117 Ų117122.3 Ų122.382%0.81877%0.772SS**  57.7117.561.2-1490000112
267S31.4Very low30.4Very low95 Ų95126.8 Ų126.866%0.66477%0.774SS**  cis-15715127.8-43.60000113.8
268R29.9Very low31.7Very low222 Ų222122.4 Ų122.484%0.83875%0.745SS**  trans37.4143.3134.8-65.4-170.4163.91401.1121.4
269D27.2Very low34.2Very low144 Ų144120.1 Ų120.177%0.7773%0.725SS**  cis-162.4145.9-8.6-89.5-34.7000106.2
270G28.2Very low36.7Very low73 Ų73113.4 Ų113.475%0.75369%0.692SS**  trans16845.9-179.800000119S272G270-S272 PolarHBondContact O-N 2.92Å; G270-S272 VanDerWaalsContact O-N 3.11Å
271L25.9Very low39.2Very low189 Ų189112.9 Ų112.999%0.9969%0.687SS**  trans-80.187174.8-170.475.9000111.2
272S27.8Very low41.8Very low112 Ų112107.4 Ų107.478%0.78365%0.653SS**  trans-97.9133.3173.3540000111.9G270G270-S272 PolarHBondContact O-N 2.92Å; G270-S272 VanDerWaalsContact O-N 3.11Å
273S24.5Very low44.5Very low100 Ų100100.7 Ų100.770%0.69962%0.618SS**  trans-70.2145.2-177.751.70000114.1T275S273-T275 PolarHBondContact O-N 3.42Å
274V27.7Very low47.2Very low133 Ų13398 Ų9881%0.80660%0.597SS**  trans-15.9109.4150.5-177.40000114.3
275T29.4Very low49.9Very low106 Ų10693.5 Ų93.565%0.6557%0.567SS**  trans-135.5141.3157450000109.5S273 E277S273-T275 PolarHBondContact O-N 3.42Å; T275-E277 PolarHBondContact O-N 2.89Å; T275-E277 VanDerWaalsContact O-N 3.15Å
276T37.2Very low52.6Low126 Ų12690.2 Ų90.277%0.77353%0.533SS*.  trans-86.877.9-170.7500000111.5
277E50.4Low55.4Low168 Ų16884.9 Ų84.979%0.78550%0.495SS*.  trans-96.8114.7177.5-66.8-173.9-17800111.4T275T275-E277 PolarHBondContact O-N 2.89Å; T275-E277 VanDerWaalsContact O-N 3.15Å
278S62.4Low58.1Low27 Ų2784.3 Ų84.319%0.18949%0.485CS..  trans-63.8143.9170.851.60000111A242 P280A242-S278 CarbonylContact O-C 3.59Å; A242-S278 VanDerWaalsContact O-CA 3.29Å; A242-S278 WeakPolarHBondContact O-CA 3.36Å; A242-S278 WeakPolarHBondContact O-CB 3.43Å; S278-P280 WeakPolarHBondContact O-CD 3.43Å
279N77.6Confident60.9Low56 Ų5674 Ų7430%0.29945%0.447SS..  trans-98.293.3176.4-179.9-14000110.2A242 V281 A282 V283A242-N279 HydrophobicContact CB-CB 4.36Å; A242-N279 PolarHBondContact O-N 3.43Å; N279-V281 PolarHBondContact O-N 3.49Å; N279-V281 WeakPolarHBondContact OD1-CB 3.14Å; N279-V281 PolarHBondContact OD1-N 2.89Å; N279-V281 VanDerWaalsContact OD1-N 3.15Å; N279-A282 HydrophobicContact CB-CB 4.11Å; N279-A282 PolarHBondContact O-N 2.99Å; N279-A282 PolarHBondContact OD1-N 3.5Å; N279-V283 PolarHBondContact O-N 3.15Å; N279-V283 VanDerWaalsContact O-N 3.1Å
280P81.1Confident63.9Low35 Ų3567.3 Ų67.323%0.22741%0.41CS..Hα-helixtrans-62-30.1-178.423.4-34.3000112.9S278 V283 H284 D324 V327S278-P280 WeakPolarHBondContact O-CD 3.43Å; P280-V283 PolarHBondContact O-N 2.83Å; P280-H284 VanDerWaalsContact O-CB 3.24Å; P280-H284 WeakPolarHBondContact O-CB 3.37Å; P280-H284 PolarHBondContact O-CD2 3.36Å; P280-H284 PolarHBondContact O-N 2.97Å; P280-D324 WeakPolarHBondContact CB-OD2 3.47Å; P280-V327 HydrophobicContact CB-CG2 3.86Å
281V83.1Confident66.7Low91 Ų9165.2 Ų65.255%0.55238%0.383SS*.Hα-helixtrans-66-41.1178.9-175.50000110.7N279 A285N279-V281 PolarHBondContact O-N 3.49Å; N279-V281 WeakPolarHBondContact OD1-CB 3.14Å; N279-V281 PolarHBondContact OD1-N 2.89Å; N279-V281 VanDerWaalsContact OD1-N 3.15Å; V281-A285 WeakPolarHBondContact O-CB 3.44Å; V281-A285 PolarHBondContact O-N 3.49Å
282A83.6Confident69.6Low3 Ų358.3 Ų58.33%0.02535%0.351CS..Hα-helixtrans-69.4-42.7174.900000112A242 N279 A285 V286A242-A282 HydrophobicContact CB-CB 3.68Å; N279-A282 HydrophobicContact CB-CB 4.11Å; N279-A282 PolarHBondContact O-N 2.99Å; N279-A282 PolarHBondContact OD1-N 3.5Å; A282-A285 PolarHBondContact O-N 3.18Å; A282-V286 WeakPolarHBondContact O-CG2 3.2Å; A282-V286 PolarHBondContact O-N 3.41Å
283V85.1Confident72.4Confident0 Ų053 Ų530%031%0.314CS..Hα-helixtrans-63.5-44.2175.7179.50000111.5L239 A242 N279 P280 A285 V286 T287 V327 V331L239-V283 HydrophobicContact CD1-CB 4.39Å; L239-V283 HydrophobicContact CD1-CG1 3.71Å; L239-V283 HydrophobicContact CD1-CG2 4.33Å; A242-V283 HydrophobicContact CB-CG2 3.73Å; N279-V283 PolarHBondContact O-N 3.15Å; N279-V283 VanDerWaalsContact O-N 3.1Å; P280-V283 PolarHBondContact O-N 2.83Å; V283-A285 VanDerWaalsContact C-N 3.31Å; V283-A285 PolarHBondContact O-N 3.15Å; V283-V286 PolarHBondContact O-N 3.36Å; V283-T287 HydrophobicContact CG1-CG2 4.06Å; V283-T287 WeakPolarHBondContact O-CB 3.34Å; V283-T287 WeakPolarHBondContact O-CG2 3.48Å; V283-T287 PolarHBondContact O-N 3.28Å; V283-T287 PolarHBondContact O-OG1 3.28Å; V283-V327 HydrophobicContact CB-CG1 4.49Å; V283-V327 HydrophobicContact CG1-CG1 4.1Å; V283-V327 HydrophobicContact CG2-CG1 4.31Å; V283-V331 HydrophobicContact CG1-CG2 4.33Å
284H86.1Confident75.3Confident65 Ų6548.4 Ų48.430%0.30128%0.281SS..Hα-helixtrans-60-39173-73.6-41000112P280 T287 N288 L326 S330P280-H284 VanDerWaalsContact O-CB 3.24Å; P280-H284 WeakPolarHBondContact O-CB 3.37Å; P280-H284 PolarHBondContact O-CD2 3.36Å; P280-H284 PolarHBondContact O-N 2.97Å; H284-T287 WeakPolarHBondContact CA-OG1 3.43Å; H284-T287 PolarHBondContact O-OG1 2.72Å; H284-N288 WeakPolarHBondContact O-CB 3.25Å; H284-N288 PolarHBondContact O-N 3.16Å; H284-N288 VanDerWaalsContact O-N 3.1Å; H284-N288 PolarHBondContact O-ND2 2.8Å; H284-L326 PolarHBondContact CE1-O 2.99Å; H284-L326 VanDerWaalsContact CE1-O 3.3Å; H284-S330 WeakPolarHBondContact ND1-CB 3.36Å
285A87.1Confident78Confident32 Ų3245 Ų4526%0.26426%0.263SS..Hα-helixtrans-65.2-50.5176.800000111.6L206 V281 A282 V283 N288 I289L206-A285 HydrophobicContact CD2-CB 3.62Å; L206-A285 HydrophobicContact CG-CB 4.21Å; V281-A285 WeakPolarHBondContact O-CB 3.44Å; V281-A285 PolarHBondContact O-N 3.49Å; A282-A285 PolarHBondContact O-N 3.18Å; V283-A285 VanDerWaalsContact C-N 3.31Å; V283-A285 PolarHBondContact O-N 3.15Å; A285-N288 PolarHBondContact O-N 3.2Å; A285-I289 WeakPolarHBondContact O-CD1 3.33Å; A285-I289 VanDerWaalsContact O-CG1 3.26Å; A285-I289 WeakPolarHBondContact O-CG1 3.29Å; A285-I289 PolarHBondContact O-N 2.82Å
286V89.4Confident80.6Confident0 Ų043.2 Ų43.20%025%0.249CC..Hα-helixtrans-63.1-46.4179.1179.30000111.6L206 L235 R238 L239 A282 V283 N288 I289 L290L206-V286 HydrophobicContact CD1-CG2 3.98Å; L206-V286 HydrophobicContact CD2-CG2 3.94Å; L235-V286 HydrophobicContact CB-CG1 4.21Å; L235-V286 HydrophobicContact CD2-CG1 4.27Å; L235-V286 HydrophobicContact CD2-CG2 4.25Å; R238-V286 HydrophobicContact CB-CG2 4.44Å; L239-V286 HydrophobicContact CB-CG1 4.09Å; L239-V286 HydrophobicContact CD2-CG1 4.42Å; A282-V286 WeakPolarHBondContact O-CG2 3.2Å; A282-V286 PolarHBondContact O-N 3.41Å; V283-V286 PolarHBondContact O-N 3.36Å; V286-N288 VanDerWaalsContact C-N 3.34Å; V286-N288 PolarHBondContact O-N 2.95Å; V286-I289 PolarHBondContact O-N 2.93Å; V286-I289 VanDerWaalsContact O-N 3.15Å; V286-L290 HydrophobicContact CG1-CD1 3.81Å; V286-L290 HydrophobicContact CG1-CG 4.12Å; V286-L290 WeakPolarHBondContact O-CG 3.36Å; V286-L290 PolarHBondContact O-N 3.25Å
287T88.4Confident82.7Confident5 Ų537.6 Ų37.63%0.03122%0.215CC..Hα-helixtrans-62.3-38.2179.750.70000112.4L239 V283 H284 T291 V331 L334L239-T287 HydrophobicContact CD1-CG2 4.41Å; V283-T287 HydrophobicContact CG1-CG2 4.06Å; V283-T287 WeakPolarHBondContact O-CB 3.34Å; V283-T287 WeakPolarHBondContact O-CG2 3.48Å; V283-T287 PolarHBondContact O-N 3.28Å; V283-T287 PolarHBondContact O-OG1 3.28Å; H284-T287 WeakPolarHBondContact CA-OG1 3.43Å; H284-T287 PolarHBondContact O-OG1 2.72Å; T287-T291 VanDerWaalsContact O-CB 3.32Å; T287-T291 WeakPolarHBondContact O-CB 3.15Å; T287-T291 PolarHBondContact O-N 3.04Å; T287-T291 PolarHBondContact O-OG1 3.02Å; T287-V331 HydrophobicContact CG2-CG2 4.14Å; T287-L334 HydrophobicContact CG2-CD2 4.02Å
288N87.8Confident84.1Confident84 Ų8432.6 Ų32.645%0.44920%0.196SC..Hα-helixtrans-69.2-35.7173.6-78.1-59.5000113H284 A285 V286 S292H284-N288 WeakPolarHBondContact O-CB 3.25Å; H284-N288 PolarHBondContact O-N 3.16Å; H284-N288 VanDerWaalsContact O-N 3.1Å; H284-N288 PolarHBondContact O-ND2 2.8Å; A285-N288 PolarHBondContact O-N 3.2Å; V286-N288 VanDerWaalsContact C-N 3.34Å; V286-N288 PolarHBondContact O-N 2.95Å; N288-S292 WeakPolarHBondContact O-CB 3.28Å; N288-S292 PolarHBondContact O-N 3.42Å; N288-S292 PolarHBondContact O-OG 3.37Å
289I89Confident84.8Confident6 Ų634.9 Ų34.93%0.03121%0.212CC..Hα-helixtrans-63.6-51.8173.5-72161.5000110.2L206 F209 A210 V213 L235 A285 V286 T291 S292 L293L206-I289 HydrophobicContact CD1-CD1 3.43Å; L206-I289 VanDerWaalsContact CD1-CD1 3.43Å; L206-I289 HydrophobicContact CG-CD1 3.86Å; F209-I289 HydrophobicContact CD1-CD1 4.47Å; F209-I289 HydrophobicContact CD1-CG2 3.86Å; F209-I289 HydrophobicContact CE1-CG2 3.68Å; A210-I289 HydrophobicContact CB-CD1 4.03Å; A210-I289 HydrophobicContact CB-CG1 3.97Å; V213-I289 HydrophobicContact CG2-CG2 4.43Å; L235-I289 HydrophobicContact CD1-CG2 4.03Å; L235-I289 HydrophobicContact CD2-CD1 4.46Å; L235-I289 HydrophobicContact CD2-CG2 4.45Å; A285-I289 WeakPolarHBondContact O-CD1 3.33Å; A285-I289 VanDerWaalsContact O-CG1 3.26Å; A285-I289 WeakPolarHBondContact O-CG1 3.29Å; A285-I289 PolarHBondContact O-N 2.82Å; V286-I289 PolarHBondContact O-N 2.93Å; V286-I289 VanDerWaalsContact O-N 3.15Å; I289-T291 VanDerWaalsContact C-N 3.34Å; I289-T291 PolarHBondContact O-N 2.89Å; I289-S292 WeakPolarHBondContact O-CB 3.46Å; I289-S292 PolarHBondContact O-N 3.35Å; I289-L293 HydrophobicContact CG2-CD1 4.04Å; I289-L293 WeakPolarHBondContact O-CG 3.31Å; I289-L293 PolarHBondContact O-N 2.87Å
290L89.5Confident84.9Confident2 Ų232.4 Ų32.41%0.0120%0.199CC..Hα-helixtrans-60.4-42.4178.3-67.4174.7000111.6L235 L236 L239 V286 S292 L293 C294 L304 F311 L334L235-L290 HydrophobicContact CD1-CD2 4.48Å; L236-L290 HydrophobicContact CD2-CD1 4.35Å; L239-L290 HydrophobicContact CD2-CD1 4.36Å; V286-L290 HydrophobicContact CG1-CD1 3.81Å; V286-L290 HydrophobicContact CG1-CG 4.12Å; V286-L290 WeakPolarHBondContact O-CG 3.36Å; V286-L290 PolarHBondContact O-N 3.25Å; L290-S292 VanDerWaalsContact C-N 3.33Å; L290-S292 PolarHBondContact O-N 3.09Å; L290-L293 PolarHBondContact O-N 2.85Å; L290-C294 WeakPolarHBondContact O-CB 3.4Å; L290-C294 PolarHBondContact O-N 3.05Å; L290-C294 PolarHBondContact O-SG 3.49Å; L290-L304 HydrophobicContact CD2-CD2 4.24Å; L290-F311 HydrophobicContact CD1-CE2 4.02Å; L290-F311 HydrophobicContact CD1-CZ 4.5Å; L290-L334 HydrophobicContact CB-CD1 4.3Å; L290-L334 HydrophobicContact CB-CD2 4.32Å; L290-L334 HydrophobicContact CD1-CD2 4.24Å
291T88.2Confident84.9Confident29 Ų2931.1 Ų31.118%0.17819%0.19CC..Hα-helixtrans-57.3-46.1172.5-57.60000111.1T287 I289 C294 C295 L334 V337T287-T291 VanDerWaalsContact O-CB 3.32Å; T287-T291 WeakPolarHBondContact O-CB 3.15Å; T287-T291 PolarHBondContact O-N 3.04Å; T287-T291 PolarHBondContact O-OG1 3.02Å; I289-T291 VanDerWaalsContact C-N 3.34Å; I289-T291 PolarHBondContact O-N 2.89Å; T291-C294 PolarHBondContact O-N 3.18Å; T291-C295 VanDerWaalsContact O-CB 3.29Å; T291-C295 WeakPolarHBondContact O-CB 3.48Å; T291-C295 PolarHBondContact O-N 3.01Å; T291-C295 PolarHBondContact O-SG 3.22Å; T291-L334 WeakPolarHBondContact OG1-CD1 3.37Å; T291-V337 HydrophobicContact CG2-CG1 4.19Å; T291-V337 HydrophobicContact CG2-CG2 4.36Å
292S86.5Confident84.6Confident44 Ų4429.3 Ų29.331%0.30818%0.176SC..Hα-helixtrans-66.9-38.6-178.2-600000112.8N288 I289 L290 N296N288-S292 WeakPolarHBondContact O-CB 3.28Å; N288-S292 PolarHBondContact O-N 3.42Å; N288-S292 PolarHBondContact O-OG 3.37Å; I289-S292 WeakPolarHBondContact O-CB 3.46Å; I289-S292 PolarHBondContact O-N 3.35Å; L290-S292 VanDerWaalsContact C-N 3.33Å; L290-S292 PolarHBondContact O-N 3.09Å; S292-N296 PolarHBondContact O-ND2 2.93Å
293L87.1Confident84.3Confident2 Ų233.4 Ų33.41%0.0119%0.193CC..Hα-helixtrans-65.6-51.3174.3-70.5172.2000111.2F209 V213 P223 L226 I289 L290 N296 S297 I300F209-L293 HydrophobicContact CE1-CD1 4.32Å; V213-L293 HydrophobicContact CG1-CD2 3.97Å; V213-L293 HydrophobicContact CG1-CG 4.18Å; V213-L293 HydrophobicContact CG2-CD2 3.84Å; V213-L293 HydrophobicContact CG2-CG 4.28Å; P223-L293 HydrophobicContact CB-CD2 3.83Å; P223-L293 HydrophobicContact CG-CD2 4.34Å; L226-L293 HydrophobicContact CB-CD2 4.34Å; L226-L293 HydrophobicContact CD1-CD2 4.36Å; I289-L293 HydrophobicContact CG2-CD1 4.04Å; I289-L293 WeakPolarHBondContact O-CG 3.31Å; I289-L293 PolarHBondContact O-N 2.87Å; L290-L293 PolarHBondContact O-N 2.85Å; L293-N296 PolarHBondContact O-N 3.45Å; L293-S297 PolarHBondContact O-N 3.42Å; L293-I300 HydrophobicContact CB-CD1 4.01Å; L293-I300 HydrophobicContact CB-CG2 4.32Å; L293-I300 HydrophobicContact CD2-CD1 4.06Å
294C84.9Confident84.1Confident3 Ų333.6 Ų33.62%0.0219%0.194CC..Hα-helixtrans-64.1-44.8-176.9-63.70000112.3L290 T291 N296 S297 T301 L338 L341L290-C294 WeakPolarHBondContact O-CB 3.4Å; L290-C294 PolarHBondContact O-N 3.05Å; L290-C294 PolarHBondContact O-SG 3.49Å; T291-C294 PolarHBondContact O-N 3.18Å; C294-N296 PolarHBondContact O-N 3.22Å; C294-N296 VanDerWaalsContact O-N 3.14Å; C294-S297 CarbonylContact O-C 3.52Å; C294-S297 PolarHBondContact O-N 3.2Å; C294-T301 VanDerWaalsContact CA-OG1 3.31Å; C294-T301 WeakPolarHBondContact CA-OG1 3.43Å; C294-T301 WeakPolarHBondContact CB-OG1 3.44Å; C294-T301 PolarHBondContact O-OG1 3.39Å; C294-T301 VanDerWaalsContact O-OG1 3.04Å; C294-L338 HydrophobicContact CB-CD2 4.11Å; C294-L341 HydrophobicContact CB-CD1 3.88Å
295C85.1Confident83.6Confident62 Ų6230.9 Ų30.942%0.41918%0.181SC..Hα-helixtrans-62.1-20.6178.7-75.40000114.7T291 V337T291-C295 VanDerWaalsContact O-CB 3.29Å; T291-C295 WeakPolarHBondContact O-CB 3.48Å; T291-C295 PolarHBondContact O-N 3.01Å; T291-C295 PolarHBondContact O-SG 3.22Å; C295-V337 WeakPolarHBondContact SG-CG1 3.24Å
296N83.4Confident82.8Confident68 Ų6831.9 Ų31.936%0.36418%0.184SC..Hα-helixtrans-110.8-3.6-178.5-66.1-95000112.7T217 P223 S292 L293 C294T217-N296 HydrophobicContact CG2-CB 4.43Å; T217-N296 VanDerWaalsContact CG2-ND2 3.26Å; T217-N296 WeakPolarHBondContact CG2-ND2 3.37Å; P223-N296 WeakPolarHBondContact CD-O 3.42Å; P223-N296 HydrophobicContact CG-CB 3.88Å; S292-N296 PolarHBondContact O-ND2 2.93Å; L293-N296 PolarHBondContact O-N 3.45Å; C294-N296 PolarHBondContact O-N 3.22Å; C294-N296 VanDerWaalsContact O-N 3.14Å
297S81.1Confident81.6Confident7 Ų734.1 Ų34.15%0.04920%0.2CC..  trans-147.2114.1174.7-162.80000112.7D222 L293 C294 S299 I300 T301D222-S297 WeakPolarHBondContact OD1-CB 3.29Å; D222-S297 PolarHBondContact OD1-OG 3.4Å; L293-S297 PolarHBondContact O-N 3.42Å; C294-S297 CarbonylContact O-C 3.52Å; C294-S297 PolarHBondContact O-N 3.2Å; S297-S299 PolarHBondContact O-N 3.17Å; S297-I300 PolarHBondContact O-N 2.87Å; S297-T301 PolarHBondContact O-N 3.34Å; S297-T301 VanDerWaalsContact O-N 3.17Å; S297-T301 PolarHBondContact O-OG1 2.75Å
298V78.7Confident80.2Confident64 Ų6440.4 Ų40.439%0.38823%0.233SC..Hα-helixtrans-61.3-35170.4173.30000111.1T301 H302 T345 W424V298-T301 WeakPolarHBondContact O-CB 3.44Å; V298-T301 PolarHBondContact O-N 2.99Å; V298-H302 WeakPolarHBondContact O-CB 3.43Å; V298-H302 PolarHBondContact O-N 3.07Å; V298-T345 HydrophobicContact CB-CG2 4.22Å; V298-T345 HydrophobicContact CG1-CG2 3.57Å; V298-T345 HydrophobicContact CG2-CG2 3.6Å; V298-W424 HydrophobicContact CG2-CH2 4.11Å
299S77.3Confident79.3Confident75 Ų7536.8 Ų36.852%0.52422%0.215SC..Hα-helixtrans-63.2-45.5179.5-170.10000112S297 H302 K303S297-S299 PolarHBondContact O-N 3.17Å; S299-H302 PolarHBondContact O-N 3.45Å; S299-K303 VanDerWaalsContact O-CB 3.3Å; S299-K303 WeakPolarHBondContact O-CB 3.38Å; S299-K303 PolarHBondContact O-N 3.29Å
300I81Confident78.7Confident4 Ų441.9 Ų41.92%0.02124%0.239CC..Hα-helixtrans-62.2-46.3174.6-56.2177.6000110.2P223 A227 L293 S297 H302 K303 L304P223-I300 HydrophobicContact CB-CD1 4.25Å; P223-I300 HydrophobicContact CG-CD1 3.95Å; A227-I300 HydrophobicContact CB-CB 4.5Å; A227-I300 HydrophobicContact CB-CD1 3.69Å; A227-I300 HydrophobicContact CB-CG1 3.54Å; A227-I300 HydrophobicContact CB-CG2 4.34Å; L293-I300 HydrophobicContact CB-CD1 4.01Å; L293-I300 HydrophobicContact CB-CG2 4.32Å; L293-I300 HydrophobicContact CD2-CD1 4.06Å; S297-I300 PolarHBondContact O-N 2.87Å; I300-H302 VanDerWaalsContact C-N 3.32Å; I300-H302 PolarHBondContact O-N 2.99Å; I300-K303 PolarHBondContact O-N 2.98Å; I300-L304 VanDerWaalsContact O-CB 3.26Å; I300-L304 WeakPolarHBondContact O-CB 3.38Å; I300-L304 PolarHBondContact O-N 3.47Å
301T81.3Confident78.4Confident8 Ų841.9 Ų41.95%0.04924%0.239CC..Hα-helixtrans-56.9-46.4179.6-55.30000110.9C294 S297 V298 L305 L338 L341C294-T301 VanDerWaalsContact CA-OG1 3.31Å; C294-T301 WeakPolarHBondContact CA-OG1 3.43Å; C294-T301 WeakPolarHBondContact CB-OG1 3.44Å; C294-T301 PolarHBondContact O-OG1 3.39Å; C294-T301 VanDerWaalsContact O-OG1 3.04Å; S297-T301 PolarHBondContact O-N 3.34Å; S297-T301 VanDerWaalsContact O-N 3.17Å; S297-T301 PolarHBondContact O-OG1 2.75Å; V298-T301 WeakPolarHBondContact O-CB 3.44Å; V298-T301 PolarHBondContact O-N 2.99Å; T301-L305 HydrophobicContact CG2-CD1 3.85Å; T301-L305 WeakPolarHBondContact O-CB 3.36Å; T301-L305 VanDerWaalsContact O-CD1 3.25Å; T301-L305 WeakPolarHBondContact O-CD1 3.24Å; T301-L305 WeakPolarHBondContact O-CG 3.48Å; T301-L305 PolarHBondContact O-N 2.74Å; T301-L338 HydrophobicContact CG2-CD2 4.31Å; T301-L341 HydrophobicContact CG2-CB 4.33Å
302H75.7Confident78.1Confident53 Ų5340.7 Ų40.725%0.24523%0.232CC..Hα-helixtrans-65.7-46.8176.8-165.7-91.9000112.2V298 S299 I300 L304 L305 T306V298-H302 WeakPolarHBondContact O-CB 3.43Å; V298-H302 PolarHBondContact O-N 3.07Å; S299-H302 PolarHBondContact O-N 3.45Å; I300-H302 VanDerWaalsContact C-N 3.32Å; I300-H302 PolarHBondContact O-N 2.99Å; H302-L304 PolarHBondContact O-N 3.48Å; H302-L305 PolarHBondContact O-N 3.36Å; H302-T306 VanDerWaalsContact CE1-CG2 3.44Å; H302-T306 WeakPolarHBondContact CE1-CG2 3.25Å; H302-T306 WeakPolarHBondContact O-CB 3.3Å; H302-T306 PolarHBondContact O-N 3.3Å; H302-T306 PolarHBondContact O-OG1 2.89Å
303K78.4Confident77.8Confident89 Ų8943 Ų4339%0.38724%0.24SC..Hα-helixtrans-58.4-45.9179.7-175.9-179.2177.7-176.40112.2A227 S299 I300 L305 T306 S307A227-K303 PolarHBondContact O-NZ 3.44Å; S299-K303 VanDerWaalsContact O-CB 3.3Å; S299-K303 WeakPolarHBondContact O-CB 3.38Å; S299-K303 PolarHBondContact O-N 3.29Å; I300-K303 PolarHBondContact O-N 2.98Å; K303-L305 VanDerWaalsContact C-N 3.26Å; K303-L305 PolarHBondContact O-N 3.21Å; K303-T306 WeakPolarHBondContact CA-OG1 3.15Å; K303-T306 PolarHBondContact O-N 3.45Å; K303-T306 PolarHBondContact O-OG1 3.25Å; K303-S307 WeakPolarHBondContact O-CB 3.41Å; K303-S307 PolarHBondContact O-N 2.91Å; K303-S307 PolarHBondContact O-OG 3.37Å
304L80.2Confident77.6Confident4 Ų443.5 Ų43.52%0.02124%0.242CC..Hα-helixtrans-71-19.1-179.1-171.664.4000113.4I232 L236 L290 I300 H302 S307 F311I232-L304 HydrophobicContact CG2-CD1 3.63Å; L236-L304 HydrophobicContact CD1-CD1 4.32Å; L290-L304 HydrophobicContact CD2-CD2 4.24Å; I300-L304 VanDerWaalsContact O-CB 3.26Å; I300-L304 WeakPolarHBondContact O-CB 3.38Å; I300-L304 PolarHBondContact O-N 3.47Å; H302-L304 PolarHBondContact O-N 3.48Å; L304-S307 PolarHBondContact O-OG 3.05Å; L304-F311 HydrophobicContact CD1-CB 4.22Å; L304-F311 HydrophobicContact CD1-CD1 4.28Å; L304-F311 HydrophobicContact CD1-CD2 4.05Å; L304-F311 HydrophobicContact CD1-CE2 4.45Å; L304-F311 HydrophobicContact CD1-CG 3.94Å; L304-F311 HydrophobicContact CD2-CD1 4.01Å; L304-F311 HydrophobicContact CD2-CD2 4.35Å; L304-F311 HydrophobicContact CD2-CE1 3.61Å; L304-F311 HydrophobicContact CD2-CE2 4.01Å; L304-F311 HydrophobicContact CD2-CG 4.34Å; L304-F311 HydrophobicContact CD2-CZ 3.61Å; L304-F311 HydrophobicContact CG-CB 4.33Å; L304-F311 HydrophobicContact CG-CD1 3.58Å; L304-F311 HydrophobicContact CG-CD2 4.14Å; L304-F311 HydrophobicContact CG-CE1 3.74Å; L304-F311 HydrophobicContact CG-CE2 4.3Å; L304-F311 HydrophobicContact CG-CG 3.76Å; L304-F311 HydrophobicContact CG-CZ 4.1Å; L304-F311 VanDerWaalsContact O-CB 3.24Å; L304-F311 WeakPolarHBondContact O-CB 3.3Å; L304-F311 WeakPolarHBondContact O-CD1 3.37Å
305L75.6Confident77.7Confident8 Ų843.3 Ų43.34%0.04224%0.241CC..Hα-helixtrans-100.1-21.9177.7-65.6170000113.2T301 H302 K303 F311 L342 A602 F606T301-L305 HydrophobicContact CG2-CD1 3.85Å; T301-L305 WeakPolarHBondContact O-CB 3.36Å; T301-L305 VanDerWaalsContact O-CD1 3.25Å; T301-L305 WeakPolarHBondContact O-CD1 3.24Å; T301-L305 WeakPolarHBondContact O-CG 3.48Å; T301-L305 PolarHBondContact O-N 2.74Å; H302-L305 PolarHBondContact O-N 3.36Å; K303-L305 VanDerWaalsContact C-N 3.26Å; K303-L305 PolarHBondContact O-N 3.21Å; L305-F311 HydrophobicContact CD2-CD1 4.01Å; L305-F311 HydrophobicContact CD2-CE1 4.26Å; L305-L342 HydrophobicContact CD1-CD1 3.88Å; L305-L342 HydrophobicContact CD1-CD2 3.7Å; L305-L342 HydrophobicContact CD1-CG 3.77Å; L305-A602 HydrophobicContact CB-CB 4.44Å; L305-F606 HydrophobicContact CD2-CB 4.31Å; L305-F606 HydrophobicContact CD2-CD1 4.5Å; L305-F606 HydrophobicContact CD2-CD2 3.22Å; L305-F606 HydrophobicContact CD2-CE2 3.48Å; L305-F606 VanDerWaalsContact CD2-CE2 3.48Å; L305-F606 HydrophobicContact CD2-CG 3.79Å; L305-F606 HydrophobicContact CD2-CZ 4.24Å
306T69.5Low77.6Confident53 Ų5340.7 Ų40.733%0.32522%0.224SC..Hα-helixtrans-85.5-17.217341.60000113.5H302 K303 D308 A602H302-T306 VanDerWaalsContact CE1-CG2 3.44Å; H302-T306 WeakPolarHBondContact CE1-CG2 3.25Å; H302-T306 WeakPolarHBondContact O-CB 3.3Å; H302-T306 PolarHBondContact O-N 3.3Å; H302-T306 PolarHBondContact O-OG1 2.89Å; K303-T306 WeakPolarHBondContact CA-OG1 3.15Å; K303-T306 PolarHBondContact O-N 3.45Å; K303-T306 PolarHBondContact O-OG1 3.25Å; T306-D308 VanDerWaalsContact C-N 3.32Å; T306-D308 PolarHBondContact O-N 2.87Å; T306-A602 HydrophobicContact CG2-CB 3.75Å
307S64.4Low77.5Confident46 Ų4639.9 Ų39.932%0.32222%0.219SC..SBendtrans-71.279.4179.456.90000112.8K303 L304 G309 Q310K303-S307 WeakPolarHBondContact O-CB 3.41Å; K303-S307 PolarHBondContact O-N 2.91Å; K303-S307 PolarHBondContact O-OG 3.37Å; L304-S307 PolarHBondContact O-OG 3.05Å; S307-G309 PolarHBondContact O-N 2.85Å; S307-Q310 PolarHBondContact O-N 3.22Å
308D60.1Low77.6Confident138 Ų13839.6 Ų39.674%0.73822%0.216SC*.THydrogen-bonded Turntrans50.419.5168.7-63.6-15.9000116.4T306 Q310T306-D308 VanDerWaalsContact C-N 3.32Å; T306-D308 PolarHBondContact O-N 2.87Å; D308-Q310 HydrophobicContact CB-CG 4.06Å; D308-Q310 PolarHBondContact O-N 2.99Å; D308-Q310 VanDerWaalsContact O-N 3.09Å
309G68.6Low78Confident7 Ų737.3 Ų37.37%0.07220%0.202CC..THydrogen-bonded Turntrans64.82.5-17100000114.8S307 F311 A312 M313 Q609S307-G309 PolarHBondContact O-N 2.85Å; G309-F311 PolarHBondContact O-N 3.3Å; G309-A312 PolarHBondContact O-N 3.44Å; G309-M313 PolarHBondContact O-N 3.22Å; G309-Q609 PolarHBondContact O-OE1 2.99Å
310Q76.2Confident78.1Confident114 Ų11440.6 Ų40.653%0.53321%0.209SC..Hα-helixtrans-58.9-33.6-177.1-65.7-175.228.400112.3S307 D308 T314S307-Q310 PolarHBondContact O-N 3.22Å; D308-Q310 HydrophobicContact CB-CG 4.06Å; D308-Q310 PolarHBondContact O-N 2.99Å; D308-Q310 VanDerWaalsContact O-N 3.09Å; Q310-T314 WeakPolarHBondContact O-CB 3.33Å; Q310-T314 PolarHBondContact O-N 3.47Å; Q310-T314 PolarHBondContact O-OG1 3.19Å
311F83.4Confident78.1Confident1 Ų146.8 Ų46.80%0.00423%0.233CC..Hα-helixtrans-66-48.6174178.8-130.1000112.2L236 L290 L304 L305 G309 M313 T314 L315 L334 L338L236-F311 HydrophobicContact CD1-CD2 4.48Å; L236-F311 HydrophobicContact CD2-CD2 3.59Å; L236-F311 HydrophobicContact CD2-CE2 3.94Å; L290-F311 HydrophobicContact CD1-CE2 4.02Å; L290-F311 HydrophobicContact CD1-CZ 4.5Å; L304-F311 HydrophobicContact CD1-CB 4.22Å; L304-F311 HydrophobicContact CD1-CD1 4.28Å; L304-F311 HydrophobicContact CD1-CD2 4.05Å; L304-F311 HydrophobicContact CD1-CE2 4.45Å; L304-F311 HydrophobicContact CD1-CG 3.94Å; L304-F311 HydrophobicContact CD2-CD1 4.01Å; L304-F311 HydrophobicContact CD2-CD2 4.35Å; L304-F311 HydrophobicContact CD2-CE1 3.61Å; L304-F311 HydrophobicContact CD2-CE2 4.01Å; L304-F311 HydrophobicContact CD2-CG 4.34Å; L304-F311 HydrophobicContact CD2-CZ 3.61Å; L304-F311 HydrophobicContact CG-CB 4.33Å; L304-F311 HydrophobicContact CG-CD1 3.58Å; L304-F311 HydrophobicContact CG-CD2 4.14Å; L304-F311 HydrophobicContact CG-CE1 3.74Å; L304-F311 HydrophobicContact CG-CE2 4.3Å; L304-F311 HydrophobicContact CG-CG 3.76Å; L304-F311 HydrophobicContact CG-CZ 4.1Å; L304-F311 VanDerWaalsContact O-CB 3.24Å; L304-F311 WeakPolarHBondContact O-CB 3.3Å; L304-F311 WeakPolarHBondContact O-CD1 3.37Å; L305-F311 HydrophobicContact CD2-CD1 4.01Å; L305-F311 HydrophobicContact CD2-CE1 4.26Å; G309-F311 PolarHBondContact O-N 3.3Å; F311-M313 VanDerWaalsContact C-N 3.32Å; F311-M313 PolarHBondContact O-N 3.33Å; F311-T314 WeakPolarHBondContact O-CB 3.45Å; F311-T314 PolarHBondContact O-N 3.44Å; F311-T314 VanDerWaalsContact O-N 3.1Å; F311-L315 HydrophobicContact CD2-CD2 4.33Å; F311-L315 HydrophobicContact CD2-CG 4.21Å; F311-L315 HydrophobicContact CE1-CD1 4.05Å; F311-L315 HydrophobicContact CE2-CD1 4.04Å; F311-L315 HydrophobicContact CE2-CD2 3.72Å; F311-L315 HydrophobicContact CE2-CG 3.91Å; F311-L315 HydrophobicContact CZ-CD1 3.77Å; F311-L315 HydrophobicContact CZ-CD2 4.18Å; F311-L315 HydrophobicContact CZ-CG 4.18Å; F311-L315 WeakPolarHBondContact O-CG 3.24Å; F311-L315 PolarHBondContact O-N 3.46Å; F311-L334 HydrophobicContact CZ-CD2 4.22Å; F311-L338 HydrophobicContact CE1-CD1 3.57Å; F311-L338 HydrophobicContact CE1-CD2 4.47Å; F311-L338 HydrophobicContact CZ-CD1 3.85Å
312A81.5Confident78Confident4 Ų447 Ų473%0.03324%0.235CC..Hα-helixtrans-60-43.6176.500000111.3G309 T314 L315 A316 F606 Q609G309-A312 PolarHBondContact O-N 3.44Å; A312-T314 VanDerWaalsContact C-N 3.32Å; A312-T314 PolarHBondContact O-N 3.33Å; A312-L315 PolarHBondContact O-N 2.86Å; A312-A316 VanDerWaalsContact O-CB 3.26Å; A312-A316 WeakPolarHBondContact O-CB 3.32Å; A312-A316 PolarHBondContact O-N 3.39Å; A312-F606 HydrophobicContact CB-CD2 3.89Å; A312-F606 HydrophobicContact CB-CE2 4.4Å; A312-Q609 HydrophobicContact CB-CB 4.48Å
313M80.5Confident77.9Confident94 Ų9451.3 Ų51.346%0.46327%0.265SS..Hα-helixtrans-62.5-35.2173.8-167.95960.100112.9G309 F311 A316 M317G309-M313 PolarHBondContact O-N 3.22Å; F311-M313 VanDerWaalsContact C-N 3.32Å; F311-M313 PolarHBondContact O-N 3.33Å; M313-A316 WeakPolarHBondContact O-CB 3.31Å; M313-M317 WeakPolarHBondContact O-CB 3.36Å; M313-M317 WeakPolarHBondContact O-CG 3.47Å; M313-M317 PolarHBondContact O-N 2.93Å
314T83Confident78.1Confident11 Ų1149 Ų497%0.06726%0.257CS..Hα-helixtrans-67.8-46.8175-64.70000111.4L236 L239 R240 Q310 F311 A312 A316 M317 V318L236-T314 HydrophobicContact CD2-CG2 4.49Å; L239-T314 HydrophobicContact CD2-CG2 4.1Å; L239-T314 HydrophobicContact CG-CG2 4.36Å; R240-T314 HydrophobicContact CG-CG2 3.72Å; Q310-T314 WeakPolarHBondContact O-CB 3.33Å; Q310-T314 PolarHBondContact O-N 3.47Å; Q310-T314 PolarHBondContact O-OG1 3.19Å; F311-T314 WeakPolarHBondContact O-CB 3.45Å; F311-T314 PolarHBondContact O-N 3.44Å; F311-T314 VanDerWaalsContact O-N 3.1Å; A312-T314 VanDerWaalsContact C-N 3.32Å; A312-T314 PolarHBondContact O-N 3.33Å; T314-A316 VanDerWaalsContact C-N 3.33Å; T314-A316 PolarHBondContact O-N 3.42Å; T314-M317 PolarHBondContact O-N 3.39Å; T314-V318 WeakPolarHBondContact O-CG2 3.46Å; T314-V318 PolarHBondContact O-N 3.04Å
315L86Confident78.2Confident0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-61.8-42.7176-60.1-172.5000111.1L239 F311 A312 V319 V331 L334 I335 L338 F606L239-L315 HydrophobicContact CD2-CD2 4Å; F311-L315 HydrophobicContact CD2-CD2 4.33Å; F311-L315 HydrophobicContact CD2-CG 4.21Å; F311-L315 HydrophobicContact CE1-CD1 4.05Å; F311-L315 HydrophobicContact CE2-CD1 4.04Å; F311-L315 HydrophobicContact CE2-CD2 3.72Å; F311-L315 HydrophobicContact CE2-CG 3.91Å; F311-L315 HydrophobicContact CZ-CD1 3.77Å; F311-L315 HydrophobicContact CZ-CD2 4.18Å; F311-L315 HydrophobicContact CZ-CG 4.18Å; F311-L315 WeakPolarHBondContact O-CG 3.24Å; F311-L315 PolarHBondContact O-N 3.46Å; A312-L315 PolarHBondContact O-N 2.86Å; L315-V319 WeakPolarHBondContact O-CB 3.45Å; L315-V319 VanDerWaalsContact O-CG2 3.3Å; L315-V319 WeakPolarHBondContact O-CG2 3.48Å; L315-V319 PolarHBondContact O-N 3.44Å; L315-V331 HydrophobicContact CB-CG1 3.84Å; L315-V331 HydrophobicContact CD2-CG1 3.97Å; L315-V331 HydrophobicContact CG-CG1 4.32Å; L315-L334 HydrophobicContact CD1-CD2 4.48Å; L315-L334 HydrophobicContact CD2-CD2 4Å; L315-I335 HydrophobicContact CB-CD1 4.42Å; L315-I335 HydrophobicContact CD1-CD1 4.35Å; L315-I335 HydrophobicContact CD1-CG1 3.75Å; L315-L338 HydrophobicContact CD1-CD1 4.31Å; L315-F606 HydrophobicContact CD1-CE2 4.39Å
316A82.7Confident78.6Confident6 Ų656.3 Ų56.35%0.0529%0.293CS..Hα-helixtrans-56.8-51.9173.500000112.6A312 M313 T314 V318 V319 Q320 L610 L613A312-A316 VanDerWaalsContact O-CB 3.26Å; A312-A316 WeakPolarHBondContact O-CB 3.32Å; A312-A316 PolarHBondContact O-N 3.39Å; M313-A316 WeakPolarHBondContact O-CB 3.31Å; T314-A316 VanDerWaalsContact C-N 3.33Å; T314-A316 PolarHBondContact O-N 3.42Å; A316-V318 PolarHBondContact O-N 2.95Å; A316-V319 PolarHBondContact O-N 3.41Å; A316-Q320 WeakPolarHBondContact O-CB 3.43Å; A316-Q320 PolarHBondContact O-N 3.39Å; A316-L610 HydrophobicContact CB-CD2 4.23Å; A316-L613 HydrophobicContact CB-CD1 3.3Å
317M82Confident79.4Confident52 Ų5253.8 Ų53.826%0.25628%0.277SS..Hα-helixtrans-65.6-37.6-178.5-77.1-125.5-81.900113V245 M313 T314 R321V245-M317 HydrophobicContact CG1-CB 3.75Å; V245-M317 HydrophobicContact CG1-CE 3.57Å; V245-M317 HydrophobicContact CG1-CG 4.48Å; V245-M317 HydrophobicContact CG1-SD 4.06Å; V245-M317 HydrophobicContact CG2-CB 4.12Å; M313-M317 WeakPolarHBondContact O-CB 3.36Å; M313-M317 WeakPolarHBondContact O-CG 3.47Å; M313-M317 PolarHBondContact O-N 2.93Å; T314-M317 PolarHBondContact O-N 3.39Å; M317-R321 VanDerWaalsContact O-CB 3.3Å; M317-R321 WeakPolarHBondContact O-CB 3.37Å; M317-R321 WeakPolarHBondContact O-CG 3.44Å; M317-R321 PolarHBondContact O-N 2.87Å
318V84.6Confident80.5Confident0 Ų052 Ų520%027%0.265CS..Hα-helixtrans-62.5-50.7173173.50000109.9L239 V245 T314 A316 Q320 R321 S322 V327 V331L239-V318 HydrophobicContact CD1-CG2 4.48Å; L239-V318 HydrophobicContact CG-CG2 4.21Å; V245-V318 HydrophobicContact CG2-CB 4.27Å; V245-V318 HydrophobicContact CG2-CG2 3.64Å; T314-V318 WeakPolarHBondContact O-CG2 3.46Å; T314-V318 PolarHBondContact O-N 3.04Å; A316-V318 PolarHBondContact O-N 2.95Å; V318-Q320 VanDerWaalsContact C-N 3.29Å; V318-Q320 PolarHBondContact O-N 3.12Å; V318-R321 PolarHBondContact O-N 3.32Å; V318-S322 VanDerWaalsContact O-CB 3.31Å; V318-S322 WeakPolarHBondContact O-CB 3.29Å; V318-S322 PolarHBondContact O-N 3.29Å; V318-S322 PolarHBondContact O-OG 3.17Å; V318-V327 HydrophobicContact CG1-CG1 3.77Å; V318-V331 HydrophobicContact CG1-CG2 3.96Å
319V85.2Confident81.7Confident16 Ų1647.8 Ų47.810%0.09724%0.242CC..Hα-helixtrans-61.2-34.5-179.7165.50000113L315 A316 V328 V331 L617L315-V319 WeakPolarHBondContact O-CB 3.45Å; L315-V319 VanDerWaalsContact O-CG2 3.3Å; L315-V319 WeakPolarHBondContact O-CG2 3.48Å; L315-V319 PolarHBondContact O-N 3.44Å; A316-V319 PolarHBondContact O-N 3.41Å; V319-V328 HydrophobicContact CG1-CG1 4.43Å; V319-V331 HydrophobicContact CG2-CB 3.71Å; V319-V331 HydrophobicContact CG2-CG1 3.45Å; V319-V331 VanDerWaalsContact CG2-CG1 3.45Å; V319-V331 HydrophobicContact CG2-CG2 4.49Å; V319-L617 HydrophobicContact CG1-CD1 4.24Å; V319-L617 HydrophobicContact CG1-CD2 3.41Å; V319-L617 VanDerWaalsContact CG1-CD2 3.41Å; V319-L617 HydrophobicContact CG1-CG 4.41Å
320Q80.7Confident82.6Confident144 Ų14448.1 Ų48.167%0.67324%0.243SC*.Hα-helixtrans-82.5-22.4179.5-166.317714.900113.7A316 V318A316-Q320 WeakPolarHBondContact O-CB 3.43Å; A316-Q320 PolarHBondContact O-N 3.39Å; V318-Q320 VanDerWaalsContact C-N 3.29Å; V318-Q320 PolarHBondContact O-N 3.12Å
321R79.8Confident83.2Confident135 Ų13542.7 Ų42.751%0.50922%0.218SC..Hα-helixtrans-103.5-23.9-177.8-67.6-177.7179-178.32.4114.3V245 M317 V318 T323V245-R321 PolarHBondContact O-NH1 3.01Å; M317-R321 VanDerWaalsContact O-CB 3.3Å; M317-R321 WeakPolarHBondContact O-CB 3.37Å; M317-R321 WeakPolarHBondContact O-CG 3.44Å; M317-R321 PolarHBondContact O-N 2.87Å; V318-R321 PolarHBondContact O-N 3.32Å; R321-T323 PolarHBondContact O-N 3.41Å
322S79.9Confident83.5Confident13 Ų1342.6 Ų42.69%0.09122%0.217CC..  trans-77.9121-178.965.80000112.2V318 D324 V327 V328V318-S322 VanDerWaalsContact O-CB 3.31Å; V318-S322 WeakPolarHBondContact O-CB 3.29Å; V318-S322 PolarHBondContact O-N 3.29Å; V318-S322 PolarHBondContact O-OG 3.17Å; S322-D324 VanDerWaalsContact C-N 3.29Å; S322-V327 VanDerWaalsContact CB-CG1 3.45Å; S322-V327 WeakPolarHBondContact OG-CG1 3.48Å; S322-V328 VanDerWaalsContact OG-CG2 3.23Å; S322-V328 WeakPolarHBondContact OG-CG2 3.46Å
323T73.9Confident83.8Confident143 Ų14348.7 Ų48.788%0.87724%0.239SC*.  trans-81-6.5171.855.10000113.7R321R321-T323 PolarHBondContact O-N 3.41Å
324D82Confident84.2Confident41 Ų4144.3 Ų44.322%0.21922%0.218CC..  trans-89116.6179.6-177.4-5.3000111.2P280 S322 L326 V327 V328P280-D324 WeakPolarHBondContact CB-OD2 3.47Å; S322-D324 VanDerWaalsContact C-N 3.29Å; D324-L326 PolarHBondContact O-N 3.31Å; D324-L326 WeakPolarHBondContact OD1-CB 3.43Å; D324-L326 PolarHBondContact OD1-N 3.08Å; D324-V327 HydrophobicContact CB-CB 4.11Å; D324-V327 HydrophobicContact CB-CG2 3.82Å; D324-V327 WeakPolarHBondContact O-CB 3.37Å; D324-V327 PolarHBondContact O-N 2.97Å; D324-V327 VanDerWaalsContact O-N 3.1Å; D324-V328 PolarHBondContact O-N 3.31Å; D324-V328 VanDerWaalsContact O-N 3.09Å
325E83.2Confident84.4Confident65 Ų6543.9 Ų43.930%0.30422%0.215SC..Hα-helixtrans-56.1-32.7176.5177.9167.8-150.400112.8L329 T622 S624 V625E325-L329 HydrophobicContact CG-CD1 3.78Å; E325-L329 HydrophobicContact CG-CG 4.28Å; E325-L329 VanDerWaalsContact O-CB 3.31Å; E325-L329 WeakPolarHBondContact O-CB 3.23Å; E325-L329 WeakPolarHBondContact O-CG 3.4Å; E325-L329 PolarHBondContact O-N 3.38Å; E325-T622 VanDerWaalsContact CD-OG1 3.26Å; E325-T622 WeakPolarHBondContact OE1-CB 3.48Å; E325-T622 PolarHBondContact OE1-OG1 3.17Å; E325-S624 WeakPolarHBondContact OE1-CB 3.42Å; E325-S624 PolarHBondContact OE1-OG 2.86Å; E325-V625 HydrophobicContact CG-CG2 4.03Å
326L84.5Confident84.4Confident99 Ų9946.5 Ų46.552%0.51823%0.227SC..Hα-helixtrans-70.2-38.5177.6-59178.1000111.8H284 D324 S330H284-L326 PolarHBondContact CE1-O 2.99Å; H284-L326 VanDerWaalsContact CE1-O 3.3Å; D324-L326 PolarHBondContact O-N 3.31Å; D324-L326 WeakPolarHBondContact OD1-CB 3.43Å; D324-L326 PolarHBondContact OD1-N 3.08Å; L326-S330 WeakPolarHBondContact O-CB 3.28Å; L326-S330 PolarHBondContact O-N 2.69Å
327V85.4Confident84.6Confident0 Ų048 Ų480%024%0.236CC..Hα-helixtrans-62.2-52.8174.1172.40000109.5P280 V283 V318 S322 D324 L329 S330 V331P280-V327 HydrophobicContact CB-CG2 3.86Å; V283-V327 HydrophobicContact CB-CG1 4.49Å; V283-V327 HydrophobicContact CG1-CG1 4.1Å; V283-V327 HydrophobicContact CG2-CG1 4.31Å; V318-V327 HydrophobicContact CG1-CG1 3.77Å; S322-V327 VanDerWaalsContact CB-CG1 3.45Å; S322-V327 WeakPolarHBondContact OG-CG1 3.48Å; D324-V327 HydrophobicContact CB-CB 4.11Å; D324-V327 HydrophobicContact CB-CG2 3.82Å; D324-V327 WeakPolarHBondContact O-CB 3.37Å; D324-V327 PolarHBondContact O-N 2.97Å; D324-V327 VanDerWaalsContact O-N 3.1Å; V327-L329 PolarHBondContact O-N 2.6Å; V327-S330 PolarHBondContact O-N 3.26Å; V327-S330 PolarHBondContact O-OG 3.38Å; V327-V331 PolarHBondContact O-N 2.88Å
328V86.3Confident84.7Confident10 Ų1045.6 Ų45.66%0.06122%0.224CC..Hα-helixtrans-55.6-54.4178.11770000110.9V319 S322 D324 S330 V331 L332 L617 V625V319-V328 HydrophobicContact CG1-CG1 4.43Å; S322-V328 VanDerWaalsContact OG-CG2 3.23Å; S322-V328 WeakPolarHBondContact OG-CG2 3.46Å; D324-V328 PolarHBondContact O-N 3.31Å; D324-V328 VanDerWaalsContact O-N 3.09Å; V328-S330 PolarHBondContact O-N 3.07Å; V328-V331 PolarHBondContact O-N 3.41Å; V328-V331 VanDerWaalsContact O-N 3.12Å; V328-L332 HydrophobicContact CG1-CD1 3.82Å; V328-L332 HydrophobicContact CG1-CG 4.06Å; V328-L332 WeakPolarHBondContact O-CG 3.37Å; V328-L332 PolarHBondContact O-N 2.87Å; V328-L617 HydrophobicContact CG1-CD2 4.23Å; V328-V625 HydrophobicContact CB-CG2 4.39Å; V328-V625 HydrophobicContact CG1-CG1 3.86Å; V328-V625 HydrophobicContact CG1-CG2 3.93Å
329L87.3Confident84.5Confident49 Ų4945.9 Ų45.926%0.25723%0.226SC..Hα-helixtrans-60.2-31.3-179-72172000113E325 V327 R333 V625 Q628E325-L329 HydrophobicContact CG-CD1 3.78Å; E325-L329 HydrophobicContact CG-CG 4.28Å; E325-L329 VanDerWaalsContact O-CB 3.31Å; E325-L329 WeakPolarHBondContact O-CB 3.23Å; E325-L329 WeakPolarHBondContact O-CG 3.4Å; E325-L329 PolarHBondContact O-N 3.38Å; V327-L329 PolarHBondContact O-N 2.6Å; L329-R333 WeakPolarHBondContact O-CB 3.29Å; L329-R333 PolarHBondContact O-N 2.83Å; L329-V625 HydrophobicContact CD2-CG2 4Å; L329-V625 HydrophobicContact CG-CG2 4.05Å; L329-Q628 HydrophobicContact CD2-CB 4.09Å
330S85.9Confident84.3Confident13 Ų1346.9 Ų46.99%0.09123%0.232CC..Hα-helixtrans-68.3-40.6175.978.80000113.1H284 L326 V327 V328 R333 L334H284-S330 WeakPolarHBondContact ND1-CB 3.36Å; L326-S330 WeakPolarHBondContact O-CB 3.28Å; L326-S330 PolarHBondContact O-N 2.69Å; V327-S330 PolarHBondContact O-N 3.26Å; V327-S330 PolarHBondContact O-OG 3.38Å; V328-S330 PolarHBondContact O-N 3.07Å; S330-R333 PolarHBondContact O-N 3.37Å; S330-L334 PolarHBondContact O-N 2.91Å; S330-L334 VanDerWaalsContact O-N 3.09Å
331V88.8Confident84.3Confident0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-72.5-41.5176.9175.90000110.5V283 T287 L315 V318 V319 V327 V328 R333 L334 I335V283-V331 HydrophobicContact CG1-CG2 4.33Å; T287-V331 HydrophobicContact CG2-CG2 4.14Å; L315-V331 HydrophobicContact CB-CG1 3.84Å; L315-V331 HydrophobicContact CD2-CG1 3.97Å; L315-V331 HydrophobicContact CG-CG1 4.32Å; V318-V331 HydrophobicContact CG1-CG2 3.96Å; V319-V331 HydrophobicContact CG2-CB 3.71Å; V319-V331 HydrophobicContact CG2-CG1 3.45Å; V319-V331 VanDerWaalsContact CG2-CG1 3.45Å; V319-V331 HydrophobicContact CG2-CG2 4.49Å; V327-V331 PolarHBondContact O-N 2.88Å; V328-V331 PolarHBondContact O-N 3.41Å; V328-V331 VanDerWaalsContact O-N 3.12Å; V331-R333 PolarHBondContact O-N 3.42Å; V331-L334 WeakPolarHBondContact O-CB 3.43Å; V331-L334 PolarHBondContact O-N 3.35Å; V331-L334 VanDerWaalsContact O-N 3.12Å; V331-I335 HydrophobicContact CG1-CD1 3.97Å; V331-I335 HydrophobicContact CG1-CG1 4.45Å; V331-I335 WeakPolarHBondContact O-CG1 3.41Å; V331-I335 PolarHBondContact O-N 3.33Å
332L89.4Confident83.9Confident0 Ų035.4 Ų35.40%019%0.185CC..Hα-helixtrans-59.5-34.4173.5-66.1-174.2000112.4V328 I335 E336 L614 L617 V625 Q628 L632V328-L332 HydrophobicContact CG1-CD1 3.82Å; V328-L332 HydrophobicContact CG1-CG 4.06Å; V328-L332 WeakPolarHBondContact O-CG 3.37Å; V328-L332 PolarHBondContact O-N 2.87Å; L332-I335 HydrophobicContact CD2-CD1 4.42Å; L332-E336 PolarHBondContact O-N 2.93Å; L332-L614 HydrophobicContact CD2-CD2 3.4Å; L332-L617 HydrophobicContact CD1-CD2 4.49Å; L332-L617 HydrophobicContact CD2-CD2 4.4Å; L332-V625 HydrophobicContact CD1-CG1 4.04Å; L332-Q628 HydrophobicContact CB-CG 3.72Å; L332-Q628 HydrophobicContact CD1-CB 4.11Å; L332-Q628 HydrophobicContact CD1-CG 3.98Å; L332-L632 HydrophobicContact CB-CD1 3.88Å; L332-L632 HydrophobicContact CD2-CD1 3.73Å; L332-L632 HydrophobicContact CG-CD1 4.27Å
333R88.2Confident83.5Confident131 Ų13136.6 Ų36.649%0.49419%0.189SC..Hα-helixtrans-70.8-38.8173.5-174.4177.9178-173-1.8112.8L329 S330 V331 E336 V337L329-R333 WeakPolarHBondContact O-CB 3.29Å; L329-R333 PolarHBondContact O-N 2.83Å; S330-R333 PolarHBondContact O-N 3.37Å; V331-R333 PolarHBondContact O-N 3.42Å; R333-E336 WeakPolarHBondContact O-CB 3.24Å; R333-E336 PolarHBondContact O-N 3.22Å; R333-V337 WeakPolarHBondContact O-CG2 3.38Å; R333-V337 PolarHBondContact O-N 2.93Å
334L89Confident83.2Confident2 Ų231.4 Ų31.41%0.0116%0.155CC..Hα-helixtrans-62-45.3172.817260.5000110.8T287 L290 T291 F311 L315 S330 V331 E336 V337 L338T287-L334 HydrophobicContact CG2-CD2 4.02Å; L290-L334 HydrophobicContact CB-CD1 4.3Å; L290-L334 HydrophobicContact CB-CD2 4.32Å; L290-L334 HydrophobicContact CD1-CD2 4.24Å; T291-L334 WeakPolarHBondContact OG1-CD1 3.37Å; F311-L334 HydrophobicContact CZ-CD2 4.22Å; L315-L334 HydrophobicContact CD1-CD2 4.48Å; L315-L334 HydrophobicContact CD2-CD2 4Å; S330-L334 PolarHBondContact O-N 2.91Å; S330-L334 VanDerWaalsContact O-N 3.09Å; V331-L334 WeakPolarHBondContact O-CB 3.43Å; V331-L334 PolarHBondContact O-N 3.35Å; V331-L334 VanDerWaalsContact O-N 3.12Å; L334-E336 VanDerWaalsContact C-N 3.31Å; L334-E336 PolarHBondContact O-N 2.95Å; L334-V337 PolarHBondContact O-N 2.96Å; L334-L338 HydrophobicContact CD1-CD1 3.93Å; L334-L338 HydrophobicContact CD1-CG 4.13Å; L334-L338 HydrophobicContact CG-CD1 3.87Å; L334-L338 VanDerWaalsContact O-CG 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.27Å; L334-L338 PolarHBondContact O-N 2.83Å
335I88Confident82.1Confident2 Ų230.9 Ų30.91%0.0115%0.153CC..Hα-helixtrans-58.9-42.5174.5-65.5165.7000110.8L315 V331 L332 V337 L338 L339 F606 L610 L632L315-I335 HydrophobicContact CB-CD1 4.42Å; L315-I335 HydrophobicContact CD1-CD1 4.35Å; L315-I335 HydrophobicContact CD1-CG1 3.75Å; V331-I335 HydrophobicContact CG1-CD1 3.97Å; V331-I335 HydrophobicContact CG1-CG1 4.45Å; V331-I335 WeakPolarHBondContact O-CG1 3.41Å; V331-I335 PolarHBondContact O-N 3.33Å; L332-I335 HydrophobicContact CD2-CD1 4.42Å; I335-V337 VanDerWaalsContact C-N 3.33Å; I335-V337 PolarHBondContact O-N 3.27Å; I335-L338 PolarHBondContact O-N 3.26Å; I335-L339 HydrophobicContact CG2-CD1 3.87Å; I335-L339 HydrophobicContact CG2-CG 4.3Å; I335-L339 VanDerWaalsContact O-CG 3.29Å; I335-L339 WeakPolarHBondContact O-CG 3.39Å; I335-L339 PolarHBondContact O-N 3.26Å; I335-F606 HydrophobicContact CG1-CZ 4.47Å; I335-F606 HydrophobicContact CG2-CE1 4.33Å; I335-F606 HydrophobicContact CG2-CZ 4.33Å; I335-L610 HydrophobicContact CD1-CD1 4.12Å; I335-L610 HydrophobicContact CD1-CD2 4.29Å; I335-L610 HydrophobicContact CG1-CD1 4.18Å; I335-L610 HydrophobicContact CG2-CD1 4.16Å; I335-L632 HydrophobicContact CG2-CD2 4.1Å
336E86.2Confident80.8Confident55 Ų5529.5 Ų29.526%0.25715%0.146SC..Hα-helixtrans-57.6-44.6177.7-167-173.3159.800112.3L332 R333 L334 V340 Q628 L632 R635L332-E336 PolarHBondContact O-N 2.93Å; R333-E336 WeakPolarHBondContact O-CB 3.24Å; R333-E336 PolarHBondContact O-N 3.22Å; L334-E336 VanDerWaalsContact C-N 3.31Å; L334-E336 PolarHBondContact O-N 2.95Å; E336-V340 WeakPolarHBondContact O-CG2 3.41Å; E336-V340 PolarHBondContact O-N 2.95Å; E336-Q628 PolarHBondContact OE2-NE2 3.03Å; E336-L632 HydrophobicContact CB-CD2 3.71Å; E336-L632 HydrophobicContact CG-CD2 4.13Å; E336-R635 VanDerWaalsContact CD-NH1 3.33Å; E336-R635 IonicContact OE1-CZ 2.7Å; E336-R635 IonicContact OE1-NH1 3.73Å; E336-R635 PolarHBondContact OE1-NH1 3.04Å; E336-R635 IonicContact OE1-NH2 3.37Å
337V86.3Confident79Confident38 Ų3826.6 Ų26.623%0.2313%0.131CC..Hα-helixtrans-68.5-45.1179.6174.80000111.3T291 C295 R333 L334 I335 L339 V340 L341T291-V337 HydrophobicContact CG2-CG1 4.19Å; T291-V337 HydrophobicContact CG2-CG2 4.36Å; C295-V337 WeakPolarHBondContact SG-CG1 3.24Å; R333-V337 WeakPolarHBondContact O-CG2 3.38Å; R333-V337 PolarHBondContact O-N 2.93Å; L334-V337 PolarHBondContact O-N 2.96Å; I335-V337 VanDerWaalsContact C-N 3.33Å; I335-V337 PolarHBondContact O-N 3.27Å; V337-L339 VanDerWaalsContact C-N 3.34Å; V337-L339 PolarHBondContact O-N 3.36Å; V337-V340 PolarHBondContact O-N 3.36Å; V337-V340 VanDerWaalsContact O-N 3.12Å; V337-L341 HydrophobicContact CG1-CD1 3.95Å; V337-L341 HydrophobicContact CG1-CG 4.3Å; V337-L341 WeakPolarHBondContact O-CG 3.45Å; V337-L341 PolarHBondContact O-N 3.48Å
338L84.6Confident77.2Confident1 Ų128 Ų281%0.00514%0.14CC..Hα-helixtrans-59-43.2178.6-70.7164.3000112.2C294 T301 F311 L315 L334 I335 V340 L341 L342 F606C294-L338 HydrophobicContact CB-CD2 4.11Å; T301-L338 HydrophobicContact CG2-CD2 4.31Å; F311-L338 HydrophobicContact CE1-CD1 3.57Å; F311-L338 HydrophobicContact CE1-CD2 4.47Å; F311-L338 HydrophobicContact CZ-CD1 3.85Å; L315-L338 HydrophobicContact CD1-CD1 4.31Å; L334-L338 HydrophobicContact CD1-CD1 3.93Å; L334-L338 HydrophobicContact CD1-CG 4.13Å; L334-L338 HydrophobicContact CG-CD1 3.87Å; L334-L338 VanDerWaalsContact O-CG 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.27Å; L334-L338 PolarHBondContact O-N 2.83Å; I335-L338 PolarHBondContact O-N 3.26Å; L338-V340 VanDerWaalsContact C-N 3.29Å; L338-V340 PolarHBondContact O-N 3.31Å; L338-L341 PolarHBondContact O-N 3.37Å; L338-L342 WeakPolarHBondContact O-CB 3.44Å; L338-L342 WeakPolarHBondContact O-CG 3.28Å; L338-L342 PolarHBondContact O-N 3.43Å; L338-F606 HydrophobicContact CB-CE1 4.42Å; L338-F606 HydrophobicContact CB-CZ 4.13Å; L338-F606 HydrophobicContact CD1-CE2 4.33Å; L338-F606 HydrophobicContact CD1-CZ 3.95Å
339L81Confident75Confident7 Ų732.3 Ų32.34%0.03716%0.159CC..Hα-helixtrans-61.6-36.1176-71.8169000112.8I335 V337 H343 F606 V607 L632 M636I335-L339 HydrophobicContact CG2-CD1 3.87Å; I335-L339 HydrophobicContact CG2-CG 4.3Å; I335-L339 VanDerWaalsContact O-CG 3.29Å; I335-L339 WeakPolarHBondContact O-CG 3.39Å; I335-L339 PolarHBondContact O-N 3.26Å; V337-L339 VanDerWaalsContact C-N 3.34Å; V337-L339 PolarHBondContact O-N 3.36Å; L339-H343 PolarHBondContact O-N 3.34Å; L339-F606 HydrophobicContact CD2-CD1 4.09Å; L339-F606 HydrophobicContact CD2-CE1 3.92Å; L339-F606 HydrophobicContact CG-CE1 4.14Å; L339-V607 HydrophobicContact CD2-CG2 4.3Å; L339-L632 HydrophobicContact CD1-CD2 3.92Å; L339-M636 HydrophobicContact CD1-CG 3.44Å; L339-M636 VanDerWaalsContact CD1-CG 3.44Å; L339-M636 HydrophobicContact CD1-SD 4.11Å; L339-M636 HydrophobicContact CD2-CE 4.44Å; L339-M636 HydrophobicContact CD2-CG 3.85Å; L339-M636 HydrophobicContact CG-CG 4.3Å
340V81Confident72.5Confident36 Ų3635 Ų3522%0.21817%0.174CC..Hα-helixtrans-69.8-47.4175.5170.40000110.7E336 V337 L338 L342 H343 Q344E336-V340 WeakPolarHBondContact O-CG2 3.41Å; E336-V340 PolarHBondContact O-N 2.95Å; V337-V340 PolarHBondContact O-N 3.36Å; V337-V340 VanDerWaalsContact O-N 3.12Å; L338-V340 VanDerWaalsContact C-N 3.29Å; L338-V340 PolarHBondContact O-N 3.31Å; V340-L342 VanDerWaalsContact C-N 3.34Å; V340-L342 PolarHBondContact O-N 3.19Å; V340-H343 PolarHBondContact O-N 3.31Å; V340-Q344 HydrophobicContact CG1-CG 4.42Å; V340-Q344 VanDerWaalsContact CG1-NE2 3.33Å; V340-Q344 WeakPolarHBondContact O-CG 3.19Å; V340-Q344 PolarHBondContact O-N 3.4Å
341L79Confident69.9Low28 Ų2838.5 Ų38.515%0.14719%0.187CC..Hα-helixtrans-60.5-40.9178.6-66.5171.3000112.4C294 T301 V337 L338 H343 Q344 T345C294-L341 HydrophobicContact CB-CD1 3.88Å; T301-L341 HydrophobicContact CG2-CB 4.33Å; V337-L341 HydrophobicContact CG1-CD1 3.95Å; V337-L341 HydrophobicContact CG1-CG 4.3Å; V337-L341 WeakPolarHBondContact O-CG 3.45Å; V337-L341 PolarHBondContact O-N 3.48Å; L338-L341 PolarHBondContact O-N 3.37Å; L341-H343 PolarHBondContact O-N 2.81Å; L341-Q344 PolarHBondContact O-N 2.99Å; L341-T345 WeakPolarHBondContact O-CG2 3.21Å; L341-T345 PolarHBondContact O-N 3.39Å; L341-T345 PolarHBondContact O-OG1 3Å
342L73.2Confident67.2Low11 Ų1140.4 Ų40.46%0.05820%0.201CC..Hα-helixtrans-58.5-43.6174.3-85.2172.6000112.8L305 L338 V340 T345 Q346 Q603 F606L305-L342 HydrophobicContact CD1-CD1 3.88Å; L305-L342 HydrophobicContact CD1-CD2 3.7Å; L305-L342 HydrophobicContact CD1-CG 3.77Å; L338-L342 WeakPolarHBondContact O-CB 3.44Å; L338-L342 WeakPolarHBondContact O-CG 3.28Å; L338-L342 PolarHBondContact O-N 3.43Å; V340-L342 VanDerWaalsContact C-N 3.34Å; V340-L342 PolarHBondContact O-N 3.19Å; L342-T345 PolarHBondContact O-OG1 3.46Å; L342-Q346 WeakPolarHBondContact O-CG 3.4Å; L342-Q346 PolarHBondContact O-N 3.25Å; L342-Q603 HydrophobicContact CD1-CG 4.36Å; L342-Q603 HydrophobicContact CD2-CB 4.45Å; L342-F606 HydrophobicContact CD1-CD1 4.14Å
343H71.4Confident64.4Low37 Ų3748.2 Ų48.217%0.17123%0.23CC..Hα-helixtrans-74.3-36.4-179.7-175.353.5000112.5L339 V340 L341 T345 Q346 N347 Y639L339-H343 PolarHBondContact O-N 3.34Å; V340-H343 PolarHBondContact O-N 3.31Å; L341-H343 PolarHBondContact O-N 2.81Å; H343-T345 PolarHBondContact O-N 3.27Å; H343-Q346 PolarHBondContact O-N 3.27Å; H343-N347 PolarHBondContact CD2-ND2 3.1Å; H343-N347 PolarHBondContact CE1-ND2 3.35Å; H343-N347 PolarHBondContact CE1-OD1 3.13Å; H343-N347 PolarHBondContact NE2-ND2 3.05Å; H343-N347 PolarHBondContact O-N 2.73Å; H343-N347 PolarHBondContact O-ND2 3.46Å; H343-Y639 HydrophobicContact CB-CD1 4.13Å; H343-Y639 HydrophobicContact CB-CD2 3.78Å; H343-Y639 HydrophobicContact CB-CE1 4.28Å; H343-Y639 HydrophobicContact CB-CE2 3.91Å; H343-Y639 HydrophobicContact CB-CG 3.91Å; H343-Y639 AromaticContact CD2-CD1 3.37Å; H343-Y639 WeakPolarHBondContact CD2-CD1 3.46Å; H343-Y639 AromaticContact CD2-CE1 3.14Å; H343-Y639 WeakPolarHBondContact CD2-CE1 3.39Å; H343-Y639 AromaticContact CD2-CZ 3.64Å; H343-Y639 AromaticContact CE1-CD1 3.8Å; H343-Y639 AromaticContact CG-CD1 3.44Å; H343-Y639 VanDerWaalsContact CG-CD1 3.44Å; H343-Y639 AromaticContact CG-CE1 3.65Å; H343-Y639 AromaticContact CG-CG 3.67Å; H343-Y639 AromaticContact ND1-CD1 3.71Å; H343-Y639 AromaticContact ND1-CG 3.97Å; H343-Y639 AromaticContact NE2-CD1 3.6Å; H343-Y639 AromaticContact NE2-CE1 3.59Å
344Q67.8Low61.7Low35 Ų3548.4 Ų48.416%0.16424%0.236CC..Hα-helixtrans-59.1-46.4176.7-70.5-168.630.200112V340 L341 Q346 N347 V348 I395V340-Q344 HydrophobicContact CG1-CG 4.42Å; V340-Q344 VanDerWaalsContact CG1-NE2 3.33Å; V340-Q344 WeakPolarHBondContact O-CG 3.19Å; V340-Q344 PolarHBondContact O-N 3.4Å; L341-Q344 PolarHBondContact O-N 2.99Å; Q344-Q346 PolarHBondContact O-N 2.86Å; Q344-N347 PolarHBondContact O-N 2.62Å; Q344-V348 WeakPolarHBondContact O-CG2 3.35Å; Q344-V348 PolarHBondContact O-N 3.46Å; Q344-I395 WeakPolarHBondContact CG-O 3.49Å
345T58.7Low59.1Low30 Ų3050.1 Ų50.118%0.18425%0.249CC..Hα-helixtrans-65.5-36.1-176.847.70000112.9V298 L341 L342 H343 V348 Q349V298-T345 HydrophobicContact CB-CG2 4.22Å; V298-T345 HydrophobicContact CG1-CG2 3.57Å; V298-T345 HydrophobicContact CG2-CG2 3.6Å; L341-T345 WeakPolarHBondContact O-CG2 3.21Å; L341-T345 PolarHBondContact O-N 3.39Å; L341-T345 PolarHBondContact O-OG1 3Å; L342-T345 PolarHBondContact O-OG1 3.46Å; H343-T345 PolarHBondContact O-N 3.27Å; T345-V348 PolarHBondContact O-N 3.13Å; T345-Q349 PolarHBondContact O-N 2.98Å
346Q55.6Low56.8Low35 Ų3552.8 Ų52.816%0.16427%0.267CS..Hα-helixtrans-64-40.2172.9-70175.6-23.100112.6L342 H343 Q344 V348 Q349 L350L342-Q346 WeakPolarHBondContact O-CG 3.4Å; L342-Q346 PolarHBondContact O-N 3.25Å; H343-Q346 PolarHBondContact O-N 3.27Å; Q344-Q346 PolarHBondContact O-N 2.86Å; Q346-V348 VanDerWaalsContact C-N 3.28Å; Q346-V348 PolarHBondContact O-N 3.05Å; Q346-Q349 PolarHBondContact O-N 2.8Å; Q346-L350 WeakPolarHBondContact O-CG 3.48Å; Q346-L350 PolarHBondContact O-N 3.2Å; Q346-L350 VanDerWaalsContact O-N 3.1Å
347N46Very low54.5Low38 Ų3855.6 Ų55.620%0.20328%0.281CS..Hα-helixtrans-67.2-26.7177.9-66.9-28.8000113H343 Q344 K351 S396H343-N347 PolarHBondContact CD2-ND2 3.1Å; H343-N347 PolarHBondContact CE1-ND2 3.35Å; H343-N347 PolarHBondContact CE1-OD1 3.13Å; H343-N347 PolarHBondContact NE2-ND2 3.05Å; H343-N347 PolarHBondContact O-N 2.73Å; H343-N347 PolarHBondContact O-ND2 3.46Å; Q344-N347 PolarHBondContact O-N 2.62Å; N347-K351 WeakPolarHBondContact O-CD 3.47Å; N347-K351 WeakPolarHBondContact O-CG 3.26Å; N347-S396 PolarHBondContact ND2-OG 3.38Å
348V48.7Very low52Low30 Ų3058.6 Ų58.618%0.18230%0.299CS..Hα-helixtrans-66.5-54169.7-169.40000110Q344 T345 Q346 L350 K351 S352 I397 I398Q344-V348 WeakPolarHBondContact O-CG2 3.35Å; Q344-V348 PolarHBondContact O-N 3.46Å; T345-V348 PolarHBondContact O-N 3.13Å; Q346-V348 VanDerWaalsContact C-N 3.28Å; Q346-V348 PolarHBondContact O-N 3.05Å; V348-L350 VanDerWaalsContact C-N 3.32Å; V348-L350 PolarHBondContact O-N 3.26Å; V348-K351 PolarHBondContact O-N 3.28Å; V348-S352 PolarHBondContact O-N 3.22Å; V348-S352 PolarHBondContact O-OG 3.34Å; V348-I397 HydrophobicContact CB-CG2 4.4Å; V348-I397 HydrophobicContact CG1-CG2 3.99Å; V348-I397 HydrophobicContact CG2-CB 3.84Å; V348-I397 HydrophobicContact CG2-CD1 3.61Å; V348-I397 HydrophobicContact CG2-CG1 4.33Å; V348-I397 HydrophobicContact CG2-CG2 3.62Å; V348-I398 HydrophobicContact CG1-CD1 3.88Å; V348-I398 HydrophobicContact CG1-CG1 4.19Å; V348-I398 WeakPolarHBondContact O-CD1 3.26Å
349Q38.6Very low49.5Very low100 Ų10065.4 Ų65.447%0.46733%0.329SS..Hα-helixtrans-67.1-29.8-170.5-70.1-178.9-10.500113.6T345 Q346 S352 R353T345-Q349 PolarHBondContact O-N 2.98Å; Q346-Q349 PolarHBondContact O-N 2.8Å; Q349-S352 WeakPolarHBondContact CA-OG 3.35Å; Q349-S352 PolarHBondContact O-OG 2.98Å; Q349-R353 WeakPolarHBondContact O-CB 3.49Å; Q349-R353 PolarHBondContact O-N 3.06Å
350L34.5Very low47.1Very low107 Ų10773 Ų7356%0.5636%0.364SS*.Hα-helixtrans-66.9-54.6173.9-71.7168.1000111.5Q346 V348 S352 R353 E354Q346-L350 WeakPolarHBondContact O-CG 3.48Å; Q346-L350 PolarHBondContact O-N 3.2Å; Q346-L350 VanDerWaalsContact O-N 3.1Å; V348-L350 VanDerWaalsContact C-N 3.32Å; V348-L350 PolarHBondContact O-N 3.26Å; L350-S352 VanDerWaalsContact C-N 3.33Å; L350-S352 PolarHBondContact O-N 3.02Å; L350-R353 PolarHBondContact O-N 3.32Å; L350-E354 WeakPolarHBondContact O-CG 3.38Å; L350-E354 PolarHBondContact O-N 2.99Å
351K32.6Very low44.6Very low86 Ų8679.8 Ų79.837%0.37439%0.394SS..Hα-helixtrans-60.9-37178-68.9173.2-173.9172.30112.7N347 V348 S355 S396 I397 I398N347-K351 WeakPolarHBondContact O-CD 3.47Å; N347-K351 WeakPolarHBondContact O-CG 3.26Å; V348-K351 PolarHBondContact O-N 3.28Å; K351-S355 PolarHBondContact O-N 3.21Å; K351-S355 PolarHBondContact O-OG 3Å; K351-S396 PolarHBondContact NZ-O 3.28Å; K351-I397 PolarHBondContact NZ-O 2.72Å; K351-I398 HydrophobicContact CB-CD1 3.34Å; K351-I398 HydrophobicContact CD-CB 4.12Å; K351-I398 HydrophobicContact CD-CD1 3.9Å; K351-I398 HydrophobicContact CD-CG2 4.47Å; K351-I398 HydrophobicContact CG-CD1 4.29Å
352S31Very low42.2Very low40 Ų4084.2 Ų84.228%0.2842%0.421SS..Hα-helixtrans-75.3-29.4177.667.90000112.8V348 Q349 L350 S355 S356V348-S352 PolarHBondContact O-N 3.22Å; V348-S352 PolarHBondContact O-OG 3.34Å; Q349-S352 WeakPolarHBondContact CA-OG 3.35Å; Q349-S352 PolarHBondContact O-OG 2.98Å; L350-S352 VanDerWaalsContact C-N 3.33Å; L350-S352 PolarHBondContact O-N 3.02Å; S352-S355 WeakPolarHBondContact CA-OG 3.32Å; S352-S355 PolarHBondContact O-N 2.9Å; S352-S355 PolarHBondContact O-OG 3.16Å; S352-S356 VanDerWaalsContact O-CB 3.26Å; S352-S356 WeakPolarHBondContact O-CB 3.33Å; S352-S356 PolarHBondContact O-N 2.86Å; S352-S356 PolarHBondContact O-OG 3.43Å
353R30.8Very low39.9Very low164 Ų16489.3 Ų89.362%0.61946%0.457SS*.Hα-helixtrans-70.2-40.3171-177.1165.4169.2163.1-7.6111.7Q349 L350 S356 Q357Q349-R353 WeakPolarHBondContact O-CB 3.49Å; Q349-R353 PolarHBondContact O-N 3.06Å; L350-R353 PolarHBondContact O-N 3.32Å; R353-S356 PolarHBondContact O-N 3.1Å; R353-Q357 HydrophobicContact CG-CG 4.33Å; R353-Q357 WeakPolarHBondContact O-CB 3.42Å; R353-Q357 WeakPolarHBondContact O-CG 3.42Å; R353-Q357 PolarHBondContact O-N 2.77Å
354E31.9Very low37.8Very low134 Ų13497 Ų9763%0.62649%0.49SS*.Hα-helixtrans-60.4-42170.9-72175.1165.800112L350 T358L350-E354 WeakPolarHBondContact O-CG 3.38Å; L350-E354 PolarHBondContact O-N 2.99Å; E354-T358 WeakPolarHBondContact O-CG2 3.26Å; E354-T358 PolarHBondContact O-N 2.89Å; E354-T358 PolarHBondContact O-OG1 3.36Å
355S35.4Very low35.8Very low39 Ų39101.4 Ų101.427%0.27352%0.519SS..Hα-helixtrans-79.7-12.4178.774.70000115.1K351 S352 T358 K359K351-S355 PolarHBondContact O-N 3.21Å; K351-S355 PolarHBondContact O-OG 3Å; S352-S355 WeakPolarHBondContact CA-OG 3.32Å; S352-S355 PolarHBondContact O-N 2.9Å; S352-S355 PolarHBondContact O-OG 3.16Å; S355-T358 WeakPolarHBondContact CA-OG1 3.26Å; S355-T358 PolarHBondContact O-OG1 3.33Å; S355-K359 WeakPolarHBondContact O-CD 3.22Å; S355-K359 WeakPolarHBondContact O-CG 3.3Å
356S38.6Very low34.3Very low57 Ų57105.7 Ų105.740%0.39955%0.545SS..Hα-helixtrans-94.7-44.5175.1-57.90000112S352 R353 T358 K359 E360S352-S356 VanDerWaalsContact O-CB 3.26Å; S352-S356 WeakPolarHBondContact O-CB 3.33Å; S352-S356 PolarHBondContact O-N 2.86Å; S352-S356 PolarHBondContact O-OG 3.43Å; R353-S356 PolarHBondContact O-N 3.1Å; S356-T358 PolarHBondContact O-N 2.81Å; S356-K359 PolarHBondContact O-N 3.44Å; S356-E360 PolarHBondContact O-N 3.45Å
357Q38.2Very low32.9Very low114 Ų114111.8 Ų111.853%0.53358%0.578SS.*Hα-helixtrans-64.2-26.6176.4-68.9-172.1-39.500112.3R353 K359R353-Q357 HydrophobicContact CG-CG 4.33Å; R353-Q357 WeakPolarHBondContact O-CB 3.42Å; R353-Q357 WeakPolarHBondContact O-CG 3.42Å; R353-Q357 PolarHBondContact O-N 2.77Å; Q357-K359 VanDerWaalsContact C-N 3.33Å
358T34Very low32Very low101 Ų101114.4 Ų114.462%0.6260%0.597SS**Hα-helixtrans-76.9-11.8170.5470000114.6E354 S355 S356E354-T358 WeakPolarHBondContact O-CG2 3.26Å; E354-T358 PolarHBondContact O-N 2.89Å; E354-T358 PolarHBondContact O-OG1 3.36Å; S355-T358 WeakPolarHBondContact CA-OG1 3.26Å; S355-T358 PolarHBondContact O-OG1 3.33Å; S356-T358 PolarHBondContact O-N 2.81Å
359K32.5Very low30.9Very low144 Ų144121.6 Ų121.663%0.62663%0.629SS**Hα-helixtrans-99.7-37.9176.8-72.9176.7-176.8175.40113.3S355 S356 Q357 Q361S355-K359 WeakPolarHBondContact O-CD 3.22Å; S355-K359 WeakPolarHBondContact O-CG 3.3Å; S356-K359 PolarHBondContact O-N 3.44Å; Q357-K359 VanDerWaalsContact C-N 3.33Å; K359-Q361 VanDerWaalsContact C-N 3.33Å; K359-Q361 PolarHBondContact O-N 2.92Å
360E29.6Very low30.4Very low168 Ų168122.2 Ų122.279%0.78565%0.645SS**Hα-helixtrans-74.3-19.4-175.5-68.3-170118.600114.3S356S356-E360 PolarHBondContact O-N 3.45Å
361Q28.9Very low30.3Very low178 Ų178121 Ų12183%0.83265%0.65SS**THydrogen-bonded Turntrans-94.4-0.4-175.8-146.1168.714.300114.9K359K359-Q361 VanDerWaalsContact C-N 3.33Å; K359-Q361 PolarHBondContact O-N 2.92Å
362V28.7Very low30.2Very low120 Ų120123.7 Ų123.773%0.72767%0.668SS**  trans-122.858.2-175.4-164.60000112.1
363C23.5Very low30.2Very low119 Ų119125.9 Ų125.980%0.80468%0.677SS**  trans-140.958.6174-115.20000113.2
364K27.5Very low30.2Very low198 Ų198125.4 Ų125.486%0.86169%0.687SS**SBendtrans-154.9124.5162.9-107.8152.3-170.9170.50112.3
365T27Very low30.3Very low127 Ų127124.8 Ų124.878%0.77969%0.687SS**  trans55.980.1159.145.50000119.9
366T26.8Very low30.3Very low121 Ų121126.1 Ų126.174%0.74270%0.696SS**  33.3130.5122.747.60000123
367L26.3Very low30.1Very low162 Ų162132.8 Ų132.885%0.84872%0.717SS**  trans86.7149.2141.6-68.7167.7000118.7
368P27Very low29.9Very low94 Ų94135.4 Ų135.461%0.6173%0.73SS**  -139.9-161.7-126.444.7-25.6000116
369E24.9Very low30Very low180 Ų180136.7 Ų136.784%0.84173%0.733SS**  trans72.6133.4164.5-71.1167.7-161.900116.1
370S28.7Very low30.1Very low114 Ų114136.6 Ų136.680%0.79774%0.735SS**  cis-168.3179.418.146.70000112.7
371A32.6Very low30.1Very low82 Ų82135.3 Ų135.368%0.67873%0.731SS**  trans85.499.4159.100000121.4
372N29.8Very low30.2Very low141 Ų141133.8 Ų133.875%0.75472%0.723SS**  37.6149.3119.2-57.153000121.1
373D30.7Very low30.4Very low87 Ų87131.9 Ų131.947%0.46572%0.715SS.*  cis-169.8149.6-13.2-102.2-41.3000107.2S576D373-S576 PolarHBondContact OD1-OG 3.41Å
374D32.4Very low30.7Very low154 Ų154133.4 Ų133.482%0.82471%0.711SS**  trans166.2-17.7142.9-101.1-27.9000114.9S376D374-S376 PolarHBondContact O-N 3.11Å
375I33Very low30.6Very low121 Ų121129.8 Ų129.862%0.62170%0.7SS**  trans-95.980.1-171.3-49.5-179.6000112
376S35Very low30.6Very low67 Ų67133 Ų13347%0.46970%0.703SS.*  trans-152.46.3174.1-77.80000117.7D374D374-S376 PolarHBondContact O-N 3.11Å
377K35.9Very low30.6Very low196 Ų196136.1 Ų136.185%0.85271%0.707SS**SBendtrans-99.1-10179.9-80.3179.9178.81680116.5
378Q32.9Very low30.6Very low169 Ų169133.2 Ų133.279%0.7970%0.7SS**SBendtrans-100.9-42.6-176.6-137.3158.3-17.800112.5Q380 M381Q378-Q380 PolarHBondContact O-N 3.17Å; Q378-Q380 VanDerWaalsContact O-N 3.09Å; Q378-M381 PolarHBondContact O-N 2.82Å
379N36.2Very low30.6Very low128 Ų128135.5 Ų135.568%0.68471%0.707SS**Hα-helixtrans-70.7-5.4-177.5-68.64000114.9S383N379-S383 PolarHBondContact O-OG 2.94Å
380Q35.4Very low30.6Very low142 Ų142135.9 Ų135.966%0.66471%0.709SS**Hα-helixtrans-91.1-6.3-179.6-134.7174.934.500114.1Q378 S383Q378-Q380 PolarHBondContact O-N 3.17Å; Q378-Q380 VanDerWaalsContact O-N 3.09Å; Q380-S383 PolarHBondContact O-OG 2.89Å
381M28.9Very low30.4Very low142 Ų142139 Ų13970%0.771%0.709SS**Hα-helixtrans-93.3-41.4177.9-111.4177.3-72.600113.3Q378 S383 Q384Q378-M381 PolarHBondContact O-N 2.82Å; M381-S383 VanDerWaalsContact C-N 3.28Å; M381-S383 PolarHBondContact O-N 3.3Å; M381-Q384 PolarHBondContact O-N 3.34Å
382Q32Very low30.3Very low146 Ų146143.1 Ų143.168%0.68271%0.714SS**Hα-helixtrans-66.5-29.8176.2-75-178.8-18.600112.5Q384 L385Q382-Q384 PolarHBondContact O-N 3.14Å; Q382-L385 PolarHBondContact O-N 2.67Å
383S31.4Very low29.9Very low80 Ų80140.2 Ų140.256%0.55970%0.701SS**THydrogen-bonded Turntrans-74-0.7179.660.10000115.4N379 Q380 M381N379-S383 PolarHBondContact O-OG 2.94Å; Q380-S383 PolarHBondContact O-OG 2.89Å; M381-S383 VanDerWaalsContact C-N 3.28Å; M381-S383 PolarHBondContact O-N 3.3Å
384Q30.5Very low29.8Very low151 Ų151139.6 Ų139.671%0.70670%0.704SS**THydrogen-bonded Turntrans-105.4-14.3172.2-64.6-1621.200113.8M381 Q382 F386M381-Q384 PolarHBondContact O-N 3.34Å; Q382-Q384 PolarHBondContact O-N 3.14Å; Q384-F386 PolarHBondContact O-N 2.71Å
385L24.9Very low29.4Very low122 Ų122137.2 Ų137.264%0.63969%0.69SS**THydrogen-bonded Turntrans-80.9-8.2-176.8-94.4159.1000114.9Q382Q382-L385 PolarHBondContact O-N 2.67Å
386F27.4Very low29Very low193 Ų193132.3 Ų132.385%0.84667%0.666SS**THydrogen-bonded Turntrans-91.17.4176.9-97.2-86.6000115Q384 S388Q384-F386 PolarHBondContact O-N 2.71Å; F386-S388 VanDerWaalsContact C-N 3.35Å; F386-S388 PolarHBondContact O-N 2.9Å
387K27.7Very low28.6Very low187 Ų187132.9 Ų132.981%0.81366%0.663SS**  trans-88.318.5-176.4-80.4-164.6170.2-170.10116
388S25.5Very low28.2Very low101 Ų101126.6 Ų126.671%0.70664%0.638SS**  trans-128.360.6-177.560.80000112.8F386F386-S388 VanDerWaalsContact C-N 3.35Å; F386-S388 PolarHBondContact O-N 2.9Å
389N26Very low27.8Very low142 Ų142121.9 Ų121.976%0.75962%0.616SS**  trans-155.142.8172.3-130.4-13.7000113.6F391N389-F391 PolarHBondContact O-N 3.48Å
390E25.4Very low27.3Very low189 Ų189120.9 Ų120.988%0.88361%0.607SS**  trans-73.568.6179.3-67.9-170.1150.100112.8
391F25.9Very low26.8Very low180 Ų180118.8 Ų118.879%0.78961%0.614SS**  trans-141.236168.9-113.3-80.3000112.5N389N389-F391 PolarHBondContact O-N 3.48Å
392Q29.1Very low26.6Very low167 Ų167118 Ų11878%0.7861%0.609SS**  trans-90.7112.2174.6-82.7-174.4-3100112.6S394Q392-S394 PolarHBondContact O-N 3.49Å
393T22.8Very low26.2Very low80 Ų80118.4 Ų118.449%0.49162%0.615SS.*  trans-74.794.5169.1-49.20000110.3
394S28Very low25.9Very low74 Ų74119.5 Ų119.552%0.51762%0.623SS.*  trans-150.9101.7178.754.10000113.6Q392Q392-S394 PolarHBondContact O-N 3.49Å
395I23.8Very low25.6Very low105 Ų105120.4 Ų120.454%0.53863%0.627SS.*  trans-67.9128.2147.8-62.6169.8000106.3Q344Q344-I395 WeakPolarHBondContact CG-O 3.49Å
396S24.1Very low25.6Very low18 Ų18120.9 Ų120.913%0.12663%0.631CS.*  trans168.4103.9141.737.30000115.4N347 K351N347-S396 PolarHBondContact ND2-OG 3.38Å; K351-S396 PolarHBondContact NZ-O 3.28Å
397I27.6Very low25.4Very low79 Ų79118.2 Ų118.241%0.40563%0.63SS.*  68163.4124.7-55.7156.4000118.7V348 K351 E399V348-I397 HydrophobicContact CB-CG2 4.4Å; V348-I397 HydrophobicContact CG1-CG2 3.99Å; V348-I397 HydrophobicContact CG2-CB 3.84Å; V348-I397 HydrophobicContact CG2-CD1 3.61Å; V348-I397 HydrophobicContact CG2-CG1 4.33Å; V348-I397 HydrophobicContact CG2-CG2 3.62Å; K351-I397 PolarHBondContact NZ-O 2.72Å; I397-E399 VanDerWaalsContact CG2-OE2 3.25Å; I397-E399 WeakPolarHBondContact CG2-OE2 3.4Å
398I27.9Very low25.2Very low64 Ų64114.5 Ų114.533%0.32863%0.628SS.*  trans85.7121.3-177.3-76.4162.6000115.2V348 K351V348-I398 HydrophobicContact CG1-CD1 3.88Å; V348-I398 HydrophobicContact CG1-CG1 4.19Å; V348-I398 WeakPolarHBondContact O-CD1 3.26Å; K351-I398 HydrophobicContact CB-CD1 3.34Å; K351-I398 HydrophobicContact CD-CB 4.12Å; K351-I398 HydrophobicContact CD-CD1 3.9Å; K351-I398 HydrophobicContact CD-CG2 4.47Å; K351-I398 HydrophobicContact CG-CD1 4.29Å
399E23.1Very low25.2Very low69 Ų69118.1 Ų118.132%0.32263%0.634SS.*  cis129.6153.44.8-87.4162.476.900108.3I397 S423I397-E399 VanDerWaalsContact CG2-OE2 3.25Å; I397-E399 WeakPolarHBondContact CG2-OE2 3.4Å; E399-S423 VanDerWaalsContact OE1-CB 3.27Å; E399-S423 WeakPolarHBondContact OE1-CB 3.35Å
400H25.9Very low25.1Very low108 Ų108116.3 Ų116.350%0.563%0.632SS.*  trans63.5106.5172-46.6-53.4000119
401A26.2Very low25Very low97 Ų97115.5 Ų115.580%0.80263%0.628SS**  trans-129.545.2156.500000113.1
402E23.8Very low25Very low127 Ų127114.1 Ų114.159%0.59362%0.624SS**  trans-98.183.2-176.6-72.9177125.300114.6H422 R1363E402-H422 VanDerWaalsContact CG-CD2 3.5Å; E402-H422 WeakPolarHBondContact CG-CD2 3.35Å; E402-H422 IonicContact OE1-CD2 2.93Å; E402-H422 IonicContact OE1-NE2 3.42Å; E402-H422 IonicContact OE2-CD2 2.66Å; E402-H422 PolarHBondContact OE2-CD2 2.91Å; E402-R1363 IonicContact OE1-NH1 3.15Å; E402-R1363 IonicContact OE2-NH1 2.59Å
403N23.8Very low24.7Very low152.5 Ų152.5111.4 Ų111.482%0.81662%0.619SS**  trans-23.188.1165.5-77.1-18.1000115.9
404S24.9Very low24.8Very low104.5 Ų104.5115.3 Ų115.373%0.73164%0.635SS**  trans-167.1100.6131.4-1300000112.8
405Q24.6Very low24.5Very low169 Ų169120.3 Ų120.379%0.7965%0.65SS**  trans-20.2137.9152-66.4-170.514.600113.1
406N23.3Very low24.6Very low132.5 Ų132.5121.8 Ų121.871%0.70966%0.664SS**  142.1120.186.2-83.8-20.8000114.4
407T23.4Very low25.1Very low136.5 Ų136.5126.5 Ų126.584%0.83769%0.694SS**  trans129.8126.1135.637.10000115
408S23.9Very low25Very low109 Ų109131 Ų13176%0.76272%0.719SS**  -132.7134.4-101.549.10000107.9
409Q25.3Very low24.7Very low178 Ų178136.6 Ų136.683%0.83274%0.743SS**  -155.6151.299.5-63.4-178.8-26.700107.9
410S25.5Very low24.9Very low102.5 Ų102.5138.7 Ų138.772%0.71777%0.766SS**  114.8135.389.650.90000113.7
411E23Very low25Very low173.5 Ų173.5142.6 Ų142.681%0.81178%0.784SS**  cis128.2139.847.9-93.4170.9-164.400112.1
412H25.3Very low25.1Very low151 Ų151144.9 Ų144.970%0.69978%0.778SS**  140.8123.883.9-119.4-77.5000116.8
413T22.2Very low25.4Very low109.5 Ų109.5142.3 Ų142.367%0.67277%0.774SS**  trans57.1115.8145.342.70000122.4
414I25.5Very low25.9Very low162.5 Ų162.5145.1 Ų145.183%0.83377%0.773SS**  121.7137.972.9-77.3157.8000114.3
415E22.4Very low26.5Very low178.5 Ų178.5147.1 Ų147.183%0.83477%0.771SS**  trans-110.9153171.9-70.9171166.600114.3
416T24.8Very low27.7Very low135.5 Ų135.5140.7 Ų140.783%0.83175%0.75SS**  trans-116157.1152.431.20000116
417P35.5Very low29.6Very low116.5 Ų116.5138 Ų13876%0.75674%0.736SS**  trans-98.9153.9-168.337.3-32.9000115.5
418L25.3Very low32Very low175 Ų175132.8 Ų132.892%0.91671%0.706SS**  trans156.3130.2168-85.6151.8000113.2
419E21.8Very low34.7Very low181.5 Ų181.5130 Ų13085%0.84868%0.684SS**  trans-13.6139.8177.3-68.4177.8135.600117.3
420S27.5Very low37.6Very low112.5 Ų112.5122.3 Ų122.379%0.78765%0.648SS**  trans77.772156.371.30000120.2
421Q26.4Very low40.5Very low191 Ų191123.4 Ų123.489%0.89364%0.637SS**  trans-142.8111.1149.3-73-166.9-20.500110.8S423Q421-S423 PolarHBondContact O-N 3.25Å; Q421-S423 VanDerWaalsContact O-N 3.12Å
422H29.5Very low43.6Very low144.5 Ų144.5120.8 Ų120.867%0.66963%0.625SS**  trans-117.792.2179-99.6-73.3000112.6E402E402-H422 VanDerWaalsContact CG-CD2 3.5Å; E402-H422 WeakPolarHBondContact CG-CD2 3.35Å; E402-H422 IonicContact OE1-CD2 2.93Å; E402-H422 IonicContact OE1-NE2 3.42Å; E402-H422 IonicContact OE2-CD2 2.66Å; E402-H422 PolarHBondContact OE2-CD2 2.91Å
423S29.5Very low46.6Very low72.5 Ų72.5113.6 Ų113.651%0.50759%0.591SS.*  trans-121.3-123.3166.9128.50000113.1E399 Q421 E425E399-S423 VanDerWaalsContact OE1-CB 3.27Å; E399-S423 WeakPolarHBondContact OE1-CB 3.35Å; Q421-S423 PolarHBondContact O-N 3.25Å; Q421-S423 VanDerWaalsContact O-N 3.12Å; S423-E425 PolarHBondContact O-N 3.1Å
424W35Very low49.9Very low211.5 Ų211.5109.1 Ų109.180%0.80156%0.563SS**THydrogen-bonded Turntrans-68.9-0.3-164.6-62.180.6000116.7V298 G426V298-W424 HydrophobicContact CG2-CH2 4.11Å; W424-G426 VanDerWaalsContact C-N 3.32Å
425E36.1Very low52.9Low146 Ų146104.7 Ų104.768%0.68254%0.539SS*.Hα-helixtrans-73.1-27.8-177.3-157.4122.6-155.100113S423 D427 A428 V429S423-E425 PolarHBondContact O-N 3.1Å; E425-D427 PolarHBondContact O-N 3.14Å; E425-A428 WeakPolarHBondContact O-CB 3.39Å; E425-A428 PolarHBondContact O-N 3.22Å; E425-V429 PolarHBondContact O-N 2.95Å
426G49.9Very low56.2Low34 Ų3496.6 Ų96.635%0.35150%0.502SS..Hα-helixtrans-60.6-43.7-176.900000113.6W424 A428 V429 H430W424-G426 VanDerWaalsContact C-N 3.32Å; G426-A428 VanDerWaalsContact C-N 3.28Å; G426-A428 PolarHBondContact O-N 3.42Å; G426-V429 PolarHBondContact O-N 3.12Å; G426-H430 PolarHBondContact O-N 2.93Å; G426-H430 PolarHBondContact O-ND1 3.18Å
427D63.3Low59.4Low77 Ų7790.1 Ų90.141%0.41246%0.462SS..Hα-helixtrans-67.7-27.2180-81.1-13000112.6E425 R431 Y458E425-D427 PolarHBondContact O-N 3.14Å; D427-R431 VanDerWaalsContact O-CB 3.29Å; D427-R431 WeakPolarHBondContact O-CB 3.42Å; D427-R431 VanDerWaalsContact O-CG 3.25Å; D427-R431 WeakPolarHBondContact O-CG 3.39Å; D427-R431 PolarHBondContact O-N 3.25Å; D427-R431 PolarHBondContact O-NE 2.94Å; D427-R431 VanDerWaalsContact O-NE 3.09Å; D427-Y458 WeakPolarHBondContact OD1-CE2 3.21Å; D427-Y458 PolarHBondContact OD1-OH 3.02Å
428A73.8Confident62Low26 Ų2689.1 Ų89.122%0.21545%0.446CS..Hα-helixtrans-65.5-44.7175.300000110.9E425 G426 H430 R431 H432E425-A428 WeakPolarHBondContact O-CB 3.39Å; E425-A428 PolarHBondContact O-N 3.22Å; G426-A428 VanDerWaalsContact C-N 3.28Å; G426-A428 PolarHBondContact O-N 3.42Å; A428-H430 PolarHBondContact O-N 3.45Å; A428-R431 WeakPolarHBondContact O-CB 3.43Å; A428-R431 PolarHBondContact O-N 3.32Å; A428-H432 PolarHBondContact O-N 3.28Å; A428-H432 PolarHBondContact O-ND1 3.42Å
429V81.5Confident65Low50 Ų5089.3 Ų89.330%0.30344%0.435SS..Hα-helixtrans-62.1-46179.5-177.80000111.2E425 G426 R431 H432 F433 K453 I454E425-V429 PolarHBondContact O-N 2.95Å; G426-V429 PolarHBondContact O-N 3.12Å; V429-R431 VanDerWaalsContact C-N 3.33Å; V429-R431 PolarHBondContact O-N 3.41Å; V429-H432 PolarHBondContact O-N 3.44Å; V429-F433 PolarHBondContact O-N 3.37Å; V429-K453 HydrophobicContact CG1-CB 4.44Å; V429-I454 HydrophobicContact CG1-CD1 4.38Å; V429-I454 HydrophobicContact CG1-CG1 3.82Å
430H86Confident68.2Low17 Ų1785.2 Ų85.28%0.07942%0.415CS..Hα-helixtrans-66.3-36.7178.4-63.293.1000112.1G426 A428 F433 I434 D455 Y458G426-H430 PolarHBondContact O-N 2.93Å; G426-H430 PolarHBondContact O-ND1 3.18Å; A428-H430 PolarHBondContact O-N 3.45Å; H430-F433 WeakPolarHBondContact O-CB 3.48Å; H430-F433 PolarHBondContact O-N 2.77Å; H430-I434 WeakPolarHBondContact O-CG1 3.34Å; H430-I434 PolarHBondContact O-N 3.1Å; H430-D455 PolarHBondContact NE2-N 3.07Å; H430-Y458 HydrophobicContact CB-CD1 3.77Å; H430-Y458 HydrophobicContact CB-CD2 4Å; H430-Y458 HydrophobicContact CB-CE1 3.65Å; H430-Y458 HydrophobicContact CB-CE2 3.87Å; H430-Y458 HydrophobicContact CB-CG 3.94Å; H430-Y458 VanDerWaalsContact CD2-CB 3.49Å; H430-Y458 WeakPolarHBondContact CD2-CB 3.49Å; H430-Y458 AromaticContact CD2-CD1 3.84Å; H430-Y458 AromaticContact CD2-CD2 3.61Å; H430-Y458 AromaticContact CD2-CG 3.37Å; H430-Y458 VanDerWaalsContact CD2-CG 3.41Å; H430-Y458 AromaticContact CE1-CD2 3.9Å; H430-Y458 AromaticContact CG-CD1 3.81Å; H430-Y458 AromaticContact CG-CD2 3.49Å; H430-Y458 VanDerWaalsContact CG-CD2 3.42Å; H430-Y458 AromaticContact CG-CE2 3.77Å; H430-Y458 AromaticContact CG-CG 3.58Å; H430-Y458 AromaticContact ND1-CD2 3.73Å; H430-Y458 AromaticContact ND1-CE2 3.92Å; H430-Y458 AromaticContact NE2-CD2 3.95Å; H430-Y458 AromaticContact NE2-CG 3.91Å
431R87Confident71.2Confident125 Ų12582.8 Ų82.847%0.47239%0.394SS..Hα-helixtrans-62.3-43.1173.1-122.6-179.8-67.6117.3-1.8112.5D427 A428 V429 F433 I434 E435D427-R431 VanDerWaalsContact O-CB 3.29Å; D427-R431 WeakPolarHBondContact O-CB 3.42Å; D427-R431 VanDerWaalsContact O-CG 3.25Å; D427-R431 WeakPolarHBondContact O-CG 3.39Å; D427-R431 PolarHBondContact O-N 3.25Å; D427-R431 PolarHBondContact O-NE 2.94Å; D427-R431 VanDerWaalsContact O-NE 3.09Å; A428-R431 WeakPolarHBondContact O-CB 3.43Å; A428-R431 PolarHBondContact O-N 3.32Å; V429-R431 VanDerWaalsContact C-N 3.33Å; V429-R431 PolarHBondContact O-N 3.41Å; R431-F433 VanDerWaalsContact C-N 3.29Å; R431-F433 PolarHBondContact O-N 3.14Å; R431-I434 PolarHBondContact O-N 3.02Å; R431-E435 WeakPolarHBondContact O-CB 3.3Å; R431-E435 PolarHBondContact O-N 3.35Å
432H86.3Confident74.3Confident120 Ų12075.8 Ų75.856%0.55636%0.362SS*.Hα-helixtrans-63.7-36174.2-72.892.3000112A428 V429 E435 A436A428-H432 PolarHBondContact O-N 3.28Å; A428-H432 PolarHBondContact O-ND1 3.42Å; V429-H432 PolarHBondContact O-N 3.44Å; H432-E435 PolarHBondContact O-N 3.24Å; H432-A436 PolarHBondContact O-N 3.3Å
433F89.8Confident77.1Confident0.5 Ų0.573.5 Ų73.50%0.00236%0.355CS..Hα-helixtrans-69-40.5176.1-166.2-94.5000112.6V429 H430 R431 E435 A436 I437 F444 M445 L449 I454 L466 L482V429-F433 PolarHBondContact O-N 3.37Å; H430-F433 WeakPolarHBondContact O-CB 3.48Å; H430-F433 PolarHBondContact O-N 2.77Å; R431-F433 VanDerWaalsContact C-N 3.29Å; R431-F433 PolarHBondContact O-N 3.14Å; F433-E435 VanDerWaalsContact C-N 3.31Å; F433-E435 PolarHBondContact O-N 3.24Å; F433-A436 WeakPolarHBondContact O-CB 3.47Å; F433-A436 PolarHBondContact O-N 3.12Å; F433-I437 HydrophobicContact CD1-CD1 3.92Å; F433-I437 HydrophobicContact CD1-CG1 4.39Å; F433-I437 HydrophobicContact CE1-CD1 3.87Å; F433-I437 HydrophobicContact CE1-CG1 4.32Å; F433-I437 WeakPolarHBondContact O-CG1 3.48Å; F433-I437 PolarHBondContact O-N 3.1Å; F433-F444 HydrophobicContact CD2-CE1 4.33Å; F433-M445 HydrophobicContact CD2-CG 4.42Å; F433-M445 HydrophobicContact CE1-CE 3.85Å; F433-M445 HydrophobicContact CE1-CG 4.3Å; F433-M445 HydrophobicContact CE1-SD 3.78Å; F433-M445 HydrophobicContact CE2-CB 3.88Å; F433-M445 HydrophobicContact CE2-CG 3.77Å; F433-M445 HydrophobicContact CE2-SD 4.22Å; F433-M445 HydrophobicContact CZ-CB 4.01Å; F433-M445 HydrophobicContact CZ-CE 3.58Å; F433-M445 HydrophobicContact CZ-CG 3.76Å; F433-M445 HydrophobicContact CZ-SD 3.56Å; F433-M445 VanDerWaalsContact CZ-SD 3.56Å; F433-L449 HydrophobicContact CE2-CD1 4.43Å; F433-L449 HydrophobicContact CE2-CD2 4.37Å; F433-L449 HydrophobicContact CE2-CG 3.99Å; F433-L449 HydrophobicContact CZ-CD1 4.03Å; F433-L449 HydrophobicContact CZ-CD2 4.19Å; F433-L449 HydrophobicContact CZ-CG 3.94Å; F433-I454 HydrophobicContact CB-CD1 4.28Å; F433-I454 HydrophobicContact CD1-CG2 4.37Å; F433-I454 HydrophobicContact CD2-CD1 3.25Å; F433-I454 HydrophobicContact CD2-CG1 4.24Å; F433-I454 HydrophobicContact CD2-CG2 4.49Å; F433-I454 HydrophobicContact CE1-CG2 4.44Å; F433-I454 HydrophobicContact CE2-CD1 3.65Å; F433-I454 HydrophobicContact CG-CD1 3.92Å; F433-I454 HydrophobicContact CG-CG1 4.46Å; F433-I454 HydrophobicContact CG-CG2 4.42Å; F433-L466 HydrophobicContact CD1-CD1 3.82Å; F433-L466 HydrophobicContact CD1-CD2 4Å; F433-L466 HydrophobicContact CD1-CG 4.43Å; F433-L466 HydrophobicContact CE1-CD1 3.92Å; F433-L482 HydrophobicContact CE1-CD2 3.91Å; F433-L482 HydrophobicContact CZ-CD2 4.01Å
434I91.2Very high80Confident13.5 Ų13.573.1 Ų73.17%0.06934%0.344CS..Hα-helixtrans-62.4-39.2172.4-68.4164.8000111H430 R431 A436 I437 K438 Y458 L466 W469H430-I434 WeakPolarHBondContact O-CG1 3.34Å; H430-I434 PolarHBondContact O-N 3.1Å; R431-I434 PolarHBondContact O-N 3.02Å; I434-A436 VanDerWaalsContact C-N 3.32Å; I434-A436 PolarHBondContact O-N 3Å; I434-I437 WeakPolarHBondContact O-CB 3.44Å; I434-I437 PolarHBondContact O-N 3.07Å; I434-I437 VanDerWaalsContact O-N 3.14Å; I434-K438 HydrophobicContact CG2-CD 4.42Å; I434-K438 WeakPolarHBondContact O-CG 3.37Å; I434-K438 PolarHBondContact O-N 2.94Å; I434-Y458 HydrophobicContact CD1-CE1 4.26Å; I434-L466 HydrophobicContact CD1-CD2 4.1Å; I434-L466 HydrophobicContact CG1-CD2 3.58Å; I434-W469 HydrophobicContact CG1-CG 4.25Å; I434-W469 HydrophobicContact CG2-CD2 3.62Å; I434-W469 HydrophobicContact CG2-CE3 3.87Å; I434-W469 HydrophobicContact CG2-CG 3.97Å; I434-W469 HydrophobicContact CG2-CZ2 4.32Å; I434-W469 HydrophobicContact CG2-CZ3 4.36Å
435E89.3Confident82.7Confident71.5 Ų71.563 Ų6333%0.33431%0.306SS..Hα-helixtrans-65.4-38.4175.1-176.960.8-167.900112R431 H432 F433 I437 K438 R439R431-E435 WeakPolarHBondContact O-CB 3.3Å; R431-E435 PolarHBondContact O-N 3.35Å; H432-E435 PolarHBondContact O-N 3.24Å; F433-E435 VanDerWaalsContact C-N 3.31Å; F433-E435 PolarHBondContact O-N 3.24Å; E435-I437 VanDerWaalsContact C-N 3.32Å; E435-I437 PolarHBondContact O-N 3.26Å; E435-K438 PolarHBondContact O-N 3.43Å; E435-R439 WeakPolarHBondContact O-CG 3.35Å; E435-R439 PolarHBondContact O-N 3.06Å; E435-R439 VanDerWaalsContact O-N 3.07Å; E435-R439 IonicContact OE1-CZ 2.82Å; E435-R439 IonicContact OE1-NE 3.24Å; E435-R439 PolarHBondContact OE1-NE 2.92Å; E435-R439 IonicContact OE1-NH2 3.23Å; E435-R439 PolarHBondContact OE1-NH2 3.35Å
436A90.2Very high85.3Confident7 Ų759.9 Ų59.96%0.05829%0.29CS..Hα-helixtrans-63.6-36.2171.400000112.5H432 F433 I434 R439 Q440 D441 F444 M445H432-A436 PolarHBondContact O-N 3.3Å; F433-A436 WeakPolarHBondContact O-CB 3.47Å; F433-A436 PolarHBondContact O-N 3.12Å; I434-A436 VanDerWaalsContact C-N 3.32Å; I434-A436 PolarHBondContact O-N 3Å; A436-R439 CarbonylContact O-C 3.55Å; A436-R439 PolarHBondContact O-N 3.25Å; A436-Q440 PolarHBondContact O-N 3.21Å; A436-D441 HydrophobicContact CB-CB 4.44Å; A436-D441 PolarHBondContact O-N 3.25Å; A436-F444 HydrophobicContact CB-CB 4.32Å; A436-F444 HydrophobicContact CB-CD1 3.27Å; A436-F444 HydrophobicContact CB-CE1 3.8Å; A436-F444 HydrophobicContact CB-CG 4.03Å; A436-M445 HydrophobicContact CB-CG 4.47Å
437I91.9Very high87Confident0 Ų065.9 Ų65.90%030%0.302CS..Hα-helixtrans-61-47.2172.9-69.1168.3000110.9F433 I434 E435 R439 Q440 M445 L466 W469 A470 M478F433-I437 HydrophobicContact CD1-CD1 3.92Å; F433-I437 HydrophobicContact CD1-CG1 4.39Å; F433-I437 HydrophobicContact CE1-CD1 3.87Å; F433-I437 HydrophobicContact CE1-CG1 4.32Å; F433-I437 WeakPolarHBondContact O-CG1 3.48Å; F433-I437 PolarHBondContact O-N 3.1Å; I434-I437 WeakPolarHBondContact O-CB 3.44Å; I434-I437 PolarHBondContact O-N 3.07Å; I434-I437 VanDerWaalsContact O-N 3.14Å; E435-I437 VanDerWaalsContact C-N 3.32Å; E435-I437 PolarHBondContact O-N 3.26Å; I437-R439 VanDerWaalsContact C-N 3.28Å; I437-R439 PolarHBondContact O-N 3.29Å; I437-Q440 PolarHBondContact O-N 3.27Å; I437-Q440 VanDerWaalsContact O-N 3.12Å; I437-Q440 PolarHBondContact O-NE2 3.18Å; I437-M445 HydrophobicContact CD1-CE 4.23Å; I437-M445 HydrophobicContact CD1-SD 4.39Å; I437-M445 HydrophobicContact CG1-CE 3.87Å; I437-M445 HydrophobicContact CG1-SD 3.65Å; I437-M445 VanDerWaalsContact CG1-SD 3.53Å; I437-L466 HydrophobicContact CD1-CB 4.45Å; I437-W469 HydrophobicContact CD1-CB 4.18Å; I437-W469 HydrophobicContact CG2-CB 4.21Å; I437-A470 HydrophobicContact CD1-CB 4.47Å; I437-A470 HydrophobicContact CG2-CB 4.36Å; I437-M478 HydrophobicContact CB-CE 4.22Å; I437-M478 HydrophobicContact CG1-CE 4.27Å; I437-M478 HydrophobicContact CG2-CE 4.22Å; I437-M478 WeakPolarHBondContact O-CE 3.39Å
438K90.7Very high88.1Confident94.5 Ų94.563 Ų6341%0.41129%0.288SS..Hα-helixtrans-62.5-34.9178.7-69.7170.9-178.2172.80112.6I434 E435 Q440 W469I434-K438 HydrophobicContact CG2-CD 4.42Å; I434-K438 WeakPolarHBondContact O-CG 3.37Å; I434-K438 PolarHBondContact O-N 2.94Å; E435-K438 PolarHBondContact O-N 3.43Å; K438-Q440 VanDerWaalsContact C-N 3.3Å; K438-Q440 PolarHBondContact O-N 3.46Å; K438-W469 HydrophobicContact CD-CZ3 4.47Å
439R89.2Confident88.7Confident180.5 Ų180.562.4 Ų62.468%0.68128%0.281SS*.THydrogen-bonded Turntrans-81.6-2.3176.7-65.9176.9-170.9-167.55.4114.5E435 A436 I437 D441E435-R439 WeakPolarHBondContact O-CG 3.35Å; E435-R439 PolarHBondContact O-N 3.06Å; E435-R439 VanDerWaalsContact O-N 3.07Å; E435-R439 IonicContact OE1-CZ 2.82Å; E435-R439 IonicContact OE1-NE 3.24Å; E435-R439 PolarHBondContact OE1-NE 2.92Å; E435-R439 IonicContact OE1-NH2 3.23Å; E435-R439 PolarHBondContact OE1-NH2 3.35Å; A436-R439 CarbonylContact O-C 3.55Å; A436-R439 PolarHBondContact O-N 3.25Å; I437-R439 VanDerWaalsContact C-N 3.28Å; I437-R439 PolarHBondContact O-N 3.29Å; R439-D441 VanDerWaalsContact C-N 3.25Å; R439-D441 PolarHBondContact O-N 3.15Å
440Q88.5Confident88.8Confident94.5 Ų94.568.4 Ų68.444%0.44230%0.303SS..THydrogen-bonded Turntrans57.829.2-173.7-55.6-117.2-3800114.5A436 I437 K438 L442 F473 M478A436-Q440 PolarHBondContact O-N 3.21Å; I437-Q440 PolarHBondContact O-N 3.27Å; I437-Q440 VanDerWaalsContact O-N 3.12Å; I437-Q440 PolarHBondContact O-NE2 3.18Å; K438-Q440 VanDerWaalsContact C-N 3.3Å; K438-Q440 PolarHBondContact O-N 3.46Å; Q440-L442 VanDerWaalsContact C-N 3.32Å; Q440-L442 PolarHBondContact O-N 3.22Å; Q440-L442 VanDerWaalsContact O-N 3.13Å; Q440-F473 PolarHBondContact NE2-O 3.16Å; Q440-M478 HydrophobicContact CB-CE 4.49Å; Q440-M478 HydrophobicContact CB-SD 4.03Å; Q440-M478 HydrophobicContact CG-SD 4.34Å
441D90.5Very high88.6Confident63 Ų6370.6 Ų70.634%0.33732%0.321SS..  trans-82.183.1-179.8-170-14.7000111.5A436 R439 D443 F444 M445A436-D441 HydrophobicContact CB-CB 4.44Å; A436-D441 PolarHBondContact O-N 3.25Å; R439-D441 VanDerWaalsContact C-N 3.25Å; R439-D441 PolarHBondContact O-N 3.15Å; D441-D443 VanDerWaalsContact C-N 3.31Å; D441-D443 PolarHBondContact O-N 2.93Å; D441-D443 PolarHBondContact OD1-N 3.23Å; D441-D443 VanDerWaalsContact OD1-N 3.17Å; D441-F444 HydrophobicContact CB-CB 4.04Å; D441-F444 PolarHBondContact O-N 2.96Å; D441-F444 WeakPolarHBondContact OD1-CB 3.43Å; D441-F444 PolarHBondContact OD1-N 3.32Å; D441-F444 VanDerWaalsContact OD2-CB 3.29Å; D441-F444 WeakPolarHBondContact OD2-CB 3.37Å; D441-M445 WeakPolarHBondContact O-CG 3.18Å; D441-M445 PolarHBondContact O-N 3Å
442L90.5Very high88.2Confident42.5 Ų42.567.8 Ų67.822%0.22333%0.33CS..Hα-helixtrans-62.4-31.1178.1-17767.9000112.6Q440 M445 K446 A477 M478 L481Q440-L442 VanDerWaalsContact C-N 3.32Å; Q440-L442 PolarHBondContact O-N 3.22Å; Q440-L442 VanDerWaalsContact O-N 3.13Å; L442-M445 HydrophobicContact CD1-CE 4.03Å; L442-M445 PolarHBondContact O-N 3.31Å; L442-K446 HydrophobicContact CG-CD 4.37Å; L442-K446 VanDerWaalsContact O-CG 3.3Å; L442-K446 WeakPolarHBondContact O-CG 3.44Å; L442-K446 PolarHBondContact O-N 3.03Å; L442-A477 HydrophobicContact CD2-CB 4.25Å; L442-M478 HydrophobicContact CB-CG 4.27Å; L442-M478 HydrophobicContact CD1-CB 4.48Å; L442-M478 HydrophobicContact CD1-CG 3.72Å; L442-L481 HydrophobicContact CD1-CB 4.47Å; L442-L481 HydrophobicContact CD1-CD2 3.86Å
443D90.1Very high87.8Confident98 Ų9869.6 Ų69.652%0.52434%0.337SS..Hα-helixtrans-80.6-31.9-177-69.6-34.5000112.2D441 K446 R447D441-D443 VanDerWaalsContact C-N 3.31Å; D441-D443 PolarHBondContact O-N 2.93Å; D441-D443 PolarHBondContact OD1-N 3.23Å; D441-D443 VanDerWaalsContact OD1-N 3.17Å; D443-K446 WeakPolarHBondContact OD1-CD 3.37Å; D443-K446 IonicContact OD1-NZ 3.27Å; D443-K446 PolarHBondContact OD1-NZ 2.84Å; D443-R447 WeakPolarHBondContact O-CB 3.28Å; D443-R447 VanDerWaalsContact O-CG 3.26Å; D443-R447 WeakPolarHBondContact O-CG 3.36Å; D443-R447 PolarHBondContact O-N 3.4Å; D443-R447 VanDerWaalsContact O-N 3.11Å; D443-R447 PolarHBondContact O-NE 3.14Å
444F89.8Confident87.6Confident63.5 Ų63.570.3 Ų70.328%0.27934%0.34SS..Hα-helixtrans-62.8-45.4163.3-177.1-88.5000111F433 A436 D441 K446 R447 S448F433-F444 HydrophobicContact CD2-CE1 4.33Å; A436-F444 HydrophobicContact CB-CB 4.32Å; A436-F444 HydrophobicContact CB-CD1 3.27Å; A436-F444 HydrophobicContact CB-CE1 3.8Å; A436-F444 HydrophobicContact CB-CG 4.03Å; D441-F444 HydrophobicContact CB-CB 4.04Å; D441-F444 PolarHBondContact O-N 2.96Å; D441-F444 WeakPolarHBondContact OD1-CB 3.43Å; D441-F444 PolarHBondContact OD1-N 3.32Å; D441-F444 VanDerWaalsContact OD2-CB 3.29Å; D441-F444 WeakPolarHBondContact OD2-CB 3.37Å; F444-K446 PolarHBondContact O-N 3.09Å; F444-R447 PolarHBondContact O-N 2.97Å; F444-S448 WeakPolarHBondContact CD1-OG 3.46Å; F444-S448 VanDerWaalsContact CE1-OG 3.28Å; F444-S448 WeakPolarHBondContact CE1-OG 3.36Å; F444-S448 WeakPolarHBondContact CZ-OG 3.33Å; F444-S448 VanDerWaalsContact O-CB 3.3Å; F444-S448 WeakPolarHBondContact O-CB 3.41Å; F444-S448 PolarHBondContact O-N 2.92Å; F444-S448 PolarHBondContact O-OG 3.38Å
445M91.5Very high87.4Confident0 Ų073.8 Ų73.80%036%0.359CS..Hα-helixtrans-60.3-46.2177.7-70.2-167.513.700112.2F433 A436 I437 D441 L442 R447 S448 L449 M478 L481 L482F433-M445 HydrophobicContact CD2-CG 4.42Å; F433-M445 HydrophobicContact CE1-CE 3.85Å; F433-M445 HydrophobicContact CE1-CG 4.3Å; F433-M445 HydrophobicContact CE1-SD 3.78Å; F433-M445 HydrophobicContact CE2-CB 3.88Å; F433-M445 HydrophobicContact CE2-CG 3.77Å; F433-M445 HydrophobicContact CE2-SD 4.22Å; F433-M445 HydrophobicContact CZ-CB 4.01Å; F433-M445 HydrophobicContact CZ-CE 3.58Å; F433-M445 HydrophobicContact CZ-CG 3.76Å; F433-M445 HydrophobicContact CZ-SD 3.56Å; F433-M445 VanDerWaalsContact CZ-SD 3.56Å; A436-M445 HydrophobicContact CB-CG 4.47Å; I437-M445 HydrophobicContact CD1-CE 4.23Å; I437-M445 HydrophobicContact CD1-SD 4.39Å; I437-M445 HydrophobicContact CG1-CE 3.87Å; I437-M445 HydrophobicContact CG1-SD 3.65Å; I437-M445 VanDerWaalsContact CG1-SD 3.53Å; D441-M445 WeakPolarHBondContact O-CG 3.18Å; D441-M445 PolarHBondContact O-N 3Å; L442-M445 HydrophobicContact CD1-CE 4.03Å; L442-M445 PolarHBondContact O-N 3.31Å; M445-R447 PolarHBondContact O-N 3.38Å; M445-S448 PolarHBondContact O-N 2.96Å; M445-L449 WeakPolarHBondContact O-CB 3.42Å; M445-L449 WeakPolarHBondContact O-CG 3.28Å; M445-L449 PolarHBondContact O-N 2.9Å; M445-M478 HydrophobicContact CE-CB 3.81Å; M445-M478 VanDerWaalsContact CE-CB 3.48Å; M445-M478 HydrophobicContact CE-CE 3.41Å; M445-M478 VanDerWaalsContact CE-CE 3.41Å; M445-M478 HydrophobicContact CE-CG 3.4Å; M445-M478 VanDerWaalsContact CE-CG 3.4Å; M445-M478 HydrophobicContact CE-SD 4.27Å; M445-M478 HydrophobicContact CG-CE 4.47Å; M445-M478 HydrophobicContact SD-CB 3.86Å; M445-M478 HydrophobicContact SD-CE 3.57Å; M445-M478 WeakPolarHBondContact SD-CE 3.11Å; M445-M478 HydrophobicContact SD-CG 3.73Å; M445-M478 HydrophobicContact SD-SD 4.41Å; M445-L481 HydrophobicContact CB-CD2 3.81Å; M445-L481 HydrophobicContact CE-CD2 4.05Å; M445-L482 HydrophobicContact CE-CD1 4Å; M445-L482 HydrophobicContact CE-CD2 4.05Å; M445-L482 HydrophobicContact CE-CG 3.84Å
446K89.7Confident87.3Confident80 Ų8071.2 Ų71.235%0.34835%0.348SS..Hα-helixtrans-58.5-44.7175.7-74.3171-171.6157.90112.3L442 D443 F444 K450 L481L442-K446 HydrophobicContact CG-CD 4.37Å; L442-K446 VanDerWaalsContact O-CG 3.3Å; L442-K446 WeakPolarHBondContact O-CG 3.44Å; L442-K446 PolarHBondContact O-N 3.03Å; D443-K446 WeakPolarHBondContact OD1-CD 3.37Å; D443-K446 IonicContact OD1-NZ 3.27Å; D443-K446 PolarHBondContact OD1-NZ 2.84Å; F444-K446 PolarHBondContact O-N 3.09Å; K446-K450 WeakPolarHBondContact O-CB 3.3Å; K446-K450 WeakPolarHBondContact O-CG 3.44Å; K446-K450 PolarHBondContact O-N 2.9Å; K446-K450 VanDerWaalsContact O-N 3.12Å; K446-L481 HydrophobicContact CB-CD2 4.47Å; K446-L481 HydrophobicContact CG-CD1 4.09Å; K446-L481 HydrophobicContact CG-CD2 3.74Å
447R86.7Confident87.3Confident159 Ų15973.4 Ų73.460%0.636%0.359SS*.Hα-helixtrans-64.9-42.7178-76.8179.7-69154.3-3.1111.6D443 F444 M445 K450 S451D443-R447 WeakPolarHBondContact O-CB 3.28Å; D443-R447 VanDerWaalsContact O-CG 3.26Å; D443-R447 WeakPolarHBondContact O-CG 3.36Å; D443-R447 PolarHBondContact O-N 3.4Å; D443-R447 VanDerWaalsContact O-N 3.11Å; D443-R447 PolarHBondContact O-NE 3.14Å; F444-R447 PolarHBondContact O-N 2.97Å; M445-R447 PolarHBondContact O-N 3.38Å; R447-K450 PolarHBondContact O-N 3.19Å; R447-S451 PolarHBondContact O-N 3.01Å; R447-S451 VanDerWaalsContact O-N 3.16Å
448S86.5Confident87.1Confident18 Ų1875.1 Ų75.113%0.12637%0.365CS..Hα-helixtrans-75-39.6-174.8-53.10000111.9F444 M445 K450 S451F444-S448 WeakPolarHBondContact CD1-OG 3.46Å; F444-S448 VanDerWaalsContact CE1-OG 3.28Å; F444-S448 WeakPolarHBondContact CE1-OG 3.36Å; F444-S448 WeakPolarHBondContact CZ-OG 3.33Å; F444-S448 VanDerWaalsContact O-CB 3.3Å; F444-S448 WeakPolarHBondContact O-CB 3.41Å; F444-S448 PolarHBondContact O-N 2.92Å; F444-S448 PolarHBondContact O-OG 3.38Å; M445-S448 PolarHBondContact O-N 2.96Å; S448-K450 VanDerWaalsContact C-N 3.31Å; S448-K450 PolarHBondContact O-N 2.98Å; S448-S451 WeakPolarHBondContact O-CB 3.41Å; S448-S451 PolarHBondContact O-N 3.05Å; S448-S451 PolarHBondContact O-OG 3.1Å
449L86.9Confident87Confident12 Ų1274.2 Ų74.26%0.06336%0.363CS..Hα-helixtrans-64.5-38.2172.3-73.4165.3000112F433 M445 S451 G452 I454 V456 L481 L482 H485F433-L449 HydrophobicContact CE2-CD1 4.43Å; F433-L449 HydrophobicContact CE2-CD2 4.37Å; F433-L449 HydrophobicContact CE2-CG 3.99Å; F433-L449 HydrophobicContact CZ-CD1 4.03Å; F433-L449 HydrophobicContact CZ-CD2 4.19Å; F433-L449 HydrophobicContact CZ-CG 3.94Å; M445-L449 WeakPolarHBondContact O-CB 3.42Å; M445-L449 WeakPolarHBondContact O-CG 3.28Å; M445-L449 PolarHBondContact O-N 2.9Å; L449-S451 PolarHBondContact O-N 3.41Å; L449-G452 PolarHBondContact O-N 3.03Å; L449-G452 VanDerWaalsContact O-N 3.1Å; L449-I454 HydrophobicContact CD2-CG2 4.28Å; L449-V456 HydrophobicContact CD2-CG2 3.8Å; L449-L481 HydrophobicContact CD1-CD1 4.39Å; L449-L481 HydrophobicContact CD1-CD2 3.77Å; L449-L481 HydrophobicContact CD1-CG 3.71Å; L449-L482 HydrophobicContact CD1-CD2 4.29Å; L449-L482 HydrophobicContact CD2-CD2 4.37Å; L449-H485 HydrophobicContact CD2-CB 4.24Å
450K83.6Confident86.7Confident175.5 Ų175.566.3 Ų66.376%0.76334%0.335SS*.Hα-helixtrans-63-22.8172-78177.2179.4-173.60113.8K446 R447 S448 G452K446-K450 WeakPolarHBondContact O-CB 3.3Å; K446-K450 WeakPolarHBondContact O-CG 3.44Å; K446-K450 PolarHBondContact O-N 2.9Å; K446-K450 VanDerWaalsContact O-N 3.12Å; R447-K450 PolarHBondContact O-N 3.19Å; S448-K450 VanDerWaalsContact C-N 3.31Å; S448-K450 PolarHBondContact O-N 2.98Å; K450-G452 VanDerWaalsContact C-N 3.35Å; K450-G452 PolarHBondContact O-N 3.3Å
451S81.1Confident86.2Confident65 Ų6569.7 Ų69.746%0.45535%0.35SS..THydrogen-bonded Turntrans-76.4-13176.880.80000113.6R447 S448 L449 K453R447-S451 PolarHBondContact O-N 3.01Å; R447-S451 VanDerWaalsContact O-N 3.16Å; S448-S451 WeakPolarHBondContact O-CB 3.41Å; S448-S451 PolarHBondContact O-N 3.05Å; S448-S451 PolarHBondContact O-OG 3.1Å; L449-S451 PolarHBondContact O-N 3.41Å; S451-K453 PolarHBondContact O-N 3.1Å; S451-K453 VanDerWaalsContact O-N 3.13Å; S451-K453 PolarHBondContact OG-N 3.09Å
452G78.6Confident85.6Confident64.5 Ų64.570.7 Ų70.767%0.66536%0.355SS*.THydrogen-bonded Turntrans69.7-1.6-177.700000115.3L449 K450 I454L449-G452 PolarHBondContact O-N 3.03Å; L449-G452 VanDerWaalsContact O-N 3.1Å; K450-G452 VanDerWaalsContact C-N 3.35Å; K450-G452 PolarHBondContact O-N 3.3Å; G452-I454 PolarHBondContact O-N 2.9Å; G452-I454 VanDerWaalsContact O-N 3.16Å
453K78.3Confident85.1Confident159.5 Ų159.569.4 Ų69.469%0.69335%0.352SS*.  trans-78.9-1.7-175.2-64.4-170.4175.9-169.40115.2V429 S451V429-K453 HydrophobicContact CG1-CB 4.44Å; S451-K453 PolarHBondContact O-N 3.1Å; S451-K453 VanDerWaalsContact O-N 3.13Å; S451-K453 PolarHBondContact OG-N 3.09Å
454I84.9Confident85.1Confident13.5 Ų13.566.1 Ų66.17%0.06933%0.333CS..SBendtrans-116.1124-175.2-70.8149.1000108.9V429 F433 L449 G452 V456 L466V429-I454 HydrophobicContact CG1-CD1 4.38Å; V429-I454 HydrophobicContact CG1-CG1 3.82Å; F433-I454 HydrophobicContact CB-CD1 4.28Å; F433-I454 HydrophobicContact CD1-CG2 4.37Å; F433-I454 HydrophobicContact CD2-CD1 3.25Å; F433-I454 HydrophobicContact CD2-CG1 4.24Å; F433-I454 HydrophobicContact CD2-CG2 4.49Å; F433-I454 HydrophobicContact CE1-CG2 4.44Å; F433-I454 HydrophobicContact CE2-CD1 3.65Å; F433-I454 HydrophobicContact CG-CD1 3.92Å; F433-I454 HydrophobicContact CG-CG1 4.46Å; F433-I454 HydrophobicContact CG-CG2 4.42Å; L449-I454 HydrophobicContact CD2-CG2 4.28Å; G452-I454 PolarHBondContact O-N 2.9Å; G452-I454 VanDerWaalsContact O-N 3.16Å; I454-V456 PolarHBondContact O-N 3.13Å; I454-L466 HydrophobicContact CG2-CD1 3.7Å
455D86.4Confident85.1Confident88.5 Ų88.563.2 Ų63.247%0.47332%0.321SS..  trans-73.8114.8164.6179.110.7000108.7H430 N457 Y458 L466H430-D455 PolarHBondContact NE2-N 3.07Å; D455-N457 PolarHBondContact O-N 3.08Å; D455-N457 PolarHBondContact OD1-N 3.14Å; D455-Y458 WeakPolarHBondContact O-CB 3.36Å; D455-Y458 PolarHBondContact O-N 3.33Å; D455-Y458 VanDerWaalsContact O-N 3.12Å; D455-Y458 PolarHBondContact OD2-N 2.96Å; D455-L466 WeakPolarHBondContact O-CD1 3.2Å
456V88.6Confident85.2Confident16.5 Ų16.563.2 Ų63.210%0.132%0.321CS..THydrogen-bonded Turntrans-64.3-24.5-179.5-172.10000111.4L449 I454 L482 H485 A487L449-V456 HydrophobicContact CD2-CG2 3.8Å; I454-V456 PolarHBondContact O-N 3.13Å; V456-L482 HydrophobicContact CG1-CD2 4.05Å; V456-L482 WeakPolarHBondContact CG1-O 3.3Å; V456-H485 HydrophobicContact CG1-CB 4.3Å; V456-H485 HydrophobicContact CG2-CB 4.08Å; V456-A487 HydrophobicContact CG1-CB 3.63Å
457N89.8Confident85.4Confident52 Ų5259.5 Ų59.528%0.27831%0.305SS..THydrogen-bonded Turntrans-99.310.5178.4-68.1-65.4000113.4D455 M459 G486 N488 L491D455-N457 PolarHBondContact O-N 3.08Å; D455-N457 PolarHBondContact OD1-N 3.14Å; N457-M459 PolarHBondContact O-N 3.35Å; N457-G486 PolarHBondContact ND2-O 3.21Å; N457-N488 VanDerWaalsContact OD1-CB 3.26Å; N457-N488 WeakPolarHBondContact OD1-CB 3.22Å; N457-N488 PolarHBondContact OD1-N 3.14Å; N457-L491 HydrophobicContact CB-CD2 3.84Å
458Y88.5Confident85.7Confident36.5 Ų36.551.9 Ų51.914%0.14328%0.276CS..  trans-52.1133.7175.2173-90.9000111.6D427 H430 I434 D455 D460 T465 L466D427-Y458 WeakPolarHBondContact OD1-CE2 3.21Å; D427-Y458 PolarHBondContact OD1-OH 3.02Å; H430-Y458 HydrophobicContact CB-CD1 3.77Å; H430-Y458 HydrophobicContact CB-CD2 4Å; H430-Y458 HydrophobicContact CB-CE1 3.65Å; H430-Y458 HydrophobicContact CB-CE2 3.87Å; H430-Y458 HydrophobicContact CB-CG 3.94Å; H430-Y458 VanDerWaalsContact CD2-CB 3.49Å; H430-Y458 WeakPolarHBondContact CD2-CB 3.49Å; H430-Y458 AromaticContact CD2-CD1 3.84Å; H430-Y458 AromaticContact CD2-CD2 3.61Å; H430-Y458 AromaticContact CD2-CG 3.37Å; H430-Y458 VanDerWaalsContact CD2-CG 3.41Å; H430-Y458 AromaticContact CE1-CD2 3.9Å; H430-Y458 AromaticContact CG-CD1 3.81Å; H430-Y458 AromaticContact CG-CD2 3.49Å; H430-Y458 VanDerWaalsContact CG-CD2 3.42Å; H430-Y458 AromaticContact CG-CE2 3.77Å; H430-Y458 AromaticContact CG-CG 3.58Å; H430-Y458 AromaticContact ND1-CD2 3.73Å; H430-Y458 AromaticContact ND1-CE2 3.92Å; H430-Y458 AromaticContact NE2-CD2 3.95Å; H430-Y458 AromaticContact NE2-CG 3.91Å; I434-Y458 HydrophobicContact CD1-CE1 4.26Å; D455-Y458 WeakPolarHBondContact O-CB 3.36Å; D455-Y458 PolarHBondContact O-N 3.33Å; D455-Y458 VanDerWaalsContact O-N 3.12Å; D455-Y458 PolarHBondContact OD2-N 2.96Å; Y458-D460 HydrophobicContact CE1-CB 4.2Å; Y458-T465 VanDerWaalsContact O-CA 3.29Å; Y458-T465 WeakPolarHBondContact O-CA 3.33Å; Y458-L466 HydrophobicContact CD1-CD2 4.07Å; Y458-L466 HydrophobicContact CD1-CG 4.35Å; Y458-L466 PolarHBondContact O-N 3.39Å
459M86.6Confident86.1Confident75.5 Ų75.552.6 Ų52.637%0.37228%0.276SS..BIsolated β-bridgetrans-115135.1172.1-67.8-173.8-6200110N457 Q464 T465 L491N457-M459 PolarHBondContact O-N 3.35Å; M459-Q464 WeakPolarHBondContact CA-O 3.29Å; M459-T465 HydrophobicContact CG-CG2 3.65Å; M459-T465 HydrophobicContact SD-CG2 4.27Å; M459-L491 HydrophobicContact SD-CD1 4.36Å; M459-L491 HydrophobicContact SD-CG 4.17Å
460D83.7Confident86.4Confident15.5 Ų15.552.1 Ų52.18%0.08327%0.273CS..  trans-76.8177.917367.817.2000112.8Y458 L462 G463 Q464 W469Y458-D460 HydrophobicContact CE1-CB 4.2Å; D460-L462 PolarHBondContact O-N 3.11Å; D460-L462 WeakPolarHBondContact OD1-CA 3.34Å; D460-L462 WeakPolarHBondContact OD1-CB 3.43Å; D460-L462 PolarHBondContact OD1-N 3.43Å; D460-G463 PolarHBondContact O-N 2.94Å; D460-G463 PolarHBondContact OD1-N 3.04Å; D460-Q464 PolarHBondContact N-O 3.12Å; D460-Q464 WeakPolarHBondContact OD1-CB 3.37Å; D460-Q464 PolarHBondContact OD1-N 3.35Å; D460-W469 WeakPolarHBondContact OD2-CZ2 3.35Å; D460-W469 PolarHBondContact OD2-NE1 3.11Å; D460-W469 VanDerWaalsContact OD2-NE1 3.13Å
461H78Confident86.9Confident165 Ų16543.7 Ų43.776%0.76424%0.237SC*.THydrogen-bonded Turntrans-59-12.4175.363.3-68.3000115.3
462L77.9Confident87.5Confident84.5 Ų84.540.8 Ų40.844%0.44222%0.217SC..THydrogen-bonded Turntrans-97.52.9173.7-58.4176.1000112D460 Q464 I1196D460-L462 PolarHBondContact O-N 3.11Å; D460-L462 WeakPolarHBondContact OD1-CA 3.34Å; D460-L462 WeakPolarHBondContact OD1-CB 3.43Å; D460-L462 PolarHBondContact OD1-N 3.43Å; L462-Q464 VanDerWaalsContact C-N 3.3Å; L462-Q464 HydrophobicContact CB-CG 4.05Å; L462-Q464 PolarHBondContact O-N 3.46Å; L462-I1196 HydrophobicContact CD1-CD1 3.9Å; L462-I1196 HydrophobicContact CD2-CD1 3.98Å
463G80.9Confident88.1Confident14.5 Ų14.541.9 Ų41.915%0.14920%0.203CC..SBendtrans70.924.2-175.700000113.5D460 G492 V493D460-G463 PolarHBondContact O-N 2.94Å; D460-G463 PolarHBondContact OD1-N 3.04Å; G463-G492 WeakPolarHBondContact O-CA 3.36Å; G463-V493 PolarHBondContact O-N 2.91Å
464Q88.2Confident88.6Confident28.5 Ų28.534.4 Ų34.413%0.13317%0.171CC..  trans-94.7125.1176.9-54.2-17414.800110.3M459 D460 L462 N468 Y499M459-Q464 WeakPolarHBondContact CA-O 3.29Å; D460-Q464 PolarHBondContact N-O 3.12Å; D460-Q464 WeakPolarHBondContact OD1-CB 3.37Å; D460-Q464 PolarHBondContact OD1-N 3.35Å; L462-Q464 VanDerWaalsContact C-N 3.3Å; L462-Q464 HydrophobicContact CB-CG 4.05Å; L462-Q464 PolarHBondContact O-N 3.46Å; Q464-N468 HydrophobicContact CB-CB 4.16Å; Q464-Y499 VanDerWaalsContact CD-OH 3.3Å; Q464-Y499 WeakPolarHBondContact CG-OH 3.35Å; Q464-Y499 PolarHBondContact NE2-OH 3.42Å
465T91.4Very high88.9Confident2.5 Ų2.535.4 Ų35.42%0.01518%0.179CC..BIsolated β-bridgetrans-73.2161.1174.657.20000111.6Y458 M459 L467 N468 W469 L491Y458-T465 VanDerWaalsContact O-CA 3.29Å; Y458-T465 WeakPolarHBondContact O-CA 3.33Å; M459-T465 HydrophobicContact CG-CG2 3.65Å; M459-T465 HydrophobicContact SD-CG2 4.27Å; T465-L467 PolarHBondContact O-N 3.07Å; T465-L467 VanDerWaalsContact O-N 3.14Å; T465-N468 PolarHBondContact N-ND2 3.17Å; T465-N468 WeakPolarHBondContact O-CA 3.27Å; T465-N468 WeakPolarHBondContact O-CB 3.24Å; T465-N468 PolarHBondContact O-N 2.9Å; T465-N468 VanDerWaalsContact OG1-CG 3.24Å; T465-N468 PolarHBondContact OG1-N 3.04Å; T465-N468 PolarHBondContact OG1-OD1 3.23Å; T465-W469 VanDerWaalsContact O-CD1 3.29Å; T465-W469 PolarHBondContact O-N 3.17Å; T465-W469 VanDerWaalsContact O-N 3.15Å; T465-L491 HydrophobicContact CG2-CB 3.95Å; T465-L491 HydrophobicContact CG2-CD2 3.9Å; T465-L491 HydrophobicContact CG2-CG 3.72Å; T465-L491 WeakPolarHBondContact CG2-O 3.31Å
466L92.2Very high89.1Confident0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-53.8-33.1167.3-64-177.9000112.3F433 I434 I437 I454 D455 Y458 W469 A470 L482F433-L466 HydrophobicContact CD1-CD1 3.82Å; F433-L466 HydrophobicContact CD1-CD2 4Å; F433-L466 HydrophobicContact CD1-CG 4.43Å; F433-L466 HydrophobicContact CE1-CD1 3.92Å; I434-L466 HydrophobicContact CD1-CD2 4.1Å; I434-L466 HydrophobicContact CG1-CD2 3.58Å; I437-L466 HydrophobicContact CD1-CB 4.45Å; I454-L466 HydrophobicContact CG2-CD1 3.7Å; D455-L466 WeakPolarHBondContact O-CD1 3.2Å; Y458-L466 HydrophobicContact CD1-CD2 4.07Å; Y458-L466 HydrophobicContact CD1-CG 4.35Å; Y458-L466 PolarHBondContact O-N 3.39Å; L466-W469 PolarHBondContact O-N 3.34Å; L466-A470 WeakPolarHBondContact O-CB 3.46Å; L466-A470 PolarHBondContact O-N 2.98Å; L466-L482 HydrophobicContact CB-CD1 4.39Å
467L94.3Very high89.3Confident2 Ų234.5 Ų34.51%0.0118%0.183CC..Hα-helixtrans-70.5-32.2176-163.461.7000112.5T465 A470 A471 V479 L482 A487 V489 P496 L512T465-L467 PolarHBondContact O-N 3.07Å; T465-L467 VanDerWaalsContact O-N 3.14Å; L467-A470 PolarHBondContact O-N 3.15Å; L467-A471 VanDerWaalsContact O-CB 3.26Å; L467-A471 WeakPolarHBondContact O-CB 3.42Å; L467-A471 PolarHBondContact O-N 3.22Å; L467-V479 HydrophobicContact CD1-CB 4.47Å; L467-V479 HydrophobicContact CD1-CG1 3.94Å; L467-L482 HydrophobicContact CD1-CB 3.85Å; L467-L482 HydrophobicContact CD1-CD1 4.08Å; L467-A487 HydrophobicContact CB-CB 4.45Å; L467-A487 HydrophobicContact CD1-CB 4.39Å; L467-A487 HydrophobicContact CD2-CB 3.94Å; L467-A487 HydrophobicContact CG-CB 4.47Å; L467-V489 HydrophobicContact CD2-CB 4.45Å; L467-V489 HydrophobicContact CD2-CG1 4.4Å; L467-P496 HydrophobicContact CB-CB 4.44Å; L467-P496 HydrophobicContact CB-CG 3.99Å; L467-P496 HydrophobicContact CD2-CB 4.17Å; L467-P496 HydrophobicContact CD2-CG 3.69Å; L467-P496 HydrophobicContact CG-CB 3.93Å; L467-P496 HydrophobicContact CG-CG 3.74Å; L467-L512 HydrophobicContact CD1-CD2 4.49Å; L467-L512 HydrophobicContact CD2-CD2 4.2Å; L467-L512 HydrophobicContact CG-CD2 4.34Å
468N94.1Very high89.6Confident0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-65.1-41.3170.6-70.6-8.3000111.8Q464 T465 A471 S472 R494 P496 Y499Q464-N468 HydrophobicContact CB-CB 4.16Å; T465-N468 PolarHBondContact N-ND2 3.17Å; T465-N468 WeakPolarHBondContact O-CA 3.27Å; T465-N468 WeakPolarHBondContact O-CB 3.24Å; T465-N468 PolarHBondContact O-N 2.9Å; T465-N468 VanDerWaalsContact OG1-CG 3.24Å; T465-N468 PolarHBondContact OG1-N 3.04Å; T465-N468 PolarHBondContact OG1-OD1 3.23Å; N468-A471 PolarHBondContact O-N 2.98Å; N468-S472 WeakPolarHBondContact O-CB 3.36Å; N468-S472 PolarHBondContact O-N 3.01Å; N468-S472 PolarHBondContact O-OG 3.16Å; N468-R494 PolarHBondContact ND2-O 2.94Å; N468-R494 PolarHBondContact OD1-O 2.8Å; N468-P496 WeakPolarHBondContact OD1-CA 3.19Å; N468-P496 WeakPolarHBondContact OD1-CD 3.33Å; N468-P496 VanDerWaalsContact OD1-CG 3.23Å; N468-P496 WeakPolarHBondContact OD1-CG 3.4Å; N468-Y499 HydrophobicContact CB-CD2 3.7Å; N468-Y499 HydrophobicContact CB-CE2 3.73Å; N468-Y499 HydrophobicContact CB-CG 4.43Å; N468-Y499 VanDerWaalsContact CG-CE2 3.45Å; N468-Y499 VanDerWaalsContact ND2-CE2 3.33Å; N468-Y499 WeakPolarHBondContact ND2-CE2 3.31Å
469W94.1Very high89.9Confident34 Ų3430.4 Ų30.413%0.12916%0.163CC..Hα-helixtrans-63-44.3173.5-74.6101.2000111.4I434 I437 K438 D460 T465 L466 A471 S472 F473I434-W469 HydrophobicContact CG1-CG 4.25Å; I434-W469 HydrophobicContact CG2-CD2 3.62Å; I434-W469 HydrophobicContact CG2-CE3 3.87Å; I434-W469 HydrophobicContact CG2-CG 3.97Å; I434-W469 HydrophobicContact CG2-CZ2 4.32Å; I434-W469 HydrophobicContact CG2-CZ3 4.36Å; I437-W469 HydrophobicContact CD1-CB 4.18Å; I437-W469 HydrophobicContact CG2-CB 4.21Å; K438-W469 HydrophobicContact CD-CZ3 4.47Å; D460-W469 WeakPolarHBondContact OD2-CZ2 3.35Å; D460-W469 PolarHBondContact OD2-NE1 3.11Å; D460-W469 VanDerWaalsContact OD2-NE1 3.13Å; T465-W469 VanDerWaalsContact O-CD1 3.29Å; T465-W469 PolarHBondContact O-N 3.17Å; T465-W469 VanDerWaalsContact O-N 3.15Å; L466-W469 PolarHBondContact O-N 3.34Å; W469-A471 VanDerWaalsContact C-N 3.34Å; W469-S472 PolarHBondContact O-N 3.04Å; W469-F473 AromaticContact CE3-CD2 3.72Å; W469-F473 HydrophobicContact CE3-CD2 3.72Å; W469-F473 AromaticContact CE3-CE2 3.63Å; W469-F473 HydrophobicContact CE3-CE2 3.63Å; W469-F473 HydrophobicContact CZ3-CD2 4.11Å; W469-F473 AromaticContact CZ3-CE2 3.58Å; W469-F473 HydrophobicContact CZ3-CE2 3.58Å; W469-F473 HydrophobicContact CZ3-CZ 4.38Å; W469-F473 PolarHBondContact O-N 3.11Å
470A93.8Very high90.2Very high0 Ų031 Ų310%017%0.165CC..Hα-helixtrans-65.9-37.1176.400000112.6I437 L466 L467 G474 V479 L482I437-A470 HydrophobicContact CD1-CB 4.47Å; I437-A470 HydrophobicContact CG2-CB 4.36Å; L466-A470 WeakPolarHBondContact O-CB 3.46Å; L466-A470 PolarHBondContact O-N 2.98Å; L467-A470 PolarHBondContact O-N 3.15Å; A470-G474 CarbonylContact O-C 3.59Å; A470-G474 VanDerWaalsContact O-CA 3.24Å; A470-G474 WeakPolarHBondContact O-CA 3.24Å; A470-G474 PolarHBondContact O-N 3.34Å; A470-V479 HydrophobicContact CB-CG2 3.94Å; A470-L482 HydrophobicContact CB-CD1 3.62Å
471A94.1Very high90.6Very high0 Ų031.4 Ų31.40%017%0.167CC..Hα-helixtrans-67.1-37.717500000112.5L467 N468 W469 P496 A500 R505 I508 L512L467-A471 VanDerWaalsContact O-CB 3.26Å; L467-A471 WeakPolarHBondContact O-CB 3.42Å; L467-A471 PolarHBondContact O-N 3.22Å; N468-A471 PolarHBondContact O-N 2.98Å; W469-A471 VanDerWaalsContact C-N 3.34Å; A471-P496 HydrophobicContact CB-CB 4.18Å; A471-P496 VanDerWaalsContact CB-O 3.25Å; A471-P496 WeakPolarHBondContact CB-O 3.28Å; A471-A500 HydrophobicContact CB-CB 4.3Å; A471-R505 WeakPolarHBondContact O-CD 3.39Å; A471-R505 PolarHBondContact O-NH1 3.05Å; A471-I508 HydrophobicContact CB-CG2 4.28Å; A471-L512 HydrophobicContact CB-CD1 4.42Å
472S92.3Very high91.3Very high4.5 Ų4.523.6 Ų23.63%0.03113%0.131CC..Hα-helixtrans-77-40.2-178.4-58.40000113.6N468 W469 Y499 R505N468-S472 WeakPolarHBondContact O-CB 3.36Å; N468-S472 PolarHBondContact O-N 3.01Å; N468-S472 PolarHBondContact O-OG 3.16Å; W469-S472 PolarHBondContact O-N 3.04Å; S472-Y499 WeakPolarHBondContact OG-CB 3.39Å; S472-Y499 WeakPolarHBondContact OG-CD1 3.34Å; S472-R505 PolarHBondContact O-NE 3.13Å; S472-R505 PolarHBondContact O-NH1 3.26Å; S472-R505 PolarHBondContact O-NH2 3.32Å
473F91.1Very high92Very high87.5 Ų87.520 Ų2038%0.38411%0.112SC..Hα-helixtrans-123.1-31.8-170.8-59.3-75.6000114Q440 W469 R505Q440-F473 PolarHBondContact NE2-O 3.16Å; W469-F473 AromaticContact CE3-CD2 3.72Å; W469-F473 HydrophobicContact CE3-CD2 3.72Å; W469-F473 AromaticContact CE3-CE2 3.63Å; W469-F473 HydrophobicContact CE3-CE2 3.63Å; W469-F473 HydrophobicContact CZ3-CD2 4.11Å; W469-F473 AromaticContact CZ3-CE2 3.58Å; W469-F473 HydrophobicContact CZ3-CE2 3.58Å; W469-F473 HydrophobicContact CZ3-CZ 4.38Å; W469-F473 PolarHBondContact O-N 3.11Å; F473-R505 PolarHBondContact O-NH1 3.16Å; F473-R505 PolarHBondContact O-NH2 3Å; F473-R505 VanDerWaalsContact O-NH2 3.15Å
474G89.4Confident92.5Very high2 Ų223.4 Ų23.42%0.02113%0.131CC..SBendtrans-72.2-175.8-173.200000115.8A470 R505 I508A470-G474 CarbonylContact O-C 3.59Å; A470-G474 VanDerWaalsContact O-CA 3.24Å; A470-G474 WeakPolarHBondContact O-CA 3.24Å; A470-G474 PolarHBondContact O-N 3.34Å; G474-R505 PolarHBondContact O-NH1 2.98Å; G474-I508 WeakPolarHBondContact O-CD1 3.34Å
475S91.6Very high92.5Very high33.5 Ų33.526 Ų2623%0.23414%0.143CC..  trans-100.9161173.668.80000111.4A477 M478 V479S475-A477 PolarHBondContact O-N 3.02Å; S475-M478 PolarHBondContact N-SD 3.03Å; S475-M478 VanDerWaalsContact O-CB 3.3Å; S475-M478 WeakPolarHBondContact O-CB 3.28Å; S475-M478 PolarHBondContact O-N 3.38Å; S475-M478 VanDerWaalsContact OG-CG 3.27Å; S475-M478 WeakPolarHBondContact OG-CG 3.21Å; S475-M478 PolarHBondContact OG-SD 3.27Å; S475-V479 PolarHBondContact O-N 3.44Å
476P91.3Very high92.3Very high44 Ų4428.2 Ų28.229%0.28617%0.165SC..Hα-helixtrans-56.1-35.3176.520.5-32.7000113M478 V479 E480 E507 I508 T511P476-M478 VanDerWaalsContact C-N 3.29Å; P476-M478 PolarHBondContact O-N 3.33Å; P476-V479 WeakPolarHBondContact O-CB 3.48Å; P476-V479 PolarHBondContact O-N 3.08Å; P476-V479 VanDerWaalsContact O-N 3.14Å; P476-E480 WeakPolarHBondContact O-CG 3.37Å; P476-E480 PolarHBondContact O-N 3.38Å; P476-E507 HydrophobicContact CG-CB 4.41Å; P476-I508 HydrophobicContact CB-CG1 4.38Å; P476-T511 HydrophobicContact CB-CG2 3.85Å
477A92.8Very high92.2Very high43.5 Ų43.528.5 Ų28.536%0.3617%0.168SC..Hα-helixtrans-64.3-30.1175.300000113.4L442 S475 L481L442-A477 HydrophobicContact CD2-CB 4.25Å; S475-A477 PolarHBondContact O-N 3.02Å; A477-L481 VanDerWaalsContact O-CB 3.3Å; A477-L481 WeakPolarHBondContact O-CB 3.44Å; A477-L481 PolarHBondContact O-N 3.03Å
478M94.5Very high92Very high0.5 Ų0.532.2 Ų32.20%0.00219%0.188CC..Hα-helixtrans-74.4-36.6175.5-65.8166.277.400111.5I437 Q440 L442 M445 S475 P476 L481 L482I437-M478 HydrophobicContact CB-CE 4.22Å; I437-M478 HydrophobicContact CG1-CE 4.27Å; I437-M478 HydrophobicContact CG2-CE 4.22Å; I437-M478 WeakPolarHBondContact O-CE 3.39Å; Q440-M478 HydrophobicContact CB-CE 4.49Å; Q440-M478 HydrophobicContact CB-SD 4.03Å; Q440-M478 HydrophobicContact CG-SD 4.34Å; L442-M478 HydrophobicContact CB-CG 4.27Å; L442-M478 HydrophobicContact CD1-CB 4.48Å; L442-M478 HydrophobicContact CD1-CG 3.72Å; M445-M478 HydrophobicContact CE-CB 3.81Å; M445-M478 VanDerWaalsContact CE-CB 3.48Å; M445-M478 HydrophobicContact CE-CE 3.41Å; M445-M478 VanDerWaalsContact CE-CE 3.41Å; M445-M478 HydrophobicContact CE-CG 3.4Å; M445-M478 VanDerWaalsContact CE-CG 3.4Å; M445-M478 HydrophobicContact CE-SD 4.27Å; M445-M478 HydrophobicContact CG-CE 4.47Å; M445-M478 HydrophobicContact SD-CB 3.86Å; M445-M478 HydrophobicContact SD-CE 3.57Å; M445-M478 WeakPolarHBondContact SD-CE 3.11Å; M445-M478 HydrophobicContact SD-CG 3.73Å; M445-M478 HydrophobicContact SD-SD 4.41Å; S475-M478 PolarHBondContact N-SD 3.03Å; S475-M478 VanDerWaalsContact O-CB 3.3Å; S475-M478 WeakPolarHBondContact O-CB 3.28Å; S475-M478 PolarHBondContact O-N 3.38Å; S475-M478 VanDerWaalsContact OG-CG 3.27Å; S475-M478 WeakPolarHBondContact OG-CG 3.21Å; S475-M478 PolarHBondContact OG-SD 3.27Å; P476-M478 VanDerWaalsContact C-N 3.29Å; P476-M478 PolarHBondContact O-N 3.33Å; M478-L481 PolarHBondContact O-N 3.07Å; M478-L482 WeakPolarHBondContact O-CG 3.5Å; M478-L482 PolarHBondContact O-N 3.12Å; M478-L482 VanDerWaalsContact O-N 3.11Å
479V94.9Very high91.8Very high0 Ų032.8 Ų32.80%019%0.191CC..Hα-helixtrans-66.5-46.6174174.30000110.2L467 A470 S475 P476 L481 L482 C483 I508 T511 L512L467-V479 HydrophobicContact CD1-CB 4.47Å; L467-V479 HydrophobicContact CD1-CG1 3.94Å; A470-V479 HydrophobicContact CB-CG2 3.94Å; S475-V479 PolarHBondContact O-N 3.44Å; P476-V479 WeakPolarHBondContact O-CB 3.48Å; P476-V479 PolarHBondContact O-N 3.08Å; P476-V479 VanDerWaalsContact O-N 3.14Å; V479-L481 VanDerWaalsContact C-N 3.32Å; V479-L481 PolarHBondContact O-N 3.39Å; V479-L482 PolarHBondContact O-N 3.45Å; V479-C483 PolarHBondContact O-N 3.36Å; V479-C483 PolarHBondContact O-SG 3.24Å; V479-C483 VanDerWaalsContact O-SG 3.33Å; V479-I508 HydrophobicContact CG1-CG2 4.46Å; V479-I508 HydrophobicContact CG2-CD1 4.32Å; V479-I508 HydrophobicContact CG2-CG1 4.3Å; V479-I508 HydrophobicContact CG2-CG2 3.97Å; V479-T511 HydrophobicContact CB-CG2 4.28Å; V479-T511 HydrophobicContact CG1-CG2 3.73Å; V479-L512 HydrophobicContact CG1-CD2 3.6Å; V479-L512 HydrophobicContact CG1-CG 4.03Å
480E93.4Very high91.6Very high89.5 Ų89.533 Ų3342%0.41820%0.195SC..Hα-helixtrans-59.9-40.8173.6-72.5178.517900112.2P476 L482 C483 T484 T511P476-E480 WeakPolarHBondContact O-CG 3.37Å; P476-E480 PolarHBondContact O-N 3.38Å; E480-L482 VanDerWaalsContact C-N 3.33Å; E480-L482 PolarHBondContact O-N 2.9Å; E480-C483 PolarHBondContact O-N 3.13Å; E480-T484 WeakPolarHBondContact O-CB 3.29Å; E480-T484 VanDerWaalsContact O-CG2 3.26Å; E480-T484 WeakPolarHBondContact O-CG2 3.37Å; E480-T484 PolarHBondContact O-N 3.25Å; E480-T484 PolarHBondContact O-OG1 3.21Å; E480-T511 HydrophobicContact CG-CG2 3.85Å; E480-T511 WeakPolarHBondContact OE1-CG2 3.42Å
481L92.5Very high91.2Very high24 Ų2435.4 Ų35.413%0.12621%0.208CC..Hα-helixtrans-61-41.5176.3-173.968.3000111.8L442 M445 K446 L449 A477 M478 V479 T484 H485L442-L481 HydrophobicContact CD1-CB 4.47Å; L442-L481 HydrophobicContact CD1-CD2 3.86Å; M445-L481 HydrophobicContact CB-CD2 3.81Å; M445-L481 HydrophobicContact CE-CD2 4.05Å; K446-L481 HydrophobicContact CB-CD2 4.47Å; K446-L481 HydrophobicContact CG-CD1 4.09Å; K446-L481 HydrophobicContact CG-CD2 3.74Å; L449-L481 HydrophobicContact CD1-CD1 4.39Å; L449-L481 HydrophobicContact CD1-CD2 3.77Å; L449-L481 HydrophobicContact CD1-CG 3.71Å; A477-L481 VanDerWaalsContact O-CB 3.3Å; A477-L481 WeakPolarHBondContact O-CB 3.44Å; A477-L481 PolarHBondContact O-N 3.03Å; M478-L481 PolarHBondContact O-N 3.07Å; V479-L481 VanDerWaalsContact C-N 3.32Å; V479-L481 PolarHBondContact O-N 3.39Å; L481-T484 WeakPolarHBondContact CA-OG1 3.26Å; L481-T484 PolarHBondContact O-N 3.01Å; L481-T484 PolarHBondContact O-OG1 3.34Å; L481-T484 VanDerWaalsContact O-OG1 3.1Å; L481-H485 WeakPolarHBondContact O-CB 3.43Å; L481-H485 PolarHBondContact O-CD2 2.83Å; L481-H485 VanDerWaalsContact O-CD2 3.25Å; L481-H485 PolarHBondContact O-N 3.08Å
482L93.2Very high90.6Very high0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-69-43.7175.9-71.8172.5000112F433 M445 L449 V456 L466 L467 A470 M478 V479 E480 T484 H485 G486 A487F433-L482 HydrophobicContact CE1-CD2 3.91Å; F433-L482 HydrophobicContact CZ-CD2 4.01Å; M445-L482 HydrophobicContact CE-CD1 4Å; M445-L482 HydrophobicContact CE-CD2 4.05Å; M445-L482 HydrophobicContact CE-CG 3.84Å; L449-L482 HydrophobicContact CD1-CD2 4.29Å; L449-L482 HydrophobicContact CD2-CD2 4.37Å; V456-L482 HydrophobicContact CG1-CD2 4.05Å; V456-L482 WeakPolarHBondContact CG1-O 3.3Å; L466-L482 HydrophobicContact CB-CD1 4.39Å; L467-L482 HydrophobicContact CD1-CB 3.85Å; L467-L482 HydrophobicContact CD1-CD1 4.08Å; A470-L482 HydrophobicContact CB-CD1 3.62Å; M478-L482 WeakPolarHBondContact O-CG 3.5Å; M478-L482 PolarHBondContact O-N 3.12Å; M478-L482 VanDerWaalsContact O-N 3.11Å; V479-L482 PolarHBondContact O-N 3.45Å; E480-L482 VanDerWaalsContact C-N 3.33Å; E480-L482 PolarHBondContact O-N 2.9Å; L482-T484 PolarHBondContact O-N 2.97Å; L482-H485 CarbonylContact O-C 3.57Å; L482-H485 PolarHBondContact O-N 3.12Å; L482-H485 VanDerWaalsContact O-N 3.16Å; L482-G486 PolarHBondContact O-N 3.08Å; L482-A487 HydrophobicContact CB-CB 3.99Å; L482-A487 VanDerWaalsContact O-CB 3.26Å; L482-A487 WeakPolarHBondContact O-CB 3.26Å; L482-A487 PolarHBondContact O-N 3.21Å
483C92Very high90.1Very high9 Ų939.7 Ų39.76%0.06124%0.237CC..Hα-helixtrans-62.7-42.3177.4-66.40000112.5V479 E480 H485 G486 W515V479-C483 PolarHBondContact O-N 3.36Å; V479-C483 PolarHBondContact O-SG 3.24Å; V479-C483 VanDerWaalsContact O-SG 3.33Å; E480-C483 PolarHBondContact O-N 3.13Å; C483-H485 PolarHBondContact O-N 2.95Å; C483-G486 PolarHBondContact O-N 3.14Å; C483-W515 HydrophobicContact CB-CB 4.42Å; C483-W515 HydrophobicContact CB-CD2 3.45Å; C483-W515 VanDerWaalsContact CB-CD2 3.4Å; C483-W515 HydrophobicContact CB-CE3 3.81Å; C483-W515 HydrophobicContact CB-CG 3.72Å; C483-W515 HydrophobicContact CB-CH2 4.41Å; C483-W515 HydrophobicContact CB-CZ2 4.11Å; C483-W515 HydrophobicContact CB-CZ3 4.27Å
484T91.3Very high89.9Confident86.5 Ų86.539 Ų3953%0.53123%0.232SC..Hα-helixtrans-63.5-25.9175.353.10000113.3E480 L481 L482 G486 W515E480-T484 WeakPolarHBondContact O-CB 3.29Å; E480-T484 VanDerWaalsContact O-CG2 3.26Å; E480-T484 WeakPolarHBondContact O-CG2 3.37Å; E480-T484 PolarHBondContact O-N 3.25Å; E480-T484 PolarHBondContact O-OG1 3.21Å; L481-T484 WeakPolarHBondContact CA-OG1 3.26Å; L481-T484 PolarHBondContact O-N 3.01Å; L481-T484 PolarHBondContact O-OG1 3.34Å; L481-T484 VanDerWaalsContact O-OG1 3.1Å; L482-T484 PolarHBondContact O-N 2.97Å; T484-G486 VanDerWaalsContact C-N 3.34Å; T484-W515 HydrophobicContact CG2-CH2 3.66Å; T484-W515 HydrophobicContact CG2-CZ2 3.65Å
485H88.9Confident89.9Confident84 Ų8439 Ų3939%0.38923%0.231SC..THydrogen-bonded Turntrans-90.910.2174.1-81.7-83.2000113.8L449 V456 L481 L482 C483L449-H485 HydrophobicContact CD2-CB 4.24Å; V456-H485 HydrophobicContact CG1-CB 4.3Å; V456-H485 HydrophobicContact CG2-CB 4.08Å; L481-H485 WeakPolarHBondContact O-CB 3.43Å; L481-H485 PolarHBondContact O-CD2 2.83Å; L481-H485 VanDerWaalsContact O-CD2 3.25Å; L481-H485 PolarHBondContact O-N 3.08Å; L482-H485 CarbonylContact O-C 3.57Å; L482-H485 PolarHBondContact O-N 3.12Å; L482-H485 VanDerWaalsContact O-N 3.16Å; C483-H485 PolarHBondContact O-N 2.95Å
486G87Confident90Very high47 Ų4737.4 Ų37.449%0.48522%0.22SC..THydrogen-bonded Turntrans92.122.8172.300000115.6N457 L482 C483 T484 N488N457-G486 PolarHBondContact ND2-O 3.21Å; L482-G486 PolarHBondContact O-N 3.08Å; C483-G486 PolarHBondContact O-N 3.14Å; T484-G486 VanDerWaalsContact C-N 3.34Å; G486-N488 PolarHBondContact O-N 3.16Å
487A90.2Very high90.1Very high8 Ų835.3 Ų35.37%0.06621%0.207CC..  trans-61.8126.3170.500000111.1V456 L467 L482 V489V456-A487 HydrophobicContact CG1-CB 3.63Å; L467-A487 HydrophobicContact CB-CB 4.45Å; L467-A487 HydrophobicContact CD1-CB 4.39Å; L467-A487 HydrophobicContact CD2-CB 3.94Å; L467-A487 HydrophobicContact CG-CB 4.47Å; L482-A487 HydrophobicContact CB-CB 3.99Å; L482-A487 VanDerWaalsContact O-CB 3.26Å; L482-A487 WeakPolarHBondContact O-CB 3.26Å; L482-A487 PolarHBondContact O-N 3.21Å; A487-V489 PolarHBondContact O-N 2.94Å; A487-V489 VanDerWaalsContact O-N 3.14Å
488N88.9Confident90.1Very high79.5 Ų79.533.2 Ų33.243%0.42519%0.19SC..  trans-73.8106.4173.7-177.2-14.7000109.7N457 G486 N490 L491N457-N488 VanDerWaalsContact OD1-CB 3.26Å; N457-N488 WeakPolarHBondContact OD1-CB 3.22Å; N457-N488 PolarHBondContact OD1-N 3.14Å; G486-N488 PolarHBondContact O-N 3.16Å; N488-N490 PolarHBondContact O-N 2.86Å; N488-N490 PolarHBondContact OD1-N 3.15Å; N488-N490 VanDerWaalsContact OD1-N 3.08Å; N488-L491 HydrophobicContact CB-CB 3.8Å; N488-L491 HydrophobicContact CB-CD2 4.4Å; N488-L491 WeakPolarHBondContact O-CB 3.29Å; N488-L491 PolarHBondContact O-N 3.24Å; N488-L491 VanDerWaalsContact O-N 3.12Å
489V91.2Very high90Very high12 Ų1234.6 Ų34.67%0.07320%0.195CC..THydrogen-bonded Turntrans-60.2-17.1-175.7-161.60000113.4L467 A487 P496 L512 W515 A517L467-V489 HydrophobicContact CD2-CB 4.45Å; L467-V489 HydrophobicContact CD2-CG1 4.4Å; A487-V489 PolarHBondContact O-N 2.94Å; A487-V489 VanDerWaalsContact O-N 3.14Å; V489-P496 VanDerWaalsContact O-CD 3.27Å; V489-P496 WeakPolarHBondContact O-CD 3.37Å; V489-P496 WeakPolarHBondContact O-CG 3.37Å; V489-L512 HydrophobicContact CG1-CB 4.36Å; V489-L512 HydrophobicContact CG1-CD2 3.76Å; V489-W515 HydrophobicContact CG2-CB 3.95Å; V489-W515 WeakPolarHBondContact CG2-O 3.35Å; V489-A517 HydrophobicContact CG1-CB 3.68Å
490N89.6Confident89.9Confident38.5 Ų38.534.6 Ų34.621%0.20620%0.195CC..THydrogen-bonded Turntrans-112.410.4-178.2-64.4-58.7000113.2N488 G516 D518 K521N488-N490 PolarHBondContact O-N 2.86Å; N488-N490 PolarHBondContact OD1-N 3.15Å; N488-N490 VanDerWaalsContact OD1-N 3.08Å; N490-G516 PolarHBondContact ND2-O 3.38Å; N490-D518 PolarHBondContact OD1-N 2.95Å; N490-K521 HydrophobicContact CB-CD 4.36Å; N490-K521 PolarHBondContact O-NZ 3.2Å
491L85.6Confident89.9Confident50 Ų5030.3 Ų30.326%0.26218%0.175SC..  trans-89.1146.2-178.6-174.168.1000112.6N457 M459 T465 N488N457-L491 HydrophobicContact CB-CD2 3.84Å; M459-L491 HydrophobicContact SD-CD1 4.36Å; M459-L491 HydrophobicContact SD-CG 4.17Å; T465-L491 HydrophobicContact CG2-CB 3.95Å; T465-L491 HydrophobicContact CG2-CD2 3.9Å; T465-L491 HydrophobicContact CG2-CG 3.72Å; T465-L491 WeakPolarHBondContact CG2-O 3.31Å; N488-L491 HydrophobicContact CB-CB 3.8Å; N488-L491 HydrophobicContact CB-CD2 4.4Å; N488-L491 WeakPolarHBondContact O-CB 3.29Å; N488-L491 PolarHBondContact O-N 3.24Å; N488-L491 VanDerWaalsContact O-N 3.12Å
492G81.3Confident89.9Confident18 Ų1829.7 Ų29.719%0.18617%0.173CC..SBendtrans119.7162179.500000113.2G463 R494G463-G492 WeakPolarHBondContact O-CA 3.36Å; G492-R494 VanDerWaalsContact C-N 3.27Å; G492-R494 CarbonylContact C-O 3.52Å; G492-R494 PolarHBondContact O-N 3.34Å
493V80.8Confident89.8Confident76.5 Ų76.533.1 Ų33.146%0.46419%0.188SC..SBendtrans-64.7-33.6177.4173.90000111.6G463 V524G463-V493 PolarHBondContact O-N 2.91Å; V493-V524 HydrophobicContact CG1-CG1 4.03Å; V493-V524 HydrophobicContact CG1-CG2 3.63Å
494R87Confident89.7Confident73 Ų7332.8 Ų32.828%0.27519%0.186SC..SBendtrans-119.4145161.8-77.1174.9178.2179.53.8107.4N468 G492 D498 Y499 D523 R532N468-R494 PolarHBondContact ND2-O 2.94Å; N468-R494 PolarHBondContact OD1-O 2.8Å; G492-R494 VanDerWaalsContact C-N 3.27Å; G492-R494 CarbonylContact C-O 3.52Å; G492-R494 PolarHBondContact O-N 3.34Å; R494-D498 HydrophobicContact CB-CB 4.26Å; R494-Y499 HydrophobicContact CB-CD2 4.15Å; R494-Y499 HydrophobicContact CB-CE2 3.49Å; R494-Y499 VanDerWaalsContact CB-CE2 3.44Å; R494-D523 HydrophobicContact CB-CB 4.37Å; R494-D523 HydrophobicContact CG-CB 3.78Å; R494-D523 VanDerWaalsContact CG-OD2 3.28Å; R494-D523 WeakPolarHBondContact CG-OD2 3.48Å; R494-D523 IonicContact NE-OD1 3.16Å; R494-D523 IonicContact NE-OD2 3.09Å; R494-D523 PolarHBondContact NE-OD2 3.1Å; R494-D523 VanDerWaalsContact NE-OD2 3.15Å; R494-R532 VanDerWaalsContact CD-NH1 3.34Å; R494-R532 VanDerWaalsContact NE-NH1 3.11Å
495T90.2Very high89.7Confident2 Ų232.2 Ų32.21%0.01217%0.174CC..  trans-73.2155.4179.666.60000110.9L497 D498 Y499 K521T495-L497 PolarHBondContact O-N 3.36Å; T495-L497 VanDerWaalsContact O-N 3.17Å; T495-L497 PolarHBondContact OG1-N 2.88Å; T495-D498 WeakPolarHBondContact CB-OD2 3.45Å; T495-D498 PolarHBondContact N-OD2 3.46Å; T495-D498 VanDerWaalsContact O-CB 3.31Å; T495-D498 WeakPolarHBondContact O-CB 3.43Å; T495-D498 PolarHBondContact O-N 3.09Å; T495-D498 VanDerWaalsContact OG1-CG 3.27Å; T495-D498 PolarHBondContact OG1-N 3.19Å; T495-D498 VanDerWaalsContact OG1-N 3.11Å; T495-D498 PolarHBondContact OG1-OD2 3.03Å; T495-Y499 WeakPolarHBondContact O-CD2 3.45Å; T495-Y499 PolarHBondContact O-N 3.23Å; T495-K521 HydrophobicContact CG2-CB 4.11Å; T495-K521 HydrophobicContact CG2-CD 3.62Å; T495-K521 HydrophobicContact CG2-CG 3.74Å
496P92.7Very high89.9Confident0 Ų029 Ų290%016%0.161CC..Hα-helixtrans-54.3-32.7170.1-25.430.7000112.6L467 N468 A471 V489 Y499 A500 L512L467-P496 HydrophobicContact CB-CB 4.44Å; L467-P496 HydrophobicContact CB-CG 3.99Å; L467-P496 HydrophobicContact CD2-CB 4.17Å; L467-P496 HydrophobicContact CD2-CG 3.69Å; L467-P496 HydrophobicContact CG-CB 3.93Å; L467-P496 HydrophobicContact CG-CG 3.74Å; N468-P496 WeakPolarHBondContact OD1-CA 3.19Å; N468-P496 WeakPolarHBondContact OD1-CD 3.33Å; N468-P496 VanDerWaalsContact OD1-CG 3.23Å; N468-P496 WeakPolarHBondContact OD1-CG 3.4Å; A471-P496 HydrophobicContact CB-CB 4.18Å; A471-P496 VanDerWaalsContact CB-O 3.25Å; A471-P496 WeakPolarHBondContact CB-O 3.28Å; V489-P496 VanDerWaalsContact O-CD 3.27Å; V489-P496 WeakPolarHBondContact O-CD 3.37Å; V489-P496 WeakPolarHBondContact O-CG 3.37Å; P496-Y499 PolarHBondContact O-N 2.8Å; P496-A500 WeakPolarHBondContact O-CB 3.39Å; P496-A500 PolarHBondContact O-N 3.2Å; P496-L512 HydrophobicContact CB-CD1 3.93Å; P496-L512 HydrophobicContact CB-CD2 3.92Å; P496-L512 WeakPolarHBondContact O-CD1 3.33Å
497L94.1Very high90.2Very high0 Ų032.4 Ų32.40%016%0.163CC..Hα-helixtrans-68.6-36.9177.1-169.762.3000111.9T495 Y499 A500 A501 C509 L512 L513 A517 P529 L549T495-L497 PolarHBondContact O-N 3.36Å; T495-L497 VanDerWaalsContact O-N 3.17Å; T495-L497 PolarHBondContact OG1-N 2.88Å; L497-Y499 VanDerWaalsContact C-N 3.33Å; L497-Y499 PolarHBondContact O-N 3.18Å; L497-A500 PolarHBondContact O-N 3.01Å; L497-A501 WeakPolarHBondContact O-CB 3.31Å; L497-A501 PolarHBondContact O-N 3.37Å; L497-C509 HydrophobicContact CD1-CB 4.15Å; L497-L512 HydrophobicContact CB-CD1 4.47Å; L497-L512 HydrophobicContact CD1-CB 4.3Å; L497-L512 HydrophobicContact CD1-CD1 4.39Å; L497-L513 HydrophobicContact CD1-CD2 4.4Å; L497-L513 HydrophobicContact CD1-CG 4.24Å; L497-L513 HydrophobicContact CD2-CD2 3.83Å; L497-A517 HydrophobicContact CB-CB 4.22Å; L497-A517 HydrophobicContact CD2-CB 3.96Å; L497-P529 HydrophobicContact CB-CB 4.48Å; L497-P529 HydrophobicContact CB-CG 4.3Å; L497-P529 HydrophobicContact CD2-CB 4.14Å; L497-P529 HydrophobicContact CD2-CG 3.97Å; L497-P529 HydrophobicContact CG-CB 3.9Å; L497-P529 HydrophobicContact CG-CG 4.04Å; L497-L549 HydrophobicContact CD1-CD2 4.41Å; L497-L549 HydrophobicContact CD2-CD2 4.2Å
498D92.8Very high90.4Very high0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-59.8-43.1172.2-68.1-59.9000111.8R494 T495 A501 S502 P529 R532R494-D498 HydrophobicContact CB-CB 4.26Å; T495-D498 WeakPolarHBondContact CB-OD2 3.45Å; T495-D498 PolarHBondContact N-OD2 3.46Å; T495-D498 VanDerWaalsContact O-CB 3.31Å; T495-D498 WeakPolarHBondContact O-CB 3.43Å; T495-D498 PolarHBondContact O-N 3.09Å; T495-D498 VanDerWaalsContact OG1-CG 3.27Å; T495-D498 PolarHBondContact OG1-N 3.19Å; T495-D498 VanDerWaalsContact OG1-N 3.11Å; T495-D498 PolarHBondContact OG1-OD2 3.03Å; D498-A501 PolarHBondContact O-N 3.27Å; D498-S502 VanDerWaalsContact O-CB 3.27Å; D498-S502 WeakPolarHBondContact O-CB 3.37Å; D498-S502 PolarHBondContact O-N 2.92Å; D498-S502 PolarHBondContact O-OG 3.05Å; D498-P529 VanDerWaalsContact OD1-CA 3.23Å; D498-P529 WeakPolarHBondContact OD1-CA 3.35Å; D498-P529 WeakPolarHBondContact OD1-CD 3.4Å; D498-P529 VanDerWaalsContact OD1-CG 3.3Å; D498-P529 WeakPolarHBondContact OD1-CG 3.49Å; D498-R532 HydrophobicContact CB-CG 4.35Å; D498-R532 IonicContact OD1-NH1 2.74Å
499Y92.6Very high90.6Very high29 Ų2928.5 Ų28.511%0.11414%0.141CC..Hα-helixtrans-67.5-49.3178.6-77.7-79.3000111.4Q464 N468 S472 R494 T495 P496 L497 A501 S502 F503Q464-Y499 VanDerWaalsContact CD-OH 3.3Å; Q464-Y499 WeakPolarHBondContact CG-OH 3.35Å; Q464-Y499 PolarHBondContact NE2-OH 3.42Å; N468-Y499 HydrophobicContact CB-CD2 3.7Å; N468-Y499 HydrophobicContact CB-CE2 3.73Å; N468-Y499 HydrophobicContact CB-CG 4.43Å; N468-Y499 VanDerWaalsContact CG-CE2 3.45Å; N468-Y499 VanDerWaalsContact ND2-CE2 3.33Å; N468-Y499 WeakPolarHBondContact ND2-CE2 3.31Å; S472-Y499 WeakPolarHBondContact OG-CB 3.39Å; S472-Y499 WeakPolarHBondContact OG-CD1 3.34Å; R494-Y499 HydrophobicContact CB-CD2 4.15Å; R494-Y499 HydrophobicContact CB-CE2 3.49Å; R494-Y499 VanDerWaalsContact CB-CE2 3.44Å; T495-Y499 WeakPolarHBondContact O-CD2 3.45Å; T495-Y499 PolarHBondContact O-N 3.23Å; P496-Y499 PolarHBondContact O-N 2.8Å; L497-Y499 VanDerWaalsContact C-N 3.33Å; L497-Y499 PolarHBondContact O-N 3.18Å; Y499-A501 VanDerWaalsContact C-N 3.26Å; Y499-A501 PolarHBondContact O-N 2.97Å; Y499-S502 PolarHBondContact O-N 3.19Å; Y499-F503 HydrophobicContact CD1-CE2 4.36Å; Y499-F503 WeakPolarHBondContact O-CD2 3.33Å; Y499-F503 PolarHBondContact O-N 3.34Å
500A93.6Very high90.7Very high0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-58-39.9176.700000111.8A471 P496 L497 G504 R505 I508 C509 L512A471-A500 HydrophobicContact CB-CB 4.3Å; P496-A500 WeakPolarHBondContact O-CB 3.39Å; P496-A500 PolarHBondContact O-N 3.2Å; L497-A500 PolarHBondContact O-N 3.01Å; A500-G504 PolarHBondContact O-N 3.44Å; A500-R505 HydrophobicContact CB-CB 4.48Å; A500-R505 PolarHBondContact O-N 3.27Å; A500-I508 HydrophobicContact CB-CB 4.25Å; A500-I508 HydrophobicContact CB-CG2 3.71Å; A500-C509 VanDerWaalsContact CB-SG 3.58Å; A500-L512 HydrophobicContact CB-CD1 3.96Å
501A93.1Very high90.9Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-71.2-40.7177.900000113.3L497 D498 Y499 F503 G504 P529 A533 V545 L549L497-A501 WeakPolarHBondContact O-CB 3.31Å; L497-A501 PolarHBondContact O-N 3.37Å; D498-A501 PolarHBondContact O-N 3.27Å; Y499-A501 VanDerWaalsContact C-N 3.26Å; Y499-A501 PolarHBondContact O-N 2.97Å; A501-F503 PolarHBondContact O-N 3.04Å; A501-G504 PolarHBondContact O-N 2.94Å; A501-G504 VanDerWaalsContact O-N 3.12Å; A501-P529 HydrophobicContact CB-CB 4.33Å; A501-P529 VanDerWaalsContact CB-O 3.26Å; A501-P529 WeakPolarHBondContact CB-O 3.39Å; A501-A533 HydrophobicContact CB-CB 4.27Å; A501-A533 WeakPolarHBondContact O-CA 3.41Å; A501-V545 HydrophobicContact CB-CG1 3.93Å; A501-L549 HydrophobicContact CB-CD1 4.32Å
502S91.2Very high91.3Very high11 Ų1128.4 Ų28.48%0.07714%0.137CC..Hα-helixtrans-59.3-30.9176.7-58.80000112.7D498 Y499 R532 H536 F539D498-S502 VanDerWaalsContact O-CB 3.27Å; D498-S502 WeakPolarHBondContact O-CB 3.37Å; D498-S502 PolarHBondContact O-N 2.92Å; D498-S502 PolarHBondContact O-OG 3.05Å; Y499-S502 PolarHBondContact O-N 3.19Å; S502-R532 WeakPolarHBondContact OG-CB 3.38Å; S502-R532 WeakPolarHBondContact OG-CD 3.31Å; S502-H536 WeakPolarHBondContact O-CB 3.28Å; S502-F539 WeakPolarHBondContact O-CD2 3.38Å; S502-F539 WeakPolarHBondContact O-CE2 3.41Å
503F90.8Very high91.8Very high71.5 Ų71.528.7 Ų28.731%0.31413%0.134SC..THydrogen-bonded Turntrans-101.110.2179.6-65.5-63.9000113.8Y499 A501 R505 F539Y499-F503 HydrophobicContact CD1-CE2 4.36Å; Y499-F503 WeakPolarHBondContact O-CD2 3.33Å; Y499-F503 PolarHBondContact O-N 3.34Å; A501-F503 PolarHBondContact O-N 3.04Å; F503-R505 VanDerWaalsContact C-N 3.26Å; F503-R505 HydrophobicContact CB-CG 4.02Å; F503-R505 PolarHBondContact O-N 3.16Å; F503-F539 HydrophobicContact CD1-CD2 4.5Å; F503-F539 AromaticContact CD1-CE1 3.91Å; F503-F539 HydrophobicContact CD1-CE1 4.11Å; F503-F539 AromaticContact CD1-CE2 3.86Å; F503-F539 HydrophobicContact CD1-CE2 3.86Å; F503-F539 AromaticContact CD1-CZ 3.63Å; F503-F539 HydrophobicContact CD1-CZ 3.63Å; F503-F539 HydrophobicContact CE1-CE2 4.45Å; F503-F539 AromaticContact CE1-CZ 3.99Å; F503-F539 HydrophobicContact CE1-CZ 4.06Å
504G90.4Very high92.3Very high3 Ų331.4 Ų31.43%0.03115%0.146CC..THydrogen-bonded Turntrans65.321.117800000115.3A500 A501 V506 G541A500-G504 PolarHBondContact O-N 3.44Å; A501-G504 PolarHBondContact O-N 2.94Å; A501-G504 VanDerWaalsContact O-N 3.12Å; G504-V506 VanDerWaalsContact C-N 3.35Å; G504-V506 WeakPolarHBondContact O-CG2 3.31Å; G504-V506 PolarHBondContact O-N 3.4Å; G504-G541 CarbonylContact O-C 3.54Å; G504-G541 WeakPolarHBondContact O-CA 3.48Å
505R92.3Very high92.4Very high74 Ų7433.1 Ų33.128%0.27915%0.153SC..  trans-81.976.7-170.8-66.9-178.7166.8-123.9-7.1112.7A471 S472 F473 G474 A500 F503 E507 I508 C509A471-R505 WeakPolarHBondContact O-CD 3.39Å; A471-R505 PolarHBondContact O-NH1 3.05Å; S472-R505 PolarHBondContact O-NE 3.13Å; S472-R505 PolarHBondContact O-NH1 3.26Å; S472-R505 PolarHBondContact O-NH2 3.32Å; F473-R505 PolarHBondContact O-NH1 3.16Å; F473-R505 PolarHBondContact O-NH2 3Å; F473-R505 VanDerWaalsContact O-NH2 3.15Å; G474-R505 PolarHBondContact O-NH1 2.98Å; A500-R505 HydrophobicContact CB-CB 4.48Å; A500-R505 PolarHBondContact O-N 3.27Å; F503-R505 VanDerWaalsContact C-N 3.26Å; F503-R505 HydrophobicContact CB-CG 4.02Å; F503-R505 PolarHBondContact O-N 3.16Å; R505-E507 VanDerWaalsContact C-N 3.33Å; R505-E507 PolarHBondContact O-N 3.26Å; R505-E507 VanDerWaalsContact O-N 3.15Å; R505-I508 HydrophobicContact CB-CB 4.21Å; R505-I508 HydrophobicContact CB-CD1 4.23Å; R505-I508 HydrophobicContact CB-CG1 4.32Å; R505-I508 PolarHBondContact O-N 3.35Å; R505-I508 VanDerWaalsContact O-N 3.08Å; R505-C509 PolarHBondContact O-N 2.98Å; R505-C509 PolarHBondContact O-SG 3.08Å
506V92.4Very high92.3Very high17 Ų1735.3 Ų35.310%0.10318%0.175CC..Hα-helixtrans-48.1-49.9-175.2-173.60000114.1G504 I508 C509 K510 Q544 V545G504-V506 VanDerWaalsContact C-N 3.35Å; G504-V506 WeakPolarHBondContact O-CG2 3.31Å; G504-V506 PolarHBondContact O-N 3.4Å; V506-I508 VanDerWaalsContact C-N 3.33Å; V506-I508 PolarHBondContact O-N 3.41Å; V506-C509 WeakPolarHBondContact O-CB 3.44Å; V506-C509 PolarHBondContact O-N 2.96Å; V506-K510 HydrophobicContact CG1-CD 4.49Å; V506-K510 WeakPolarHBondContact O-CG 3.37Å; V506-K510 PolarHBondContact O-N 3.11Å; V506-Q544 HydrophobicContact CG1-CB 4.33Å; V506-Q544 HydrophobicContact CG2-CB 3.57Å; V506-V545 HydrophobicContact CB-CG2 4.42Å; V506-V545 HydrophobicContact CG2-CG2 3.87Å
507E92.8Very high92.2Very high117 Ų11735.7 Ų35.755%0.54718%0.179SC..Hα-helixtrans-67.1-39.2-176.6-63.3-112.8144.100112.2P476 R505 C509 K510 T511P476-E507 HydrophobicContact CG-CB 4.41Å; R505-E507 VanDerWaalsContact C-N 3.33Å; R505-E507 PolarHBondContact O-N 3.26Å; R505-E507 VanDerWaalsContact O-N 3.15Å; E507-C509 VanDerWaalsContact C-N 3.33Å; E507-C509 PolarHBondContact O-N 3.12Å; E507-K510 WeakPolarHBondContact O-CB 3.41Å; E507-K510 PolarHBondContact O-N 3.49Å; E507-K510 VanDerWaalsContact O-N 3.16Å; E507-K510 IonicContact OE1-NZ 3.63Å; E507-K510 PolarHBondContact OE1-NZ 2.77Å; E507-K510 IonicContact OE2-NZ 3.01Å; E507-T511 WeakPolarHBondContact O-CG2 3.23Å; E507-T511 PolarHBondContact O-N 2.98Å; E507-T511 PolarHBondContact O-OG1 3.29Å
508I94.8Very high91.9Very high5.5 Ų5.539.2 Ų39.23%0.02820%0.197CC..Hα-helixtrans-67.7-38.5175.4-64.9-178.5000110.7A471 G474 P476 V479 A500 R505 V506 K510 T511 L512A471-I508 HydrophobicContact CB-CG2 4.28Å; G474-I508 WeakPolarHBondContact O-CD1 3.34Å; P476-I508 HydrophobicContact CB-CG1 4.38Å; V479-I508 HydrophobicContact CG1-CG2 4.46Å; V479-I508 HydrophobicContact CG2-CD1 4.32Å; V479-I508 HydrophobicContact CG2-CG1 4.3Å; V479-I508 HydrophobicContact CG2-CG2 3.97Å; A500-I508 HydrophobicContact CB-CB 4.25Å; A500-I508 HydrophobicContact CB-CG2 3.71Å; R505-I508 HydrophobicContact CB-CB 4.21Å; R505-I508 HydrophobicContact CB-CD1 4.23Å; R505-I508 HydrophobicContact CB-CG1 4.32Å; R505-I508 PolarHBondContact O-N 3.35Å; R505-I508 VanDerWaalsContact O-N 3.08Å; V506-I508 VanDerWaalsContact C-N 3.33Å; V506-I508 PolarHBondContact O-N 3.41Å; I508-K510 VanDerWaalsContact C-N 3.33Å; I508-K510 PolarHBondContact O-N 3.16Å; I508-T511 WeakPolarHBondContact CA-OG1 3.37Å; I508-T511 PolarHBondContact O-N 3.07Å; I508-T511 PolarHBondContact O-OG1 3.04Å; I508-L512 HydrophobicContact CG2-CD1 3.75Å; I508-L512 HydrophobicContact CG2-CG 4.1Å; I508-L512 WeakPolarHBondContact O-CB 3.25Å; I508-L512 VanDerWaalsContact O-CG 3.27Å; I508-L512 WeakPolarHBondContact O-CG 3.42Å; I508-L512 PolarHBondContact O-N 3.26Å
509C93.9Very high91.7Very high0 Ų040.3 Ų40.30%020%0.203CC..Hα-helixtrans-58.6-45.9172.8-65.10000111L497 A500 R505 V506 E507 T511 L512 L513 L548L497-C509 HydrophobicContact CD1-CB 4.15Å; A500-C509 VanDerWaalsContact CB-SG 3.58Å; R505-C509 PolarHBondContact O-N 2.98Å; R505-C509 PolarHBondContact O-SG 3.08Å; V506-C509 WeakPolarHBondContact O-CB 3.44Å; V506-C509 PolarHBondContact O-N 2.96Å; E507-C509 VanDerWaalsContact C-N 3.33Å; E507-C509 PolarHBondContact O-N 3.12Å; C509-T511 PolarHBondContact O-N 2.71Å; C509-L512 PolarHBondContact O-N 2.81Å; C509-L513 WeakPolarHBondContact O-CB 3.42Å; C509-L513 WeakPolarHBondContact O-CD1 3.23Å; C509-L513 WeakPolarHBondContact O-CG 3.48Å; C509-L513 PolarHBondContact O-N 3.42Å; C509-L548 HydrophobicContact CB-CD2 3.81Å
510K92.7Very high91.3Very high89 Ų8942.7 Ų42.739%0.38722%0.218SC..Hα-helixtrans-59.7-46.1175.8-69.3172.6-176.51660112.1V506 E507 I508 L513 N514 L548V506-K510 HydrophobicContact CG1-CD 4.49Å; V506-K510 WeakPolarHBondContact O-CG 3.37Å; V506-K510 PolarHBondContact O-N 3.11Å; E507-K510 WeakPolarHBondContact O-CB 3.41Å; E507-K510 PolarHBondContact O-N 3.49Å; E507-K510 VanDerWaalsContact O-N 3.16Å; E507-K510 IonicContact OE1-NZ 3.63Å; E507-K510 PolarHBondContact OE1-NZ 2.77Å; E507-K510 IonicContact OE2-NZ 3.01Å; I508-K510 VanDerWaalsContact C-N 3.33Å; I508-K510 PolarHBondContact O-N 3.16Å; K510-L513 PolarHBondContact O-N 3.18Å; K510-N514 WeakPolarHBondContact O-CB 3.45Å; K510-N514 VanDerWaalsContact O-CG 3.25Å; K510-N514 PolarHBondContact O-N 2.98Å; K510-N514 PolarHBondContact O-ND2 2.97Å; K510-L548 HydrophobicContact CG-CD1 4.02Å; K510-L548 HydrophobicContact CG-CD2 3.62Å; K510-L548 HydrophobicContact CG-CG 4.46Å
511T93.2Very high90.9Very high10 Ų1046.3 Ų46.36%0.06123%0.234CC..Hα-helixtrans-61.3-50.1177.8-3.10000111.2P476 V479 E480 E507 I508 C509 L513 N514 W515P476-T511 HydrophobicContact CB-CG2 3.85Å; V479-T511 HydrophobicContact CB-CG2 4.28Å; V479-T511 HydrophobicContact CG1-CG2 3.73Å; E480-T511 HydrophobicContact CG-CG2 3.85Å; E480-T511 WeakPolarHBondContact OE1-CG2 3.42Å; E507-T511 WeakPolarHBondContact O-CG2 3.23Å; E507-T511 PolarHBondContact O-N 2.98Å; E507-T511 PolarHBondContact O-OG1 3.29Å; I508-T511 WeakPolarHBondContact CA-OG1 3.37Å; I508-T511 PolarHBondContact O-N 3.07Å; I508-T511 PolarHBondContact O-OG1 3.04Å; C509-T511 PolarHBondContact O-N 2.71Å; T511-L513 VanDerWaalsContact C-N 3.32Å; T511-L513 PolarHBondContact O-N 3.17Å; T511-N514 WeakPolarHBondContact O-CB 3.42Å; T511-N514 PolarHBondContact O-N 3.12Å; T511-N514 VanDerWaalsContact O-N 3.15Å; T511-W515 VanDerWaalsContact O-CD1 3.23Å; T511-W515 PolarHBondContact O-N 3.2Å
512L94Very high90.4Very high0 Ų050.3 Ų50.30%025%0.252CS..Hα-helixtrans-59.4-41.2179.2-70.6171.6000112.3L467 A471 V479 V489 P496 L497 A500 I508 C509 W515 G516 A517L467-L512 HydrophobicContact CD1-CD2 4.49Å; L467-L512 HydrophobicContact CD2-CD2 4.2Å; L467-L512 HydrophobicContact CG-CD2 4.34Å; A471-L512 HydrophobicContact CB-CD1 4.42Å; V479-L512 HydrophobicContact CG1-CD2 3.6Å; V479-L512 HydrophobicContact CG1-CG 4.03Å; V489-L512 HydrophobicContact CG1-CB 4.36Å; V489-L512 HydrophobicContact CG1-CD2 3.76Å; P496-L512 HydrophobicContact CB-CD1 3.93Å; P496-L512 HydrophobicContact CB-CD2 3.92Å; P496-L512 WeakPolarHBondContact O-CD1 3.33Å; L497-L512 HydrophobicContact CB-CD1 4.47Å; L497-L512 HydrophobicContact CD1-CB 4.3Å; L497-L512 HydrophobicContact CD1-CD1 4.39Å; A500-L512 HydrophobicContact CB-CD1 3.96Å; I508-L512 HydrophobicContact CG2-CD1 3.75Å; I508-L512 HydrophobicContact CG2-CG 4.1Å; I508-L512 WeakPolarHBondContact O-CB 3.25Å; I508-L512 VanDerWaalsContact O-CG 3.27Å; I508-L512 WeakPolarHBondContact O-CG 3.42Å; I508-L512 PolarHBondContact O-N 3.26Å; C509-L512 PolarHBondContact O-N 2.81Å; L512-W515 CarbonylContact O-C 3.54Å; L512-W515 PolarHBondContact O-N 2.91Å; L512-W515 VanDerWaalsContact O-N 3.15Å; L512-G516 PolarHBondContact O-N 3.05Å; L512-A517 HydrophobicContact CB-CB 4.01Å; L512-A517 VanDerWaalsContact O-CB 3.29Å; L512-A517 WeakPolarHBondContact O-CB 3.43Å; L512-A517 PolarHBondContact O-N 3.22Å
513L92.1Very high90Very high25 Ų2550.4 Ų50.413%0.13125%0.252CS..Hα-helixtrans-65.8-39.7176.6-68.6167.5000112.2L497 C509 K510 T511 W515 G516 A517 I519 L548 L549 E552L497-L513 HydrophobicContact CD1-CD2 4.4Å; L497-L513 HydrophobicContact CD1-CG 4.24Å; L497-L513 HydrophobicContact CD2-CD2 3.83Å; C509-L513 WeakPolarHBondContact O-CB 3.42Å; C509-L513 WeakPolarHBondContact O-CD1 3.23Å; C509-L513 WeakPolarHBondContact O-CG 3.48Å; C509-L513 PolarHBondContact O-N 3.42Å; K510-L513 PolarHBondContact O-N 3.18Å; T511-L513 VanDerWaalsContact C-N 3.32Å; T511-L513 PolarHBondContact O-N 3.17Å; L513-W515 PolarHBondContact O-N 3.42Å; L513-G516 PolarHBondContact O-N 2.94Å; L513-G516 VanDerWaalsContact O-N 3.13Å; L513-A517 HydrophobicContact CD2-CB 4.47Å; L513-I519 HydrophobicContact CD2-CD1 3.99Å; L513-I519 HydrophobicContact CD2-CG1 3.34Å; L513-L548 HydrophobicContact CD1-CD2 4.14Å; L513-L548 HydrophobicContact CD1-CG 4.24Å; L513-L549 HydrophobicContact CD1-CD2 4.07Å; L513-L549 HydrophobicContact CD2-CD2 4.36Å; L513-E552 HydrophobicContact CD1-CG 4.21Å
514N91.5Very high89.3Confident132.5 Ų132.551.7 Ų51.771%0.70927%0.266SS*.Hα-helixtrans-63-30.7172.9-71.9-19.2000112.4K510 T511 G516K510-N514 WeakPolarHBondContact O-CB 3.45Å; K510-N514 VanDerWaalsContact O-CG 3.25Å; K510-N514 PolarHBondContact O-N 2.98Å; K510-N514 PolarHBondContact O-ND2 2.97Å; T511-N514 WeakPolarHBondContact O-CB 3.42Å; T511-N514 PolarHBondContact O-N 3.12Å; T511-N514 VanDerWaalsContact O-N 3.15Å; N514-G516 VanDerWaalsContact C-N 3.28Å; N514-G516 PolarHBondContact O-N 3.5Å
515W89.6Confident88.8Confident109.5 Ų109.556 Ų5642%0.41529%0.285SS..THydrogen-bonded Turntrans-85.85.4174.7-75104.7000114.2C483 T484 V489 T511 L512 L513C483-W515 HydrophobicContact CB-CB 4.42Å; C483-W515 HydrophobicContact CB-CD2 3.45Å; C483-W515 VanDerWaalsContact CB-CD2 3.4Å; C483-W515 HydrophobicContact CB-CE3 3.81Å; C483-W515 HydrophobicContact CB-CG 3.72Å; C483-W515 HydrophobicContact CB-CH2 4.41Å; C483-W515 HydrophobicContact CB-CZ2 4.11Å; C483-W515 HydrophobicContact CB-CZ3 4.27Å; T484-W515 HydrophobicContact CG2-CH2 3.66Å; T484-W515 HydrophobicContact CG2-CZ2 3.65Å; V489-W515 HydrophobicContact CG2-CB 3.95Å; V489-W515 WeakPolarHBondContact CG2-O 3.35Å; T511-W515 VanDerWaalsContact O-CD1 3.23Å; T511-W515 PolarHBondContact O-N 3.2Å; L512-W515 CarbonylContact O-C 3.54Å; L512-W515 PolarHBondContact O-N 2.91Å; L512-W515 VanDerWaalsContact O-N 3.15Å; L513-W515 PolarHBondContact O-N 3.42Å
516G87.4Confident88.1Confident47 Ų4753.4 Ų53.449%0.48528%0.281SS..THydrogen-bonded Turntrans87.628.7174.200000115.3N490 L512 L513 N514 D518N490-G516 PolarHBondContact ND2-O 3.38Å; L512-G516 PolarHBondContact O-N 3.05Å; L513-G516 PolarHBondContact O-N 2.94Å; L513-G516 VanDerWaalsContact O-N 3.13Å; N514-G516 VanDerWaalsContact C-N 3.28Å; N514-G516 PolarHBondContact O-N 3.5Å; G516-D518 PolarHBondContact O-N 3.47Å
517A90.2Very high87.8Confident9 Ų955.1 Ų55.17%0.07429%0.286CS..  trans-58.5131.3165.800000111V489 L497 L512 L513 I519V489-A517 HydrophobicContact CG1-CB 3.68Å; L497-A517 HydrophobicContact CB-CB 4.22Å; L497-A517 HydrophobicContact CD2-CB 3.96Å; L512-A517 HydrophobicContact CB-CB 4.01Å; L512-A517 VanDerWaalsContact O-CB 3.29Å; L512-A517 WeakPolarHBondContact O-CB 3.43Å; L512-A517 PolarHBondContact O-N 3.22Å; L513-A517 HydrophobicContact CD2-CB 4.47Å; A517-I519 PolarHBondContact O-N 3.36Å
518D87.6Confident87.6Confident73.5 Ų73.551.9 Ų51.939%0.39327%0.27SS..  trans-78.1111.7177.5-177.41.7000110.5N490 G516 N520 K521N490-D518 PolarHBondContact OD1-N 2.95Å; G516-D518 PolarHBondContact O-N 3.47Å; D518-N520 PolarHBondContact O-N 3.28Å; D518-N520 PolarHBondContact OD1-N 3Å; D518-K521 HydrophobicContact CB-CB 3.96Å; D518-K521 PolarHBondContact O-N 2.92Å
519I89.8Confident87.3Confident22 Ų2251.6 Ų51.611%0.11327%0.268CS..THydrogen-bonded Turntrans-59.8-26.8179.1-60.1158.5000111.9L513 A517 P529 L549 E552 A556L513-I519 HydrophobicContact CD2-CD1 3.99Å; L513-I519 HydrophobicContact CD2-CG1 3.34Å; A517-I519 PolarHBondContact O-N 3.36Å; I519-P529 WeakPolarHBondContact O-CD 3.47Å; I519-L549 HydrophobicContact CG2-CD2 4.43Å; I519-E552 HydrophobicContact CD1-CB 3.83Å; I519-A556 HydrophobicContact CD1-CB 4.09Å
520N84.9Confident87.1Confident80 Ų8053.1 Ų53.143%0.42828%0.276SS..THydrogen-bonded Turntrans-101.9-3.4-173.4-64.2-66.3000113.8D518 Q522 K528D518-N520 PolarHBondContact O-N 3.28Å; D518-N520 PolarHBondContact OD1-N 3Å; N520-Q522 PolarHBondContact O-N 3.21Å; N520-K528 PolarHBondContact OD1-NZ 3.39Å
521K84Confident87Confident76 Ų7650.8 Ų50.833%0.3327%0.268SS..  trans-66.1124.1-177.6-177.8161.2178.6174.70110.2N490 T495 D518 P529N490-K521 HydrophobicContact CB-CD 4.36Å; N490-K521 PolarHBondContact O-NZ 3.2Å; T495-K521 HydrophobicContact CG2-CB 4.11Å; T495-K521 HydrophobicContact CG2-CD 3.62Å; T495-K521 HydrophobicContact CG2-CG 3.74Å; D518-K521 HydrophobicContact CB-CB 3.96Å; D518-K521 PolarHBondContact O-N 2.92Å; K521-P529 WeakPolarHBondContact O-CD 3.23Å
522Q83.4Confident86.8Confident83.5 Ų83.550.4 Ų50.439%0.3927%0.265SS..  trans-93.6143.9179.1-66.8176.36.200110.7N520 G526 R527 K528N520-Q522 PolarHBondContact O-N 3.21Å; Q522-G526 VanDerWaalsContact CD-O 3.23Å; Q522-G526 WeakPolarHBondContact CG-O 3.09Å; Q522-G526 PolarHBondContact NE2-O 3.01Å; Q522-R527 WeakPolarHBondContact CA-O 3.41Å; Q522-K528 HydrophobicContact CG-CG 3.73Å; Q522-K528 VanDerWaalsContact NE2-CE 3.26Å
523D81.2Confident86.5Confident13 Ų1350.4 Ų50.47%0.0727%0.265CS..  trans-84.4-178.4170.37941.4000112.5R494 Q525 G526 R527 R532R494-D523 HydrophobicContact CB-CB 4.37Å; R494-D523 HydrophobicContact CG-CB 3.78Å; R494-D523 VanDerWaalsContact CG-OD2 3.28Å; R494-D523 WeakPolarHBondContact CG-OD2 3.48Å; R494-D523 IonicContact NE-OD1 3.16Å; R494-D523 IonicContact NE-OD2 3.09Å; R494-D523 PolarHBondContact NE-OD2 3.1Å; R494-D523 VanDerWaalsContact NE-OD2 3.15Å; D523-Q525 PolarHBondContact O-N 3.21Å; D523-Q525 WeakPolarHBondContact OD1-CA 3.26Å; D523-Q525 WeakPolarHBondContact OD1-CB 3.44Å; D523-Q525 PolarHBondContact OD1-N 3.31Å; D523-Q525 VanDerWaalsContact OD1-N 3.13Å; D523-Q525 PolarHBondContact OD2-OE1 3.34Å; D523-G526 WeakPolarHBondContact O-CA 3.26Å; D523-G526 PolarHBondContact O-N 3.16Å; D523-R527 PolarHBondContact N-O 3.21Å; D523-R527 PolarHBondContact OD1-N 3.25Å; D523-R527 VanDerWaalsContact OD2-O 3.11Å; D523-R532 IonicContact OD1-CZ 3.91Å; D523-R532 IonicContact OD1-NH1 2.71Å; D523-R532 IonicContact OD1-NH2 3.45Å; D523-R532 PolarHBondContact OD1-NH2 3.43Å; D523-R532 IonicContact OD2-CZ 3.1Å; D523-R532 IonicContact OD2-NH1 3.23Å; D523-R532 PolarHBondContact OD2-NH1 3.16Å; D523-R532 IonicContact OD2-NH2 3.22Å; D523-R532 PolarHBondContact OD2-NH2 3.02Å
524V77.4Confident86.4Confident100 Ų10055.5 Ų55.561%0.60628%0.283SS*.THydrogen-bonded Turntrans-53.3-23-179.9-123.30000114.3V493 G526V493-V524 HydrophobicContact CG1-CG1 4.03Å; V493-V524 HydrophobicContact CG1-CG2 3.63Å; V524-G526 VanDerWaalsContact C-N 3.35Å
525Q78.7Confident86Confident92 Ų9252.3 Ų52.343%0.4326%0.263SS..THydrogen-bonded Turntrans-91.66.3176.6-65136-13.600113.5D523 R527D523-Q525 PolarHBondContact O-N 3.21Å; D523-Q525 WeakPolarHBondContact OD1-CA 3.26Å; D523-Q525 WeakPolarHBondContact OD1-CB 3.44Å; D523-Q525 PolarHBondContact OD1-N 3.31Å; D523-Q525 VanDerWaalsContact OD1-N 3.13Å; D523-Q525 PolarHBondContact OD2-OE1 3.34Å; Q525-R527 HydrophobicContact CB-CG 4.27Å; Q525-R527 VanDerWaalsContact CD-NH2 3.28Å; Q525-R527 PolarHBondContact O-N 2.9Å
526G79.4Confident85.5Confident19 Ų1949.7 Ų49.720%0.19626%0.256CS..SBendtrans70.222.1-179.200000113.7Q522 D523 V524Q522-G526 VanDerWaalsContact CD-O 3.23Å; Q522-G526 WeakPolarHBondContact CG-O 3.09Å; Q522-G526 PolarHBondContact NE2-O 3.01Å; D523-G526 WeakPolarHBondContact O-CA 3.26Å; D523-G526 PolarHBondContact O-N 3.16Å; V524-G526 VanDerWaalsContact C-N 3.35Å
527R84.7Confident85Confident54 Ų5451.8 Ų51.820%0.20426%0.261CS..  trans-103.7139.5-176.8-66.1-174.3-74.3-176.910.3109.7Q522 D523 Q525 D531 E535Q522-R527 WeakPolarHBondContact CA-O 3.41Å; D523-R527 PolarHBondContact N-O 3.21Å; D523-R527 PolarHBondContact OD1-N 3.25Å; D523-R527 VanDerWaalsContact OD2-O 3.11Å; Q525-R527 HydrophobicContact CB-CG 4.27Å; Q525-R527 VanDerWaalsContact CD-NH2 3.28Å; Q525-R527 PolarHBondContact O-N 2.9Å; R527-D531 HydrophobicContact CB-CB 4.26Å; R527-E535 WeakPolarHBondContact CD-OE1 3.22Å; R527-E535 IonicContact CZ-OE1 3.15Å; R527-E535 IonicContact CZ-OE2 3.25Å; R527-E535 IonicContact NE-OE1 3.12Å; R527-E535 PolarHBondContact NE-OE1 3.02Å; R527-E535 IonicContact NH1-OE1 3.59Å; R527-E535 PolarHBondContact NH1-OE1 2.82Å; R527-E535 IonicContact NH1-OE2 3.28Å; R527-E535 PolarHBondContact NH1-OE2 3.13Å; R527-E535 IonicContact NH2-OE2 3.5Å
528K88.7Confident84.5Confident49.5 Ų49.557.5 Ų57.522%0.21529%0.29CS..  trans-87.5160.8175.1-62.7175.9-179.8-179.60109.5N520 Q522 I530 D531 R532N520-K528 PolarHBondContact OD1-NZ 3.39Å; Q522-K528 HydrophobicContact CG-CG 3.73Å; Q522-K528 VanDerWaalsContact NE2-CE 3.26Å; K528-I530 HydrophobicContact CB-CG2 4.01Å; K528-I530 PolarHBondContact O-N 3.11Å; K528-I530 VanDerWaalsContact O-N 3.15Å; K528-D531 WeakPolarHBondContact CB-OD2 3.4Å; K528-D531 PolarHBondContact N-OD2 3.26Å; K528-D531 WeakPolarHBondContact O-CB 3.3Å; K528-D531 PolarHBondContact O-N 3.24Å; K528-R532 PolarHBondContact O-N 3.4Å
529P89Confident84.2Confident0 Ų057.5 Ų57.50%029%0.287CS..Hα-helixtrans-55.1-31.3176.8-28.233000114.2L497 D498 A501 I519 K521 D531 R532 A533 L549L497-P529 HydrophobicContact CB-CB 4.48Å; L497-P529 HydrophobicContact CB-CG 4.3Å; L497-P529 HydrophobicContact CD2-CB 4.14Å; L497-P529 HydrophobicContact CD2-CG 3.97Å; L497-P529 HydrophobicContact CG-CB 3.9Å; L497-P529 HydrophobicContact CG-CG 4.04Å; D498-P529 VanDerWaalsContact OD1-CA 3.23Å; D498-P529 WeakPolarHBondContact OD1-CA 3.35Å; D498-P529 WeakPolarHBondContact OD1-CD 3.4Å; D498-P529 VanDerWaalsContact OD1-CG 3.3Å; D498-P529 WeakPolarHBondContact OD1-CG 3.49Å; A501-P529 HydrophobicContact CB-CB 4.33Å; A501-P529 VanDerWaalsContact CB-O 3.26Å; A501-P529 WeakPolarHBondContact CB-O 3.39Å; I519-P529 WeakPolarHBondContact O-CD 3.47Å; K521-P529 WeakPolarHBondContact O-CD 3.23Å; P529-D531 VanDerWaalsContact C-N 3.34Å; P529-D531 PolarHBondContact O-N 3.38Å; P529-R532 WeakPolarHBondContact O-CB 3.44Å; P529-R532 PolarHBondContact O-N 3.3Å; P529-A533 PolarHBondContact O-N 3.09Å; P529-L549 HydrophobicContact CB-CD1 4.2Å
530I90.2Very high83.6Confident31 Ų3162.5 Ų62.516%0.15932%0.321CS..Hα-helixtrans-66.2-35.6175-171.4170.6000112.8K528 R532 A533 R534 I546 L549 E550K528-I530 HydrophobicContact CB-CG2 4.01Å; K528-I530 PolarHBondContact O-N 3.11Å; K528-I530 VanDerWaalsContact O-N 3.15Å; I530-R532 VanDerWaalsContact C-N 3.28Å; I530-R532 PolarHBondContact O-N 2.98Å; I530-A533 PolarHBondContact O-N 3.06Å; I530-R534 WeakPolarHBondContact O-CG 3.11Å; I530-R534 PolarHBondContact O-N 3.33Å; I530-R534 VanDerWaalsContact O-N 3.13Å; I530-I546 HydrophobicContact CD1-CG2 4.45Å; I530-I546 HydrophobicContact CG1-CG2 4.46Å; I530-L549 HydrophobicContact CB-CB 4.4Å; I530-L549 HydrophobicContact CB-CD1 4.17Å; I530-E550 HydrophobicContact CD1-CG 3.45Å; I530-E550 VanDerWaalsContact CD1-CG 3.45Å
531D90Very high83.6Confident40.5 Ų40.559.5 Ų59.522%0.21731%0.308CS..Hα-helixtrans-68.5-34.1178.4-53.9-43.1000110.2R527 K528 P529 R534 E535R527-D531 HydrophobicContact CB-CB 4.26Å; K528-D531 WeakPolarHBondContact CB-OD2 3.4Å; K528-D531 PolarHBondContact N-OD2 3.26Å; K528-D531 WeakPolarHBondContact O-CB 3.3Å; K528-D531 PolarHBondContact O-N 3.24Å; P529-D531 VanDerWaalsContact C-N 3.34Å; P529-D531 PolarHBondContact O-N 3.38Å; D531-R534 CarbonylContact O-C 3.59Å; D531-R534 PolarHBondContact O-N 3.28Å; D531-E535 WeakPolarHBondContact O-CG 3.37Å; D531-E535 PolarHBondContact O-N 3.19Å; D531-E535 VanDerWaalsContact O-N 3.08Å
532R88.2Confident83.8Confident2 Ų256 Ų561%0.00829%0.293CS..Hα-helixtrans-65-41.4174.7-72.8-73.2155.2648.5113.6R494 D498 S502 D523 K528 P529 I530 R534 E535R494-R532 VanDerWaalsContact CD-NH1 3.34Å; R494-R532 VanDerWaalsContact NE-NH1 3.11Å; D498-R532 HydrophobicContact CB-CG 4.35Å; D498-R532 IonicContact OD1-NH1 2.74Å; S502-R532 WeakPolarHBondContact OG-CB 3.38Å; S502-R532 WeakPolarHBondContact OG-CD 3.31Å; D523-R532 IonicContact OD1-CZ 3.91Å; D523-R532 IonicContact OD1-NH1 2.71Å; D523-R532 IonicContact OD1-NH2 3.45Å; D523-R532 PolarHBondContact OD1-NH2 3.43Å; D523-R532 IonicContact OD2-CZ 3.1Å; D523-R532 IonicContact OD2-NH1 3.23Å; D523-R532 PolarHBondContact OD2-NH1 3.16Å; D523-R532 IonicContact OD2-NH2 3.22Å; D523-R532 PolarHBondContact OD2-NH2 3.02Å; K528-R532 PolarHBondContact O-N 3.4Å; P529-R532 WeakPolarHBondContact O-CB 3.44Å; P529-R532 PolarHBondContact O-N 3.3Å; I530-R532 VanDerWaalsContact C-N 3.28Å; I530-R532 PolarHBondContact O-N 2.98Å; R532-R534 VanDerWaalsContact C-N 3.32Å; R532-R534 PolarHBondContact O-N 2.93Å; R532-E535 IonicContact NE-OE2 3.86Å; R532-E535 PolarHBondContact O-N 2.77Å
533A89.2Confident84Confident0 Ų057.7 Ų57.70%030%0.302CS..Hα-helixtrans-64.1-33.8173.700000111.8A501 P529 I530 H536 V545 I546A501-A533 HydrophobicContact CB-CB 4.27Å; A501-A533 WeakPolarHBondContact O-CA 3.41Å; P529-A533 PolarHBondContact O-N 3.09Å; I530-A533 PolarHBondContact O-N 3.06Å; A533-H536 CarbonylContact O-C 3.57Å; A533-H536 PolarHBondContact O-N 2.66Å; A533-V545 HydrophobicContact CB-CB 4.35Å; A533-V545 HydrophobicContact CB-CG1 3.92Å; A533-I546 HydrophobicContact CB-CD1 4.38Å; A533-I546 HydrophobicContact CB-CG1 3.7Å
534R88.8Confident84.4Confident131.5 Ų131.562.8 Ų62.850%0.49633%0.325SS..Hα-helixtrans-74-28.1177.4-70.2171.7174.6-174.8-2.1113.7I530 D531 R532 H536 I546 E550I530-R534 WeakPolarHBondContact O-CG 3.11Å; I530-R534 PolarHBondContact O-N 3.33Å; I530-R534 VanDerWaalsContact O-N 3.13Å; D531-R534 CarbonylContact O-C 3.59Å; D531-R534 PolarHBondContact O-N 3.28Å; R532-R534 VanDerWaalsContact C-N 3.32Å; R532-R534 PolarHBondContact O-N 2.93Å; R534-H536 VanDerWaalsContact C-N 3.31Å; R534-I546 HydrophobicContact CG-CD1 3.64Å; R534-I546 HydrophobicContact CG-CG1 4.05Å; R534-E550 IonicContact CZ-OE1 3.07Å; R534-E550 IonicContact NH2-OE1 3.37Å; R534-E550 PolarHBondContact NH2-OE1 3.36Å
535E83.3Confident85.1Confident64.5 Ų64.558 Ų5830%0.30130%0.296SS..Hα-helixtrans-70.3-26176-85.2174.6-147.700113.8R527 D531 R532 P537 R1190 R1193R527-E535 WeakPolarHBondContact CD-OE1 3.22Å; R527-E535 IonicContact CZ-OE1 3.15Å; R527-E535 IonicContact CZ-OE2 3.25Å; R527-E535 IonicContact NE-OE1 3.12Å; R527-E535 PolarHBondContact NE-OE1 3.02Å; R527-E535 IonicContact NH1-OE1 3.59Å; R527-E535 PolarHBondContact NH1-OE1 2.82Å; R527-E535 IonicContact NH1-OE2 3.28Å; R527-E535 PolarHBondContact NH1-OE2 3.13Å; R527-E535 IonicContact NH2-OE2 3.5Å; D531-E535 WeakPolarHBondContact O-CG 3.37Å; D531-E535 PolarHBondContact O-N 3.19Å; D531-E535 VanDerWaalsContact O-N 3.08Å; R532-E535 IonicContact NE-OE2 3.86Å; R532-E535 PolarHBondContact O-N 2.77Å; E535-P537 VanDerWaalsContact C-CD 3.47Å; E535-P537 WeakPolarHBondContact O-CD 3.42Å; E535-R1190 PolarHBondContact O-NH2 3.49Å; E535-R1193 IonicContact OE2-CZ 3.16Å; E535-R1193 IonicContact OE2-NE 3.6Å; E535-R1193 IonicContact OE2-NH2 2.92Å; E535-R1193 PolarHBondContact OE2-NH2 2.87Å
536H79.6Confident85.6Confident56 Ų5654.5 Ų54.526%0.25928%0.28SS..  trans-124.270.4-177.6-68.8-75.6000111.9S502 A533 R534 D538 F539 S542 R1193S502-H536 WeakPolarHBondContact O-CB 3.28Å; A533-H536 CarbonylContact O-C 3.57Å; A533-H536 PolarHBondContact O-N 2.66Å; R534-H536 VanDerWaalsContact C-N 3.31Å; H536-D538 PolarHBondContact O-N 2.99Å; H536-D538 VanDerWaalsContact O-N 3.16Å; H536-F539 HydrophobicContact CB-CD2 3.7Å; H536-F539 HydrophobicContact CB-CE2 3.92Å; H536-F539 AromaticContact CG-CE2 3.85Å; H536-F539 AromaticContact ND1-CE2 3.51Å; H536-S542 VanDerWaalsContact O-CB 3.24Å; H536-S542 WeakPolarHBondContact O-CB 3.39Å; H536-S542 PolarHBondContact O-OG 3.36Å; H536-R1193 PolarHBondContact CE1-NH1 3.29Å; H536-R1193 PolarHBondContact NE2-NH1 3.44Å; H536-R1193 PolarHBondContact NE2-NH2 3.25Å
537P77Confident86.1Confident91.5 Ų91.557.5 Ų57.559%0.59429%0.292SS*.THydrogen-bonded Turntrans-65.5-16.2172.930.5-35.9000112.6E535 F539E535-P537 VanDerWaalsContact C-CD 3.47Å; E535-P537 WeakPolarHBondContact O-CD 3.42Å; P537-F539 VanDerWaalsContact C-N 3.26Å; P537-F539 PolarHBondContact O-N 3.12Å
538D79.3Confident86.4Confident128.5 Ų128.556.2 Ų56.269%0.68729%0.288SS*.THydrogen-bonded Turntrans-67.3-17.8-175.7-50.9-45.4000113.7H536 R1190H536-D538 PolarHBondContact O-N 2.99Å; H536-D538 VanDerWaalsContact O-N 3.16Å; D538-R1190 IonicContact OD2-NH1 2.73Å
539F81.3Confident86.5Confident74 Ų7453.9 Ų53.933%0.32528%0.279SS..SBendtrans-87134.1179.3-68.1-66.8000112.6S502 F503 H536 P537 G541 S542S502-F539 WeakPolarHBondContact O-CD2 3.38Å; S502-F539 WeakPolarHBondContact O-CE2 3.41Å; F503-F539 HydrophobicContact CD1-CD2 4.5Å; F503-F539 AromaticContact CD1-CE1 3.91Å; F503-F539 HydrophobicContact CD1-CE1 4.11Å; F503-F539 AromaticContact CD1-CE2 3.86Å; F503-F539 HydrophobicContact CD1-CE2 3.86Å; F503-F539 AromaticContact CD1-CZ 3.63Å; F503-F539 HydrophobicContact CD1-CZ 3.63Å; F503-F539 HydrophobicContact CE1-CE2 4.45Å; F503-F539 AromaticContact CE1-CZ 3.99Å; F503-F539 HydrophobicContact CE1-CZ 4.06Å; H536-F539 HydrophobicContact CB-CD2 3.7Å; H536-F539 HydrophobicContact CB-CE2 3.92Å; H536-F539 AromaticContact CG-CE2 3.85Å; H536-F539 AromaticContact ND1-CE2 3.51Å; P537-F539 VanDerWaalsContact C-N 3.26Å; P537-F539 PolarHBondContact O-N 3.12Å; F539-G541 PolarHBondContact O-N 3.03Å; F539-S542 PolarHBondContact O-N 3.08Å; F539-S542 VanDerWaalsContact O-N 3.14Å; F539-S542 PolarHBondContact O-OG 2.86Å
540P76.7Confident86.4Confident126 Ų12656.7 Ų56.782%0.81829%0.291SS*.THydrogen-bonded Turntrans-65.1110.3175.927.3-33.3000109.9
541G86Confident86.2Confident16.5 Ų16.558.1 Ų58.117%0.1730%0.304CS..THydrogen-bonded Turntrans119.3-12.5-178.100000114.7G504 F539 Q543 Q544 V545G504-G541 CarbonylContact O-C 3.54Å; G504-G541 WeakPolarHBondContact O-CA 3.48Å; F539-G541 PolarHBondContact O-N 3.03Å; G541-Q543 VanDerWaalsContact C-N 3.31Å; G541-Q543 PolarHBondContact O-N 2.79Å; G541-Q544 WeakPolarHBondContact O-CA 3.34Å; G541-Q544 WeakPolarHBondContact O-CB 3.25Å; G541-Q544 PolarHBondContact O-N 2.79Å; G541-V545 WeakPolarHBondContact O-CG2 3.45Å; G541-V545 PolarHBondContact O-N 3.29Å
542S87.5Confident85.9Confident2 Ų258.1 Ų58.11%0.01430%0.303CS..Hα-helixtrans-55.7-41.8-179.5-64.60000113.3H536 F539 Q544 V545 I546H536-S542 VanDerWaalsContact O-CB 3.24Å; H536-S542 WeakPolarHBondContact O-CB 3.39Å; H536-S542 PolarHBondContact O-OG 3.36Å; F539-S542 PolarHBondContact O-N 3.08Å; F539-S542 VanDerWaalsContact O-N 3.14Å; F539-S542 PolarHBondContact O-OG 2.86Å; S542-Q544 PolarHBondContact O-N 3.38Å; S542-V545 PolarHBondContact O-N 2.88Å; S542-I546 WeakPolarHBondContact O-CG1 3.29Å; S542-I546 PolarHBondContact O-N 3.22Å
543Q87.9Confident85.5Confident120.5 Ų120.560.4 Ų60.456%0.56332%0.319SS*.Hα-helixtrans-61.8-44.3174.8-172.960.743.400112.2G541 V545 I546 D547G541-Q543 VanDerWaalsContact C-N 3.31Å; G541-Q543 PolarHBondContact O-N 2.79Å; Q543-V545 VanDerWaalsContact C-N 3.28Å; Q543-V545 PolarHBondContact O-N 3.38Å; Q543-I546 WeakPolarHBondContact O-CB 3.47Å; Q543-I546 PolarHBondContact O-N 3.23Å; Q543-D547 PolarHBondContact NE2-OD1 2.86Å; Q543-D547 VanDerWaalsContact NE2-OD1 3.16Å; Q543-D547 PolarHBondContact O-N 2.93Å
544Q89.2Confident84.8Confident120 Ų12067.4 Ų67.456%0.56135%0.35SS*.Hα-helixtrans-65.7-31.3177.9-64.7177.924.300112.1V506 G541 S542 L548V506-Q544 HydrophobicContact CG1-CB 4.33Å; V506-Q544 HydrophobicContact CG2-CB 3.57Å; G541-Q544 WeakPolarHBondContact O-CA 3.34Å; G541-Q544 WeakPolarHBondContact O-CB 3.25Å; G541-Q544 PolarHBondContact O-N 2.79Å; S542-Q544 PolarHBondContact O-N 3.38Å; Q544-L548 WeakPolarHBondContact O-CB 3.44Å; Q544-L548 PolarHBondContact O-N 3.37Å
545V91.8Very high83.9Confident0 Ų066.6 Ų66.60%035%0.347CS..Hα-helixtrans-68-42.2171.2173.90000111A501 V506 A533 G541 S542 Q543 L548 L549A501-V545 HydrophobicContact CB-CG1 3.93Å; V506-V545 HydrophobicContact CB-CG2 4.42Å; V506-V545 HydrophobicContact CG2-CG2 3.87Å; A533-V545 HydrophobicContact CB-CB 4.35Å; A533-V545 HydrophobicContact CB-CG1 3.92Å; G541-V545 WeakPolarHBondContact O-CG2 3.45Å; G541-V545 PolarHBondContact O-N 3.29Å; S542-V545 PolarHBondContact O-N 2.88Å; Q543-V545 VanDerWaalsContact C-N 3.28Å; Q543-V545 PolarHBondContact O-N 3.38Å; V545-L548 PolarHBondContact O-N 3.2Å; V545-L549 HydrophobicContact CG1-CD1 3.7Å; V545-L549 HydrophobicContact CG1-CG 4.12Å; V545-L549 WeakPolarHBondContact O-CB 3.43Å; V545-L549 VanDerWaalsContact O-CG 3.3Å; V545-L549 WeakPolarHBondContact O-CG 3.46Å; V545-L549 PolarHBondContact O-N 3.22Å
546I90.3Very high82.7Confident17.5 Ų17.565.6 Ų65.69%0.0935%0.35CS..Hα-helixtrans-60.8-50.1175.8-66.3162.6000109.7I530 A533 R534 S542 Q543 L548 L549 E550I530-I546 HydrophobicContact CD1-CG2 4.45Å; I530-I546 HydrophobicContact CG1-CG2 4.46Å; A533-I546 HydrophobicContact CB-CD1 4.38Å; A533-I546 HydrophobicContact CB-CG1 3.7Å; R534-I546 HydrophobicContact CG-CD1 3.64Å; R534-I546 HydrophobicContact CG-CG1 4.05Å; S542-I546 WeakPolarHBondContact O-CG1 3.29Å; S542-I546 PolarHBondContact O-N 3.22Å; Q543-I546 WeakPolarHBondContact O-CB 3.47Å; Q543-I546 PolarHBondContact O-N 3.23Å; I546-L548 VanDerWaalsContact C-N 3.3Å; I546-L548 PolarHBondContact O-N 2.91Å; I546-L549 PolarHBondContact O-N 3.31Å; I546-E550 HydrophobicContact CG2-CG 4.35Å; I546-E550 WeakPolarHBondContact O-CB 3.32Å; I546-E550 WeakPolarHBondContact O-CG 3.34Å; I546-E550 PolarHBondContact O-N 3.03Å
547D89.9Confident81.2Confident82.5 Ų82.565.9 Ų65.944%0.44137%0.367SS..Hα-helixtrans-59.5-41.2178.6-59.1-22.2000111.6Q543 S551Q543-D547 PolarHBondContact NE2-OD1 2.86Å; Q543-D547 VanDerWaalsContact NE2-OD1 3.16Å; Q543-D547 PolarHBondContact O-N 2.93Å; D547-S551 VanDerWaalsContact O-CB 3.32Å; D547-S551 WeakPolarHBondContact O-CB 3.27Å; D547-S551 PolarHBondContact O-N 2.98Å; D547-S551 PolarHBondContact O-OG 3.12Å
548L91.1Very high79.6Confident26.5 Ų26.570.6 Ų70.614%0.13938%0.379CS..Hα-helixtrans-63.1-52.3175.3178.169.7000111.7C509 K510 L513 Q544 V545 I546 E550 S551 E552C509-L548 HydrophobicContact CB-CD2 3.81Å; K510-L548 HydrophobicContact CG-CD1 4.02Å; K510-L548 HydrophobicContact CG-CD2 3.62Å; K510-L548 HydrophobicContact CG-CG 4.46Å; L513-L548 HydrophobicContact CD1-CD2 4.14Å; L513-L548 HydrophobicContact CD1-CG 4.24Å; Q544-L548 WeakPolarHBondContact O-CB 3.44Å; Q544-L548 PolarHBondContact O-N 3.37Å; V545-L548 PolarHBondContact O-N 3.2Å; I546-L548 VanDerWaalsContact C-N 3.3Å; I546-L548 PolarHBondContact O-N 2.91Å; L548-E550 VanDerWaalsContact C-N 3.34Å; L548-E550 PolarHBondContact O-N 3.13Å; L548-S551 PolarHBondContact O-N 3.23Å; L548-S551 PolarHBondContact O-OG 3.19Å; L548-E552 HydrophobicContact CD1-CG 4.3Å; L548-E552 VanDerWaalsContact O-CB 3.26Å; L548-E552 WeakPolarHBondContact O-CB 3.4Å; L548-E552 WeakPolarHBondContact O-CG 3.44Å; L548-E552 PolarHBondContact O-N 3.19Å
549L89.7Confident77.7Confident1.5 Ų1.573 Ų731%0.00838%0.378CS..Hα-helixtrans-66.6-35.4-178.1-70175000111.9L497 A501 L513 I519 P529 I530 V545 I546 S553L497-L549 HydrophobicContact CD1-CD2 4.41Å; L497-L549 HydrophobicContact CD2-CD2 4.2Å; A501-L549 HydrophobicContact CB-CD1 4.32Å; L513-L549 HydrophobicContact CD1-CD2 4.07Å; L513-L549 HydrophobicContact CD2-CD2 4.36Å; I519-L549 HydrophobicContact CG2-CD2 4.43Å; P529-L549 HydrophobicContact CB-CD1 4.2Å; I530-L549 HydrophobicContact CB-CB 4.4Å; I530-L549 HydrophobicContact CB-CD1 4.17Å; V545-L549 HydrophobicContact CG1-CD1 3.7Å; V545-L549 HydrophobicContact CG1-CG 4.12Å; V545-L549 WeakPolarHBondContact O-CB 3.43Å; V545-L549 VanDerWaalsContact O-CG 3.3Å; V545-L549 WeakPolarHBondContact O-CG 3.46Å; V545-L549 PolarHBondContact O-N 3.22Å; I546-L549 PolarHBondContact O-N 3.31Å; L549-S553 WeakPolarHBondContact O-CB 3.45Å; L549-S553 PolarHBondContact O-N 3.41Å
550E88Confident75.5Confident58 Ų5872.7 Ų72.727%0.27140%0.396SS..Hα-helixtrans-67.2-42.8173.4-75.3-165-167.900112.3I530 R534 I546 L548 K554I530-E550 HydrophobicContact CD1-CG 3.45Å; I530-E550 VanDerWaalsContact CD1-CG 3.45Å; R534-E550 IonicContact CZ-OE1 3.07Å; R534-E550 IonicContact NH2-OE1 3.37Å; R534-E550 PolarHBondContact NH2-OE1 3.36Å; I546-E550 HydrophobicContact CG2-CG 4.35Å; I546-E550 WeakPolarHBondContact O-CB 3.32Å; I546-E550 WeakPolarHBondContact O-CG 3.34Å; I546-E550 PolarHBondContact O-N 3.03Å; L548-E550 VanDerWaalsContact C-N 3.34Å; L548-E550 PolarHBondContact O-N 3.13Å; E550-K554 WeakPolarHBondContact O-CB 3.1Å; E550-K554 WeakPolarHBondContact O-CD 3.41Å; E550-K554 WeakPolarHBondContact O-CE 3.35Å; E550-K554 VanDerWaalsContact O-CG 3.28Å; E550-K554 WeakPolarHBondContact O-CG 3.32Å; E550-K554 PolarHBondContact O-N 2.91Å; E550-K554 VanDerWaalsContact O-N 3.08Å; E550-K554 IonicContact OE2-NZ 3.96Å; E550-K554 PolarHBondContact OE2-NZ 2.98Å
551S85.9Confident73.5Confident60.5 Ų60.574.7 Ų74.742%0.42340%0.399SS..Hα-helixtrans-67.4-40.1177.663.90000112.3D547 L548 K554 R555D547-S551 VanDerWaalsContact O-CB 3.32Å; D547-S551 WeakPolarHBondContact O-CB 3.27Å; D547-S551 PolarHBondContact O-N 2.98Å; D547-S551 PolarHBondContact O-OG 3.12Å; L548-S551 PolarHBondContact O-N 3.23Å; L548-S551 PolarHBondContact O-OG 3.19Å; S551-K554 PolarHBondContact O-N 3.26Å; S551-R555 WeakPolarHBondContact O-CB 3.45Å; S551-R555 PolarHBondContact O-N 3.22Å
552E83.3Confident70.8Confident40 Ų4078.9 Ų78.919%0.18743%0.426CS..Hα-helixtrans-71.2-37.2176.3-76.2-64.2137.400112.5L513 I519 L548 K554 R555 A556L513-E552 HydrophobicContact CD1-CG 4.21Å; I519-E552 HydrophobicContact CD1-CB 3.83Å; L548-E552 HydrophobicContact CD1-CG 4.3Å; L548-E552 VanDerWaalsContact O-CB 3.26Å; L548-E552 WeakPolarHBondContact O-CB 3.4Å; L548-E552 WeakPolarHBondContact O-CG 3.44Å; L548-E552 PolarHBondContact O-N 3.19Å; E552-K554 PolarHBondContact O-N 3.28Å; E552-R555 VanDerWaalsContact CD-NE 3.32Å; E552-R555 CarbonylContact O-C 3.56Å; E552-R555 WeakPolarHBondContact O-CA 3.49Å; E552-R555 WeakPolarHBondContact O-CB 3.33Å; E552-R555 PolarHBondContact O-N 3.17Å; E552-R555 VanDerWaalsContact O-N 3.08Å; E552-R555 IonicContact OE1-CZ 2.72Å; E552-R555 IonicContact OE1-NE 3.04Å; E552-R555 PolarHBondContact OE1-NE 3.41Å; E552-R555 VanDerWaalsContact OE1-NE 3.09Å; E552-R555 IonicContact OE1-NH2 2.98Å; E552-R555 PolarHBondContact OE1-NH2 2.84Å; E552-R555 IonicContact OE2-CZ 2.99Å; E552-R555 VanDerWaalsContact OE2-CZ 3.28Å; E552-R555 IonicContact OE2-NE 2.96Å; E552-R555 PolarHBondContact OE2-NE 3.16Å; E552-R555 IonicContact OE2-NH1 2.73Å; E552-R555 IonicContact OE2-NH2 3.28Å; E552-R555 PolarHBondContact OE2-NH2 3.16Å; E552-A556 WeakPolarHBondContact O-CB 3.16Å; E552-A556 PolarHBondContact O-N 2.98Å
553S79.1Confident68.1Low50 Ų5084.1 Ų84.135%0.3546%0.462SS..Hα-helixtrans-61-45.2172.4-176.80000111.6L549 R555 A556 G557L549-S553 WeakPolarHBondContact O-CB 3.45Å; L549-S553 PolarHBondContact O-N 3.41Å; S553-R555 VanDerWaalsContact C-N 3.35Å; S553-R555 PolarHBondContact O-N 3.42Å; S553-A556 PolarHBondContact O-N 2.89Å; S553-G557 PolarHBondContact O-N 3.25Å; S553-G557 VanDerWaalsContact O-N 3.1Å
554K76.2Confident65.3Low148 Ų14888.1 Ų88.164%0.64348%0.477SS*.Hα-helixtrans-61.4-35.7173.6-69.7163.9-167.6166.10111.9E550 S551 E552 F558E550-K554 WeakPolarHBondContact O-CB 3.1Å; E550-K554 WeakPolarHBondContact O-CD 3.41Å; E550-K554 WeakPolarHBondContact O-CE 3.35Å; E550-K554 VanDerWaalsContact O-CG 3.28Å; E550-K554 WeakPolarHBondContact O-CG 3.32Å; E550-K554 PolarHBondContact O-N 2.91Å; E550-K554 VanDerWaalsContact O-N 3.08Å; E550-K554 IonicContact OE2-NZ 3.96Å; E550-K554 PolarHBondContact OE2-NZ 2.98Å; S551-K554 PolarHBondContact O-N 3.26Å; E552-K554 PolarHBondContact O-N 3.28Å; K554-F558 PolarHBondContact O-N 3.02Å
555R70Confident62.4Low115 Ų11589.8 Ų89.843%0.43449%0.489SS..Hα-helixtrans-74.2-36.5177.4-167.5172.973.393-9.4113.3S551 E552 S553 F558 R559S551-R555 WeakPolarHBondContact O-CB 3.45Å; S551-R555 PolarHBondContact O-N 3.22Å; E552-R555 VanDerWaalsContact CD-NE 3.32Å; E552-R555 CarbonylContact O-C 3.56Å; E552-R555 WeakPolarHBondContact O-CA 3.49Å; E552-R555 WeakPolarHBondContact O-CB 3.33Å; E552-R555 PolarHBondContact O-N 3.17Å; E552-R555 VanDerWaalsContact O-N 3.08Å; E552-R555 IonicContact OE1-CZ 2.72Å; E552-R555 IonicContact OE1-NE 3.04Å; E552-R555 PolarHBondContact OE1-NE 3.41Å; E552-R555 VanDerWaalsContact OE1-NE 3.09Å; E552-R555 IonicContact OE1-NH2 2.98Å; E552-R555 PolarHBondContact OE1-NH2 2.84Å; E552-R555 IonicContact OE2-CZ 2.99Å; E552-R555 VanDerWaalsContact OE2-CZ 3.28Å; E552-R555 IonicContact OE2-NE 2.96Å; E552-R555 PolarHBondContact OE2-NE 3.16Å; E552-R555 IonicContact OE2-NH1 2.73Å; E552-R555 IonicContact OE2-NH2 3.28Å; E552-R555 PolarHBondContact OE2-NH2 3.16Å; S553-R555 VanDerWaalsContact C-N 3.35Å; S553-R555 PolarHBondContact O-N 3.42Å; R555-F558 PolarHBondContact O-N 2.59Å; R555-R559 VanDerWaalsContact NH1-NH2 3.14Å
556A57.2Low59.5Low44 Ų4495.3 Ų95.336%0.36452%0.519SS..Hα-helixtrans-69.1-39.3179.700000112.1I519 E552 S553 F558 R559 G560I519-A556 HydrophobicContact CD1-CB 4.09Å; E552-A556 WeakPolarHBondContact O-CB 3.16Å; E552-A556 PolarHBondContact O-N 2.98Å; S553-A556 PolarHBondContact O-N 2.89Å; A556-F558 PolarHBondContact O-N 3.42Å; A556-R559 PolarHBondContact O-N 3.13Å; A556-R559 VanDerWaalsContact O-N 3.13Å; A556-G560 PolarHBondContact O-N 3.46Å
557G47.2Very low56.6Low61 Ų61102.4 Ų102.463%0.62955%0.549SS*.Hα-helixtrans-57.4-25.8176.400000114.3S553S553-G557 PolarHBondContact O-N 3.25Å; S553-G557 VanDerWaalsContact O-N 3.1Å
558F44.5Very low53.6Low190 Ų190103.1 Ų103.183%0.83356%0.561SS**Hα-helixtrans-86.2-13.7178.1-133.4-92.5000114.1K554 R555 A556K554-F558 PolarHBondContact O-N 3.02Å; R555-F558 PolarHBondContact O-N 2.59Å; A556-F558 PolarHBondContact O-N 3.42Å
559R38.9Very low50.6Low179 Ų179108.1 Ų108.168%0.67559%0.587SS**Hα-helixtrans-99.9-16-176.8-108.2-169.4-129.3-139.93.3114.7R555 A556 L561R555-R559 VanDerWaalsContact NH1-NH2 3.14Å; A556-R559 PolarHBondContact O-N 3.13Å; A556-R559 VanDerWaalsContact O-N 3.13Å; R559-L561 VanDerWaalsContact C-N 3.33Å; R559-L561 PolarHBondContact O-N 3.16Å
560G35.8Very low47.6Very low68 Ų68116.3 Ų116.370%0.70162%0.623SS**THydrogen-bonded Turntrans-71.3-3.7-174.500000117.1A556A556-G560 PolarHBondContact O-N 3.46Å
561L34.4Very low44.7Very low169 Ų169121.5 Ų121.589%0.88565%0.647SS**THydrogen-bonded Turntrans-103.9-1.4-173.9-76.3169.7000115.1R559R559-L561 VanDerWaalsContact C-N 3.33Å; R559-L561 PolarHBondContact O-N 3.16Å
562S28.6Very low41.9Very low104.5 Ų104.5125.5 Ų125.573%0.73166%0.663SS**SBendtrans-128.651.8-177.5-167.80000114.8
563S30.1Very low39.2Very low110.5 Ų110.5129.7 Ų129.777%0.77369%0.692SS**SBendtrans-145.437.6165.353.90000114.4
564K30.1Very low36.7Very low204 Ų204132.5 Ų132.589%0.88771%0.709SS**SBendtrans-119.955.2167.5-98.1-170.3177.2179.30112.8
565L28.5Very low34.5Very low155.5 Ų155.5129 Ų12981%0.81472%0.715SS**  trans-150.1148.8153.9-10581.7000107.6
566D29.7Very low32.5Very low116 Ų116128.3 Ų128.362%0.6273%0.727SS**  139.4130.6100.9-112-11.9000114.4
567K30.6Very low31Very low167.5 Ų167.5129.6 Ų129.673%0.72873%0.734SS**  trans71.7116.1132.1-72.5145.2-176.2159.40114.8
568S27.4Very low30.2Very low97.5 Ų97.5131.3 Ų131.368%0.68274%0.736SS**  74.8126.465.4800000113.8
569D26.5Very low29.3Very low130 Ų130128.2 Ų128.270%0.69573%0.733SS**  179.5155.864.3-123.4-8.7000112.6
570K28.3Very low29Very low174 Ų174125.4 Ų125.476%0.75774%0.738SS**  trans72.7141.4163.5-58.8153.3-172.5175.80115.6
571Q26.5Very low28.5Very low167 Ų167127.4 Ų127.478%0.7874%0.741SS**  cis-163.5143.33.3-127.6168.6-50.800106.8
572L26.1Very low28Very low144.5 Ų144.5124.8 Ų124.876%0.75774%0.737SS**  -112.3165.785.6-106.5161.1000109.3
573T26.6Very low27.8Very low128 Ų128129.9 Ų129.979%0.78574%0.742SS**  trans-141.5142.7169.652.20000109.2
574P28.4Very low27.6Very low110.5 Ų110.5130.3 Ų130.372%0.71874%0.739SS**  -120156.7-116.134.9-19.5000113
575G28.5Very low27.2Very low74.5 Ų74.5124.9 Ų124.977%0.76873%0.727SS**  trans175.5135148.200000111.5
576S27.5Very low26.9Very low98.5 Ų98.5127 Ų12769%0.68973%0.73SS**  cis114.3142.230.8-14.80000109.8D373D373-S576 PolarHBondContact OD1-OG 3.41Å
577S27.1Very low26.7Very low73 Ų73125.6 Ų125.651%0.5173%0.734SS.*  cis-170.9160.8-3.5510000107.1
578S29.6Very low26.4Very low95.5 Ų95.5126.2 Ų126.267%0.66874%0.74SS**  trans117.2125130.758.90000112
579T26.6Very low26.4Very low125 Ų125129.9 Ų129.977%0.76775%0.746SS**  76.1141.161.871.80000117.6
580P32.8Very low26.3Very low119.5 Ų119.5131.9 Ų131.978%0.77675%0.748SS**  -115.3169.7-91.541.4-29.9000114.6
581S23.5Very low26.2Very low111 Ų111129.2 Ų129.278%0.77675%0.749SS**  trans99117.6142.5-167.30000117.1
582S25.5Very low26.1Very low113.5 Ų113.5127.5 Ų127.579%0.79475%0.745SS**  -152.4129.7127.9127.30000110.7V584S582-V584 PolarHBondContact O-N 3.05Å; S582-V584 VanDerWaalsContact O-N 3.15Å
583Y23Very low26.2Very low213 Ų213127.1 Ų127.184%0.83575%0.749SS**  trans-71.4155.3174.1-124.2-105.9000111.4
584V26.6Very low26.3Very low118 Ų118128.4 Ų128.472%0.71575%0.749SS**  trans161.2111.5161-173.10000111.7S582 F586S582-V584 PolarHBondContact O-N 3.05Å; S582-V584 VanDerWaalsContact O-N 3.15Å; V584-F586 HydrophobicContact CG1-CD2 3.79Å; V584-F586 HydrophobicContact CG1-CE2 4.07Å; V584-F586 PolarHBondContact O-N 3.23Å
585S21.2Very low26.3Very low90.5 Ų90.5129.9 Ų129.963%0.63375%0.746SS**  trans-124.1122.6-130.245.50000110.1
586F23.3Very low26.4Very low199.5 Ų199.5130.4 Ų130.488%0.87574%0.738SS**  trans-26.5109.5153.9-85.3-80.9000115.3V584V584-F586 HydrophobicContact CG1-CD2 3.79Å; V584-F586 HydrophobicContact CG1-CE2 4.07Å; V584-F586 PolarHBondContact O-N 3.23Å
587A25.7Very low27Very low86.5 Ų86.5131.6 Ų131.672%0.71574%0.737SS**  trans-128.4127.514700000109.3
588Q24.5Very low28.2Very low180 Ų180132.8 Ų132.884%0.84174%0.738SS**  87.4108.3128.2-75.9179.2-13.300112.3
589H27.1Very low29.4Very low176.5 Ų176.5129.3 Ų129.382%0.81771%0.713SS**  -159.2127.384.4-122.9-86.9000112.2
590K23.7Very low31.1Very low170.5 Ų170.5124.1 Ų124.174%0.74168%0.684SS**  trans-8.7151.7158-101-175.6177.1-165.30116.8D592K590-D592 WeakPolarHBondContact CD-OD1 3.45Å; K590-D592 VanDerWaalsContact CD-OD2 3.32Å; K590-D592 WeakPolarHBondContact CD-OD2 3.41Å; K590-D592 VanDerWaalsContact CE-CG 3.43Å; K590-D592 WeakPolarHBondContact CE-OD1 3.34Å; K590-D592 VanDerWaalsContact CE-OD2 3.28Å; K590-D592 WeakPolarHBondContact CE-OD2 3.15Å; K590-D592 IonicContact NZ-OD1 3.7Å; K590-D592 PolarHBondContact NZ-OD1 3.32Å; K590-D592 IonicContact NZ-OD2 2.7Å; K590-D592 PolarHBondContact NZ-OD2 3.26Å
591P25.6Very low32.5Very low117.5 Ų117.5122.5 Ų122.576%0.76367%0.666SS**  trans-109.9141.9142.335.6-29.9000113.1
592D25.5Very low34.1Very low131 Ų131118.6 Ų118.670%0.70164%0.64SS**  trans-99.3135.3164.1-80.6-51.5000109.8K590 I594K590-D592 WeakPolarHBondContact CD-OD1 3.45Å; K590-D592 VanDerWaalsContact CD-OD2 3.32Å; K590-D592 WeakPolarHBondContact CD-OD2 3.41Å; K590-D592 VanDerWaalsContact CE-CG 3.43Å; K590-D592 WeakPolarHBondContact CE-OD1 3.34Å; K590-D592 VanDerWaalsContact CE-OD2 3.28Å; K590-D592 WeakPolarHBondContact CE-OD2 3.15Å; K590-D592 IonicContact NZ-OD1 3.7Å; K590-D592 PolarHBondContact NZ-OD1 3.32Å; K590-D592 IonicContact NZ-OD2 2.7Å; K590-D592 PolarHBondContact NZ-OD2 3.26Å; D592-I594 PolarHBondContact O-N 2.77Å
593V27.2Very low36Very low137.5 Ų137.5116 Ų11683%0.83362%0.615SS**  trans-106.4106.7169.4-178.80000108.7Q595V593-Q595 VanDerWaalsContact C-N 3.32Å; V593-Q595 PolarHBondContact O-N 3.09Å
594I30.1Very low38.2Very low155 Ų155109.9 Ų109.980%0.79559%0.591SS**  trans-98.6110.9173.6-58.2171.6000107.4D592 S596D592-I594 PolarHBondContact O-N 2.77Å; I594-S596 PolarHBondContact O-N 3.32Å
595Q28.8Very low40.2Very low141.5 Ų141.5108.2 Ų108.266%0.66158%0.577SS**  trans-74.6104.2171.9-77.4173.8-2600109.1V593 N597V593-Q595 VanDerWaalsContact C-N 3.32Å; V593-Q595 PolarHBondContact O-N 3.09Å; Q595-N597 VanDerWaalsContact C-N 3.33Å; Q595-N597 PolarHBondContact O-N 3.49Å
596S30Very low42.6Very low86 Ų86106.1 Ų106.160%0.60156%0.557SS**  trans-69.790.5173.347.50000110.2I594 D598I594-S596 PolarHBondContact O-N 3.32Å; S596-D598 PolarHBondContact O-N 3.19Å
597N39.5Very low45.2Very low122.5 Ų122.597.4 Ų97.466%0.65552%0.52SS*.  trans-72.160.4174.3-70.6-35.7000111.8Q595 P599Q595-N597 VanDerWaalsContact C-N 3.33Å; Q595-N597 PolarHBondContact O-N 3.49Å; N597-P599 WeakPolarHBondContact O-CD 3.23Å
598D51.8Low47.6Very low98.5 Ų98.595.4 Ų95.453%0.52750%0.497SS..  trans-83.1114.1175.6-163.1-5.8000109.4S596 G600 E601S596-D598 PolarHBondContact O-N 3.19Å; D598-G600 PolarHBondContact O-N 3.13Å; D598-G600 PolarHBondContact OD1-N 3.2Å; D598-G600 VanDerWaalsContact OD1-N 3.12Å; D598-E601 HydrophobicContact CB-CG 4.43Å; D598-E601 WeakPolarHBondContact O-CB 3.33Å; D598-E601 PolarHBondContact O-N 3.22Å
599P54.8Low50Low23 Ų2390.7 Ų90.715%0.14948%0.475CS..Hα-helixtrans-60.9-16.5-177.422.7-33.6000113.7N597 E601N597-P599 WeakPolarHBondContact O-CD 3.23Å; P599-E601 PolarHBondContact O-N 3.37Å
600G62.2Low52.7Low14.5 Ų14.583.2 Ų83.215%0.14944%0.441CS..Hα-helixtrans-69.8-19.517100000114.6D598 R604D598-G600 PolarHBondContact O-N 3.13Å; D598-G600 PolarHBondContact OD1-N 3.2Å; D598-G600 VanDerWaalsContact OD1-N 3.12Å; G600-R604 VanDerWaalsContact O-CG 3.3Å; G600-R604 WeakPolarHBondContact O-CG 3.49Å; G600-R604 PolarHBondContact O-N 3.01Å; G600-R604 PolarHBondContact O-NE 3.05Å; G600-R604 PolarHBondContact O-NH2 3.49Å
601E62Low55.6Low86 Ų8675.1 Ų75.140%0.40241%0.406SS..Hα-helixtrans-87.4-43.7179-141.6164.7-15000112D598 P599 Q603 R604 L605D598-E601 HydrophobicContact CB-CG 4.43Å; D598-E601 WeakPolarHBondContact O-CB 3.33Å; D598-E601 PolarHBondContact O-N 3.22Å; P599-E601 PolarHBondContact O-N 3.37Å; E601-Q603 VanDerWaalsContact C-N 3.3Å; E601-Q603 PolarHBondContact O-N 2.98Å; E601-R604 WeakPolarHBondContact O-CA 3.33Å; E601-R604 WeakPolarHBondContact O-CB 3.4Å; E601-R604 PolarHBondContact O-N 3.18Å; E601-R604 VanDerWaalsContact O-N 3.1Å; E601-R604 IonicContact OE1-NH1 2.94Å; E601-R604 PolarHBondContact OE1-NH1 3.12Å; E601-L605 WeakPolarHBondContact O-CG 3.34Å; E601-L605 PolarHBondContact O-N 3.15Å
602A58.4Low58.4Low28.6667 Ų28.666770.8 Ų70.824%0.23738%0.378CS..Hα-helixtrans-56.6-39.4173.900000112.7L305 T306 R604 F606L305-A602 HydrophobicContact CB-CB 4.44Å; T306-A602 HydrophobicContact CG2-CB 3.75Å; A602-R604 VanDerWaalsContact C-N 3.31Å; A602-R604 PolarHBondContact O-N 3.19Å; A602-F606 WeakPolarHBondContact O-CB 3.23Å; A602-F606 PolarHBondContact O-N 3.04Å; A602-F606 VanDerWaalsContact O-N 3.13Å
603Q65.9Low61.1Low59 Ų5968.2 Ų68.228%0.27636%0.364SS..Hα-helixtrans-65.5-35.1175.1-147.4-177.63200112.7L342 E601 F606 V607L342-Q603 HydrophobicContact CD1-CG 4.36Å; L342-Q603 HydrophobicContact CD2-CB 4.45Å; E601-Q603 VanDerWaalsContact C-N 3.3Å; E601-Q603 PolarHBondContact O-N 2.98Å; Q603-F606 PolarHBondContact O-N 3.18Å; Q603-V607 HydrophobicContact CG-CG2 4.41Å; Q603-V607 WeakPolarHBondContact O-CB 3.37Å; Q603-V607 VanDerWaalsContact O-CG2 3.27Å; Q603-V607 WeakPolarHBondContact O-CG2 3.44Å; Q603-V607 PolarHBondContact O-N 3.29Å; Q603-V607 VanDerWaalsContact O-N 3.08Å
604R68.1Low63.8Low86.6667 Ų86.666762 Ų6233%0.32733%0.326SS..Hα-helixtrans-64.2-56.1175.7-68.5171.1-162.8-176.5-0.2109.8G600 E601 A602 F606 V607 D608 H644G600-R604 VanDerWaalsContact O-CG 3.3Å; G600-R604 WeakPolarHBondContact O-CG 3.49Å; G600-R604 PolarHBondContact O-N 3.01Å; G600-R604 PolarHBondContact O-NE 3.05Å; G600-R604 PolarHBondContact O-NH2 3.49Å; E601-R604 WeakPolarHBondContact O-CA 3.33Å; E601-R604 WeakPolarHBondContact O-CB 3.4Å; E601-R604 PolarHBondContact O-N 3.18Å; E601-R604 VanDerWaalsContact O-N 3.1Å; E601-R604 IonicContact OE1-NH1 2.94Å; E601-R604 PolarHBondContact OE1-NH1 3.12Å; A602-R604 VanDerWaalsContact C-N 3.31Å; A602-R604 PolarHBondContact O-N 3.19Å; R604-F606 VanDerWaalsContact C-N 3.32Å; R604-F606 PolarHBondContact O-N 2.96Å; R604-F606 VanDerWaalsContact O-N 3.12Å; R604-V607 CarbonylContact O-C 3.56Å; R604-V607 WeakPolarHBondContact O-CA 3.32Å; R604-V607 WeakPolarHBondContact O-CB 3.46Å; R604-V607 PolarHBondContact O-N 3.16Å; R604-V607 VanDerWaalsContact O-N 3.17Å; R604-D608 VanDerWaalsContact C-CG 3.5Å; R604-D608 WeakPolarHBondContact O-CB 3.45Å; R604-D608 PolarHBondContact O-N 3.04Å; R604-D608 VanDerWaalsContact O-OD1 3.11Å; R604-H644 WeakPolarHBondContact CD-CE1 3.36Å; R604-H644 VanDerWaalsContact CG-CE1 3.45Å; R604-H644 WeakPolarHBondContact CG-CE1 3.34Å; R604-H644 PolarHBondContact NE-CE1 3.08Å; R604-H644 VanDerWaalsContact NE-CE1 3.26Å; R604-H644 PolarHBondContact NE-NE2 3.27Å; R604-H644 PolarHBondContact NH1-NE2 2.79Å; R604-H644 PolarHBondContact NH2-CE1 3.47Å; R604-H644 PolarHBondContact NH2-NE2 3.33Å
605L68Low66.4Low81 Ų8154.7 Ų54.742%0.42429%0.289SS..Hα-helixtrans-55.3-40-179.3-65.6172.6000112.8E601 V607 D608 Q609E601-L605 WeakPolarHBondContact O-CG 3.34Å; E601-L605 PolarHBondContact O-N 3.15Å; L605-V607 PolarHBondContact O-N 3.4Å; L605-D608 PolarHBondContact O-N 3.48Å; L605-Q609 VanDerWaalsContact O-CG 3.29Å; L605-Q609 WeakPolarHBondContact O-CG 3.33Å; L605-Q609 PolarHBondContact O-N 3.25Å
606F72.8Confident68.9Low47 Ų4749.6 Ų49.621%0.20627%0.274CS..Hα-helixtrans-65.3-42.2175.3-175.2-99000113L305 A312 L315 I335 L338 L339 L342 A602 Q603 R604 L610L305-F606 HydrophobicContact CD2-CB 4.31Å; L305-F606 HydrophobicContact CD2-CD1 4.5Å; L305-F606 HydrophobicContact CD2-CD2 3.22Å; L305-F606 HydrophobicContact CD2-CE2 3.48Å; L305-F606 VanDerWaalsContact CD2-CE2 3.48Å; L305-F606 HydrophobicContact CD2-CG 3.79Å; L305-F606 HydrophobicContact CD2-CZ 4.24Å; A312-F606 HydrophobicContact CB-CD2 3.89Å; A312-F606 HydrophobicContact CB-CE2 4.4Å; L315-F606 HydrophobicContact CD1-CE2 4.39Å; I335-F606 HydrophobicContact CG1-CZ 4.47Å; I335-F606 HydrophobicContact CG2-CE1 4.33Å; I335-F606 HydrophobicContact CG2-CZ 4.33Å; L338-F606 HydrophobicContact CB-CE1 4.42Å; L338-F606 HydrophobicContact CB-CZ 4.13Å; L338-F606 HydrophobicContact CD1-CE2 4.33Å; L338-F606 HydrophobicContact CD1-CZ 3.95Å; L339-F606 HydrophobicContact CD2-CD1 4.09Å; L339-F606 HydrophobicContact CD2-CE1 3.92Å; L339-F606 HydrophobicContact CG-CE1 4.14Å; L342-F606 HydrophobicContact CD1-CD1 4.14Å; A602-F606 WeakPolarHBondContact O-CB 3.23Å; A602-F606 PolarHBondContact O-N 3.04Å; A602-F606 VanDerWaalsContact O-N 3.13Å; Q603-F606 PolarHBondContact O-N 3.18Å; R604-F606 VanDerWaalsContact C-N 3.32Å; R604-F606 PolarHBondContact O-N 2.96Å; R604-F606 VanDerWaalsContact O-N 3.12Å; F606-L610 HydrophobicContact CD1-CD1 4.03Å; F606-L610 HydrophobicContact CD1-CD2 4.44Å; F606-L610 HydrophobicContact CD2-CD1 4.04Å; F606-L610 HydrophobicContact CE1-CD1 3.58Å; F606-L610 VanDerWaalsContact CE1-CD1 3.47Å; F606-L610 HydrophobicContact CE1-CD2 3.58Å; F606-L610 HydrophobicContact CE2-CD1 3.58Å; F606-L610 HydrophobicContact CG-CD1 4.25Å; F606-L610 HydrophobicContact CZ-CD1 3.33Å; F606-L610 VanDerWaalsContact CZ-CD1 3.41Å; F606-L610 HydrophobicContact CZ-CD2 3.83Å; F606-L610 WeakPolarHBondContact O-CB 3.36Å; F606-L610 WeakPolarHBondContact O-CG 3.41Å; F606-L610 PolarHBondContact O-N 3.27Å
607V78Confident71.4Confident16 Ų1648 Ų4810%0.09726%0.258CS..Hα-helixtrans-71.9-42.4178.6166.70000111.6L339 Q603 R604 L605 Q609 L610 L611 M636 M640 I648L339-V607 HydrophobicContact CD2-CG2 4.3Å; Q603-V607 HydrophobicContact CG-CG2 4.41Å; Q603-V607 WeakPolarHBondContact O-CB 3.37Å; Q603-V607 VanDerWaalsContact O-CG2 3.27Å; Q603-V607 WeakPolarHBondContact O-CG2 3.44Å; Q603-V607 PolarHBondContact O-N 3.29Å; Q603-V607 VanDerWaalsContact O-N 3.08Å; R604-V607 CarbonylContact O-C 3.56Å; R604-V607 WeakPolarHBondContact O-CA 3.32Å; R604-V607 WeakPolarHBondContact O-CB 3.46Å; R604-V607 PolarHBondContact O-N 3.16Å; R604-V607 VanDerWaalsContact O-N 3.17Å; L605-V607 PolarHBondContact O-N 3.4Å; V607-Q609 VanDerWaalsContact C-N 3.26Å; V607-Q609 PolarHBondContact O-N 3.14Å; V607-L610 PolarHBondContact O-N 2.97Å; V607-L611 HydrophobicContact CG1-CB 4.36Å; V607-L611 HydrophobicContact CG1-CD2 4.4Å; V607-L611 WeakPolarHBondContact O-CB 3.38Å; V607-L611 PolarHBondContact O-N 3.21Å; V607-M636 HydrophobicContact CB-CE 4.18Å; V607-M636 HydrophobicContact CG1-CE 4.08Å; V607-M636 HydrophobicContact CG2-CE 4.03Å; V607-M640 HydrophobicContact CG1-CE 3.88Å; V607-M640 HydrophobicContact CG1-CG 4.22Å; V607-M640 HydrophobicContact CG1-SD 3.65Å; V607-I648 HydrophobicContact CG1-CD1 4.33Å
608D76.1Confident73.5Confident45.6667 Ų45.666742.4 Ų42.424%0.24423%0.228CC..Hα-helixtrans-60.3-36.7-179.3-62.5-17.2000111.7R604 L605 P612 H644 I648R604-D608 VanDerWaalsContact C-CG 3.5Å; R604-D608 WeakPolarHBondContact O-CB 3.45Å; R604-D608 PolarHBondContact O-N 3.04Å; R604-D608 VanDerWaalsContact O-OD1 3.11Å; L605-D608 PolarHBondContact O-N 3.48Å; D608-P612 WeakPolarHBondContact O-CD 3.45Å; D608-P612 VanDerWaalsContact O-CG 3.3Å; D608-P612 WeakPolarHBondContact O-CG 3.31Å; D608-H644 IonicContact OD1-CD2 3.59Å; D608-H644 IonicContact OD1-CE1 3.83Å; D608-H644 PolarHBondContact OD1-CE1 3.33Å; D608-H644 IonicContact OD1-NE2 3.57Å; D608-H644 PolarHBondContact OD1-NE2 3Å; D608-H644 IonicContact OD2-NE2 2.77Å; D608-I648 HydrophobicContact CB-CD1 4.38Å; D608-I648 WeakPolarHBondContact OD1-CD1 3.34Å; D608-I648 VanDerWaalsContact OD1-CG1 3.29Å; D608-I648 WeakPolarHBondContact OD1-CG1 3.29Å
609Q75.6Confident74.8Confident80.3333 Ų80.333342.8 Ų42.838%0.37523%0.225SC..Hα-helixtrans-79.3-43.4176.9-67.8179.213.700112.6G309 A312 L605 V607 L613G309-Q609 PolarHBondContact O-OE1 2.99Å; A312-Q609 HydrophobicContact CB-CB 4.48Å; L605-Q609 VanDerWaalsContact O-CG 3.29Å; L605-Q609 WeakPolarHBondContact O-CG 3.33Å; L605-Q609 PolarHBondContact O-N 3.25Å; V607-Q609 VanDerWaalsContact C-N 3.26Å; V607-Q609 PolarHBondContact O-N 3.14Å; Q609-L613 VanDerWaalsContact O-CD1 3.27Å; Q609-L613 WeakPolarHBondContact O-CD1 3.39Å; Q609-L613 WeakPolarHBondContact O-CG 3.35Å
610L82.5Confident75.8Confident20 Ų2050.3 Ų50.311%0.10526%0.258CS..Hα-helixtrans-81.9-33.8-172.5-99.3143.8000113.9A316 I335 F606 V607 L613 L614 M636A316-L610 HydrophobicContact CB-CD2 4.23Å; I335-L610 HydrophobicContact CD1-CD1 4.12Å; I335-L610 HydrophobicContact CD1-CD2 4.29Å; I335-L610 HydrophobicContact CG1-CD1 4.18Å; I335-L610 HydrophobicContact CG2-CD1 4.16Å; F606-L610 HydrophobicContact CD1-CD1 4.03Å; F606-L610 HydrophobicContact CD1-CD2 4.44Å; F606-L610 HydrophobicContact CD2-CD1 4.04Å; F606-L610 HydrophobicContact CE1-CD1 3.58Å; F606-L610 VanDerWaalsContact CE1-CD1 3.47Å; F606-L610 HydrophobicContact CE1-CD2 3.58Å; F606-L610 HydrophobicContact CE2-CD1 3.58Å; F606-L610 HydrophobicContact CG-CD1 4.25Å; F606-L610 HydrophobicContact CZ-CD1 3.33Å; F606-L610 VanDerWaalsContact CZ-CD1 3.41Å; F606-L610 HydrophobicContact CZ-CD2 3.83Å; F606-L610 WeakPolarHBondContact O-CB 3.36Å; F606-L610 WeakPolarHBondContact O-CG 3.41Å; F606-L610 PolarHBondContact O-N 3.27Å; V607-L610 PolarHBondContact O-N 2.97Å; L610-L613 PolarHBondContact O-N 3.02Å; L610-L613 VanDerWaalsContact O-N 3.16Å; L610-L614 HydrophobicContact CD1-CD1 4.29Å; L610-L614 HydrophobicContact CD1-CG 4.03Å; L610-L614 HydrophobicContact CD2-CD1 4.37Å; L610-L614 HydrophobicContact CG-CD1 3.92Å; L610-L614 HydrophobicContact CG-CG 4.15Å; L610-L614 WeakPolarHBondContact O-CG 3.27Å; L610-L614 PolarHBondContact O-N 3.11Å; L610-M636 HydrophobicContact CB-CE 3.93Å; L610-M636 HydrophobicContact CD2-CE 3.89Å; L610-M636 HydrophobicContact CD2-SD 4.03Å; L610-M636 HydrophobicContact CG-CE 3.9Å; L610-M636 HydrophobicContact CG-SD 4.31Å
611L84.9Confident76.5Confident0 Ų050.9 Ų50.90%026%0.26CS..Hα-helixtrans-63.8-45.1-174.4-175.567.5000112.9V607 L613 L614 V615 V633 M636 I637 M640 I648 F658V607-L611 HydrophobicContact CG1-CB 4.36Å; V607-L611 HydrophobicContact CG1-CD2 4.4Å; V607-L611 WeakPolarHBondContact O-CB 3.38Å; V607-L611 PolarHBondContact O-N 3.21Å; L611-L613 VanDerWaalsContact C-N 3.29Å; L611-L613 PolarHBondContact O-N 3.02Å; L611-L614 PolarHBondContact O-N 3.33Å; L611-V615 HydrophobicContact CD1-CG2 4.5Å; L611-V615 WeakPolarHBondContact O-CG2 3.34Å; L611-V615 PolarHBondContact O-N 3.08Å; L611-V633 HydrophobicContact CD1-CB 4.32Å; L611-V633 HydrophobicContact CD1-CG1 4.01Å; L611-V633 HydrophobicContact CD1-CG2 4.03Å; L611-M636 HydrophobicContact CB-CE 3.94Å; L611-M636 HydrophobicContact CB-SD 4.43Å; L611-M636 HydrophobicContact CD1-CB 3.86Å; L611-M636 HydrophobicContact CD1-CE 3.77Å; L611-M636 HydrophobicContact CD1-CG 4.5Å; L611-M636 HydrophobicContact CD1-SD 4.07Å; L611-I637 HydrophobicContact CD1-CD1 4.45Å; L611-I637 HydrophobicContact CD2-CG1 4.33Å; L611-M640 HydrophobicContact CD2-CE 4.01Å; L611-M640 HydrophobicContact CD2-SD 4.25Å; L611-I648 HydrophobicContact CD2-CD1 4.2Å; L611-I648 HydrophobicContact CD2-CG2 4.41Å; L611-F658 HydrophobicContact CB-CZ 4.41Å; L611-F658 HydrophobicContact CD1-CZ 4.21Å; L611-F658 HydrophobicContact CD2-CE1 3.83Å; L611-F658 HydrophobicContact CD2-CE2 4.49Å; L611-F658 HydrophobicContact CD2-CZ 3.88Å; L611-F658 VanDerWaalsContact CD2-CZ 3.41Å; L611-F658 HydrophobicContact CG-CE1 4.18Å; L611-F658 HydrophobicContact CG-CE2 4.47Å; L611-F658 HydrophobicContact CG-CZ 3.7Å
612P83.5Confident77.1Confident27.6667 Ų27.666750.5 Ų50.518%0.1826%0.264CS..Hα-helixtrans-59.9-39.5172.5-25.736.9000113.2D608 L614 V615 G616 N653 F658D608-P612 WeakPolarHBondContact O-CD 3.45Å; D608-P612 VanDerWaalsContact O-CG 3.3Å; D608-P612 WeakPolarHBondContact O-CG 3.31Å; P612-L614 PolarHBondContact O-N 3.34Å; P612-V615 PolarHBondContact O-N 3.04Å; P612-G616 PolarHBondContact O-N 3.13Å; P612-N653 WeakPolarHBondContact CG-ND2 3.25Å; P612-F658 HydrophobicContact CB-CE2 4.45Å; P612-F658 HydrophobicContact CG-CD2 4.43Å; P612-F658 HydrophobicContact CG-CE2 4.47Å
613L82.1Confident77.8Confident76 Ų7651.9 Ų51.940%0.39827%0.272SS..Hα-helixtrans-67-42-179.8-67.5173.2000112A316 Q609 L610 L611 V615 G616 L617A316-L613 HydrophobicContact CB-CD1 3.3Å; Q609-L613 VanDerWaalsContact O-CD1 3.27Å; Q609-L613 WeakPolarHBondContact O-CD1 3.39Å; Q609-L613 WeakPolarHBondContact O-CG 3.35Å; L610-L613 PolarHBondContact O-N 3.02Å; L610-L613 VanDerWaalsContact O-N 3.16Å; L611-L613 VanDerWaalsContact C-N 3.29Å; L611-L613 PolarHBondContact O-N 3.02Å; L613-V615 VanDerWaalsContact C-N 3.32Å; L613-V615 PolarHBondContact O-N 3.2Å; L613-G616 CarbonylContact O-C 3.59Å; L613-G616 WeakPolarHBondContact O-CA 3.49Å; L613-G616 PolarHBondContact O-N 3.07Å; L613-G616 VanDerWaalsContact O-N 3.07Å; L613-L617 VanDerWaalsContact O-CB 3.26Å; L613-L617 WeakPolarHBondContact O-CB 3.41Å; L613-L617 WeakPolarHBondContact O-CD1 3.42Å; L613-L617 VanDerWaalsContact O-CG 3.27Å; L613-L617 WeakPolarHBondContact O-CG 3.17Å; L613-L617 PolarHBondContact O-N 3.27Å
614L85.1Confident78.2Confident6.66667 Ų6.6666752 Ų524%0.03528%0.279CS..Hα-helixtrans-62.9-37.3176.1-70.1172.5000112.6L332 L610 L611 P612 L617 F618 L632 V633 M636L332-L614 HydrophobicContact CD2-CD2 3.4Å; L610-L614 HydrophobicContact CD1-CD1 4.29Å; L610-L614 HydrophobicContact CD1-CG 4.03Å; L610-L614 HydrophobicContact CD2-CD1 4.37Å; L610-L614 HydrophobicContact CG-CD1 3.92Å; L610-L614 HydrophobicContact CG-CG 4.15Å; L610-L614 WeakPolarHBondContact O-CG 3.27Å; L610-L614 PolarHBondContact O-N 3.11Å; L611-L614 PolarHBondContact O-N 3.33Å; P612-L614 PolarHBondContact O-N 3.34Å; L614-L617 HydrophobicContact CD2-CD1 4.37Å; L614-F618 WeakPolarHBondContact O-CB 3.31Å; L614-F618 PolarHBondContact O-N 2.99Å; L614-F618 VanDerWaalsContact O-N 3.14Å; L614-L632 HydrophobicContact CD1-CB 3.94Å; L614-L632 HydrophobicContact CD1-CD1 4.34Å; L614-L632 HydrophobicContact CD2-CD1 4.14Å; L614-V633 HydrophobicContact CB-CG2 3.79Å; L614-V633 HydrophobicContact CD1-CG2 4.29Å; L614-M636 HydrophobicContact CD1-CE 4.46Å; L614-M636 HydrophobicContact CD1-SD 3.52Å; L614-M636 VanDerWaalsContact CD1-SD 3.53Å; L614-M636 WeakPolarHBondContact CD1-SD 3.27Å
615V84.7Confident78.8Confident3 Ų349 Ų492%0.01827%0.27CS..Hα-helixtrans-71.7-32.4175.2174.40000111.7L611 P612 L613 V633 F658 S661 L662 M665L611-V615 HydrophobicContact CD1-CG2 4.5Å; L611-V615 WeakPolarHBondContact O-CG2 3.34Å; L611-V615 PolarHBondContact O-N 3.08Å; P612-V615 PolarHBondContact O-N 3.04Å; L613-V615 VanDerWaalsContact C-N 3.32Å; L613-V615 PolarHBondContact O-N 3.2Å; V615-V633 HydrophobicContact CG2-CG1 4.38Å; V615-V633 HydrophobicContact CG2-CG2 4.19Å; V615-F658 HydrophobicContact CB-CE2 4.04Å; V615-F658 HydrophobicContact CB-CZ 4.35Å; V615-F658 HydrophobicContact CG1-CE2 4.22Å; V615-F658 HydrophobicContact CG2-CE2 3.83Å; V615-F658 HydrophobicContact CG2-CZ 3.84Å; V615-S661 WeakPolarHBondContact CG1-O 3.47Å; V615-L662 HydrophobicContact CG2-CD1 3.95Å; V615-M665 HydrophobicContact CG1-CB 4.37Å; V615-M665 HydrophobicContact CG2-SD 4.03Å
616G81.4Confident79.5Confident33.6667 Ų33.666747.2 Ų47.235%0.34726%0.258SS..Hα-helixtrans-65.7-55170.100000112P612 L613 F618 K619P612-G616 PolarHBondContact O-N 3.13Å; L613-G616 CarbonylContact O-C 3.59Å; L613-G616 WeakPolarHBondContact O-CA 3.49Å; L613-G616 PolarHBondContact O-N 3.07Å; L613-G616 VanDerWaalsContact O-N 3.07Å; G616-F618 PolarHBondContact O-N 3.19Å; G616-F618 VanDerWaalsContact O-N 3.15Å; G616-K619 WeakPolarHBondContact O-CB 3.4Å; G616-K619 PolarHBondContact O-N 2.96Å
617L81.9Confident79.8Confident52 Ų5247.9 Ų47.927%0.27226%0.262SS..Hα-helixtrans-54.2-37.5179.1-101.1137.4000112.4V319 V328 L332 L613 L614 K619 E620 S621 V625V319-L617 HydrophobicContact CG1-CD1 4.24Å; V319-L617 HydrophobicContact CG1-CD2 3.41Å; V319-L617 VanDerWaalsContact CG1-CD2 3.41Å; V319-L617 HydrophobicContact CG1-CG 4.41Å; V328-L617 HydrophobicContact CG1-CD2 4.23Å; L332-L617 HydrophobicContact CD1-CD2 4.49Å; L332-L617 HydrophobicContact CD2-CD2 4.4Å; L613-L617 VanDerWaalsContact O-CB 3.26Å; L613-L617 WeakPolarHBondContact O-CB 3.41Å; L613-L617 WeakPolarHBondContact O-CD1 3.42Å; L613-L617 VanDerWaalsContact O-CG 3.27Å; L613-L617 WeakPolarHBondContact O-CG 3.17Å; L613-L617 PolarHBondContact O-N 3.27Å; L614-L617 HydrophobicContact CD2-CD1 4.37Å; L617-K619 VanDerWaalsContact C-N 3.32Å; L617-K619 PolarHBondContact O-N 3.25Å; L617-K619 VanDerWaalsContact O-N 3.12Å; L617-E620 PolarHBondContact O-N 3.26Å; L617-E620 VanDerWaalsContact O-N 3.14Å; L617-S621 WeakPolarHBondContact CD1-OG 3.15Å; L617-S621 WeakPolarHBondContact CG-OG 3.34Å; L617-S621 VanDerWaalsContact O-CB 3.25Å; L617-S621 WeakPolarHBondContact O-CB 3.42Å; L617-S621 PolarHBondContact O-N 3.16Å; L617-S621 PolarHBondContact O-OG 3.39Å; L617-V625 HydrophobicContact CD2-CG1 4.02Å; L617-V625 HydrophobicContact CG-CG1 4.12Å
618F84.1Confident80Confident4.33333 Ų4.3333349.9 Ų49.92%0.01927%0.27CS..Hα-helixtrans-53.8-38.4175.4-178.5-79000112.8L614 G616 E620 S621 R626 C629 T630 M665 T668 V669L614-F618 WeakPolarHBondContact O-CB 3.31Å; L614-F618 PolarHBondContact O-N 2.99Å; L614-F618 VanDerWaalsContact O-N 3.14Å; G616-F618 PolarHBondContact O-N 3.19Å; G616-F618 VanDerWaalsContact O-N 3.15Å; F618-E620 VanDerWaalsContact C-N 3.3Å; F618-E620 PolarHBondContact O-N 2.96Å; F618-S621 PolarHBondContact O-N 2.98Å; F618-R626 HydrophobicContact CD1-CG 4.43Å; F618-R626 HydrophobicContact CD2-CB 3.81Å; F618-R626 HydrophobicContact CD2-CG 3.89Å; F618-R626 HydrophobicContact CE1-CG 4.34Å; F618-R626 HydrophobicContact CE2-CB 3.53Å; F618-R626 VanDerWaalsContact CE2-CB 3.49Å; F618-R626 HydrophobicContact CE2-CG 3.83Å; F618-R626 HydrophobicContact CG-CG 4.24Å; F618-R626 HydrophobicContact CZ-CB 4.13Å; F618-R626 HydrophobicContact CZ-CG 4.09Å; F618-R626 VanDerWaalsContact O-CD 3.3Å; F618-R626 WeakPolarHBondContact O-CD 3.37Å; F618-R626 WeakPolarHBondContact O-CG 3.37Å; F618-C629 HydrophobicContact CB-CB 4.47Å; F618-C629 HydrophobicContact CD2-CB 4.42Å; F618-T630 VanDerWaalsContact CE2-OG1 3.31Å; F618-T630 WeakPolarHBondContact CE2-OG1 3.3Å; F618-M665 HydrophobicContact CB-CG 4.13Å; F618-M665 HydrophobicContact CB-SD 4.31Å; F618-M665 HydrophobicContact CD1-CB 4.45Å; F618-M665 HydrophobicContact CD1-CG 3.65Å; F618-M665 HydrophobicContact CD2-CG 3.81Å; F618-M665 HydrophobicContact CD2-SD 4.15Å; F618-M665 HydrophobicContact CE1-CG 4.04Å; F618-M665 HydrophobicContact CE2-CG 4.14Å; F618-M665 HydrophobicContact CG-CG 3.57Å; F618-M665 VanDerWaalsContact CG-CG 3.5Å; F618-M665 HydrophobicContact CG-SD 4.17Å; F618-M665 HydrophobicContact CZ-CG 4.27Å; F618-T668 VanDerWaalsContact CE1-OG1 3.31Å; F618-T668 WeakPolarHBondContact CE1-OG1 3.35Å; F618-V669 HydrophobicContact CE1-CG2 4.4Å; F618-V669 HydrophobicContact CE2-CG2 3.52Å; F618-V669 VanDerWaalsContact CE2-CG2 3.41Å; F618-V669 HydrophobicContact CZ-CG2 3.41Å
619K79.1Confident80.5Confident107.667 Ų107.66747.8 Ų47.847%0.46826%0.259SS..Hα-helixtrans-67.7-28.8-175.8-65-179.8175.7-178.20113.1G616 L617 Q664G616-K619 WeakPolarHBondContact O-CB 3.4Å; G616-K619 PolarHBondContact O-N 2.96Å; L617-K619 VanDerWaalsContact C-N 3.32Å; L617-K619 PolarHBondContact O-N 3.25Å; L617-K619 VanDerWaalsContact O-N 3.12Å; K619-Q664 VanDerWaalsContact CE-OE1 3.29Å
620E75.6Confident80.9Confident180.333 Ų180.33344.1 Ų44.184%0.84324%0.242SC*.Hα-helixtrans-106-1.9-173.5-64.2175.2-176.500113L617 F618L617-E620 PolarHBondContact O-N 3.26Å; L617-E620 VanDerWaalsContact O-N 3.14Å; F618-E620 VanDerWaalsContact C-N 3.3Å; F618-E620 PolarHBondContact O-N 2.96Å
621S77.5Confident81Confident27.6667 Ų27.666745 Ų4519%0.19325%0.247CC..SBendtrans-101.2159.9-166-51.90000115.6L617 F618 V625 R626L617-S621 WeakPolarHBondContact CD1-OG 3.15Å; L617-S621 WeakPolarHBondContact CG-OG 3.34Å; L617-S621 VanDerWaalsContact O-CB 3.25Å; L617-S621 WeakPolarHBondContact O-CB 3.42Å; L617-S621 PolarHBondContact O-N 3.16Å; L617-S621 PolarHBondContact O-OG 3.39Å; F618-S621 PolarHBondContact O-N 2.98Å; S621-V625 VanDerWaalsContact OG-CG1 3.26Å; S621-V625 WeakPolarHBondContact OG-CG1 3.23Å; S621-R626 PolarHBondContact O-NE 3.3Å
622T74.1Confident81.1Confident77.3333 Ų77.333346.3 Ų46.347%0.47425%0.253SS..  trans-70.6160.2171.162.70000111.8E325 S624 V625 R626E325-T622 VanDerWaalsContact CD-OG1 3.26Å; E325-T622 WeakPolarHBondContact OE1-CB 3.48Å; E325-T622 PolarHBondContact OE1-OG1 3.17Å; T622-S624 VanDerWaalsContact C-N 3.29Å; T622-S624 PolarHBondContact O-N 3.09Å; T622-S624 PolarHBondContact OG1-OG 2.94Å; T622-V625 WeakPolarHBondContact O-CA 3.39Å; T622-V625 PolarHBondContact O-N 3.13Å; T622-V625 VanDerWaalsContact O-N 3.09Å; T622-V625 PolarHBondContact OG1-N 3.41Å; T622-R626 WeakPolarHBondContact O-CB 3.33Å; T622-R626 VanDerWaalsContact O-CG 3.32Å; T622-R626 WeakPolarHBondContact O-CG 3.32Å; T622-R626 PolarHBondContact O-N 3.23Å
623S72.4Confident81.3Confident57.6667 Ų57.666745 Ų4540%0.40325%0.245SC..Hα-helixtrans-57.4-32.3-175.480.80000114.6R626 H627 E673S623-R626 PolarHBondContact O-N 2.88Å; S623-H627 VanDerWaalsContact O-CB 3.31Å; S623-H627 WeakPolarHBondContact O-CB 3.31Å; S623-H627 PolarHBondContact O-N 3.3Å; S623-E673 WeakPolarHBondContact CA-OE1 3.42Å; S623-E673 VanDerWaalsContact CB-OE1 3.31Å; S623-E673 WeakPolarHBondContact CB-OE1 3.48Å; S623-E673 PolarHBondContact OG-OE2 3.23Å
624S74.7Confident81.6Confident62 Ų6242.3 Ų42.343%0.43423%0.229SC..Hα-helixtrans-66.1-44174.710.50000112.3E325 T622 H627 Q628E325-S624 WeakPolarHBondContact OE1-CB 3.42Å; E325-S624 PolarHBondContact OE1-OG 2.86Å; T622-S624 VanDerWaalsContact C-N 3.29Å; T622-S624 PolarHBondContact O-N 3.09Å; T622-S624 PolarHBondContact OG1-OG 2.94Å; S624-H627 WeakPolarHBondContact O-CB 3.39Å; S624-H627 PolarHBondContact O-N 2.82Å; S624-Q628 PolarHBondContact O-N 3.08Å; S624-Q628 VanDerWaalsContact O-N 3.12Å
625V80.8Confident81.6Confident23.6667 Ų23.666745.5 Ų45.514%0.14324%0.241CC..Hα-helixtrans-71.1-41.7176.7176.70000110.3E325 V328 L329 L332 L617 S621 T622 H627 Q628 C629E325-V625 HydrophobicContact CG-CG2 4.03Å; V328-V625 HydrophobicContact CB-CG2 4.39Å; V328-V625 HydrophobicContact CG1-CG1 3.86Å; V328-V625 HydrophobicContact CG1-CG2 3.93Å; L329-V625 HydrophobicContact CD2-CG2 4Å; L329-V625 HydrophobicContact CG-CG2 4.05Å; L332-V625 HydrophobicContact CD1-CG1 4.04Å; L617-V625 HydrophobicContact CD2-CG1 4.02Å; L617-V625 HydrophobicContact CG-CG1 4.12Å; S621-V625 VanDerWaalsContact OG-CG1 3.26Å; S621-V625 WeakPolarHBondContact OG-CG1 3.23Å; T622-V625 WeakPolarHBondContact O-CA 3.39Å; T622-V625 PolarHBondContact O-N 3.13Å; T622-V625 VanDerWaalsContact O-N 3.09Å; T622-V625 PolarHBondContact OG1-N 3.41Å; V625-H627 VanDerWaalsContact C-N 3.28Å; V625-H627 PolarHBondContact O-N 3.1Å; V625-Q628 CarbonylContact O-C 3.51Å; V625-Q628 WeakPolarHBondContact O-CA 3.34Å; V625-Q628 PolarHBondContact O-N 3.05Å; V625-C629 WeakPolarHBondContact O-CB 3.38Å; V625-C629 PolarHBondContact O-N 2.93Å; V625-C629 PolarHBondContact O-SG 2.98Å; V625-C629 VanDerWaalsContact O-SG 3.33Å
626R81.6Confident81.6Confident42 Ų4245.9 Ų45.916%0.15824%0.243CC..Hα-helixtrans-55.6-41.7172.6-71.4-169.1-86179.80.6112.6F618 S621 T622 S623 T630 E672 E673F618-R626 HydrophobicContact CD1-CG 4.43Å; F618-R626 HydrophobicContact CD2-CB 3.81Å; F618-R626 HydrophobicContact CD2-CG 3.89Å; F618-R626 HydrophobicContact CE1-CG 4.34Å; F618-R626 HydrophobicContact CE2-CB 3.53Å; F618-R626 VanDerWaalsContact CE2-CB 3.49Å; F618-R626 HydrophobicContact CE2-CG 3.83Å; F618-R626 HydrophobicContact CG-CG 4.24Å; F618-R626 HydrophobicContact CZ-CB 4.13Å; F618-R626 HydrophobicContact CZ-CG 4.09Å; F618-R626 VanDerWaalsContact O-CD 3.3Å; F618-R626 WeakPolarHBondContact O-CD 3.37Å; F618-R626 WeakPolarHBondContact O-CG 3.37Å; S621-R626 PolarHBondContact O-NE 3.3Å; T622-R626 WeakPolarHBondContact O-CB 3.33Å; T622-R626 VanDerWaalsContact O-CG 3.32Å; T622-R626 WeakPolarHBondContact O-CG 3.32Å; T622-R626 PolarHBondContact O-N 3.23Å; S623-R626 PolarHBondContact O-N 2.88Å; R626-T630 VanDerWaalsContact O-CB 3.3Å; R626-T630 WeakPolarHBondContact O-CB 3.26Å; R626-T630 PolarHBondContact O-N 3.16Å; R626-T630 PolarHBondContact O-OG1 3.05Å; R626-E672 IonicContact CZ-OE2 3.25Å; R626-E672 VanDerWaalsContact CZ-OE2 3.24Å; R626-E672 IonicContact NH1-OE2 2.89Å; R626-E672 PolarHBondContact NH1-OE2 3.15Å; R626-E672 IonicContact NH2-OE2 3.56Å; R626-E672 PolarHBondContact NH2-OE2 3.47Å; R626-E673 WeakPolarHBondContact CD-OE1 3.39Å; R626-E673 IonicContact CZ-OE1 2.92Å; R626-E673 VanDerWaalsContact CZ-OE1 3.27Å; R626-E673 IonicContact NE-OE1 3.22Å; R626-E673 PolarHBondContact NE-OE1 3.22Å; R626-E673 IonicContact NH1-OE1 3.64Å; R626-E673 PolarHBondContact NH1-OE1 3.2Å; R626-E673 IonicContact NH2-OE1 2.77Å; R626-E673 PolarHBondContact NH2-OE1 3.36Å
627H79.9Confident81.8Confident61.6667 Ų61.666744.3 Ų44.329%0.28523%0.226SC..Hα-helixtrans-59.4-51.3174.3-179.393.3000111.5S623 S624 V625 C629 T630 L631 L677S623-H627 VanDerWaalsContact O-CB 3.31Å; S623-H627 WeakPolarHBondContact O-CB 3.31Å; S623-H627 PolarHBondContact O-N 3.3Å; S624-H627 WeakPolarHBondContact O-CB 3.39Å; S624-H627 PolarHBondContact O-N 2.82Å; V625-H627 VanDerWaalsContact C-N 3.28Å; V625-H627 PolarHBondContact O-N 3.1Å; H627-C629 PolarHBondContact O-N 3.18Å; H627-T630 PolarHBondContact O-N 3.13Å; H627-L631 WeakPolarHBondContact NE2-CD1 3.46Å; H627-L631 WeakPolarHBondContact O-CB 3.4Å; H627-L631 WeakPolarHBondContact O-CG 3.41Å; H627-L631 PolarHBondContact O-N 3.04Å; H627-L631 VanDerWaalsContact O-N 3.08Å; H627-L677 HydrophobicContact CB-CD1 3.93Å; H627-L677 HydrophobicContact CB-CD2 4.29Å; H627-L677 WeakPolarHBondContact ND1-CD1 3.45Å; H627-L677 VanDerWaalsContact ND1-CD2 3.3Å; H627-L677 WeakPolarHBondContact ND1-CD2 3.15Å; H627-L677 WeakPolarHBondContact ND1-CG 3.43Å
628Q82.3Confident81.9Confident58.6667 Ų58.666744.6 Ų44.627%0.27423%0.226SC..Hα-helixtrans-65.5-41.7179.5-142.194.712.400112.4L329 L332 E336 S624 V625 T630 L631 L632L329-Q628 HydrophobicContact CD2-CB 4.09Å; L332-Q628 HydrophobicContact CB-CG 3.72Å; L332-Q628 HydrophobicContact CD1-CB 4.11Å; L332-Q628 HydrophobicContact CD1-CG 3.98Å; E336-Q628 PolarHBondContact OE2-NE2 3.03Å; S624-Q628 PolarHBondContact O-N 3.08Å; S624-Q628 VanDerWaalsContact O-N 3.12Å; V625-Q628 CarbonylContact O-C 3.51Å; V625-Q628 WeakPolarHBondContact O-CA 3.34Å; V625-Q628 PolarHBondContact O-N 3.05Å; Q628-T630 VanDerWaalsContact C-N 3.35Å; Q628-T630 PolarHBondContact O-N 2.91Å; Q628-L631 PolarHBondContact O-N 3.18Å; Q628-L632 HydrophobicContact CG-CD1 4.18Å; Q628-L632 HydrophobicContact CG-CG 4.49Å; Q628-L632 WeakPolarHBondContact O-CB 3.44Å; Q628-L632 VanDerWaalsContact O-CG 3.32Å; Q628-L632 WeakPolarHBondContact O-CG 3.43Å; Q628-L632 PolarHBondContact O-N 2.95Å
629C86.2Confident81.7Confident2.33333 Ų2.3333348.8 Ų48.82%0.01624%0.243CC..Hα-helixtrans-58.9-45.2174.1-700000111.5F618 V625 H627 L631 L632 V633F618-C629 HydrophobicContact CB-CB 4.47Å; F618-C629 HydrophobicContact CD2-CB 4.42Å; V625-C629 WeakPolarHBondContact O-CB 3.38Å; V625-C629 PolarHBondContact O-N 2.93Å; V625-C629 PolarHBondContact O-SG 2.98Å; V625-C629 VanDerWaalsContact O-SG 3.33Å; H627-C629 PolarHBondContact O-N 3.18Å; C629-L631 VanDerWaalsContact C-N 3.35Å; C629-L631 PolarHBondContact O-N 2.85Å; C629-L632 PolarHBondContact O-N 3.08Å; C629-V633 WeakPolarHBondContact O-CB 3.36Å; C629-V633 VanDerWaalsContact O-CG2 3.24Å; C629-V633 WeakPolarHBondContact O-CG2 3.37Å; C629-V633 PolarHBondContact O-N 3.15Å
630T84.7Confident81.7Confident1 Ų144.4 Ų44.41%0.00622%0.224CC..Hα-helixtrans-62.2-42.4178.2-55.60000111.7F618 R626 H627 Q628 W634 M665 V669 L677F618-T630 VanDerWaalsContact CE2-OG1 3.31Å; F618-T630 WeakPolarHBondContact CE2-OG1 3.3Å; R626-T630 VanDerWaalsContact O-CB 3.3Å; R626-T630 WeakPolarHBondContact O-CB 3.26Å; R626-T630 PolarHBondContact O-N 3.16Å; R626-T630 PolarHBondContact O-OG1 3.05Å; H627-T630 PolarHBondContact O-N 3.13Å; Q628-T630 VanDerWaalsContact C-N 3.35Å; Q628-T630 PolarHBondContact O-N 2.91Å; T630-W634 VanDerWaalsContact O-CB 3.24Å; T630-W634 WeakPolarHBondContact O-CB 3.45Å; T630-W634 PolarHBondContact O-N 3.15Å; T630-M665 HydrophobicContact CG2-CE 4.39Å; T630-V669 HydrophobicContact CG2-CG1 4.39Å; T630-V669 HydrophobicContact CG2-CG2 4.24Å; T630-L677 HydrophobicContact CG2-CD1 3.75Å; T630-L677 HydrophobicContact CG2-CD2 4.12Å; T630-L677 HydrophobicContact CG2-CG 4Å
631L84.6Confident82Confident40 Ų4041.9 Ų41.921%0.20921%0.207CC..Hα-helixtrans-65.9-41176.3-70.6179.4000112.5H627 Q628 C629 W634 R635 R680H627-L631 WeakPolarHBondContact NE2-CD1 3.46Å; H627-L631 WeakPolarHBondContact O-CB 3.4Å; H627-L631 WeakPolarHBondContact O-CG 3.41Å; H627-L631 PolarHBondContact O-N 3.04Å; H627-L631 VanDerWaalsContact O-N 3.08Å; Q628-L631 PolarHBondContact O-N 3.18Å; C629-L631 VanDerWaalsContact C-N 3.35Å; C629-L631 PolarHBondContact O-N 2.85Å; L631-W634 PolarHBondContact O-N 2.98Å; L631-R635 WeakPolarHBondContact O-CB 3.44Å; L631-R635 WeakPolarHBondContact O-CG 3.29Å; L631-R635 PolarHBondContact O-N 3.37Å; L631-R680 HydrophobicContact CD2-CG 4.12Å
632L86.1Confident82.1Confident27.6667 Ų27.666743.3 Ų43.315%0.14522%0.215CC..Hα-helixtrans-64.9-49.5176.4-76170.7000111.6L332 I335 E336 L339 L614 Q628 C629 W634 R635 M636L332-L632 HydrophobicContact CB-CD1 3.88Å; L332-L632 HydrophobicContact CD2-CD1 3.73Å; L332-L632 HydrophobicContact CG-CD1 4.27Å; I335-L632 HydrophobicContact CG2-CD2 4.1Å; E336-L632 HydrophobicContact CB-CD2 3.71Å; E336-L632 HydrophobicContact CG-CD2 4.13Å; L339-L632 HydrophobicContact CD1-CD2 3.92Å; L614-L632 HydrophobicContact CD1-CB 3.94Å; L614-L632 HydrophobicContact CD1-CD1 4.34Å; L614-L632 HydrophobicContact CD2-CD1 4.14Å; Q628-L632 HydrophobicContact CG-CD1 4.18Å; Q628-L632 HydrophobicContact CG-CG 4.49Å; Q628-L632 WeakPolarHBondContact O-CB 3.44Å; Q628-L632 VanDerWaalsContact O-CG 3.32Å; Q628-L632 WeakPolarHBondContact O-CG 3.43Å; Q628-L632 PolarHBondContact O-N 2.95Å; C629-L632 PolarHBondContact O-N 3.08Å; L632-W634 VanDerWaalsContact C-N 3.3Å; L632-W634 PolarHBondContact O-N 2.8Å; L632-R635 PolarHBondContact O-N 2.95Å; L632-R635 VanDerWaalsContact O-N 3.15Å; L632-M636 WeakPolarHBondContact O-CB 3.36Å; L632-M636 VanDerWaalsContact O-CG 3.24Å; L632-M636 WeakPolarHBondContact O-CG 3.43Å; L632-M636 PolarHBondContact O-N 3.15Å
633V88.5Confident82.3Confident0 Ų044.2 Ų44.20%022%0.217CC..Hα-helixtrans-58.9-43.8176.9170.40000110.6L611 L614 V615 C629 R635 M636 I637 L662 M665 L684L611-V633 HydrophobicContact CD1-CB 4.32Å; L611-V633 HydrophobicContact CD1-CG1 4.01Å; L611-V633 HydrophobicContact CD1-CG2 4.03Å; L614-V633 HydrophobicContact CB-CG2 3.79Å; L614-V633 HydrophobicContact CD1-CG2 4.29Å; V615-V633 HydrophobicContact CG2-CG1 4.38Å; V615-V633 HydrophobicContact CG2-CG2 4.19Å; C629-V633 WeakPolarHBondContact O-CB 3.36Å; C629-V633 VanDerWaalsContact O-CG2 3.24Å; C629-V633 WeakPolarHBondContact O-CG2 3.37Å; C629-V633 PolarHBondContact O-N 3.15Å; V633-R635 PolarHBondContact O-N 3.03Å; V633-M636 PolarHBondContact O-N 3.27Å; V633-I637 HydrophobicContact CG1-CD1 3.63Å; V633-I637 HydrophobicContact CG1-CG1 4.46Å; V633-I637 WeakPolarHBondContact O-CB 3.44Å; V633-I637 WeakPolarHBondContact O-CD1 3.42Å; V633-I637 VanDerWaalsContact O-CG1 3.27Å; V633-I637 WeakPolarHBondContact O-CG1 3.18Å; V633-I637 PolarHBondContact O-N 3.07Å; V633-L662 HydrophobicContact CG1-CD1 3.59Å; V633-M665 HydrophobicContact CB-CE 4.27Å; V633-M665 HydrophobicContact CG1-CE 3.84Å; V633-M665 HydrophobicContact CG1-SD 4.45Å; V633-M665 HydrophobicContact CG2-SD 4.35Å; V633-L684 HydrophobicContact CG1-CD1 4.19Å; V633-L684 HydrophobicContact CG1-CD2 4.25Å
634W88.3Confident82.6Confident18.6667 Ų18.666742.7 Ų42.77%0.07120%0.204CC..Hα-helixtrans-58.6-44.5173.4175.198.1000112.3T630 L631 L632 Q638 R680 E683 L684 R687T630-W634 VanDerWaalsContact O-CB 3.24Å; T630-W634 WeakPolarHBondContact O-CB 3.45Å; T630-W634 PolarHBondContact O-N 3.15Å; L631-W634 PolarHBondContact O-N 2.98Å; L632-W634 VanDerWaalsContact C-N 3.3Å; L632-W634 PolarHBondContact O-N 2.8Å; W634-Q638 VanDerWaalsContact CH2-OE1 3.26Å; W634-Q638 VanDerWaalsContact CZ3-OE1 3.23Å; W634-Q638 WeakPolarHBondContact O-CB 3.33Å; W634-Q638 PolarHBondContact O-N 2.93Å; W634-R680 HydrophobicContact CB-CG 4.17Å; W634-R680 HydrophobicContact CD2-CG 4.36Å; W634-R680 VanDerWaalsContact CD2-NE 3.26Å; W634-R680 VanDerWaalsContact CE2-NE 3.32Å; W634-R680 HydrophobicContact CG-CG 3.83Å; W634-R680 VanDerWaalsContact CH2-CZ 3.49Å; W634-R680 VanDerWaalsContact CZ2-NH1 3.29Å; W634-E683 WeakPolarHBondContact CZ2-OE1 3.48Å; W634-E683 VanDerWaalsContact CZ2-OE2 3.31Å; W634-E683 WeakPolarHBondContact CZ2-OE2 3.4Å; W634-E683 PolarHBondContact NE1-OE2 3.17Å; W634-E683 VanDerWaalsContact NE1-OE2 3.16Å; W634-L684 HydrophobicContact CB-CD1 4.13Å; W634-R687 VanDerWaalsContact CE2-NH1 3.29Å
635R84.5Confident83.1Confident74.6667 Ų74.666739.8 Ų39.828%0.28218%0.183SC..Hα-helixtrans-69.3-41.7179.3-104.4-178.6-151.8169.93.7112.3E336 L631 L632 V633 Q638 Y639E336-R635 VanDerWaalsContact CD-NH1 3.33Å; E336-R635 IonicContact OE1-CZ 2.7Å; E336-R635 IonicContact OE1-NH1 3.73Å; E336-R635 PolarHBondContact OE1-NH1 3.04Å; E336-R635 IonicContact OE1-NH2 3.37Å; L631-R635 WeakPolarHBondContact O-CB 3.44Å; L631-R635 WeakPolarHBondContact O-CG 3.29Å; L631-R635 PolarHBondContact O-N 3.37Å; L632-R635 PolarHBondContact O-N 2.95Å; L632-R635 VanDerWaalsContact O-N 3.15Å; V633-R635 PolarHBondContact O-N 3.03Å; R635-Q638 WeakPolarHBondContact O-CB 3.3Å; R635-Q638 PolarHBondContact O-N 3.18Å; R635-Y639 HydrophobicContact CB-CE2 4.39Å; R635-Y639 HydrophobicContact CG-CD2 3.93Å; R635-Y639 HydrophobicContact CG-CE2 3.36Å; R635-Y639 WeakPolarHBondContact O-CD2 3.32Å; R635-Y639 PolarHBondContact O-N 3.12Å
636M85.5Confident83.1Confident11.3333 Ų11.333341.5 Ų41.56%0.05619%0.19CC..Hα-helixtrans-60.4-50.3176.3-69.1170.384.800110.2L339 V607 L610 L611 L614 L632 V633 Q638 Y639 M640L339-M636 HydrophobicContact CD1-CG 3.44Å; L339-M636 VanDerWaalsContact CD1-CG 3.44Å; L339-M636 HydrophobicContact CD1-SD 4.11Å; L339-M636 HydrophobicContact CD2-CE 4.44Å; L339-M636 HydrophobicContact CD2-CG 3.85Å; L339-M636 HydrophobicContact CG-CG 4.3Å; V607-M636 HydrophobicContact CB-CE 4.18Å; V607-M636 HydrophobicContact CG1-CE 4.08Å; V607-M636 HydrophobicContact CG2-CE 4.03Å; L610-M636 HydrophobicContact CB-CE 3.93Å; L610-M636 HydrophobicContact CD2-CE 3.89Å; L610-M636 HydrophobicContact CD2-SD 4.03Å; L610-M636 HydrophobicContact CG-CE 3.9Å; L610-M636 HydrophobicContact CG-SD 4.31Å; L611-M636 HydrophobicContact CB-CE 3.94Å; L611-M636 HydrophobicContact CB-SD 4.43Å; L611-M636 HydrophobicContact CD1-CB 3.86Å; L611-M636 HydrophobicContact CD1-CE 3.77Å; L611-M636 HydrophobicContact CD1-CG 4.5Å; L611-M636 HydrophobicContact CD1-SD 4.07Å; L614-M636 HydrophobicContact CD1-CE 4.46Å; L614-M636 HydrophobicContact CD1-SD 3.52Å; L614-M636 VanDerWaalsContact CD1-SD 3.53Å; L614-M636 WeakPolarHBondContact CD1-SD 3.27Å; L632-M636 WeakPolarHBondContact O-CB 3.36Å; L632-M636 VanDerWaalsContact O-CG 3.24Å; L632-M636 WeakPolarHBondContact O-CG 3.43Å; L632-M636 PolarHBondContact O-N 3.15Å; V633-M636 PolarHBondContact O-N 3.27Å; M636-Q638 VanDerWaalsContact C-N 3.27Å; M636-Q638 PolarHBondContact O-N 3.12Å; M636-Y639 PolarHBondContact O-N 3Å; M636-Y639 VanDerWaalsContact O-N 3.16Å; M636-M640 WeakPolarHBondContact O-CB 3.47Å; M636-M640 VanDerWaalsContact O-CG 3.25Å; M636-M640 WeakPolarHBondContact O-CG 3.35Å; M636-M640 PolarHBondContact O-N 3.31Å; M636-M640 VanDerWaalsContact O-N 3.07Å
637I85.9Confident83.1Confident0.333333 Ų0.33333343.7 Ų43.70%0.00221%0.208CC..Hα-helixtrans-65.2-29.9178.2-68.1165.3000111.7L611 V633 Y639 M640 L645 L662 L684 L688 K691L611-I637 HydrophobicContact CD1-CD1 4.45Å; L611-I637 HydrophobicContact CD2-CG1 4.33Å; V633-I637 HydrophobicContact CG1-CD1 3.63Å; V633-I637 HydrophobicContact CG1-CG1 4.46Å; V633-I637 WeakPolarHBondContact O-CB 3.44Å; V633-I637 WeakPolarHBondContact O-CD1 3.42Å; V633-I637 VanDerWaalsContact O-CG1 3.27Å; V633-I637 WeakPolarHBondContact O-CG1 3.18Å; V633-I637 PolarHBondContact O-N 3.07Å; I637-Y639 VanDerWaalsContact C-N 3.32Å; I637-Y639 PolarHBondContact O-N 3.15Å; I637-M640 HydrophobicContact CG1-SD 4.21Å; I637-M640 PolarHBondContact O-N 3.46Å; I637-L645 HydrophobicContact CG1-CD1 4.47Å; I637-L662 HydrophobicContact CD1-CD1 3.98Å; I637-L662 HydrophobicContact CD1-CD2 3.72Å; I637-L662 HydrophobicContact CD1-CG 4.44Å; I637-L684 HydrophobicContact CB-CD1 3.97Å; I637-L684 HydrophobicContact CD1-CD1 3.99Å; I637-L684 HydrophobicContact CD1-CD2 4.08Å; I637-L684 HydrophobicContact CD1-CG 4.3Å; I637-L684 HydrophobicContact CG1-CD1 4.47Å; I637-L684 HydrophobicContact CG2-CD1 3.79Å; I637-L688 HydrophobicContact CD1-CD2 4.29Å; I637-L688 HydrophobicContact CG2-CD2 3.8Å; I637-L688 HydrophobicContact CG2-CG 4.45Å; I637-K691 PolarHBondContact O-NZ 3.45Å
638Q83Confident83.2Confident57.6667 Ų57.666740.8 Ų40.827%0.26920%0.195SC..Hα-helixtrans-58.4-48172.4-177-176.3-1.400111.5W634 R635 M636 K691W634-Q638 VanDerWaalsContact CH2-OE1 3.26Å; W634-Q638 VanDerWaalsContact CZ3-OE1 3.23Å; W634-Q638 WeakPolarHBondContact O-CB 3.33Å; W634-Q638 PolarHBondContact O-N 2.93Å; R635-Q638 WeakPolarHBondContact O-CB 3.3Å; R635-Q638 PolarHBondContact O-N 3.18Å; M636-Q638 VanDerWaalsContact C-N 3.27Å; M636-Q638 PolarHBondContact O-N 3.12Å; Q638-K691 PolarHBondContact O-NZ 2.98Å
639Y79.6Confident83.1Confident92.6667 Ų92.666738 Ų3836%0.36318%0.181SC..Hα-helixtrans-86.3-16.6-174.4-59.9-54.1000114.9H343 R635 M636 I637H343-Y639 HydrophobicContact CB-CD1 4.13Å; H343-Y639 HydrophobicContact CB-CD2 3.78Å; H343-Y639 HydrophobicContact CB-CE1 4.28Å; H343-Y639 HydrophobicContact CB-CE2 3.91Å; H343-Y639 HydrophobicContact CB-CG 3.91Å; H343-Y639 AromaticContact CD2-CD1 3.37Å; H343-Y639 WeakPolarHBondContact CD2-CD1 3.46Å; H343-Y639 AromaticContact CD2-CE1 3.14Å; H343-Y639 WeakPolarHBondContact CD2-CE1 3.39Å; H343-Y639 AromaticContact CD2-CZ 3.64Å; H343-Y639 AromaticContact CE1-CD1 3.8Å; H343-Y639 AromaticContact CG-CD1 3.44Å; H343-Y639 VanDerWaalsContact CG-CD1 3.44Å; H343-Y639 AromaticContact CG-CE1 3.65Å; H343-Y639 AromaticContact CG-CG 3.67Å; H343-Y639 AromaticContact ND1-CD1 3.71Å; H343-Y639 AromaticContact ND1-CG 3.97Å; H343-Y639 AromaticContact NE2-CD1 3.6Å; H343-Y639 AromaticContact NE2-CE1 3.59Å; R635-Y639 HydrophobicContact CB-CE2 4.39Å; R635-Y639 HydrophobicContact CG-CD2 3.93Å; R635-Y639 HydrophobicContact CG-CE2 3.36Å; R635-Y639 WeakPolarHBondContact O-CD2 3.32Å; R635-Y639 PolarHBondContact O-N 3.12Å; M636-Y639 PolarHBondContact O-N 3Å; M636-Y639 VanDerWaalsContact O-N 3.16Å; I637-Y639 VanDerWaalsContact C-N 3.32Å; I637-Y639 PolarHBondContact O-N 3.15Å
640M80.9Confident82.8Confident14.6667 Ų14.666740.4 Ų40.47%0.07219%0.194CC..SBendtrans-61.3143.8176.6-103.9174.7149.500113.7V607 L611 M636 I637 H644 L645 I648 K691V607-M640 HydrophobicContact CG1-CE 3.88Å; V607-M640 HydrophobicContact CG1-CG 4.22Å; V607-M640 HydrophobicContact CG1-SD 3.65Å; L611-M640 HydrophobicContact CD2-CE 4.01Å; L611-M640 HydrophobicContact CD2-SD 4.25Å; M636-M640 WeakPolarHBondContact O-CB 3.47Å; M636-M640 VanDerWaalsContact O-CG 3.25Å; M636-M640 WeakPolarHBondContact O-CG 3.35Å; M636-M640 PolarHBondContact O-N 3.31Å; M636-M640 VanDerWaalsContact O-N 3.07Å; I637-M640 HydrophobicContact CG1-SD 4.21Å; I637-M640 PolarHBondContact O-N 3.46Å; M640-H644 VanDerWaalsContact CE-C 3.44Å; M640-H644 HydrophobicContact CE-CB 3.87Å; M640-H644 WeakPolarHBondContact CE-O 3.4Å; M640-H644 HydrophobicContact CG-CB 4.07Å; M640-L645 HydrophobicContact CE-CB 4.31Å; M640-L645 HydrophobicContact CE-CD1 4.25Å; M640-L645 HydrophobicContact CG-CB 4.25Å; M640-L645 HydrophobicContact SD-CB 4.11Å; M640-L645 HydrophobicContact SD-CD1 3.9Å; M640-L645 HydrophobicContact SD-CG 4.4Å; M640-I648 HydrophobicContact CE-CB 4.18Å; M640-I648 HydrophobicContact CE-CD1 3.28Å; M640-I648 HydrophobicContact CE-CG1 3.83Å; M640-I648 HydrophobicContact SD-CD1 4.46Å; M640-K691 PolarHBondContact O-NZ 3.12Å
641R80.6Confident82.2Confident127.667 Ų127.66744.2 Ų44.248%0.48221%0.213SC..  trans-75.6151.2168.8-68.7-171.7-143.8141.62.2111D643 H644 L645R641-D643 VanDerWaalsContact C-N 3.34Å; R641-D643 IonicContact CZ-OD2 2.67Å; R641-D643 IonicContact NH1-OD2 3.51Å; R641-D643 PolarHBondContact NH1-OD2 3.39Å; R641-D643 PolarHBondContact O-N 3.18Å; R641-H644 HydrophobicContact CB-CB 4.38Å; R641-H644 PolarHBondContact NH1-NE2 3.02Å; R641-H644 VanDerWaalsContact NH1-NE2 3.11Å; R641-H644 PolarHBondContact NH2-CE1 3.22Å; R641-H644 PolarHBondContact NH2-NE2 3.05Å; R641-H644 VanDerWaalsContact NH2-NE2 3.12Å; R641-H644 PolarHBondContact O-N 3.1Å; R641-H644 VanDerWaalsContact O-N 3.14Å; R641-L645 PolarHBondContact O-N 3.01Å
642P80.2Confident81.2Confident57.3333 Ų57.333346.8 Ų46.837%0.37223%0.227SC..Hα-helixtrans-56.5-46.6179.76.7-10.9000112.7H644 L645 E646 K691P642-H644 VanDerWaalsContact C-N 3.27Å; P642-H644 PolarHBondContact O-N 3.21Å; P642-L645 CarbonylContact O-C 3.58Å; P642-L645 WeakPolarHBondContact O-CA 3.4Å; P642-L645 WeakPolarHBondContact O-CB 3.41Å; P642-L645 PolarHBondContact O-N 3.13Å; P642-E646 PolarHBondContact O-N 3.16Å; P642-K691 HydrophobicContact CB-CB 4.34Å; P642-K691 WeakPolarHBondContact CB-O 3.32Å; P642-K691 HydrophobicContact CG-CG 4.47Å
643D78.2Confident79.8Confident97 Ų9748.5 Ų48.552%0.51924%0.236SC..Hα-helixtrans-57.5-38.1178-12.9-47.3000112.5R641 E646 T647R641-D643 VanDerWaalsContact C-N 3.34Å; R641-D643 IonicContact CZ-OD2 2.67Å; R641-D643 IonicContact NH1-OD2 3.51Å; R641-D643 PolarHBondContact NH1-OD2 3.39Å; R641-D643 PolarHBondContact O-N 3.18Å; D643-E646 PolarHBondContact O-N 3.39Å; D643-T647 WeakPolarHBondContact O-CG2 3.35Å; D643-T647 PolarHBondContact O-N 3.29Å; D643-T647 VanDerWaalsContact O-N 3.12Å; D643-T647 PolarHBondContact O-OG1 3.08Å
644H79.1Confident78.3Confident26.6667 Ų26.666757.5 Ų57.512%0.12328%0.278CS..Hα-helixtrans-73.4-39.5176.4-88.8-134.8000111.6R604 D608 M640 R641 P642 E646 T647 I648R604-H644 WeakPolarHBondContact CD-CE1 3.36Å; R604-H644 VanDerWaalsContact CG-CE1 3.45Å; R604-H644 WeakPolarHBondContact CG-CE1 3.34Å; R604-H644 PolarHBondContact NE-CE1 3.08Å; R604-H644 VanDerWaalsContact NE-CE1 3.26Å; R604-H644 PolarHBondContact NE-NE2 3.27Å; R604-H644 PolarHBondContact NH1-NE2 2.79Å; R604-H644 PolarHBondContact NH2-CE1 3.47Å; R604-H644 PolarHBondContact NH2-NE2 3.33Å; D608-H644 IonicContact OD1-CD2 3.59Å; D608-H644 IonicContact OD1-CE1 3.83Å; D608-H644 PolarHBondContact OD1-CE1 3.33Å; D608-H644 IonicContact OD1-NE2 3.57Å; D608-H644 PolarHBondContact OD1-NE2 3Å; D608-H644 IonicContact OD2-NE2 2.77Å; M640-H644 VanDerWaalsContact CE-C 3.44Å; M640-H644 HydrophobicContact CE-CB 3.87Å; M640-H644 WeakPolarHBondContact CE-O 3.4Å; M640-H644 HydrophobicContact CG-CB 4.07Å; R641-H644 HydrophobicContact CB-CB 4.38Å; R641-H644 PolarHBondContact NH1-NE2 3.02Å; R641-H644 VanDerWaalsContact NH1-NE2 3.11Å; R641-H644 PolarHBondContact NH2-CE1 3.22Å; R641-H644 PolarHBondContact NH2-NE2 3.05Å; R641-H644 VanDerWaalsContact NH2-NE2 3.12Å; R641-H644 PolarHBondContact O-N 3.1Å; R641-H644 VanDerWaalsContact O-N 3.14Å; P642-H644 VanDerWaalsContact C-N 3.27Å; P642-H644 PolarHBondContact O-N 3.21Å; H644-E646 VanDerWaalsContact C-N 3.31Å; H644-E646 PolarHBondContact O-N 3.24Å; H644-T647 WeakPolarHBondContact CA-OG1 3.4Å; H644-T647 WeakPolarHBondContact O-CB 3.38Å; H644-T647 PolarHBondContact O-N 2.76Å; H644-T647 PolarHBondContact O-OG1 3.19Å; H644-I648 WeakPolarHBondContact O-CB 3.25Å; H644-I648 VanDerWaalsContact O-CD1 3.23Å; H644-I648 WeakPolarHBondContact O-CD1 3.38Å; H644-I648 WeakPolarHBondContact O-CG1 3.28Å; H644-I648 PolarHBondContact O-N 3.11Å
645L84Confident77Confident0 Ų060.9 Ų60.90%031%0.305CS..Hα-helixtrans-62.6-40.2174.717964.3000111.1I637 M640 R641 P642 S649 L688 K691 T692 Y696I637-L645 HydrophobicContact CG1-CD1 4.47Å; M640-L645 HydrophobicContact CE-CB 4.31Å; M640-L645 HydrophobicContact CE-CD1 4.25Å; M640-L645 HydrophobicContact CG-CB 4.25Å; M640-L645 HydrophobicContact SD-CB 4.11Å; M640-L645 HydrophobicContact SD-CD1 3.9Å; M640-L645 HydrophobicContact SD-CG 4.4Å; R641-L645 PolarHBondContact O-N 3.01Å; P642-L645 CarbonylContact O-C 3.58Å; P642-L645 WeakPolarHBondContact O-CA 3.4Å; P642-L645 WeakPolarHBondContact O-CB 3.41Å; P642-L645 PolarHBondContact O-N 3.13Å; L645-S649 WeakPolarHBondContact O-CB 3.32Å; L645-S649 PolarHBondContact O-N 3.21Å; L645-S649 PolarHBondContact O-OG 3.16Å; L645-L688 HydrophobicContact CD1-CD2 4.11Å; L645-L688 HydrophobicContact CD2-CD2 3.82Å; L645-L688 HydrophobicContact CG-CD2 4.49Å; L645-K691 HydrophobicContact CD2-CB 3.71Å; L645-K691 HydrophobicContact CD2-CD 4.12Å; L645-T692 HydrophobicContact CB-CG2 4.38Å; L645-T692 HydrophobicContact CD2-CG2 4.24Å; L645-T692 WeakPolarHBondContact CD2-OG1 3.26Å; L645-T692 HydrophobicContact CG-CG2 4.26Å; L645-Y696 HydrophobicContact CD2-CE2 4.34Å; L645-Y696 HydrophobicContact CG-CE2 4.43Å
646E81.8Confident76.2Confident60 Ų6059.3 Ų59.328%0.2830%0.303SS..Hα-helixtrans-61-48174.3176.3157.8-161.400111.6P642 D643 H644 I648 S649 L650 T692 H694 I695 I1408P642-E646 PolarHBondContact O-N 3.16Å; D643-E646 PolarHBondContact O-N 3.39Å; H644-E646 VanDerWaalsContact C-N 3.31Å; H644-E646 PolarHBondContact O-N 3.24Å; E646-I648 PolarHBondContact O-N 2.99Å; E646-S649 PolarHBondContact O-N 3.06Å; E646-L650 HydrophobicContact CG-CD1 4.04Å; E646-L650 WeakPolarHBondContact O-CG 3.27Å; E646-L650 PolarHBondContact O-N 2.99Å; E646-L650 VanDerWaalsContact O-N 3.16Å; E646-T692 HydrophobicContact CB-CG2 3.86Å; E646-H694 VanDerWaalsContact CD-NE2 3.3Å; E646-H694 IonicContact OE1-CD2 3.38Å; E646-H694 IonicContact OE1-CE1 2.9Å; E646-H694 IonicContact OE1-NE2 3.86Å; E646-H694 PolarHBondContact OE1-NE2 3.03Å; E646-H694 IonicContact OE2-CE1 3.22Å; E646-H694 PolarHBondContact OE2-CE1 2.88Å; E646-H694 VanDerWaalsContact OE2-CE1 3.29Å; E646-H694 IonicContact OE2-NE2 2.91Å; E646-H694 PolarHBondContact OE2-NE2 2.98Å; E646-I695 HydrophobicContact CB-CD1 4.46Å; E646-I695 HydrophobicContact CG-CD1 4.06Å; E646-I1408 WeakPolarHBondContact OE1-CD1 3.46Å
647T80.9Confident75.8Confident87.3333 Ų87.333359.9 Ų59.954%0.53631%0.308SS..Hα-helixtrans-57.9-50.1177.523.30000111.8D643 H644 S649 L650 M651D643-T647 WeakPolarHBondContact O-CG2 3.35Å; D643-T647 PolarHBondContact O-N 3.29Å; D643-T647 VanDerWaalsContact O-N 3.12Å; D643-T647 PolarHBondContact O-OG1 3.08Å; H644-T647 WeakPolarHBondContact CA-OG1 3.4Å; H644-T647 WeakPolarHBondContact O-CB 3.38Å; H644-T647 PolarHBondContact O-N 2.76Å; H644-T647 PolarHBondContact O-OG1 3.19Å; T647-S649 PolarHBondContact O-N 3.15Å; T647-L650 CarbonylContact O-C 3.55Å; T647-L650 PolarHBondContact O-N 3.12Å; T647-M651 WeakPolarHBondContact O-CG 3.37Å; T647-M651 PolarHBondContact O-N 2.97Å
648I81.4Confident75.7Confident1.33333 Ų1.3333360 Ų601%0.00731%0.308CS..Hα-helixtrans-66.4-40.4179-57.7178.8000111.3V607 D608 L611 M640 H644 E646 L650 M651 F658V607-I648 HydrophobicContact CG1-CD1 4.33Å; D608-I648 HydrophobicContact CB-CD1 4.38Å; D608-I648 WeakPolarHBondContact OD1-CD1 3.34Å; D608-I648 VanDerWaalsContact OD1-CG1 3.29Å; D608-I648 WeakPolarHBondContact OD1-CG1 3.29Å; L611-I648 HydrophobicContact CD2-CD1 4.2Å; L611-I648 HydrophobicContact CD2-CG2 4.41Å; M640-I648 HydrophobicContact CE-CB 4.18Å; M640-I648 HydrophobicContact CE-CD1 3.28Å; M640-I648 HydrophobicContact CE-CG1 3.83Å; M640-I648 HydrophobicContact SD-CD1 4.46Å; H644-I648 WeakPolarHBondContact O-CB 3.25Å; H644-I648 VanDerWaalsContact O-CD1 3.23Å; H644-I648 WeakPolarHBondContact O-CD1 3.38Å; H644-I648 WeakPolarHBondContact O-CG1 3.28Å; H644-I648 PolarHBondContact O-N 3.11Å; E646-I648 PolarHBondContact O-N 2.99Å; I648-L650 PolarHBondContact O-N 3.17Å; I648-L650 VanDerWaalsContact O-N 3.14Å; I648-M651 HydrophobicContact CB-SD 4.34Å; I648-M651 HydrophobicContact CG1-SD 4.27Å; I648-M651 HydrophobicContact CG2-SD 4.28Å; I648-M651 VanDerWaalsContact O-CB 3.31Å; I648-M651 WeakPolarHBondContact O-CB 3.4Å; I648-M651 PolarHBondContact O-N 3.3Å; I648-F658 HydrophobicContact CG2-CD1 3.67Å; I648-F658 HydrophobicContact CG2-CE1 4.02Å; I648-F658 HydrophobicContact CG2-CG 4.16Å; I648-F658 VanDerWaalsContact O-CB 3.26Å; I648-F658 WeakPolarHBondContact O-CB 3.39Å
649S82Confident75.8Confident0 Ų057.4 Ų57.40%030%0.296CS..Hα-helixtrans-56.8-31.3179.8-670000113.2L645 E646 T647 F658 A659 Y696L645-S649 WeakPolarHBondContact O-CB 3.32Å; L645-S649 PolarHBondContact O-N 3.21Å; L645-S649 PolarHBondContact O-OG 3.16Å; E646-S649 PolarHBondContact O-N 3.06Å; T647-S649 PolarHBondContact O-N 3.15Å; S649-F658 PolarHBondContact O-N 3.18Å; S649-A659 WeakPolarHBondContact O-CB 3.31Å; S649-A659 PolarHBondContact O-N 3.23Å; S649-A659 VanDerWaalsContact O-N 3.14Å; S649-Y696 WeakPolarHBondContact OG-CE2 3.07Å; S649-Y696 PolarHBondContact OG-OH 3.28Å; S649-Y696 VanDerWaalsContact OG-OH 3.13Å
650L79Confident76Confident52.6667 Ų52.666754.6 Ų54.628%0.27629%0.286SS..THydrogen-bonded Turntrans-96.63.3179.7-62.6172.4000113.7E646 T647 I648 D652 I695 I1408 K1411 I1412E646-L650 HydrophobicContact CG-CD1 4.04Å; E646-L650 WeakPolarHBondContact O-CG 3.27Å; E646-L650 PolarHBondContact O-N 2.99Å; E646-L650 VanDerWaalsContact O-N 3.16Å; T647-L650 CarbonylContact O-C 3.55Å; T647-L650 PolarHBondContact O-N 3.12Å; I648-L650 PolarHBondContact O-N 3.17Å; I648-L650 VanDerWaalsContact O-N 3.14Å; L650-D652 PolarHBondContact O-N 3.49Å; L650-I695 HydrophobicContact CD1-CD1 4.22Å; L650-I695 HydrophobicContact CD2-CD1 4.05Å; L650-I695 HydrophobicContact CG-CD1 3.92Å; L650-I1408 HydrophobicContact CD1-CG1 4.08Å; L650-I1408 HydrophobicContact CD1-CG2 4.48Å; L650-I1408 HydrophobicContact CD2-CG2 4.29Å; L650-K1411 HydrophobicContact CD2-CB 4.45Å; L650-K1411 PolarHBondContact O-NZ 3.02Å; L650-K1411 VanDerWaalsContact O-NZ 3.13Å; L650-I1412 HydrophobicContact CD2-CD1 4.29Å; L650-I1412 HydrophobicContact CD2-CG1 4.06Å
651M72.9Confident76.2Confident81.3333 Ų81.333354.8 Ų54.840%0.40129%0.289SS..  trans-71128.3170.6-69176.576.900110.1T647 I648 N653 P657 F658T647-M651 WeakPolarHBondContact O-CG 3.37Å; T647-M651 PolarHBondContact O-N 2.97Å; I648-M651 HydrophobicContact CB-SD 4.34Å; I648-M651 HydrophobicContact CG1-SD 4.27Å; I648-M651 HydrophobicContact CG2-SD 4.28Å; I648-M651 VanDerWaalsContact O-CB 3.31Å; I648-M651 WeakPolarHBondContact O-CB 3.4Å; I648-M651 PolarHBondContact O-N 3.3Å; M651-N653 VanDerWaalsContact C-N 3.29Å; M651-N653 PolarHBondContact O-N 3.15Å; M651-N653 VanDerWaalsContact O-N 3.09Å; M651-P657 WeakPolarHBondContact O-CA 3.4Å; M651-F658 PolarHBondContact O-N 3.11Å
652D63Low76.5Confident94 Ų9448.7 Ų48.750%0.50327%0.266SS..EExtended strand (participates in β ladder)trans-85.791.4179-91-32000110.4L650 Q654 S655 V656 K1411L650-D652 PolarHBondContact O-N 3.49Å; D652-Q654 PolarHBondContact O-N 2.95Å; D652-Q654 PolarHBondContact OD1-N 3.16Å; D652-S655 VanDerWaalsContact OD1-C 3.28Å; D652-S655 WeakPolarHBondContact OD1-CA 3.42Å; D652-S655 PolarHBondContact OD1-N 3.11Å; D652-V656 PolarHBondContact OD1-N 2.82Å; D652-K1411 IonicContact OD1-NZ 3.85Å; D652-K1411 IonicContact OD2-NZ 3.29Å; D652-K1411 PolarHBondContact OD2-NZ 3.35Å
653N57.4Low76.9Confident63 Ų6346 Ų4634%0.33725%0.248SC..EExtended strand (participates in β ladder)trans-84.297.2173.5-74.6-17.5000109.3P612 M651 S655 V656 F658P612-N653 WeakPolarHBondContact CG-ND2 3.25Å; M651-N653 VanDerWaalsContact C-N 3.29Å; M651-N653 PolarHBondContact O-N 3.15Å; M651-N653 VanDerWaalsContact O-N 3.09Å; N653-S655 VanDerWaalsContact C-N 3.27Å; N653-S655 PolarHBondContact O-N 3.2Å; N653-V656 PolarHBondContact N-O 2.79Å; N653-V656 PolarHBondContact O-N 3.28Å; N653-F658 WeakPolarHBondContact ND2-CD2 3.46Å
654Q55.9Low77.2Confident190 Ų19045.2 Ų45.289%0.88824%0.241SC*.THydrogen-bonded Turntrans58.237.5173.4-56.2179.1-4.800114.2D652 V656D652-Q654 PolarHBondContact O-N 2.95Å; D652-Q654 PolarHBondContact OD1-N 3.16Å; Q654-V656 PolarHBondContact O-N 2.97Å
655S60.3Low77.6Confident90 Ų9044.1 Ų44.163%0.62924%0.236SC*.THydrogen-bonded Turntrans103.3-14.9175.266.70000116.1D652 N653 Q1463D652-S655 VanDerWaalsContact OD1-C 3.28Å; D652-S655 WeakPolarHBondContact OD1-CA 3.42Å; D652-S655 PolarHBondContact OD1-N 3.11Å; N653-S655 VanDerWaalsContact C-N 3.27Å; N653-S655 PolarHBondContact O-N 3.2Å; S655-Q1463 PolarHBondContact O-NE2 2.8Å
656V68.5Low77.8Confident40.6667 Ų40.666744.1 Ų44.125%0.24624%0.236CC..EExtended strand (participates in β ladder)trans-116128.8-177.4-168.60000109.8D652 N653 Q654 F658 F660 S661D652-V656 PolarHBondContact OD1-N 2.82Å; N653-V656 PolarHBondContact N-O 2.79Å; N653-V656 PolarHBondContact O-N 3.28Å; Q654-V656 PolarHBondContact O-N 2.97Å; V656-F658 PolarHBondContact O-N 3.04Å; V656-F660 HydrophobicContact CG1-CB 3.69Å; V656-F660 VanDerWaalsContact CG1-CB 3.47Å; V656-F660 HydrophobicContact CG1-CD1 3.89Å; V656-F660 HydrophobicContact CG1-CD2 4.25Å; V656-F660 HydrophobicContact CG1-CE1 4.4Å; V656-F660 HydrophobicContact CG1-CG 4.01Å; V656-S661 VanDerWaalsContact CG1-OG 3.3Å; V656-S661 WeakPolarHBondContact CG1-OG 3.45Å
657P77.3Confident78Confident24.3333 Ų24.333343 Ų4316%0.15823%0.23CC..EExtended strand (participates in β ladder)trans-56.6135.4172.4-23.933.1000111.1M651 A659 F660 K1411 Q1463M651-P657 WeakPolarHBondContact O-CA 3.4Å; P657-A659 PolarHBondContact O-N 3.21Å; P657-A659 VanDerWaalsContact O-N 3.1Å; P657-F660 HydrophobicContact CB-CD2 4.15Å; P657-F660 HydrophobicContact CG-CD2 4.12Å; P657-F660 HydrophobicContact CG-CE2 4.28Å; P657-F660 WeakPolarHBondContact O-CB 3.43Å; P657-F660 PolarHBondContact O-N 3.23Å; P657-K1411 VanDerWaalsContact CG-O 3.29Å; P657-K1411 WeakPolarHBondContact CG-O 3.47Å; P657-Q1463 VanDerWaalsContact CD-OE1 3.23Å
658F83.9Confident78.1Confident2.66667 Ų2.6666740.5 Ų40.51%0.01221%0.214CC..Hα-helixtrans-52.6-34.3-176176.5-105.8000113.5L611 P612 V615 I648 S649 M651 N653 V656 F660 S661 L662L611-F658 HydrophobicContact CB-CZ 4.41Å; L611-F658 HydrophobicContact CD1-CZ 4.21Å; L611-F658 HydrophobicContact CD2-CE1 3.83Å; L611-F658 HydrophobicContact CD2-CE2 4.49Å; L611-F658 HydrophobicContact CD2-CZ 3.88Å; L611-F658 VanDerWaalsContact CD2-CZ 3.41Å; L611-F658 HydrophobicContact CG-CE1 4.18Å; L611-F658 HydrophobicContact CG-CE2 4.47Å; L611-F658 HydrophobicContact CG-CZ 3.7Å; P612-F658 HydrophobicContact CB-CE2 4.45Å; P612-F658 HydrophobicContact CG-CD2 4.43Å; P612-F658 HydrophobicContact CG-CE2 4.47Å; V615-F658 HydrophobicContact CB-CE2 4.04Å; V615-F658 HydrophobicContact CB-CZ 4.35Å; V615-F658 HydrophobicContact CG1-CE2 4.22Å; V615-F658 HydrophobicContact CG2-CE2 3.83Å; V615-F658 HydrophobicContact CG2-CZ 3.84Å; I648-F658 HydrophobicContact CG2-CD1 3.67Å; I648-F658 HydrophobicContact CG2-CE1 4.02Å; I648-F658 HydrophobicContact CG2-CG 4.16Å; I648-F658 VanDerWaalsContact O-CB 3.26Å; I648-F658 WeakPolarHBondContact O-CB 3.39Å; S649-F658 PolarHBondContact O-N 3.18Å; M651-F658 PolarHBondContact O-N 3.11Å; N653-F658 WeakPolarHBondContact ND2-CD2 3.46Å; V656-F658 PolarHBondContact O-N 3.04Å; F658-F660 PolarHBondContact O-N 3.33Å; F658-F660 VanDerWaalsContact O-N 3.14Å; F658-S661 PolarHBondContact O-N 2.7Å; F658-L662 HydrophobicContact CE1-CB 4.09Å; F658-L662 HydrophobicContact CE1-CD2 4.16Å; F658-L662 HydrophobicContact CE1-CG 4.42Å; F658-L662 HydrophobicContact CZ-CB 4.1Å; F658-L662 HydrophobicContact CZ-CD1 4.36Å; F658-L662 HydrophobicContact CZ-CD2 4.48Å; F658-L662 HydrophobicContact CZ-CG 4.47Å; F658-L662 WeakPolarHBondContact O-CB 3.46Å; F658-L662 PolarHBondContact O-N 3.29Å
659A84.9Confident78.2Confident1.33333 Ų1.3333340.4 Ų40.41%0.01121%0.214CC..Hα-helixtrans-52.3-36.7175.400000113.8S649 P657 T663 I695 Y696 V699S649-A659 WeakPolarHBondContact O-CB 3.31Å; S649-A659 PolarHBondContact O-N 3.23Å; S649-A659 VanDerWaalsContact O-N 3.14Å; P657-A659 PolarHBondContact O-N 3.21Å; P657-A659 VanDerWaalsContact O-N 3.1Å; A659-T663 WeakPolarHBondContact O-CB 3.44Å; A659-T663 PolarHBondContact O-N 3.24Å; A659-T663 PolarHBondContact O-OG1 2.97Å; A659-I695 HydrophobicContact CB-CG2 3.71Å; A659-Y696 HydrophobicContact CB-CE1 3.94Å; A659-V699 HydrophobicContact CB-CG2 4.25Å
660F84Confident78.3Confident34.3333 Ų34.333340.6 Ų40.615%0.15122%0.215CC..Hα-helixtrans-71.9-44.2176.8-142.1-86000111.6V656 P657 F658 L662 T663 Q664 V699 L703 T1466V656-F660 HydrophobicContact CG1-CB 3.69Å; V656-F660 VanDerWaalsContact CG1-CB 3.47Å; V656-F660 HydrophobicContact CG1-CD1 3.89Å; V656-F660 HydrophobicContact CG1-CD2 4.25Å; V656-F660 HydrophobicContact CG1-CE1 4.4Å; V656-F660 HydrophobicContact CG1-CG 4.01Å; P657-F660 HydrophobicContact CB-CD2 4.15Å; P657-F660 HydrophobicContact CG-CD2 4.12Å; P657-F660 HydrophobicContact CG-CE2 4.28Å; P657-F660 WeakPolarHBondContact O-CB 3.43Å; P657-F660 PolarHBondContact O-N 3.23Å; F658-F660 PolarHBondContact O-N 3.33Å; F658-F660 VanDerWaalsContact O-N 3.14Å; F660-L662 VanDerWaalsContact C-N 3.33Å; F660-L662 PolarHBondContact O-N 3.01Å; F660-T663 PolarHBondContact O-N 3.21Å; F660-Q664 VanDerWaalsContact O-CB 3.31Å; F660-Q664 WeakPolarHBondContact O-CB 3.36Å; F660-Q664 PolarHBondContact O-N 3.18Å; F660-V699 HydrophobicContact CD1-CG1 4.17Å; F660-V699 HydrophobicContact CD2-CG1 4.19Å; F660-V699 HydrophobicContact CE1-CG1 4.37Å; F660-V699 HydrophobicContact CE2-CG2 4.27Å; F660-V699 HydrophobicContact CG-CG1 4.26Å; F660-V699 HydrophobicContact CZ-CG2 4.46Å; F660-L703 HydrophobicContact CD1-CD1 4.22Å; F660-L703 HydrophobicContact CD1-CD2 4.16Å; F660-L703 HydrophobicContact CD1-CG 4.08Å; F660-L703 HydrophobicContact CD2-CD1 3.93Å; F660-L703 HydrophobicContact CD2-CG 4.23Å; F660-L703 HydrophobicContact CE1-CD1 4.16Å; F660-L703 HydrophobicContact CE1-CD2 4.08Å; F660-L703 HydrophobicContact CE1-CG 4.37Å; F660-L703 HydrophobicContact CE2-CD1 3.91Å; F660-L703 HydrophobicContact CE2-CD2 3.96Å; F660-L703 HydrophobicContact CE2-CG 3.72Å; F660-L703 HydrophobicContact CG-CD1 4.17Å; F660-L703 HydrophobicContact CZ-CD1 4.12Å; F660-L703 HydrophobicContact CZ-CD2 3.58Å; F660-L703 HydrophobicContact CZ-CG 3.89Å; F660-T1466 HydrophobicContact CE2-CG2 3.68Å; F660-T1466 HydrophobicContact CZ-CG2 3.62Å
661S83.9Confident78.3Confident19 Ų1939 Ų3913%0.13321%0.207CC..Hα-helixtrans-62.7-41.6176.9-75.60000112V615 V656 F658 Q664 M665V615-S661 WeakPolarHBondContact CG1-O 3.47Å; V656-S661 VanDerWaalsContact CG1-OG 3.3Å; V656-S661 WeakPolarHBondContact CG1-OG 3.45Å; F658-S661 PolarHBondContact O-N 2.7Å; S661-Q664 WeakPolarHBondContact O-CB 3.41Å; S661-Q664 PolarHBondContact O-N 2.77Å; S661-M665 PolarHBondContact O-N 3.1Å; S661-M665 VanDerWaalsContact O-N 3.11Å
662L88.7Confident78.5Confident0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-64.5-43.7174.4-17867.7000111.6V615 V633 I637 F658 F660 Q664 M665 I666 L688 Y696V615-L662 HydrophobicContact CG2-CD1 3.95Å; V633-L662 HydrophobicContact CG1-CD1 3.59Å; I637-L662 HydrophobicContact CD1-CD1 3.98Å; I637-L662 HydrophobicContact CD1-CD2 3.72Å; I637-L662 HydrophobicContact CD1-CG 4.44Å; F658-L662 HydrophobicContact CE1-CB 4.09Å; F658-L662 HydrophobicContact CE1-CD2 4.16Å; F658-L662 HydrophobicContact CE1-CG 4.42Å; F658-L662 HydrophobicContact CZ-CB 4.1Å; F658-L662 HydrophobicContact CZ-CD1 4.36Å; F658-L662 HydrophobicContact CZ-CD2 4.48Å; F658-L662 HydrophobicContact CZ-CG 4.47Å; F658-L662 WeakPolarHBondContact O-CB 3.46Å; F658-L662 PolarHBondContact O-N 3.29Å; F660-L662 VanDerWaalsContact C-N 3.33Å; F660-L662 PolarHBondContact O-N 3.01Å; L662-Q664 VanDerWaalsContact C-N 3.32Å; L662-Q664 PolarHBondContact O-N 2.96Å; L662-M665 HydrophobicContact CD1-CE 4.12Å; L662-M665 VanDerWaalsContact O-CB 3.31Å; L662-M665 WeakPolarHBondContact O-CB 3.4Å; L662-M665 PolarHBondContact O-N 2.93Å; L662-M665 VanDerWaalsContact O-N 3.14Å; L662-I666 HydrophobicContact CG-CD1 4.45Å; L662-I666 WeakPolarHBondContact O-CG1 3.21Å; L662-I666 PolarHBondContact O-N 3.06Å; L662-L688 HydrophobicContact CD2-CD1 3.76Å; L662-L688 HydrophobicContact CD2-CD2 3.93Å; L662-L688 HydrophobicContact CD2-CG 4.45Å; L662-L688 HydrophobicContact CG-CD1 4.41Å; L662-Y696 HydrophobicContact CD2-CE1 4.22Å; L662-Y696 WeakPolarHBondContact CD2-OH 3.33Å
663T87.3Confident79.1Confident0 Ų035.6 Ų35.60%019%0.187CC..Hα-helixtrans-68.1-33.6178.4-55.50000111.8A659 F660 M665 I666 Y667 V699 F700 L703 L705A659-T663 WeakPolarHBondContact O-CB 3.44Å; A659-T663 PolarHBondContact O-N 3.24Å; A659-T663 PolarHBondContact O-OG1 2.97Å; F660-T663 PolarHBondContact O-N 3.21Å; T663-M665 VanDerWaalsContact C-N 3.32Å; T663-M665 PolarHBondContact O-N 3.05Å; T663-I666 PolarHBondContact O-N 3.12Å; T663-Y667 WeakPolarHBondContact O-CB 3.32Å; T663-Y667 PolarHBondContact O-N 2.96Å; T663-V699 HydrophobicContact CG2-CG1 4.04Å; T663-V699 VanDerWaalsContact OG1-CG1 3.31Å; T663-V699 WeakPolarHBondContact OG1-CG1 3.37Å; T663-F700 HydrophobicContact CG2-CD1 3.57Å; T663-F700 HydrophobicContact CG2-CE1 3.87Å; T663-L703 HydrophobicContact CG2-CB 4.25Å; T663-L703 HydrophobicContact CG2-CD1 3.53Å; T663-L705 HydrophobicContact CG2-CD1 3.51Å; T663-L705 HydrophobicContact CG2-CD2 4.22Å; T663-L705 HydrophobicContact CG2-CG 4.41Å
664Q85.2Confident79.8Confident80 Ų8040.3 Ų40.337%0.37420%0.2SC..Hα-helixtrans-62.5-41171.8-171.5-176.41200111.2K619 F660 S661 L662 Y667 T668K619-Q664 VanDerWaalsContact CE-OE1 3.29Å; F660-Q664 VanDerWaalsContact O-CB 3.31Å; F660-Q664 WeakPolarHBondContact O-CB 3.36Å; F660-Q664 PolarHBondContact O-N 3.18Å; S661-Q664 WeakPolarHBondContact O-CB 3.41Å; S661-Q664 PolarHBondContact O-N 2.77Å; L662-Q664 VanDerWaalsContact C-N 3.32Å; L662-Q664 PolarHBondContact O-N 2.96Å; Q664-Y667 WeakPolarHBondContact O-CB 3.44Å; Q664-Y667 PolarHBondContact O-N 3.3Å; Q664-T668 WeakPolarHBondContact O-CG2 3.3Å; Q664-T668 PolarHBondContact O-N 3.05Å; Q664-T668 VanDerWaalsContact O-N 3.11Å; Q664-T668 PolarHBondContact O-OG1 3.11Å; Q664-T668 VanDerWaalsContact O-OG1 3.08Å
665M87.5Confident80.8Confident3.33333 Ų3.3333332.8 Ų32.82%0.01617%0.165CC..Hα-helixtrans-60.5-45.1173.1-169.2-160.177.900111.4V615 F618 T630 V633 S661 L662 T663 Y667 T668 V669 L684V615-M665 HydrophobicContact CG1-CB 4.37Å; V615-M665 HydrophobicContact CG2-SD 4.03Å; F618-M665 HydrophobicContact CB-CG 4.13Å; F618-M665 HydrophobicContact CB-SD 4.31Å; F618-M665 HydrophobicContact CD1-CB 4.45Å; F618-M665 HydrophobicContact CD1-CG 3.65Å; F618-M665 HydrophobicContact CD2-CG 3.81Å; F618-M665 HydrophobicContact CD2-SD 4.15Å; F618-M665 HydrophobicContact CE1-CG 4.04Å; F618-M665 HydrophobicContact CE2-CG 4.14Å; F618-M665 HydrophobicContact CG-CG 3.57Å; F618-M665 VanDerWaalsContact CG-CG 3.5Å; F618-M665 HydrophobicContact CG-SD 4.17Å; F618-M665 HydrophobicContact CZ-CG 4.27Å; T630-M665 HydrophobicContact CG2-CE 4.39Å; V633-M665 HydrophobicContact CB-CE 4.27Å; V633-M665 HydrophobicContact CG1-CE 3.84Å; V633-M665 HydrophobicContact CG1-SD 4.45Å; V633-M665 HydrophobicContact CG2-SD 4.35Å; S661-M665 PolarHBondContact O-N 3.1Å; S661-M665 VanDerWaalsContact O-N 3.11Å; L662-M665 HydrophobicContact CD1-CE 4.12Å; L662-M665 VanDerWaalsContact O-CB 3.31Å; L662-M665 WeakPolarHBondContact O-CB 3.4Å; L662-M665 PolarHBondContact O-N 2.93Å; L662-M665 VanDerWaalsContact O-N 3.14Å; T663-M665 VanDerWaalsContact C-N 3.32Å; T663-M665 PolarHBondContact O-N 3.05Å; M665-Y667 VanDerWaalsContact C-N 3.33Å; M665-Y667 PolarHBondContact O-N 3.26Å; M665-T668 WeakPolarHBondContact CA-OG1 3.37Å; M665-T668 PolarHBondContact O-N 2.69Å; M665-T668 PolarHBondContact O-OG1 3.27Å; M665-V669 VanDerWaalsContact O-CG2 3.26Å; M665-V669 WeakPolarHBondContact O-CG2 3.28Å; M665-V669 PolarHBondContact O-N 2.83Å; M665-V669 VanDerWaalsContact O-N 3.14Å; M665-L684 HydrophobicContact CE-CD1 4.41Å; M665-L684 HydrophobicContact CE-CD2 4.23Å
666I88.1Confident81.6Confident1.33333 Ų1.3333332.3 Ų32.31%0.00715%0.152CC..Hα-helixtrans-60.2-45.5175.5-64168.7000110.5L662 T663 T668 V669 L670 A681 L684 S685 L688 F700 L705L662-I666 HydrophobicContact CG-CD1 4.45Å; L662-I666 WeakPolarHBondContact O-CG1 3.21Å; L662-I666 PolarHBondContact O-N 3.06Å; T663-I666 PolarHBondContact O-N 3.12Å; I666-T668 VanDerWaalsContact C-N 3.33Å; I666-T668 PolarHBondContact O-N 3.3Å; I666-V669 PolarHBondContact O-N 3.1Å; I666-L670 HydrophobicContact CG2-CD1 4.1Å; I666-L670 HydrophobicContact CG2-CG 4.32Å; I666-L670 VanDerWaalsContact O-CG 3.29Å; I666-L670 WeakPolarHBondContact O-CG 3.36Å; I666-L670 PolarHBondContact O-N 3.36Å; I666-A681 HydrophobicContact CG2-CB 4.35Å; I666-L684 HydrophobicContact CD1-CD2 3.87Å; I666-L684 HydrophobicContact CD1-CG 4.04Å; I666-L684 HydrophobicContact CG1-CD2 4Å; I666-L684 HydrophobicContact CG1-CG 4.39Å; I666-S685 WeakPolarHBondContact CG2-OG 3.42Å; I666-L688 HydrophobicContact CD1-CD1 3.56Å; I666-F700 HydrophobicContact CD1-CE1 4.33Å; I666-F700 HydrophobicContact CD1-CZ 4.47Å; I666-L705 HydrophobicContact CB-CD2 4.31Å; I666-L705 HydrophobicContact CG2-CD1 4.15Å; I666-L705 HydrophobicContact CG2-CD2 4.07Å
667Y86.1Confident82.1Confident36.3333 Ų36.333330.4 Ų30.414%0.14214%0.141CC..Hα-helixtrans-58.4-45.2179-173.6-87.8000112.1T663 Q664 M665 L670 I671 L703 L705 L708 R1151 L1543T663-Y667 WeakPolarHBondContact O-CB 3.32Å; T663-Y667 PolarHBondContact O-N 2.96Å; Q664-Y667 WeakPolarHBondContact O-CB 3.44Å; Q664-Y667 PolarHBondContact O-N 3.3Å; M665-Y667 VanDerWaalsContact C-N 3.33Å; M665-Y667 PolarHBondContact O-N 3.26Å; Y667-L670 PolarHBondContact O-N 3.03Å; Y667-I671 HydrophobicContact CD1-CD1 3.79Å; Y667-I671 HydrophobicContact CE1-CD1 3.23Å; Y667-I671 HydrophobicContact CE1-CG1 4.4Å; Y667-I671 HydrophobicContact CE2-CD1 4.34Å; Y667-I671 HydrophobicContact CG-CD1 4.43Å; Y667-I671 VanDerWaalsContact CZ-CD1 3.49Å; Y667-I671 WeakPolarHBondContact O-CG1 3.33Å; Y667-I671 PolarHBondContact O-N 3Å; Y667-L703 WeakPolarHBondContact CE2-O 3.47Å; Y667-L705 HydrophobicContact CD2-CD1 3.97Å; Y667-L705 HydrophobicContact CD2-CG 4.16Å; Y667-L708 HydrophobicContact CD2-CD2 3.75Å; Y667-L708 HydrophobicContact CE2-CB 4.33Å; Y667-L708 HydrophobicContact CE2-CD2 3.76Å; Y667-L708 HydrophobicContact CG-CD2 4.36Å; Y667-R1151 PolarHBondContact OH-NH1 3.35Å; Y667-R1151 VanDerWaalsContact OH-NH1 3.14Å; Y667-L1543 HydrophobicContact CE1-CD2 3.64Å
668T82.7Confident82.4Confident34.3333 Ų34.333329.7 Ų29.721%0.21114%0.136CC..Hα-helixtrans-67-39.6176.7460000112.8F618 Q664 M665 I666 L670 I671 E672F618-T668 VanDerWaalsContact CE1-OG1 3.31Å; F618-T668 WeakPolarHBondContact CE1-OG1 3.35Å; Q664-T668 WeakPolarHBondContact O-CG2 3.3Å; Q664-T668 PolarHBondContact O-N 3.05Å; Q664-T668 VanDerWaalsContact O-N 3.11Å; Q664-T668 PolarHBondContact O-OG1 3.11Å; Q664-T668 VanDerWaalsContact O-OG1 3.08Å; M665-T668 WeakPolarHBondContact CA-OG1 3.37Å; M665-T668 PolarHBondContact O-N 2.69Å; M665-T668 PolarHBondContact O-OG1 3.27Å; I666-T668 VanDerWaalsContact C-N 3.33Å; I666-T668 PolarHBondContact O-N 3.3Å; T668-L670 VanDerWaalsContact C-N 3.32Å; T668-L670 PolarHBondContact O-N 3.39Å; T668-I671 PolarHBondContact O-N 2.99Å; T668-I671 VanDerWaalsContact O-N 3.11Å; T668-E672 WeakPolarHBondContact CB-OE1 3.41Å; T668-E672 WeakPolarHBondContact O-CB 3.34Å; T668-E672 PolarHBondContact O-N 3.3Å; T668-E672 VanDerWaalsContact O-N 3.07Å
669V84.6Confident82.5Confident0 Ų030 Ų300%014%0.138CC..Hα-helixtrans-62.1-39.1175.3174.30000111.6F618 T630 M665 I666 I671 E673 L677 A681F618-V669 HydrophobicContact CE1-CG2 4.4Å; F618-V669 HydrophobicContact CE2-CG2 3.52Å; F618-V669 VanDerWaalsContact CE2-CG2 3.41Å; F618-V669 HydrophobicContact CZ-CG2 3.41Å; T630-V669 HydrophobicContact CG2-CG1 4.39Å; T630-V669 HydrophobicContact CG2-CG2 4.24Å; M665-V669 VanDerWaalsContact O-CG2 3.26Å; M665-V669 WeakPolarHBondContact O-CG2 3.28Å; M665-V669 PolarHBondContact O-N 2.83Å; M665-V669 VanDerWaalsContact O-N 3.14Å; I666-V669 PolarHBondContact O-N 3.1Å; V669-I671 PolarHBondContact O-N 3.39Å; V669-E673 HydrophobicContact CG1-CB 4.13Å; V669-E673 HydrophobicContact CG1-CG 4.33Å; V669-E673 HydrophobicContact CG2-CG 4.45Å; V669-E673 WeakPolarHBondContact O-CB 3.38Å; V669-E673 PolarHBondContact O-N 3.09Å; V669-L677 HydrophobicContact CG1-CB 4.06Å; V669-L677 HydrophobicContact CG1-CD2 3.98Å; V669-L677 HydrophobicContact CG1-CG 3.78Å; V669-L677 HydrophobicContact CG2-CD2 4.48Å; V669-A681 HydrophobicContact CB-CB 4.21Å; V669-A681 HydrophobicContact CG1-CB 3.7Å
670L84.1Confident82.5Confident3.33333 Ų3.3333333 Ų332%0.01715%0.149CC..Hα-helixtrans-68.3-15.7178.8-70.6178.8000114.2I666 Y667 T668 I678 A681 L682 L705 L708 I709 I712I666-L670 HydrophobicContact CG2-CD1 4.1Å; I666-L670 HydrophobicContact CG2-CG 4.32Å; I666-L670 VanDerWaalsContact O-CG 3.29Å; I666-L670 WeakPolarHBondContact O-CG 3.36Å; I666-L670 PolarHBondContact O-N 3.36Å; Y667-L670 PolarHBondContact O-N 3.03Å; T668-L670 VanDerWaalsContact C-N 3.32Å; T668-L670 PolarHBondContact O-N 3.39Å; L670-I678 HydrophobicContact CD2-CG2 3.88Å; L670-A681 HydrophobicContact CD2-CB 3.83Å; L670-A681 HydrophobicContact CG-CB 4.21Å; L670-L682 HydrophobicContact CD2-CD2 4.05Å; L670-L682 HydrophobicContact CD2-CG 4.09Å; L670-L705 HydrophobicContact CD1-CD1 3.76Å; L670-L705 HydrophobicContact CD1-CD2 4.44Å; L670-L705 HydrophobicContact CD1-CG 4.36Å; L670-L708 HydrophobicContact CB-CD2 3.77Å; L670-L708 HydrophobicContact CB-CG 4.46Å; L670-L708 HydrophobicContact CD1-CD2 4.06Å; L670-I709 HydrophobicContact CD1-CG1 4.46Å; L670-I712 HydrophobicContact CB-CD1 4.07Å; L670-I712 HydrophobicContact CD1-CD1 4.35Å; L670-I712 HydrophobicContact CD2-CD1 4.07Å; L670-I712 HydrophobicContact CG-CD1 4.36Å
671I79Confident82.7Confident20.6667 Ų20.666731.4 Ų31.411%0.10614%0.142CC..Hα-helixtrans-105.3-44-177.3-70.6175.7000112.1Y667 T668 V669 L708 H1546Y667-I671 HydrophobicContact CD1-CD1 3.79Å; Y667-I671 HydrophobicContact CE1-CD1 3.23Å; Y667-I671 HydrophobicContact CE1-CG1 4.4Å; Y667-I671 HydrophobicContact CE2-CD1 4.34Å; Y667-I671 HydrophobicContact CG-CD1 4.43Å; Y667-I671 VanDerWaalsContact CZ-CD1 3.49Å; Y667-I671 WeakPolarHBondContact O-CG1 3.33Å; Y667-I671 PolarHBondContact O-N 3Å; T668-I671 PolarHBondContact O-N 2.99Å; T668-I671 VanDerWaalsContact O-N 3.11Å; V669-I671 PolarHBondContact O-N 3.39Å; I671-L708 HydrophobicContact CD1-CD1 4.38Å; I671-L708 HydrophobicContact CD1-CD2 4.19Å; I671-L708 HydrophobicContact CG1-CD1 4.08Å; I671-L708 HydrophobicContact CG1-CD2 4.01Å; I671-H1546 HydrophobicContact CG2-CB 4.21Å
672E75.8Confident82.9Confident92 Ų9230.5 Ų30.543%0.4314%0.136SC..Hα-helixtrans-100.8-22.2-166.4-62.9-178.4-153.500114.5R626 T668R626-E672 IonicContact CZ-OE2 3.25Å; R626-E672 VanDerWaalsContact CZ-OE2 3.24Å; R626-E672 IonicContact NH1-OE2 2.89Å; R626-E672 PolarHBondContact NH1-OE2 3.15Å; R626-E672 IonicContact NH2-OE2 3.56Å; R626-E672 PolarHBondContact NH2-OE2 3.47Å; T668-E672 WeakPolarHBondContact CB-OE1 3.41Å; T668-E672 WeakPolarHBondContact O-CB 3.34Å; T668-E672 PolarHBondContact O-N 3.3Å; T668-E672 VanDerWaalsContact O-N 3.07Å
673E75.5Confident82.9Confident11.6667 Ų11.666731.7 Ų31.76%0.05514%0.141CC..SBendtrans-102.7170-164.2-70-67172.900114.6S623 R626 V669 L677 I678S623-E673 WeakPolarHBondContact CA-OE1 3.42Å; S623-E673 VanDerWaalsContact CB-OE1 3.31Å; S623-E673 WeakPolarHBondContact CB-OE1 3.48Å; S623-E673 PolarHBondContact OG-OE2 3.23Å; R626-E673 WeakPolarHBondContact CD-OE1 3.39Å; R626-E673 IonicContact CZ-OE1 2.92Å; R626-E673 VanDerWaalsContact CZ-OE1 3.27Å; R626-E673 IonicContact NE-OE1 3.22Å; R626-E673 PolarHBondContact NE-OE1 3.22Å; R626-E673 IonicContact NH1-OE1 3.64Å; R626-E673 PolarHBondContact NH1-OE1 3.2Å; R626-E673 IonicContact NH2-OE1 2.77Å; R626-E673 PolarHBondContact NH2-OE1 3.36Å; V669-E673 HydrophobicContact CG1-CB 4.13Å; V669-E673 HydrophobicContact CG1-CG 4.33Å; V669-E673 HydrophobicContact CG2-CG 4.45Å; V669-E673 WeakPolarHBondContact O-CB 3.38Å; V669-E673 PolarHBondContact O-N 3.09Å; E673-L677 HydrophobicContact CB-CB 4.02Å; E673-L677 HydrophobicContact CB-CD1 3.76Å; E673-L677 HydrophobicContact CB-CD2 3.89Å; E673-L677 HydrophobicContact CB-CG 4.47Å; E673-L677 HydrophobicContact CG-CD1 3.9Å; E673-L677 HydrophobicContact CG-CD2 3.9Å; E673-L677 WeakPolarHBondContact OE2-CD1 3.3Å; E673-I678 WeakPolarHBondContact O-CD1 3.49Å; E673-I678 WeakPolarHBondContact O-CG1 3.27Å
674R73.5Confident83Confident161.333 Ų161.33331.7 Ų31.761%0.60914%0.142SC*.  trans-67.2156.3-177-56.1-176.7-173.8-155.62.1112.2E676 L677 I678R674-E676 VanDerWaalsContact C-N 3.26Å; R674-E676 PolarHBondContact O-N 3.15Å; R674-E676 VanDerWaalsContact O-N 3.12Å; R674-L677 WeakPolarHBondContact O-CA 3.3Å; R674-L677 WeakPolarHBondContact O-CB 3.26Å; R674-L677 PolarHBondContact O-N 3.17Å; R674-I678 WeakPolarHBondContact O-CG1 3.41Å; R674-I678 PolarHBondContact O-N 3.08Å
675E75.3Confident83.2Confident32.3333 Ų32.333327.9 Ų27.915%0.15112%0.124CC..Hα-helixtrans-51.4-38.3179.6-64.9-168-161.200114.1L677 I678 S679 L1364 I1367 R1368 M1371E675-L677 VanDerWaalsContact C-N 3.28Å; E675-L677 PolarHBondContact O-N 3.33Å; E675-I678 PolarHBondContact O-N 3.41Å; E675-S679 WeakPolarHBondContact O-CB 3.34Å; E675-S679 PolarHBondContact O-N 3.22Å; E675-L1364 HydrophobicContact CB-CD1 4.5Å; E675-L1364 VanDerWaalsContact OE2-CD1 3.3Å; E675-L1364 WeakPolarHBondContact OE2-CD1 3.45Å; E675-I1367 HydrophobicContact CB-CG2 4.4Å; E675-R1368 IonicContact OE1-CZ 3.15Å; E675-R1368 IonicContact OE1-NE 3.67Å; E675-R1368 PolarHBondContact OE1-NE 3.1Å; E675-R1368 VanDerWaalsContact OE1-NE 3.15Å; E675-R1368 IonicContact OE1-NH2 3.24Å; E675-R1368 PolarHBondContact OE1-NH2 3.19Å; E675-R1368 WeakPolarHBondContact OE2-CG 3.42Å; E675-R1368 IonicContact OE2-CZ 3.94Å; E675-R1368 IonicContact OE2-NE 3.54Å; E675-R1368 PolarHBondContact OE2-NE 3.34Å; E675-R1368 IonicContact OE2-NH2 3.19Å; E675-M1371 HydrophobicContact CB-CE 3.75Å; E675-M1371 HydrophobicContact CB-SD 4.21Å; E675-M1371 HydrophobicContact CG-CE 3.99Å; E675-M1371 WeakPolarHBondContact OE2-CE 3.41Å
676E77.4Confident83.2Confident79 Ų7928.8 Ų28.837%0.36913%0.129SC..Hα-helixtrans-61.4-37.7175.8-65-171.6152.900112.7R674 S679 R680 R1363 I1367R674-E676 VanDerWaalsContact C-N 3.26Å; R674-E676 PolarHBondContact O-N 3.15Å; R674-E676 VanDerWaalsContact O-N 3.12Å; E676-S679 WeakPolarHBondContact O-CB 3.36Å; E676-S679 PolarHBondContact O-N 2.75Å; E676-S679 PolarHBondContact O-OG 3.27Å; E676-R680 WeakPolarHBondContact O-CG 3.26Å; E676-R680 PolarHBondContact O-N 3.19Å; E676-R680 VanDerWaalsContact O-N 3.15Å; E676-R1363 IonicContact OE1-CZ 2.66Å; E676-R1363 IonicContact OE1-NE 3.21Å; E676-R1363 PolarHBondContact OE1-NE 3.3Å; E676-R1363 IonicContact OE1-NH2 3.13Å; E676-R1363 PolarHBondContact OE1-NH2 3.34Å; E676-R1363 IonicContact OE2-NH2 3.58Å; E676-I1367 HydrophobicContact CG-CD1 3.95Å
677L80.1Confident83.2Confident1.33333 Ų1.3333331.5 Ų31.51%0.00714%0.139CC..Hα-helixtrans-78.4-34.9177.2-99.4146.2000112.2H627 T630 V669 E673 R674 E675 S679 R680 A681H627-L677 HydrophobicContact CB-CD1 3.93Å; H627-L677 HydrophobicContact CB-CD2 4.29Å; H627-L677 WeakPolarHBondContact ND1-CD1 3.45Å; H627-L677 VanDerWaalsContact ND1-CD2 3.3Å; H627-L677 WeakPolarHBondContact ND1-CD2 3.15Å; H627-L677 WeakPolarHBondContact ND1-CG 3.43Å; T630-L677 HydrophobicContact CG2-CD1 3.75Å; T630-L677 HydrophobicContact CG2-CD2 4.12Å; T630-L677 HydrophobicContact CG2-CG 4Å; V669-L677 HydrophobicContact CG1-CB 4.06Å; V669-L677 HydrophobicContact CG1-CD2 3.98Å; V669-L677 HydrophobicContact CG1-CG 3.78Å; V669-L677 HydrophobicContact CG2-CD2 4.48Å; E673-L677 HydrophobicContact CB-CB 4.02Å; E673-L677 HydrophobicContact CB-CD1 3.76Å; E673-L677 HydrophobicContact CB-CD2 3.89Å; E673-L677 HydrophobicContact CB-CG 4.47Å; E673-L677 HydrophobicContact CG-CD1 3.9Å; E673-L677 HydrophobicContact CG-CD2 3.9Å; E673-L677 WeakPolarHBondContact OE2-CD1 3.3Å; R674-L677 WeakPolarHBondContact O-CA 3.3Å; R674-L677 WeakPolarHBondContact O-CB 3.26Å; R674-L677 PolarHBondContact O-N 3.17Å; E675-L677 VanDerWaalsContact C-N 3.28Å; E675-L677 PolarHBondContact O-N 3.33Å; L677-S679 VanDerWaalsContact C-N 3.31Å; L677-S679 PolarHBondContact O-N 3.09Å; L677-R680 HydrophobicContact CD1-CB 4.42Å; L677-R680 CarbonylContact O-C 3.51Å; L677-R680 WeakPolarHBondContact O-CA 3.19Å; L677-R680 WeakPolarHBondContact O-CB 3.42Å; L677-R680 PolarHBondContact O-N 3.15Å; L677-A681 WeakPolarHBondContact O-CB 3.45Å; L677-A681 PolarHBondContact O-N 3.15Å
678I83.7Confident83.3Confident10 Ų1029.8 Ų29.85%0.05113%0.132CC..Hα-helixtrans-58-46.7170.8-65.3173000109.6L670 E673 R674 E675 R680 A681 L682 M1371L670-I678 HydrophobicContact CD2-CG2 3.88Å; E673-I678 WeakPolarHBondContact O-CD1 3.49Å; E673-I678 WeakPolarHBondContact O-CG1 3.27Å; R674-I678 WeakPolarHBondContact O-CG1 3.41Å; R674-I678 PolarHBondContact O-N 3.08Å; E675-I678 PolarHBondContact O-N 3.41Å; I678-R680 VanDerWaalsContact C-N 3.29Å; I678-R680 PolarHBondContact O-N 3.16Å; I678-A681 PolarHBondContact O-N 2.89Å; I678-A681 VanDerWaalsContact O-N 3.15Å; I678-L682 HydrophobicContact CG2-CD1 4.19Å; I678-L682 HydrophobicContact CG2-CG 4.49Å; I678-L682 WeakPolarHBondContact O-CG 3.36Å; I678-L682 PolarHBondContact O-N 3.07Å; I678-M1371 HydrophobicContact CB-SD 3.96Å; I678-M1371 HydrophobicContact CG2-SD 3.74Å
679S84.5Confident83.6Confident9 Ų928.5 Ų28.56%0.06312%0.124CC..Hα-helixtrans-56.2-41.4173.91600000112.4E675 E676 L677 L682 E683 H1370 M1371E675-S679 WeakPolarHBondContact O-CB 3.34Å; E675-S679 PolarHBondContact O-N 3.22Å; E676-S679 WeakPolarHBondContact O-CB 3.36Å; E676-S679 PolarHBondContact O-N 2.75Å; E676-S679 PolarHBondContact O-OG 3.27Å; L677-S679 VanDerWaalsContact C-N 3.31Å; L677-S679 PolarHBondContact O-N 3.09Å; S679-L682 PolarHBondContact O-N 3.17Å; S679-E683 WeakPolarHBondContact O-CB 3.33Å; S679-E683 PolarHBondContact O-N 3.28Å; S679-H1370 PolarHBondContact OG-CD2 3.29Å; S679-H1370 VanDerWaalsContact OG-CD2 3.28Å; S679-M1371 VanDerWaalsContact CB-CG 3.5Å
680R86Confident83.6Confident63 Ų6332.9 Ų32.924%0.23815%0.148CC..Hα-helixtrans-71-34.5178-91.6-35.1166.7-161-7.3113.2L631 W634 E676 L677 I678 E683 L684L631-R680 HydrophobicContact CD2-CG 4.12Å; W634-R680 HydrophobicContact CB-CG 4.17Å; W634-R680 HydrophobicContact CD2-CG 4.36Å; W634-R680 VanDerWaalsContact CD2-NE 3.26Å; W634-R680 VanDerWaalsContact CE2-NE 3.32Å; W634-R680 HydrophobicContact CG-CG 3.83Å; W634-R680 VanDerWaalsContact CH2-CZ 3.49Å; W634-R680 VanDerWaalsContact CZ2-NH1 3.29Å; E676-R680 WeakPolarHBondContact O-CG 3.26Å; E676-R680 PolarHBondContact O-N 3.19Å; E676-R680 VanDerWaalsContact O-N 3.15Å; L677-R680 HydrophobicContact CD1-CB 4.42Å; L677-R680 CarbonylContact O-C 3.51Å; L677-R680 WeakPolarHBondContact O-CA 3.19Å; L677-R680 WeakPolarHBondContact O-CB 3.42Å; L677-R680 PolarHBondContact O-N 3.15Å; I678-R680 VanDerWaalsContact C-N 3.29Å; I678-R680 PolarHBondContact O-N 3.16Å; R680-E683 IonicContact CZ-OE1 2.64Å; R680-E683 IonicContact CZ-OE2 3.31Å; R680-E683 IonicContact NH1-OE1 3.09Å; R680-E683 PolarHBondContact NH1-OE1 3.28Å; R680-E683 IonicContact NH1-OE2 3.63Å; R680-E683 PolarHBondContact NH1-OE2 2.9Å; R680-E683 CarbonylContact O-C 3.6Å; R680-E683 WeakPolarHBondContact O-CB 3.36Å; R680-E683 PolarHBondContact O-N 3.06Å; R680-L684 VanDerWaalsContact O-CB 3.27Å; R680-L684 WeakPolarHBondContact O-CB 3.26Å; R680-L684 PolarHBondContact O-N 3.21Å
681A87.9Confident83.7Confident1.33333 Ų1.3333335.2 Ų35.21%0.01116%0.157CC..Hα-helixtrans-69-38.6174.400000112.3I666 V669 L670 L677 I678 L684 S685I666-A681 HydrophobicContact CG2-CB 4.35Å; V669-A681 HydrophobicContact CB-CB 4.21Å; V669-A681 HydrophobicContact CG1-CB 3.7Å; L670-A681 HydrophobicContact CD2-CB 3.83Å; L670-A681 HydrophobicContact CG-CB 4.21Å; L677-A681 WeakPolarHBondContact O-CB 3.45Å; L677-A681 PolarHBondContact O-N 3.15Å; I678-A681 PolarHBondContact O-N 2.89Å; I678-A681 VanDerWaalsContact O-N 3.15Å; A681-L684 WeakPolarHBondContact O-CB 3.41Å; A681-L684 PolarHBondContact O-N 3.11Å; A681-L684 VanDerWaalsContact O-N 3.15Å; A681-S685 WeakPolarHBondContact O-CB 3.26Å; A681-S685 PolarHBondContact O-N 3.03Å; A681-S685 PolarHBondContact O-OG 3.26Å
682L88Confident84Confident0 Ų034.2 Ų34.20%015%0.152CC..Hα-helixtrans-64.8-43.4171.4-65.4170.4000111.2L670 I678 S679 L684 S685 L686 I709 M1371 L1374 A1375 L1378L670-L682 HydrophobicContact CD2-CD2 4.05Å; L670-L682 HydrophobicContact CD2-CG 4.09Å; I678-L682 HydrophobicContact CG2-CD1 4.19Å; I678-L682 HydrophobicContact CG2-CG 4.49Å; I678-L682 WeakPolarHBondContact O-CG 3.36Å; I678-L682 PolarHBondContact O-N 3.07Å; S679-L682 PolarHBondContact O-N 3.17Å; L682-L684 VanDerWaalsContact C-N 3.31Å; L682-L684 PolarHBondContact O-N 3.19Å; L682-S685 VanDerWaalsContact CA-OG 3.28Å; L682-S685 WeakPolarHBondContact CA-OG 3.36Å; L682-S685 WeakPolarHBondContact O-CB 3.27Å; L682-S685 PolarHBondContact O-N 2.93Å; L682-S685 PolarHBondContact O-OG 3.01Å; L682-S685 VanDerWaalsContact O-OG 3.13Å; L682-L686 WeakPolarHBondContact O-CB 3.38Å; L682-L686 PolarHBondContact O-N 3.22Å; L682-L686 VanDerWaalsContact O-N 3.11Å; L682-I709 HydrophobicContact CD2-CG1 4.34Å; L682-M1371 HydrophobicContact CD1-CB 4.12Å; L682-M1371 HydrophobicContact CD1-CG 4.36Å; L682-L1374 HydrophobicContact CB-CB 4.06Å; L682-L1374 HydrophobicContact CB-CD1 4.25Å; L682-A1375 HydrophobicContact CD1-CB 4.25Å; L682-A1375 HydrophobicContact CD2-CB 4.37Å; L682-L1378 HydrophobicContact CB-CD1 4Å; L682-L1378 HydrophobicContact CD2-CD1 3.86Å; L682-L1378 HydrophobicContact CG-CD1 4.4Å
683E88.1Confident84.4Confident24.3333 Ų24.333332.4 Ų32.411%0.11415%0.149CC..Hα-helixtrans-62.8-33.4173.3-114-162.4-146.800113.2W634 S679 R680 R687 H1370 L1374W634-E683 WeakPolarHBondContact CZ2-OE1 3.48Å; W634-E683 VanDerWaalsContact CZ2-OE2 3.31Å; W634-E683 WeakPolarHBondContact CZ2-OE2 3.4Å; W634-E683 PolarHBondContact NE1-OE2 3.17Å; W634-E683 VanDerWaalsContact NE1-OE2 3.16Å; S679-E683 WeakPolarHBondContact O-CB 3.33Å; S679-E683 PolarHBondContact O-N 3.28Å; R680-E683 IonicContact CZ-OE1 2.64Å; R680-E683 IonicContact CZ-OE2 3.31Å; R680-E683 IonicContact NH1-OE1 3.09Å; R680-E683 PolarHBondContact NH1-OE1 3.28Å; R680-E683 IonicContact NH1-OE2 3.63Å; R680-E683 PolarHBondContact NH1-OE2 2.9Å; R680-E683 CarbonylContact O-C 3.6Å; R680-E683 WeakPolarHBondContact O-CB 3.36Å; R680-E683 PolarHBondContact O-N 3.06Å; E683-R687 VanDerWaalsContact CG-NH1 3.3Å; E683-R687 VanDerWaalsContact O-CG 3.32Å; E683-R687 WeakPolarHBondContact O-CG 3.39Å; E683-R687 PolarHBondContact O-N 3.02Å; E683-R687 PolarHBondContact O-NH1 2.96Å; E683-R687 IonicContact OE1-CZ 3.59Å; E683-R687 IonicContact OE1-NH1 2.89Å; E683-R687 PolarHBondContact OE1-NH1 3.46Å; E683-R687 IonicContact OE1-NH2 3.63Å; E683-R687 PolarHBondContact OE1-NH2 3.4Å; E683-R687 IonicContact OE2-CZ 3.36Å; E683-R687 IonicContact OE2-NH1 3.49Å; E683-R687 PolarHBondContact OE2-NH1 3.35Å; E683-R687 IonicContact OE2-NH2 3.46Å; E683-R687 PolarHBondContact OE2-NH2 3.33Å; E683-R687 VanDerWaalsContact OE2-NH2 3.08Å; E683-H1370 IonicContact OE1-CE1 2.76Å; E683-H1370 IonicContact OE1-NE2 3.32Å; E683-H1370 PolarHBondContact OE1-NE2 3.1Å; E683-L1374 HydrophobicContact CB-CD1 4.2Å; E683-L1374 HydrophobicContact CG-CD1 3.67Å; E683-L1374 HydrophobicContact CG-CD2 3.93Å; E683-L1374 HydrophobicContact CG-CG 4.48Å
684L89.7Confident84.6Confident1 Ų135.5 Ų35.51%0.00516%0.163CC..Hα-helixtrans-71.1-49.4176.6-173.582.3000110.4V633 W634 I637 M665 I666 R680 A681 L682 L686 R687 L688V633-L684 HydrophobicContact CG1-CD1 4.19Å; V633-L684 HydrophobicContact CG1-CD2 4.25Å; W634-L684 HydrophobicContact CB-CD1 4.13Å; I637-L684 HydrophobicContact CB-CD1 3.97Å; I637-L684 HydrophobicContact CD1-CD1 3.99Å; I637-L684 HydrophobicContact CD1-CD2 4.08Å; I637-L684 HydrophobicContact CD1-CG 4.3Å; I637-L684 HydrophobicContact CG1-CD1 4.47Å; I637-L684 HydrophobicContact CG2-CD1 3.79Å; M665-L684 HydrophobicContact CE-CD1 4.41Å; M665-L684 HydrophobicContact CE-CD2 4.23Å; I666-L684 HydrophobicContact CD1-CD2 3.87Å; I666-L684 HydrophobicContact CD1-CG 4.04Å; I666-L684 HydrophobicContact CG1-CD2 4Å; I666-L684 HydrophobicContact CG1-CG 4.39Å; R680-L684 VanDerWaalsContact O-CB 3.27Å; R680-L684 WeakPolarHBondContact O-CB 3.26Å; R680-L684 PolarHBondContact O-N 3.21Å; A681-L684 WeakPolarHBondContact O-CB 3.41Å; A681-L684 PolarHBondContact O-N 3.11Å; A681-L684 VanDerWaalsContact O-N 3.15Å; L682-L684 VanDerWaalsContact C-N 3.31Å; L682-L684 PolarHBondContact O-N 3.19Å; L684-L686 VanDerWaalsContact C-N 3.28Å; L684-L686 PolarHBondContact O-N 3.05Å; L684-R687 WeakPolarHBondContact O-CA 3.35Å; L684-R687 WeakPolarHBondContact O-CB 3.3Å; L684-R687 PolarHBondContact O-N 3.02Å; L684-R687 VanDerWaalsContact O-N 3.09Å; L684-L688 HydrophobicContact CD1-CD1 4.4Å; L684-L688 HydrophobicContact CD1-CG 4.35Å; L684-L688 HydrophobicContact CD2-CD1 3.52Å; L684-L688 HydrophobicContact CD2-CD2 4.46Å; L684-L688 HydrophobicContact CD2-CG 3.85Å; L684-L688 HydrophobicContact CG-CD1 4.28Å; L684-L688 WeakPolarHBondContact O-CG 3.37Å; L684-L688 PolarHBondContact O-N 2.98Å
685S88.9Confident85.1Confident0 Ų028.1 Ų28.10%014%0.136CC..Hα-helixtrans-59.4-40178.820.30000112.1I666 A681 L682 R687 L688 L689 L1378I666-S685 WeakPolarHBondContact CG2-OG 3.42Å; A681-S685 WeakPolarHBondContact O-CB 3.26Å; A681-S685 PolarHBondContact O-N 3.03Å; A681-S685 PolarHBondContact O-OG 3.26Å; L682-S685 VanDerWaalsContact CA-OG 3.28Å; L682-S685 WeakPolarHBondContact CA-OG 3.36Å; L682-S685 WeakPolarHBondContact O-CB 3.27Å; L682-S685 PolarHBondContact O-N 2.93Å; L682-S685 PolarHBondContact O-OG 3.01Å; L682-S685 VanDerWaalsContact O-OG 3.13Å; S685-R687 VanDerWaalsContact C-N 3.33Å; S685-R687 PolarHBondContact O-N 2.9Å; S685-L688 PolarHBondContact O-N 3.38Å; S685-L689 WeakPolarHBondContact O-CG 3.48Å; S685-L689 PolarHBondContact O-N 3.23Å; S685-L689 VanDerWaalsContact O-N 3.11Å; S685-L1378 WeakPolarHBondContact OG-CD1 3.3Å
686L89.1Confident85.7Confident23 Ų2326.6 Ų26.612%0.1213%0.128CC..Hα-helixtrans-65.7-37.2175.7-174.562.6000111.8L682 L684 L689 N690 L1374 Q1377 L1378L682-L686 WeakPolarHBondContact O-CB 3.38Å; L682-L686 PolarHBondContact O-N 3.22Å; L682-L686 VanDerWaalsContact O-N 3.11Å; L684-L686 VanDerWaalsContact C-N 3.28Å; L684-L686 PolarHBondContact O-N 3.05Å; L686-L689 PolarHBondContact O-N 3.35Å; L686-N690 VanDerWaalsContact O-CB 3.31Å; L686-N690 WeakPolarHBondContact O-CB 3.27Å; L686-N690 VanDerWaalsContact O-CG 3.24Å; L686-N690 PolarHBondContact O-N 3.37Å; L686-N690 VanDerWaalsContact O-N 3.09Å; L686-N690 PolarHBondContact O-ND2 2.92Å; L686-L1374 HydrophobicContact CD2-CD2 4.17Å; L686-Q1377 HydrophobicContact CD2-CB 4.4Å; L686-L1378 HydrophobicContact CB-CD2 3.81Å; L686-L1378 HydrophobicContact CB-CG 4.17Å; L686-L1378 HydrophobicContact CD1-CD2 4.05Å; L686-L1378 HydrophobicContact CD1-CG 4.31Å
687R87.1Confident86Confident57.6667 Ų57.666723.9 Ų23.922%0.21812%0.117CC..Hα-helixtrans-69.2-36.4175-77.2-174.8178.385.3-3.3113W634 E683 L684 S685 L689 N690 K691W634-R687 VanDerWaalsContact CE2-NH1 3.29Å; E683-R687 VanDerWaalsContact CG-NH1 3.3Å; E683-R687 VanDerWaalsContact O-CG 3.32Å; E683-R687 WeakPolarHBondContact O-CG 3.39Å; E683-R687 PolarHBondContact O-N 3.02Å; E683-R687 PolarHBondContact O-NH1 2.96Å; E683-R687 IonicContact OE1-CZ 3.59Å; E683-R687 IonicContact OE1-NH1 2.89Å; E683-R687 PolarHBondContact OE1-NH1 3.46Å; E683-R687 IonicContact OE1-NH2 3.63Å; E683-R687 PolarHBondContact OE1-NH2 3.4Å; E683-R687 IonicContact OE2-CZ 3.36Å; E683-R687 IonicContact OE2-NH1 3.49Å; E683-R687 PolarHBondContact OE2-NH1 3.35Å; E683-R687 IonicContact OE2-NH2 3.46Å; E683-R687 PolarHBondContact OE2-NH2 3.33Å; E683-R687 VanDerWaalsContact OE2-NH2 3.08Å; L684-R687 WeakPolarHBondContact O-CA 3.35Å; L684-R687 WeakPolarHBondContact O-CB 3.3Å; L684-R687 PolarHBondContact O-N 3.02Å; L684-R687 VanDerWaalsContact O-N 3.09Å; S685-R687 VanDerWaalsContact C-N 3.33Å; S685-R687 PolarHBondContact O-N 2.9Å; R687-L689 VanDerWaalsContact C-N 3.3Å; R687-L689 PolarHBondContact O-N 3.33Å; R687-N690 PolarHBondContact O-N 2.86Å; R687-K691 WeakPolarHBondContact O-CB 3.14Å; R687-K691 WeakPolarHBondContact O-CG 3.41Å; R687-K691 PolarHBondContact O-N 3.4Å; R687-K691 VanDerWaalsContact O-N 3.08Å
688L89.3Confident86Confident0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-64.3-45.5175.4-68.8176.5000111.3I637 L645 L662 I666 L684 S685 N690 K691 T692 Y696 F700I637-L688 HydrophobicContact CD1-CD2 4.29Å; I637-L688 HydrophobicContact CG2-CD2 3.8Å; I637-L688 HydrophobicContact CG2-CG 4.45Å; L645-L688 HydrophobicContact CD1-CD2 4.11Å; L645-L688 HydrophobicContact CD2-CD2 3.82Å; L645-L688 HydrophobicContact CG-CD2 4.49Å; L662-L688 HydrophobicContact CD2-CD1 3.76Å; L662-L688 HydrophobicContact CD2-CD2 3.93Å; L662-L688 HydrophobicContact CD2-CG 4.45Å; L662-L688 HydrophobicContact CG-CD1 4.41Å; I666-L688 HydrophobicContact CD1-CD1 3.56Å; L684-L688 HydrophobicContact CD1-CD1 4.4Å; L684-L688 HydrophobicContact CD1-CG 4.35Å; L684-L688 HydrophobicContact CD2-CD1 3.52Å; L684-L688 HydrophobicContact CD2-CD2 4.46Å; L684-L688 HydrophobicContact CD2-CG 3.85Å; L684-L688 HydrophobicContact CG-CD1 4.28Å; L684-L688 WeakPolarHBondContact O-CG 3.37Å; L684-L688 PolarHBondContact O-N 2.98Å; S685-L688 PolarHBondContact O-N 3.38Å; L688-N690 VanDerWaalsContact C-N 3.32Å; L688-N690 PolarHBondContact O-N 3.21Å; L688-K691 PolarHBondContact O-N 2.9Å; L688-T692 CarbonylContact O-C 3.52Å; L688-T692 PolarHBondContact O-N 3Å; L688-T692 PolarHBondContact O-OG1 3.26Å; L688-Y696 HydrophobicContact CB-CD1 4.25Å; L688-Y696 HydrophobicContact CB-CD2 3.82Å; L688-Y696 HydrophobicContact CB-CE1 4.47Å; L688-Y696 HydrophobicContact CB-CE2 4.14Å; L688-Y696 HydrophobicContact CB-CG 3.87Å; L688-Y696 HydrophobicContact CD1-CD1 4Å; L688-Y696 HydrophobicContact CD1-CE1 3.78Å; L688-Y696 HydrophobicContact CD1-CE2 4.41Å; L688-Y696 HydrophobicContact CD1-CG 4.31Å; L688-Y696 HydrophobicContact CD2-CD2 4.35Å; L688-Y696 HydrophobicContact CD2-CE1 4.35Å; L688-Y696 HydrophobicContact CD2-CE2 3.78Å; L688-Y696 HydrophobicContact CG-CD2 4.43Å; L688-Y696 HydrophobicContact CG-CE1 4.41Å; L688-Y696 HydrophobicContact CG-CE2 4.25Å; L688-F700 HydrophobicContact CB-CZ 4.37Å; L688-F700 HydrophobicContact CD1-CE1 4.47Å; L688-F700 HydrophobicContact CD1-CZ 4.31Å
689L87Confident85.9Confident7.33333 Ų7.3333326.4 Ų26.44%0.03813%0.131CC..Hα-helixtrans-62.9-38.5174.5-67.8172.4000112.5S685 L686 R687 K691 P693 V697 F700 L1378 L1382S685-L689 WeakPolarHBondContact O-CG 3.48Å; S685-L689 PolarHBondContact O-N 3.23Å; S685-L689 VanDerWaalsContact O-N 3.11Å; L686-L689 PolarHBondContact O-N 3.35Å; R687-L689 VanDerWaalsContact C-N 3.3Å; R687-L689 PolarHBondContact O-N 3.33Å; L689-K691 VanDerWaalsContact C-N 3.29Å; L689-K691 PolarHBondContact O-N 3.26Å; L689-P693 WeakPolarHBondContact O-CA 3.18Å; L689-P693 VanDerWaalsContact O-CB 3.24Å; L689-P693 WeakPolarHBondContact O-CB 3.4Å; L689-P693 VanDerWaalsContact O-CD 3.29Å; L689-P693 WeakPolarHBondContact O-CD 3.28Å; L689-V697 HydrophobicContact CD2-CB 4.47Å; L689-V697 HydrophobicContact CD2-CG2 3.58Å; L689-F700 HydrophobicContact CD1-CD2 4.17Å; L689-F700 HydrophobicContact CD1-CE2 3.84Å; L689-F700 HydrophobicContact CD2-CD2 4.04Å; L689-F700 HydrophobicContact CD2-CE2 3.95Å; L689-F700 HydrophobicContact CG-CD2 4.21Å; L689-F700 HydrophobicContact CG-CE2 3.69Å; L689-F700 HydrophobicContact CG-CZ 4.4Å; L689-L1378 HydrophobicContact CD1-CD2 3.72Å; L689-L1378 HydrophobicContact CD1-CG 4.16Å; L689-L1382 HydrophobicContact CD1-CD1 4.18Å; L689-L1382 HydrophobicContact CD1-CD2 3.83Å; L689-L1382 HydrophobicContact CD1-CG 3.9Å; L689-L1382 HydrophobicContact CD2-CD2 3.88Å; L689-L1382 HydrophobicContact CG-CD2 4.47Å
690N86.1Confident86Confident93 Ų9326 Ų2650%0.49713%0.128SC..Hα-helixtrans-71.7-22.5178.1-73.5-25.4000114L686 R687 L688L686-N690 VanDerWaalsContact O-CB 3.31Å; L686-N690 WeakPolarHBondContact O-CB 3.27Å; L686-N690 VanDerWaalsContact O-CG 3.24Å; L686-N690 PolarHBondContact O-N 3.37Å; L686-N690 VanDerWaalsContact O-N 3.09Å; L686-N690 PolarHBondContact O-ND2 2.92Å; R687-N690 PolarHBondContact O-N 2.86Å; L688-N690 VanDerWaalsContact C-N 3.32Å; L688-N690 PolarHBondContact O-N 3.21Å
691K85.8Confident85.7Confident50.3333 Ų50.333328.6 Ų28.622%0.21914%0.138CC..Hα-helixtrans-98.5-40.4-178.9-71.9-173.1-179.6-170.60113.3I637 Q638 M640 P642 L645 R687 L688 L689I637-K691 PolarHBondContact O-NZ 3.45Å; Q638-K691 PolarHBondContact O-NZ 2.98Å; M640-K691 PolarHBondContact O-NZ 3.12Å; P642-K691 HydrophobicContact CB-CB 4.34Å; P642-K691 WeakPolarHBondContact CB-O 3.32Å; P642-K691 HydrophobicContact CG-CG 4.47Å; L645-K691 HydrophobicContact CD2-CB 3.71Å; L645-K691 HydrophobicContact CD2-CD 4.12Å; R687-K691 WeakPolarHBondContact O-CB 3.14Å; R687-K691 WeakPolarHBondContact O-CG 3.41Å; R687-K691 PolarHBondContact O-N 3.4Å; R687-K691 VanDerWaalsContact O-N 3.08Å; L688-K691 PolarHBondContact O-N 2.9Å; L689-K691 VanDerWaalsContact C-N 3.29Å; L689-K691 PolarHBondContact O-N 3.26Å
692T85.2Confident85.2Confident0.666667 Ų0.66666731.4 Ų31.40%0.00415%0.149CC..  trans-143.864.5-174.144.10000111L645 E646 L688 H694 I695 Y696L645-T692 HydrophobicContact CB-CG2 4.38Å; L645-T692 HydrophobicContact CD2-CG2 4.24Å; L645-T692 WeakPolarHBondContact CD2-OG1 3.26Å; L645-T692 HydrophobicContact CG-CG2 4.26Å; E646-T692 HydrophobicContact CB-CG2 3.86Å; L688-T692 CarbonylContact O-C 3.52Å; L688-T692 PolarHBondContact O-N 3Å; L688-T692 PolarHBondContact O-OG1 3.26Å; T692-H694 VanDerWaalsContact C-N 3.33Å; T692-H694 PolarHBondContact O-N 3.32Å; T692-I695 PolarHBondContact O-N 2.82Å; T692-Y696 WeakPolarHBondContact O-CD2 3.42Å; T692-Y696 PolarHBondContact O-N 3.19Å; T692-Y696 VanDerWaalsContact OG1-CD2 3.26Å; T692-Y696 WeakPolarHBondContact OG1-CD2 3.34Å; T692-Y696 VanDerWaalsContact OG1-CE2 3.3Å; T692-Y696 WeakPolarHBondContact OG1-CE2 3.36Å
693P84.4Confident84.8Confident55 Ų5532.8 Ų32.836%0.35716%0.156SC..Hα-helixtrans-61-39.1-17322.3-31.5000112.9L689 I695 Y696 V697L689-P693 WeakPolarHBondContact O-CA 3.18Å; L689-P693 VanDerWaalsContact O-CB 3.24Å; L689-P693 WeakPolarHBondContact O-CB 3.4Å; L689-P693 VanDerWaalsContact O-CD 3.29Å; L689-P693 WeakPolarHBondContact O-CD 3.28Å; P693-I695 PolarHBondContact O-N 3.11Å; P693-I695 VanDerWaalsContact O-N 3.16Å; P693-Y696 PolarHBondContact O-N 3.03Å; P693-V697 HydrophobicContact CB-CG2 4.44Å; P693-V697 VanDerWaalsContact O-CB 3.27Å; P693-V697 WeakPolarHBondContact O-CB 3.43Å; P693-V697 VanDerWaalsContact O-CG2 3.25Å; P693-V697 WeakPolarHBondContact O-CG2 3.38Å; P693-V697 PolarHBondContact O-N 3.28Å
694H80.5Confident84.3Confident76 Ų7632 Ų3235%0.35216%0.155SC..Hα-helixtrans-59.7-28.8-177.359.5-59000113.8E646 T692 L698E646-H694 VanDerWaalsContact CD-NE2 3.3Å; E646-H694 IonicContact OE1-CD2 3.38Å; E646-H694 IonicContact OE1-CE1 2.9Å; E646-H694 IonicContact OE1-NE2 3.86Å; E646-H694 PolarHBondContact OE1-NE2 3.03Å; E646-H694 IonicContact OE2-CE1 3.22Å; E646-H694 PolarHBondContact OE2-CE1 2.88Å; E646-H694 VanDerWaalsContact OE2-CE1 3.29Å; E646-H694 IonicContact OE2-NE2 2.91Å; E646-H694 PolarHBondContact OE2-NE2 2.98Å; T692-H694 VanDerWaalsContact C-N 3.33Å; T692-H694 PolarHBondContact O-N 3.32Å; H694-L698 WeakPolarHBondContact O-CD1 3.39Å
695I83.8Confident84Confident6.66667 Ų6.6666732 Ų323%0.03416%0.155CC..Hα-helixtrans-86.2-55.9174.8-60.8177.2000110E646 L650 A659 T692 P693 V697 L698 V699 I1408 I1412E646-I695 HydrophobicContact CB-CD1 4.46Å; E646-I695 HydrophobicContact CG-CD1 4.06Å; L650-I695 HydrophobicContact CD1-CD1 4.22Å; L650-I695 HydrophobicContact CD2-CD1 4.05Å; L650-I695 HydrophobicContact CG-CD1 3.92Å; A659-I695 HydrophobicContact CB-CG2 3.71Å; T692-I695 PolarHBondContact O-N 2.82Å; P693-I695 PolarHBondContact O-N 3.11Å; P693-I695 VanDerWaalsContact O-N 3.16Å; I695-V697 PolarHBondContact O-N 3.19Å; I695-L698 PolarHBondContact O-N 3.02Å; I695-V699 HydrophobicContact CG2-CG2 4.35Å; I695-V699 WeakPolarHBondContact O-CG2 3.33Å; I695-V699 PolarHBondContact O-N 3.06Å; I695-V699 VanDerWaalsContact O-N 3.11Å; I695-I1408 HydrophobicContact CG1-CG2 4.35Å; I695-I1412 HydrophobicContact CB-CD1 4.25Å; I695-I1412 HydrophobicContact CG1-CD1 4.07Å; I695-I1412 HydrophobicContact CG2-CD1 3.94Å
696Y87Confident83.6Confident0 Ų033.7 Ų33.70%016%0.163CC..Hα-helixtrans-76.8-26.9-166.3-73.9-76000114.6L645 S649 A659 L662 L688 T692 P693 L698 V699 F700L645-Y696 HydrophobicContact CD2-CE2 4.34Å; L645-Y696 HydrophobicContact CG-CE2 4.43Å; S649-Y696 WeakPolarHBondContact OG-CE2 3.07Å; S649-Y696 PolarHBondContact OG-OH 3.28Å; S649-Y696 VanDerWaalsContact OG-OH 3.13Å; A659-Y696 HydrophobicContact CB-CE1 3.94Å; L662-Y696 HydrophobicContact CD2-CE1 4.22Å; L662-Y696 WeakPolarHBondContact CD2-OH 3.33Å; L688-Y696 HydrophobicContact CB-CD1 4.25Å; L688-Y696 HydrophobicContact CB-CD2 3.82Å; L688-Y696 HydrophobicContact CB-CE1 4.47Å; L688-Y696 HydrophobicContact CB-CE2 4.14Å; L688-Y696 HydrophobicContact CB-CG 3.87Å; L688-Y696 HydrophobicContact CD1-CD1 4Å; L688-Y696 HydrophobicContact CD1-CE1 3.78Å; L688-Y696 HydrophobicContact CD1-CE2 4.41Å; L688-Y696 HydrophobicContact CD1-CG 4.31Å; L688-Y696 HydrophobicContact CD2-CD2 4.35Å; L688-Y696 HydrophobicContact CD2-CE1 4.35Å; L688-Y696 HydrophobicContact CD2-CE2 3.78Å; L688-Y696 HydrophobicContact CG-CD2 4.43Å; L688-Y696 HydrophobicContact CG-CE1 4.41Å; L688-Y696 HydrophobicContact CG-CE2 4.25Å; T692-Y696 WeakPolarHBondContact O-CD2 3.42Å; T692-Y696 PolarHBondContact O-N 3.19Å; T692-Y696 VanDerWaalsContact OG1-CD2 3.26Å; T692-Y696 WeakPolarHBondContact OG1-CD2 3.34Å; T692-Y696 VanDerWaalsContact OG1-CE2 3.3Å; T692-Y696 WeakPolarHBondContact OG1-CE2 3.36Å; P693-Y696 PolarHBondContact O-N 3.03Å; Y696-L698 VanDerWaalsContact C-N 3.3Å; Y696-L698 PolarHBondContact O-N 3.16Å; Y696-V699 PolarHBondContact O-N 3.37Å; Y696-F700 HydrophobicContact CD1-CD1 4.34Å; Y696-F700 AromaticContact CD1-CE1 3.7Å; Y696-F700 HydrophobicContact CD1-CE1 3.7Å; Y696-F700 HydrophobicContact CD1-CZ 4.31Å; Y696-F700 HydrophobicContact CG-CE1 4.27Å; Y696-F700 HydrophobicContact CG-CZ 4.5Å; Y696-F700 WeakPolarHBondContact O-CB 3.23Å; Y696-F700 VanDerWaalsContact O-CD1 3.25Å; Y696-F700 WeakPolarHBondContact O-CD1 3.38Å; Y696-F700 WeakPolarHBondContact O-CG 3.25Å; Y696-F700 PolarHBondContact O-N 3.04Å
697V83.9Confident83.1Confident22.6667 Ų22.666734.8 Ų34.814%0.13717%0.172CC..Hα-helixtrans-58.3-45.8171.51730000110.3L689 P693 I695 Y701 L1382 D1385L689-V697 HydrophobicContact CD2-CB 4.47Å; L689-V697 HydrophobicContact CD2-CG2 3.58Å; P693-V697 HydrophobicContact CB-CG2 4.44Å; P693-V697 VanDerWaalsContact O-CB 3.27Å; P693-V697 WeakPolarHBondContact O-CB 3.43Å; P693-V697 VanDerWaalsContact O-CG2 3.25Å; P693-V697 WeakPolarHBondContact O-CG2 3.38Å; P693-V697 PolarHBondContact O-N 3.28Å; I695-V697 PolarHBondContact O-N 3.19Å; V697-Y701 WeakPolarHBondContact O-CB 3.14Å; V697-Y701 PolarHBondContact O-N 3.29Å; V697-L1382 HydrophobicContact CG1-CD2 4.49Å; V697-L1382 HydrophobicContact CG2-CD2 4.22Å; V697-D1385 HydrophobicContact CG1-CB 4.36Å; V697-D1385 HydrophobicContact CG2-CB 4.09Å
698L79.5Confident82.8Confident55.6667 Ų55.666732.7 Ų32.729%0.29117%0.165SC..Hα-helixtrans-66.5-46.3179-94.1148.5000111.7H694 I695 Y696 F700 Y701 R702 I1412 I1415H694-L698 WeakPolarHBondContact O-CD1 3.39Å; I695-L698 PolarHBondContact O-N 3.02Å; Y696-L698 VanDerWaalsContact C-N 3.3Å; Y696-L698 PolarHBondContact O-N 3.16Å; L698-F700 VanDerWaalsContact C-N 3.34Å; L698-F700 PolarHBondContact O-N 3.01Å; L698-Y701 PolarHBondContact O-N 3.1Å; L698-R702 WeakPolarHBondContact O-CB 3.44Å; L698-R702 WeakPolarHBondContact O-CD 3.29Å; L698-R702 WeakPolarHBondContact O-CG 3.42Å; L698-R702 PolarHBondContact O-N 2.95Å; L698-I1412 HydrophobicContact CD2-CB 4.23Å; L698-I1412 HydrophobicContact CD2-CG2 3.83Å; L698-I1415 HydrophobicContact CD1-CD1 3.74Å; L698-I1415 HydrophobicContact CD1-CG1 4Å; L698-I1415 HydrophobicContact CD2-CD1 3.88Å; L698-I1415 HydrophobicContact CD2-CG1 3.89Å; L698-I1415 HydrophobicContact CG-CD1 4.49Å
699V82.9Confident82.5Confident7.33333 Ų7.3333332.7 Ų32.74%0.04417%0.165CC..Hα-helixtrans-67.8-38.4-178.6179.90000111.6A659 F660 T663 I695 Y696 Y701 R702 L703 I1412A659-V699 HydrophobicContact CB-CG2 4.25Å; F660-V699 HydrophobicContact CD1-CG1 4.17Å; F660-V699 HydrophobicContact CD2-CG1 4.19Å; F660-V699 HydrophobicContact CE1-CG1 4.37Å; F660-V699 HydrophobicContact CE2-CG2 4.27Å; F660-V699 HydrophobicContact CG-CG1 4.26Å; F660-V699 HydrophobicContact CZ-CG2 4.46Å; T663-V699 HydrophobicContact CG2-CG1 4.04Å; T663-V699 VanDerWaalsContact OG1-CG1 3.31Å; T663-V699 WeakPolarHBondContact OG1-CG1 3.37Å; I695-V699 HydrophobicContact CG2-CG2 4.35Å; I695-V699 WeakPolarHBondContact O-CG2 3.33Å; I695-V699 PolarHBondContact O-N 3.06Å; I695-V699 VanDerWaalsContact O-N 3.11Å; Y696-V699 PolarHBondContact O-N 3.37Å; V699-Y701 VanDerWaalsContact C-N 3.33Å; V699-Y701 PolarHBondContact O-N 3.12Å; V699-R702 PolarHBondContact O-N 3.17Å; V699-L703 HydrophobicContact CG1-CD1 4Å; V699-L703 PolarHBondContact O-N 3.17Å; V699-I1412 HydrophobicContact CG2-CG2 3.54Å
700F86.1Confident82.2Confident0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-64.9-37.5176.6-72.67.7000112T663 I666 L688 L689 Y696 L698 G704 L705 I706 L1382T663-F700 HydrophobicContact CG2-CD1 3.57Å; T663-F700 HydrophobicContact CG2-CE1 3.87Å; I666-F700 HydrophobicContact CD1-CE1 4.33Å; I666-F700 HydrophobicContact CD1-CZ 4.47Å; L688-F700 HydrophobicContact CB-CZ 4.37Å; L688-F700 HydrophobicContact CD1-CE1 4.47Å; L688-F700 HydrophobicContact CD1-CZ 4.31Å; L689-F700 HydrophobicContact CD1-CD2 4.17Å; L689-F700 HydrophobicContact CD1-CE2 3.84Å; L689-F700 HydrophobicContact CD2-CD2 4.04Å; L689-F700 HydrophobicContact CD2-CE2 3.95Å; L689-F700 HydrophobicContact CG-CD2 4.21Å; L689-F700 HydrophobicContact CG-CE2 3.69Å; L689-F700 HydrophobicContact CG-CZ 4.4Å; Y696-F700 HydrophobicContact CD1-CD1 4.34Å; Y696-F700 AromaticContact CD1-CE1 3.7Å; Y696-F700 HydrophobicContact CD1-CE1 3.7Å; Y696-F700 HydrophobicContact CD1-CZ 4.31Å; Y696-F700 HydrophobicContact CG-CE1 4.27Å; Y696-F700 HydrophobicContact CG-CZ 4.5Å; Y696-F700 WeakPolarHBondContact O-CB 3.23Å; Y696-F700 VanDerWaalsContact O-CD1 3.25Å; Y696-F700 WeakPolarHBondContact O-CD1 3.38Å; Y696-F700 WeakPolarHBondContact O-CG 3.25Å; Y696-F700 PolarHBondContact O-N 3.04Å; L698-F700 VanDerWaalsContact C-N 3.34Å; L698-F700 PolarHBondContact O-N 3.01Å; F700-G704 PolarHBondContact O-N 3.16Å; F700-L705 HydrophobicContact CB-CB 4.14Å; F700-L705 HydrophobicContact CB-CD2 4.25Å; F700-L705 HydrophobicContact CD1-CD2 3.84Å; F700-L705 HydrophobicContact CD2-CD2 3.74Å; F700-L705 HydrophobicContact CE1-CD2 4.02Å; F700-L705 HydrophobicContact CE2-CD2 3.91Å; F700-L705 HydrophobicContact CG-CB 4.35Å; F700-L705 HydrophobicContact CG-CD2 3.87Å; F700-L705 HydrophobicContact CZ-CD2 3.96Å; F700-L705 WeakPolarHBondContact O-CB 3.44Å; F700-L705 PolarHBondContact O-N 3.06Å; F700-I706 HydrophobicContact CB-CG1 4.27Å; F700-L1382 HydrophobicContact CD2-CD1 4.34Å; F700-L1382 HydrophobicContact CD2-CD2 4.24Å
701Y79.3Confident81.9Confident118 Ų11834.1 Ų34.146%0.46317%0.169SC..Hα-helixtrans-65.1-50.3172.1-177.1-89.3000111.3V697 L698 V699 L703 G704 I706 F1149 L1418 Y1468V697-Y701 WeakPolarHBondContact O-CB 3.14Å; V697-Y701 PolarHBondContact O-N 3.29Å; L698-Y701 PolarHBondContact O-N 3.1Å; V699-Y701 VanDerWaalsContact C-N 3.33Å; V699-Y701 PolarHBondContact O-N 3.12Å; Y701-L703 VanDerWaalsContact C-N 3.28Å; Y701-L703 PolarHBondContact O-N 3.04Å; Y701-G704 PolarHBondContact O-N 3.21Å; Y701-G704 VanDerWaalsContact O-N 3.1Å; Y701-I706 HydrophobicContact CD2-CD1 4.25Å; Y701-F1149 AromaticContact CE1-CE2 3.86Å; Y701-F1149 HydrophobicContact CE1-CE2 3.86Å; Y701-F1149 HydrophobicContact CE1-CZ 4.32Å; Y701-F1149 AromaticContact CZ-CE2 3.88Å; Y701-L1418 HydrophobicContact CE1-CD2 4.23Å; Y701-Y1468 WeakPolarHBondContact O-CD1 3.43Å; Y701-Y1468 WeakPolarHBondContact O-CE1 3.3Å
702R77Confident81.7Confident60 Ų6032 Ų3223%0.22616%0.161CC..Hα-helixtrans-62.1-33.1-177.7-70.4-173.1101.7-151.4-5.8113.8L698 V699 G704 I1412 Q1463 T1464 T1466 E1469L698-R702 WeakPolarHBondContact O-CB 3.44Å; L698-R702 WeakPolarHBondContact O-CD 3.29Å; L698-R702 WeakPolarHBondContact O-CG 3.42Å; L698-R702 PolarHBondContact O-N 2.95Å; V699-R702 PolarHBondContact O-N 3.17Å; R702-G704 VanDerWaalsContact C-N 3.33Å; R702-I1412 PolarHBondContact NH1-O 2.9Å; R702-I1412 VanDerWaalsContact NH1-O 3.08Å; R702-Q1463 PolarHBondContact NH1-O 2.86Å; R702-Q1463 PolarHBondContact NH2-O 3.19Å; R702-T1464 PolarHBondContact NH2-O 3.08Å; R702-T1466 HydrophobicContact CB-CG2 4.37Å; R702-T1466 WeakPolarHBondContact O-CB 3.41Å; R702-T1466 WeakPolarHBondContact O-CG2 3.25Å; R702-T1466 PolarHBondContact O-OG1 3.36Å; R702-E1469 WeakPolarHBondContact CG-OE1 3.43Å; R702-E1469 IonicContact CZ-OE1 2.65Å; R702-E1469 IonicContact CZ-OE2 2.67Å; R702-E1469 IonicContact NE-OE1 3.04Å; R702-E1469 PolarHBondContact NE-OE1 3.05Å; R702-E1469 IonicContact NE-OE2 3.58Å; R702-E1469 IonicContact NH2-OE1 2.64Å; R702-E1469 PolarHBondContact NH2-OE1 3.31Å; R702-E1469 IonicContact NH2-OE2 3.33Å; R702-E1469 PolarHBondContact NH2-OE2 3.24Å
703L79.6Confident81.5Confident29.3333 Ų29.333332.1 Ų32.115%0.15416%0.161CC..THydrogen-bonded Turntrans-91.10.2177.8-79.4168.1000114.2F660 T663 Y667 V699 Y701 L705F660-L703 HydrophobicContact CD1-CD1 4.22Å; F660-L703 HydrophobicContact CD1-CD2 4.16Å; F660-L703 HydrophobicContact CD1-CG 4.08Å; F660-L703 HydrophobicContact CD2-CD1 3.93Å; F660-L703 HydrophobicContact CD2-CG 4.23Å; F660-L703 HydrophobicContact CE1-CD1 4.16Å; F660-L703 HydrophobicContact CE1-CD2 4.08Å; F660-L703 HydrophobicContact CE1-CG 4.37Å; F660-L703 HydrophobicContact CE2-CD1 3.91Å; F660-L703 HydrophobicContact CE2-CD2 3.96Å; F660-L703 HydrophobicContact CE2-CG 3.72Å; F660-L703 HydrophobicContact CG-CD1 4.17Å; F660-L703 HydrophobicContact CZ-CD1 4.12Å; F660-L703 HydrophobicContact CZ-CD2 3.58Å; F660-L703 HydrophobicContact CZ-CG 3.89Å; T663-L703 HydrophobicContact CG2-CB 4.25Å; T663-L703 HydrophobicContact CG2-CD1 3.53Å; Y667-L703 WeakPolarHBondContact CE2-O 3.47Å; V699-L703 HydrophobicContact CG1-CD1 4Å; V699-L703 PolarHBondContact O-N 3.17Å; Y701-L703 VanDerWaalsContact C-N 3.28Å; Y701-L703 PolarHBondContact O-N 3.04Å; L703-L705 VanDerWaalsContact C-N 3.31Å; L703-L705 HydrophobicContact CB-CD1 3.62Å; L703-L705 PolarHBondContact O-N 3.39Å
704G77.6Confident81.2Confident8.66667 Ų8.6666733.1 Ų33.19%0.08916%0.163CC..THydrogen-bonded Turntrans71.825.3177.900000114.4F700 Y701 R702 I706 P707 L708 Y1468F700-G704 PolarHBondContact O-N 3.16Å; Y701-G704 PolarHBondContact O-N 3.21Å; Y701-G704 VanDerWaalsContact O-N 3.1Å; R702-G704 VanDerWaalsContact C-N 3.33Å; G704-I706 VanDerWaalsContact C-N 3.32Å; G704-I706 PolarHBondContact O-N 3.48Å; G704-P707 VanDerWaalsContact O-CD 3.31Å; G704-P707 WeakPolarHBondContact O-CD 3.42Å; G704-P707 VanDerWaalsContact O-CG 3.23Å; G704-P707 WeakPolarHBondContact O-CG 3.38Å; G704-L708 PolarHBondContact O-N 3.23Å; G704-Y1468 VanDerWaalsContact CA-CD1 3.48Å
705L83.1Confident81.2Confident0 Ų031.4 Ų31.40%016%0.156CC..Hα-helixtrans-68.3-32.9178.3-134.877.3000111.9T663 I666 Y667 L670 F700 L703 L708 I709T663-L705 HydrophobicContact CG2-CD1 3.51Å; T663-L705 HydrophobicContact CG2-CD2 4.22Å; T663-L705 HydrophobicContact CG2-CG 4.41Å; I666-L705 HydrophobicContact CB-CD2 4.31Å; I666-L705 HydrophobicContact CG2-CD1 4.15Å; I666-L705 HydrophobicContact CG2-CD2 4.07Å; Y667-L705 HydrophobicContact CD2-CD1 3.97Å; Y667-L705 HydrophobicContact CD2-CG 4.16Å; L670-L705 HydrophobicContact CD1-CD1 3.76Å; L670-L705 HydrophobicContact CD1-CD2 4.44Å; L670-L705 HydrophobicContact CD1-CG 4.36Å; F700-L705 HydrophobicContact CB-CB 4.14Å; F700-L705 HydrophobicContact CB-CD2 4.25Å; F700-L705 HydrophobicContact CD1-CD2 3.84Å; F700-L705 HydrophobicContact CD2-CD2 3.74Å; F700-L705 HydrophobicContact CE1-CD2 4.02Å; F700-L705 HydrophobicContact CE2-CD2 3.91Å; F700-L705 HydrophobicContact CG-CB 4.35Å; F700-L705 HydrophobicContact CG-CD2 3.87Å; F700-L705 HydrophobicContact CZ-CD2 3.96Å; F700-L705 WeakPolarHBondContact O-CB 3.44Å; F700-L705 PolarHBondContact O-N 3.06Å; L703-L705 VanDerWaalsContact C-N 3.31Å; L703-L705 HydrophobicContact CB-CD1 3.62Å; L703-L705 PolarHBondContact O-N 3.39Å; L705-L708 HydrophobicContact CD1-CD2 4.37Å; L705-L708 WeakPolarHBondContact O-CB 3.37Å; L705-L708 PolarHBondContact O-N 3.18Å; L705-I709 HydrophobicContact CB-CD1 4.46Å; L705-I709 HydrophobicContact CD2-CD1 4.2Å; L705-I709 HydrophobicContact CG-CD1 4.02Å; L705-I709 HydrophobicContact CG-CG1 4.49Å; L705-I709 WeakPolarHBondContact O-CB 3.24Å; L705-I709 WeakPolarHBondContact O-CD1 3.44Å; L705-I709 VanDerWaalsContact O-CG1 3.27Å; L705-I709 WeakPolarHBondContact O-CG1 3.37Å; L705-I709 PolarHBondContact O-N 3.25Å
706I80.8Confident80.9Confident36.3333 Ų36.333331.2 Ų31.219%0.18616%0.155CC..Hα-helixtrans-61.3-53.4-179.9-52.4179.4000112F700 Y701 G704 L708 I709 Q710 L1379 L1382F700-I706 HydrophobicContact CB-CG1 4.27Å; Y701-I706 HydrophobicContact CD2-CD1 4.25Å; G704-I706 VanDerWaalsContact C-N 3.32Å; G704-I706 PolarHBondContact O-N 3.48Å; I706-L708 VanDerWaalsContact C-N 3.3Å; I706-L708 PolarHBondContact O-N 3.04Å; I706-I709 PolarHBondContact O-N 3.3Å; I706-Q710 PolarHBondContact O-N 3.21Å; I706-Q710 VanDerWaalsContact O-N 3.08Å; I706-L1379 HydrophobicContact CG2-CD1 4.27Å; I706-L1382 HydrophobicContact CB-CD1 4.48Å; I706-L1382 HydrophobicContact CD1-CB 4.49Å; I706-L1382 HydrophobicContact CD1-CD1 4.11Å; I706-L1382 HydrophobicContact CD1-CD2 4.46Å; I706-L1382 HydrophobicContact CG1-CB 4.43Å; I706-L1382 HydrophobicContact CG1-CD1 3.92Å; I706-L1382 HydrophobicContact CG2-CD1 4.29Å
707P78.9Confident80.6Confident46.6667 Ų46.666735 Ų3530%0.30317%0.173SC..Hα-helixtrans-61.4-34.4173.19.3-15.4000113.3G704 Q710 I711 Y1468G704-P707 VanDerWaalsContact O-CD 3.31Å; G704-P707 WeakPolarHBondContact O-CD 3.42Å; G704-P707 VanDerWaalsContact O-CG 3.23Å; G704-P707 WeakPolarHBondContact O-CG 3.38Å; P707-Q710 WeakPolarHBondContact O-CB 3.47Å; P707-Q710 PolarHBondContact O-N 2.98Å; P707-I711 WeakPolarHBondContact O-CB 3.4Å; P707-I711 WeakPolarHBondContact O-CD1 3.49Å; P707-I711 VanDerWaalsContact O-CG1 3.28Å; P707-I711 WeakPolarHBondContact O-CG1 3.4Å; P707-I711 PolarHBondContact O-N 3.31Å; P707-Y1468 HydrophobicContact CG-CE2 3.98Å; P707-Y1468 VanDerWaalsContact CG-OH 3.31Å; P707-Y1468 WeakPolarHBondContact CG-OH 3.33Å
708L80.7Confident80.1Confident12.6667 Ų12.666738.6 Ų38.67%0.06619%0.188CC..Hα-helixtrans-63.8-43.5176-179.462.7000111.5Y667 L670 I671 G704 L705 I706 Q710 I711 I712Y667-L708 HydrophobicContact CD2-CD2 3.75Å; Y667-L708 HydrophobicContact CE2-CB 4.33Å; Y667-L708 HydrophobicContact CE2-CD2 3.76Å; Y667-L708 HydrophobicContact CG-CD2 4.36Å; L670-L708 HydrophobicContact CB-CD2 3.77Å; L670-L708 HydrophobicContact CB-CG 4.46Å; L670-L708 HydrophobicContact CD1-CD2 4.06Å; I671-L708 HydrophobicContact CD1-CD1 4.38Å; I671-L708 HydrophobicContact CD1-CD2 4.19Å; I671-L708 HydrophobicContact CG1-CD1 4.08Å; I671-L708 HydrophobicContact CG1-CD2 4.01Å; G704-L708 PolarHBondContact O-N 3.23Å; L705-L708 HydrophobicContact CD1-CD2 4.37Å; L705-L708 WeakPolarHBondContact O-CB 3.37Å; L705-L708 PolarHBondContact O-N 3.18Å; I706-L708 VanDerWaalsContact C-N 3.3Å; I706-L708 PolarHBondContact O-N 3.04Å; L708-Q710 VanDerWaalsContact C-N 3.32Å; L708-Q710 PolarHBondContact O-N 3.23Å; L708-I711 PolarHBondContact O-N 3.24Å; L708-I712 HydrophobicContact CD1-CD1 4.43Å; L708-I712 HydrophobicContact CG-CD1 4.13Å; L708-I712 VanDerWaalsContact O-CG1 3.29Å; L708-I712 WeakPolarHBondContact O-CG1 3.31Å; L708-I712 PolarHBondContact O-N 2.95Å
709I83.1Confident79.8Confident1 Ų137.3 Ų37.31%0.00518%0.181CC..Hα-helixtrans-62.2-41.5175.1-68.9160.9000110.6L670 L682 L705 I706 I711 I712 I713 A1375 L1378 L1382L670-I709 HydrophobicContact CD1-CG1 4.46Å; L682-I709 HydrophobicContact CD2-CG1 4.34Å; L705-I709 HydrophobicContact CB-CD1 4.46Å; L705-I709 HydrophobicContact CD2-CD1 4.2Å; L705-I709 HydrophobicContact CG-CD1 4.02Å; L705-I709 HydrophobicContact CG-CG1 4.49Å; L705-I709 WeakPolarHBondContact O-CB 3.24Å; L705-I709 WeakPolarHBondContact O-CD1 3.44Å; L705-I709 VanDerWaalsContact O-CG1 3.27Å; L705-I709 WeakPolarHBondContact O-CG1 3.37Å; L705-I709 PolarHBondContact O-N 3.25Å; I706-I709 PolarHBondContact O-N 3.3Å; I709-I711 VanDerWaalsContact C-N 3.33Å; I709-I711 PolarHBondContact O-N 2.77Å; I709-I712 PolarHBondContact O-N 3.01Å; I709-I713 HydrophobicContact CG2-CD1 4.01Å; I709-I713 HydrophobicContact CG2-CG1 4.49Å; I709-I713 VanDerWaalsContact O-CG1 3.29Å; I709-I713 WeakPolarHBondContact O-CG1 3.4Å; I709-I713 PolarHBondContact O-N 3.18Å; I709-A1375 HydrophobicContact CG2-CB 4.19Å; I709-L1378 HydrophobicContact CD1-CD1 3.96Å; I709-L1378 HydrophobicContact CD1-CD2 3.68Å; I709-L1378 HydrophobicContact CD1-CG 4.26Å; I709-L1378 HydrophobicContact CG1-CD1 4.39Å; I709-L1382 HydrophobicContact CD1-CD1 4.45Å
710Q81.4Confident79.5Confident68.6667 Ų68.666737.7 Ų37.732%0.32118%0.183SC..Hα-helixtrans-60.8-44.5174.2-175.562.956.200112.1I706 P707 L708 I712 I713 D714 L1379I706-Q710 PolarHBondContact O-N 3.21Å; I706-Q710 VanDerWaalsContact O-N 3.08Å; P707-Q710 WeakPolarHBondContact O-CB 3.47Å; P707-Q710 PolarHBondContact O-N 2.98Å; L708-Q710 VanDerWaalsContact C-N 3.32Å; L708-Q710 PolarHBondContact O-N 3.23Å; Q710-I712 VanDerWaalsContact C-N 3.27Å; Q710-I712 PolarHBondContact O-N 3.28Å; Q710-I713 WeakPolarHBondContact O-CB 3.36Å; Q710-I713 PolarHBondContact O-N 3.31Å; Q710-I713 VanDerWaalsContact O-N 3.14Å; Q710-D714 PolarHBondContact NE2-OD1 3.25Å; Q710-D714 VanDerWaalsContact O-CG 3.25Å; Q710-D714 PolarHBondContact O-N 3.23Å; Q710-L1379 VanDerWaalsContact OE1-CD2 3.31Å
711I79.4Confident78.7Confident59.6667 Ų59.666741.9 Ų41.931%0.30621%0.205SC..Hα-helixtrans-62-39.4176.7-67.9163.4000110.8P707 L708 I709 D714 I715 L1547 P1548P707-I711 WeakPolarHBondContact O-CB 3.4Å; P707-I711 WeakPolarHBondContact O-CD1 3.49Å; P707-I711 VanDerWaalsContact O-CG1 3.28Å; P707-I711 WeakPolarHBondContact O-CG1 3.4Å; P707-I711 PolarHBondContact O-N 3.31Å; L708-I711 PolarHBondContact O-N 3.24Å; I709-I711 VanDerWaalsContact C-N 3.33Å; I709-I711 PolarHBondContact O-N 2.77Å; I711-D714 PolarHBondContact O-N 3.16Å; I711-I715 HydrophobicContact CG2-CD1 3.82Å; I711-I715 HydrophobicContact CG2-CG1 4.42Å; I711-I715 WeakPolarHBondContact O-CB 3.46Å; I711-I715 WeakPolarHBondContact O-CD1 3.32Å; I711-I715 VanDerWaalsContact O-CG1 3.25Å; I711-I715 WeakPolarHBondContact O-CG1 3.38Å; I711-I715 PolarHBondContact O-N 3.13Å; I711-L1547 HydrophobicContact CD1-CD2 3.97Å; I711-P1548 HydrophobicContact CG2-CG 3.33Å
712I80.7Confident77.7Confident6.33333 Ų6.3333340.6 Ų40.63%0.03220%0.204CC..Hα-helixtrans-64.5-42.1175.1-70.1166.8000111.1L670 L708 I709 Q710 D714 I715 L716L670-I712 HydrophobicContact CB-CD1 4.07Å; L670-I712 HydrophobicContact CD1-CD1 4.35Å; L670-I712 HydrophobicContact CD2-CD1 4.07Å; L670-I712 HydrophobicContact CG-CD1 4.36Å; L708-I712 HydrophobicContact CD1-CD1 4.43Å; L708-I712 HydrophobicContact CG-CD1 4.13Å; L708-I712 VanDerWaalsContact O-CG1 3.29Å; L708-I712 WeakPolarHBondContact O-CG1 3.31Å; L708-I712 PolarHBondContact O-N 2.95Å; I709-I712 PolarHBondContact O-N 3.01Å; Q710-I712 VanDerWaalsContact C-N 3.27Å; Q710-I712 PolarHBondContact O-N 3.28Å; I712-D714 VanDerWaalsContact C-N 3.33Å; I712-D714 PolarHBondContact O-N 3.17Å; I712-I715 PolarHBondContact O-N 3.14Å; I712-L716 HydrophobicContact CG2-CD1 3.68Å; I712-L716 HydrophobicContact CG2-CG 4.17Å; I712-L716 WeakPolarHBondContact O-CB 3.37Å; I712-L716 VanDerWaalsContact O-CG 3.24Å; I712-L716 WeakPolarHBondContact O-CG 3.32Å; I712-L716 PolarHBondContact O-N 3Å
713I82.2Confident76.8Confident4 Ų439.4 Ų39.42%0.02120%0.201CC..Hα-helixtrans-58.5-48.2174.3-70.9164.2000110.6I709 Q710 I715 L716 H717 L1372 A1375 N1376 L1379I709-I713 HydrophobicContact CG2-CD1 4.01Å; I709-I713 HydrophobicContact CG2-CG1 4.49Å; I709-I713 VanDerWaalsContact O-CG1 3.29Å; I709-I713 WeakPolarHBondContact O-CG1 3.4Å; I709-I713 PolarHBondContact O-N 3.18Å; Q710-I713 WeakPolarHBondContact O-CB 3.36Å; Q710-I713 PolarHBondContact O-N 3.31Å; Q710-I713 VanDerWaalsContact O-N 3.14Å; I713-I715 VanDerWaalsContact C-N 3.32Å; I713-I715 PolarHBondContact O-N 3.25Å; I713-L716 PolarHBondContact O-N 3.11Å; I713-H717 WeakPolarHBondContact O-CB 3.41Å; I713-H717 PolarHBondContact O-CD2 2.92Å; I713-H717 VanDerWaalsContact O-CD2 3.27Å; I713-H717 PolarHBondContact O-N 2.88Å; I713-L1372 HydrophobicContact CB-CD1 4.47Å; I713-L1372 HydrophobicContact CG2-CD1 3.98Å; I713-A1375 HydrophobicContact CD1-CB 3.99Å; I713-A1375 HydrophobicContact CG1-CB 3.5Å; I713-A1375 VanDerWaalsContact CG1-CB 3.49Å; I713-N1376 WeakPolarHBondContact CD1-OD1 3.27Å; I713-L1379 HydrophobicContact CD1-CB 4.12Å; I713-L1379 HydrophobicContact CD1-CD2 3.86Å; I713-L1379 HydrophobicContact CD1-CG 4.46Å
714D78.6Confident75.5Confident74.6667 Ų74.666743.2 Ų43.240%0.39922%0.222SC..Hα-helixtrans-61.1-43.1179.5-67.5-1.7000111.5Q710 I711 I712 H717 H718 R1550Q710-D714 PolarHBondContact NE2-OD1 3.25Å; Q710-D714 VanDerWaalsContact O-CG 3.25Å; Q710-D714 PolarHBondContact O-N 3.23Å; I711-D714 PolarHBondContact O-N 3.16Å; I712-D714 VanDerWaalsContact C-N 3.33Å; I712-D714 PolarHBondContact O-N 3.17Å; D714-H717 PolarHBondContact O-N 3.21Å; D714-H718 WeakPolarHBondContact O-CB 3.24Å; D714-H718 PolarHBondContact O-CD2 3.02Å; D714-H718 VanDerWaalsContact O-CD2 3.26Å; D714-H718 PolarHBondContact O-N 3.03Å; D714-H718 VanDerWaalsContact O-N 3.11Å; D714-R1550 IonicContact OD2-CZ 2.62Å; D714-R1550 IonicContact OD2-NH2 3.9Å; D714-R1550 PolarHBondContact OD2-NH2 3.03Å
715I78.8Confident74.1Confident40.3333 Ų40.333349.9 Ų49.921%0.20725%0.248CC..Hα-helixtrans-65.9-46176.9-68166000111.3I711 I712 I713 H717 H718 L719 P1548I711-I715 HydrophobicContact CG2-CD1 3.82Å; I711-I715 HydrophobicContact CG2-CG1 4.42Å; I711-I715 WeakPolarHBondContact O-CB 3.46Å; I711-I715 WeakPolarHBondContact O-CD1 3.32Å; I711-I715 VanDerWaalsContact O-CG1 3.25Å; I711-I715 WeakPolarHBondContact O-CG1 3.38Å; I711-I715 PolarHBondContact O-N 3.13Å; I712-I715 PolarHBondContact O-N 3.14Å; I713-I715 VanDerWaalsContact C-N 3.32Å; I713-I715 PolarHBondContact O-N 3.25Å; I715-H717 VanDerWaalsContact C-N 3.35Å; I715-H717 PolarHBondContact O-N 3.29Å; I715-H718 PolarHBondContact O-N 3.36Å; I715-H718 VanDerWaalsContact O-N 3.14Å; I715-L719 HydrophobicContact CG2-CD1 3.88Å; I715-L719 HydrophobicContact CG2-CG 4.34Å; I715-L719 WeakPolarHBondContact O-CG 3.3Å; I715-L719 PolarHBondContact O-N 3.25Å; I715-P1548 HydrophobicContact CD1-CG 4.18Å
716L78.9Confident72Confident2.33333 Ų2.3333354.2 Ų54.21%0.01228%0.279CS..Hα-helixtrans-65.3-38.4179.9-71.3173.5000111.9I712 I713 H718 L719 L720 R1368 M1371 L1372I712-L716 HydrophobicContact CG2-CD1 3.68Å; I712-L716 HydrophobicContact CG2-CG 4.17Å; I712-L716 WeakPolarHBondContact O-CB 3.37Å; I712-L716 VanDerWaalsContact O-CG 3.24Å; I712-L716 WeakPolarHBondContact O-CG 3.32Å; I712-L716 PolarHBondContact O-N 3Å; I713-L716 PolarHBondContact O-N 3.11Å; L716-H718 VanDerWaalsContact C-N 3.34Å; L716-H718 PolarHBondContact O-N 3.22Å; L716-L719 PolarHBondContact O-N 3.41Å; L716-L720 VanDerWaalsContact O-CB 3.31Å; L716-L720 WeakPolarHBondContact O-CB 3.34Å; L716-L720 WeakPolarHBondContact O-CD1 3.42Å; L716-L720 VanDerWaalsContact O-CG 3.3Å; L716-L720 WeakPolarHBondContact O-CG 3.36Å; L716-L720 PolarHBondContact O-N 3.26Å; L716-R1368 HydrophobicContact CD2-CB 4.34Å; L716-R1368 HydrophobicContact CD2-CG 4.19Å; L716-M1371 HydrophobicContact CD1-CB 3.72Å; L716-M1371 HydrophobicContact CD2-CE 3.71Å; L716-L1372 HydrophobicContact CB-CB 4.45Å; L716-L1372 HydrophobicContact CB-CD1 3.99Å; L716-L1372 HydrophobicContact CD1-CB 4.4Å
717H80.2Confident69.8Low79.6667 Ų79.666755.5 Ų55.537%0.36930%0.3SS..Hα-helixtrans-59.3-46.9170.1-85.3-60.1000111.4I713 D714 I715 L719 L720 I721I713-H717 WeakPolarHBondContact O-CB 3.41Å; I713-H717 PolarHBondContact O-CD2 2.92Å; I713-H717 VanDerWaalsContact O-CD2 3.27Å; I713-H717 PolarHBondContact O-N 2.88Å; D714-H717 PolarHBondContact O-N 3.21Å; I715-H717 VanDerWaalsContact C-N 3.35Å; I715-H717 PolarHBondContact O-N 3.29Å; H717-L719 PolarHBondContact O-N 3.05Å; H717-L720 PolarHBondContact O-N 3.27Å; H717-I721 VanDerWaalsContact O-CB 3.29Å; H717-I721 WeakPolarHBondContact O-CB 3.4Å; H717-I721 WeakPolarHBondContact O-CD1 3.4Å; H717-I721 WeakPolarHBondContact O-CG1 3.4Å; H717-I721 PolarHBondContact O-N 2.75Å
718H72.7Confident67.5Low99.3333 Ų99.333358.8 Ų58.846%0.4632%0.319SS..Hα-helixtrans-62.2-44179.1-143-77.9000112.5D714 I715 L716 I721 M722 F1552D714-H718 WeakPolarHBondContact O-CB 3.24Å; D714-H718 PolarHBondContact O-CD2 3.02Å; D714-H718 VanDerWaalsContact O-CD2 3.26Å; D714-H718 PolarHBondContact O-N 3.03Å; D714-H718 VanDerWaalsContact O-N 3.11Å; I715-H718 PolarHBondContact O-N 3.36Å; I715-H718 VanDerWaalsContact O-N 3.14Å; L716-H718 VanDerWaalsContact C-N 3.34Å; L716-H718 PolarHBondContact O-N 3.22Å; H718-I721 PolarHBondContact O-N 3.12Å; H718-M722 PolarHBondContact CE1-SD 2.93Å; H718-M722 PolarHBondContact ND1-SD 2.81Å; H718-M722 VanDerWaalsContact ND1-SD 3.42Å; H718-M722 WeakPolarHBondContact O-CG 3.36Å; H718-M722 PolarHBondContact O-N 3.26Å; H718-F1552 AromaticContact NE2-CE1 3.99Å
719L73.6Confident64.9Low28 Ų2863.8 Ų63.815%0.14735%0.351CS..Hα-helixtrans-61.7-50.5177-72170.3000111.8I715 L716 H717 I721 M722 E723I715-L719 HydrophobicContact CG2-CD1 3.88Å; I715-L719 HydrophobicContact CG2-CG 4.34Å; I715-L719 WeakPolarHBondContact O-CG 3.3Å; I715-L719 PolarHBondContact O-N 3.25Å; L716-L719 PolarHBondContact O-N 3.41Å; H717-L719 PolarHBondContact O-N 3.05Å; L719-I721 VanDerWaalsContact C-N 3.3Å; L719-I721 PolarHBondContact O-N 2.95Å; L719-M722 WeakPolarHBondContact O-CA 3.36Å; L719-M722 VanDerWaalsContact O-CB 3.32Å; L719-M722 WeakPolarHBondContact O-CB 3.39Å; L719-M722 PolarHBondContact O-N 3.3Å; L719-E723 WeakPolarHBondContact O-CG 3.43Å; L719-E723 PolarHBondContact O-N 3.1Å; L719-E723 VanDerWaalsContact O-N 3.16Å
720L76Confident62.4Low15 Ų1570.1 Ų70.18%0.07939%0.389CS..Hα-helixtrans-64.7-30.9179.4-70.6167.9000112.4L716 H717 M722 N724 I1365 R1368 K1369 L1372L716-L720 VanDerWaalsContact O-CB 3.31Å; L716-L720 WeakPolarHBondContact O-CB 3.34Å; L716-L720 WeakPolarHBondContact O-CD1 3.42Å; L716-L720 VanDerWaalsContact O-CG 3.3Å; L716-L720 WeakPolarHBondContact O-CG 3.36Å; L716-L720 PolarHBondContact O-N 3.26Å; H717-L720 PolarHBondContact O-N 3.27Å; L720-M722 PolarHBondContact O-N 3.47Å; L720-N724 WeakPolarHBondContact O-CB 3.3Å; L720-N724 VanDerWaalsContact O-CG 3.23Å; L720-N724 PolarHBondContact O-N 2.94Å; L720-N724 PolarHBondContact O-ND2 3.09Å; L720-I1365 HydrophobicContact CD2-CG2 4.4Å; L720-R1368 HydrophobicContact CD1-CB 4.48Å; L720-R1368 HydrophobicContact CD2-CB 3.86Å; L720-R1368 HydrophobicContact CG-CB 4.27Å; L720-K1369 HydrophobicContact CD1-CG 4.29Å; L720-K1369 HydrophobicContact CD2-CG 3.84Å; L720-L1372 HydrophobicContact CD1-CB 4.22Å; L720-L1372 HydrophobicContact CD1-CD2 3.78Å; L720-L1372 HydrophobicContact CD1-CG 4.36Å
721I70.4Confident59.8Low88.6667 Ų88.666773 Ų7346%0.45541%0.411SS..Hα-helixtrans-70.4-32.3173.7-71.5165.9000111.7H717 H718 L719 K725H717-I721 VanDerWaalsContact O-CB 3.29Å; H717-I721 WeakPolarHBondContact O-CB 3.4Å; H717-I721 WeakPolarHBondContact O-CD1 3.4Å; H717-I721 WeakPolarHBondContact O-CG1 3.4Å; H717-I721 PolarHBondContact O-N 2.75Å; H718-I721 PolarHBondContact O-N 3.12Å; L719-I721 VanDerWaalsContact C-N 3.3Å; L719-I721 PolarHBondContact O-N 2.95Å; I721-K725 HydrophobicContact CG2-CD 4.12Å; I721-K725 WeakPolarHBondContact O-CD 3.22Å; I721-K725 WeakPolarHBondContact O-CE 3.2Å; I721-K725 VanDerWaalsContact O-CG 3.28Å; I721-K725 WeakPolarHBondContact O-CG 3.39Å; I721-K725 PolarHBondContact O-N 3.04Å; I721-K725 PolarHBondContact O-NZ 2.92Å
722M57.9Low57.3Low90.6667 Ų90.666775.9 Ų75.945%0.44743%0.432SS..Hα-helixtrans-72.7-46.2176.3-69.3-150.267.300111.7H718 L719 L720 N724 K725 S726H718-M722 PolarHBondContact CE1-SD 2.93Å; H718-M722 PolarHBondContact ND1-SD 2.81Å; H718-M722 VanDerWaalsContact ND1-SD 3.42Å; H718-M722 WeakPolarHBondContact O-CG 3.36Å; H718-M722 PolarHBondContact O-N 3.26Å; L719-M722 WeakPolarHBondContact O-CA 3.36Å; L719-M722 VanDerWaalsContact O-CB 3.32Å; L719-M722 WeakPolarHBondContact O-CB 3.39Å; L719-M722 PolarHBondContact O-N 3.3Å; L720-M722 PolarHBondContact O-N 3.47Å; M722-N724 VanDerWaalsContact C-N 3.32Å; M722-N724 PolarHBondContact O-N 3.31Å; M722-K725 PolarHBondContact O-N 2.87Å; M722-K725 VanDerWaalsContact O-N 3.12Å; M722-S726 PolarHBondContact O-N 3.01Å; M722-S726 VanDerWaalsContact O-N 3.16Å; M722-S726 PolarHBondContact O-OG 2.63Å
723E57.3Low54.8Low36.3333 Ų36.333383.3 Ų83.317%0.1747%0.47CS..Hα-helixtrans-67.1-36.6-176.4-67.5177.3139.400112.9L719 K725 S726 I1365 R1368L719-E723 WeakPolarHBondContact O-CG 3.43Å; L719-E723 PolarHBondContact O-N 3.1Å; L719-E723 VanDerWaalsContact O-N 3.16Å; E723-K725 VanDerWaalsContact C-N 3.28Å; E723-K725 PolarHBondContact O-N 3.03Å; E723-S726 WeakPolarHBondContact CA-OG 3.49Å; E723-S726 PolarHBondContact O-N 3.15Å; E723-S726 PolarHBondContact O-OG 3.26Å; E723-S726 VanDerWaalsContact O-OG 3.14Å; E723-I1365 HydrophobicContact CB-CD1 4.1Å; E723-I1365 HydrophobicContact CB-CG1 4.16Å; E723-R1368 IonicContact OE1-CZ 3.86Å; E723-R1368 IonicContact OE1-NH1 3.62Å; E723-R1368 PolarHBondContact OE1-NH1 3.25Å; E723-R1368 WeakPolarHBondContact OE2-CD 3.16Å; E723-R1368 IonicContact OE2-CZ 3.61Å; E723-R1368 IonicContact OE2-NH1 3.45Å; E723-R1368 PolarHBondContact OE2-NH1 3.22Å
724N53.2Low52.1Low109 Ų10988.6 Ų88.658%0.58350%0.503SS*.Hα-helixtrans-69.4-8.2175.3-70.6-51000113.4L720 M722 K1369L720-N724 WeakPolarHBondContact O-CB 3.3Å; L720-N724 VanDerWaalsContact O-CG 3.23Å; L720-N724 PolarHBondContact O-N 2.94Å; L720-N724 PolarHBondContact O-ND2 3.09Å; M722-N724 VanDerWaalsContact C-N 3.32Å; M722-N724 PolarHBondContact O-N 3.31Å; N724-K1369 WeakPolarHBondContact OD1-CE 3.45Å; N724-K1369 PolarHBondContact OD1-NZ 2.99Å
725K47.7Very low49.7Very low148 Ų14891.4 Ų91.464%0.64352%0.523SS*.Hα-helixtrans-100.2-23.7179.3-72.8175.3-178.5166.60113.3I721 M722 E723 G727 V728I721-K725 HydrophobicContact CG2-CD 4.12Å; I721-K725 WeakPolarHBondContact O-CD 3.22Å; I721-K725 WeakPolarHBondContact O-CE 3.2Å; I721-K725 VanDerWaalsContact O-CG 3.28Å; I721-K725 WeakPolarHBondContact O-CG 3.39Å; I721-K725 PolarHBondContact O-N 3.04Å; I721-K725 PolarHBondContact O-NZ 2.92Å; M722-K725 PolarHBondContact O-N 2.87Å; M722-K725 VanDerWaalsContact O-N 3.12Å; E723-K725 VanDerWaalsContact C-N 3.28Å; E723-K725 PolarHBondContact O-N 3.03Å; K725-G727 VanDerWaalsContact C-N 3.26Å; K725-G727 PolarHBondContact O-N 3.17Å; K725-V728 PolarHBondContact O-N 3.44Å
726S40Very low47.2Very low91.6667 Ų91.666794.3 Ų94.364%0.64155%0.547SS*.Hα-helixtrans-83.2-9.3-179.348.60000114.3M722 E723 V728M722-S726 PolarHBondContact O-N 3.01Å; M722-S726 VanDerWaalsContact O-N 3.16Å; M722-S726 PolarHBondContact O-OG 2.63Å; E723-S726 WeakPolarHBondContact CA-OG 3.49Å; E723-S726 PolarHBondContact O-N 3.15Å; E723-S726 PolarHBondContact O-OG 3.26Å; E723-S726 VanDerWaalsContact O-OG 3.14Å; S726-V728 VanDerWaalsContact C-N 3.29Å; S726-V728 PolarHBondContact O-N 3.29Å; S726-V728 VanDerWaalsContact O-N 3.17Å
727G33.2Very low44.8Very low62 Ų62100.3 Ų100.364%0.63958%0.584SS**THydrogen-bonded Turntrans-97.619.8-17900000116.6K725 T729K725-G727 VanDerWaalsContact C-N 3.26Å; K725-G727 PolarHBondContact O-N 3.17Å; G727-T729 PolarHBondContact O-N 3.45Å
728V31.5Very low42.2Very low116.333 Ų116.333102.4 Ų102.471%0.70560%0.602SS**  trans-111.158.6175.2-173.70000111.6K725 S726 S1561K725-V728 PolarHBondContact O-N 3.44Å; S726-V728 VanDerWaalsContact C-N 3.29Å; S726-V728 PolarHBondContact O-N 3.29Å; S726-V728 VanDerWaalsContact O-N 3.17Å; V728-S1561 VanDerWaalsContact O-O 3.09Å
729T26.5Very low40Very low118.333 Ų118.333104.8 Ų104.873%0.72662%0.619SS**  trans-155.667.5162.950.60000111.7G727 S1561G727-T729 PolarHBondContact O-N 3.45Å; T729-S1561 WeakPolarHBondContact CG2-O 3.49Å
730V29.8Very low37.8Very low132.333 Ų132.333110.1 Ų110.180%0.80265%0.652SS**  trans-120.6104.5158.6-1790000107.9T732V730-T732 PolarHBondContact O-N 3.33Å; V730-T732 PolarHBondContact O-OG1 3.06Å
731T27.3Very low35.4Very low129.333 Ų129.333112.5 Ų112.579%0.79368%0.681SS**  trans-38.6109.2177.2-28.40000113.9I733T731-I733 PolarHBondContact O-N 3.34Å; T731-I733 VanDerWaalsContact O-N 3.1Å
732T26.2Very low33.4Very low120.667 Ų120.667116.9 Ų116.974%0.7470%0.699SS**  trans-72116.9167.931.10000110.1V730 T734V730-T732 PolarHBondContact O-N 3.33Å; V730-T732 PolarHBondContact O-OG1 3.06Å; T732-T734 PolarHBondContact O-N 3.34Å
733I29Very low31.7Very low162 Ų162120 Ų12083%0.83171%0.713SS**  trans-89.7113.8158.4-61.4177.5000107.2T731 T735T731-I733 PolarHBondContact O-N 3.34Å; T731-I733 VanDerWaalsContact O-N 3.1Å; I733-T735 PolarHBondContact O-N 2.93Å
734T25.6Very low30.2Very low115 Ų115127.2 Ų127.271%0.70674%0.744SS**  trans-83.7124-178.248.40000111.5T732 S736T732-T734 PolarHBondContact O-N 3.34Å; T734-S736 PolarHBondContact O-N 3.33Å
735T28.4Very low28.7Very low134.667 Ų134.667126.5 Ų126.583%0.82675%0.748SS**  trans-122.2102.3150.136.90000108I733 T737I733-T735 PolarHBondContact O-N 2.93Å; T735-T737 PolarHBondContact O-N 2.83Å
736S25.2Very low27.7Very low100.667 Ų100.667126.1 Ų126.170%0.70476%0.757SS**  trans-52.1121.9149.6580000111.8T734T734-S736 PolarHBondContact O-N 3.33Å
737T28.1Very low27.1Very low129.667 Ų129.667126.3 Ų126.380%0.79676%0.759SS**  -132.2145.7121.235.10000114.5T735T735-T737 PolarHBondContact O-N 2.83Å
738T26.7Very low26.7Very low123.333 Ų123.333128.2 Ų128.276%0.75776%0.762SS**  trans-117.7126.3153.5470000114.8
739N26.4Very low26.6Very low149.667 Ų149.667127.4 Ų127.480%0.876%0.762SS**  trans46.2121.3150.7-66.5-11.6000115.5
740T27Very low26.8Very low138.667 Ų138.667128.3 Ų128.385%0.85176%0.762SS**  -161.8129.6117.221.20000109.5
741G25.4Very low26.8Very low66.3333 Ų66.3333130.1 Ų130.168%0.68476%0.762SS**  trans87.2129.7150.700000116.1
742Q28Very low27Very low179.667 Ų179.667130.6 Ų130.684%0.8476%0.759SS**  trans88.9123.1139.1-81.6168.1-16.300115.6
743Q24.2Very low27.1Very low157 Ų157132.7 Ų132.773%0.73476%0.761SS**  84.4139.890-92.3173.2-19.700113.1
744F24.2Very low27.2Very low187 Ų187128.1 Ų128.182%0.8275%0.753SS**  trans93.3127.4158.4-72-79.1000114
745S22.5Very low27.3Very low95 Ų95130.8 Ų130.866%0.66476%0.755SS**  cis173.613925.959.50000113.2
746V26.5Very low27.3Very low138.333 Ų138.333131.5 Ų131.584%0.83875%0.754SS**  trans102.3128.7155.1176.80000112.5
747S26.6Very low27.4Very low97 Ų97132.3 Ų132.368%0.67875%0.754SS**  cis-129.3147.630.944.60000115.9
748S25.1Very low27.2Very low102 Ų102131.4 Ų131.471%0.71375%0.752SS**  trans13.8150.3135.369.30000118.4D750S748-D750 VanDerWaalsContact CB-OD2 3.27Å; S748-D750 WeakPolarHBondContact CB-OD2 3.43Å
749S29.9Very low27Very low98.6667 Ų98.6667131.8 Ų131.869%0.6975%0.754SS**  -162.3141.250.825.30000113
750D30.3Very low26.9Very low136.333 Ų136.333129.1 Ų129.173%0.72975%0.753SS**  85.8142.1110.5-59.7-29.4000115.7S748S748-D750 VanDerWaalsContact CB-OD2 3.27Å; S748-D750 WeakPolarHBondContact CB-OD2 3.43Å
751E30.2Very low26.7Very low172 Ų172127.5 Ų127.580%0.80475%0.748SS**  90.5139.289.2-88.3-165-140.500113.2
752N31.3Very low26.8Very low138.333 Ų138.333130.5 Ų130.574%0.7475%0.752SS**  cis-155.9152.923.9-120.2-25.1000110.7G754N752-G754 PolarHBondContact O-N 3.48Å
753E28.2Very low26.6Very low165.333 Ų165.333127 Ų12777%0.77374%0.744SS**  trans-63.5152.2150.3-82.4-149.7119.600113.1K755E753-K755 WeakPolarHBondContact OE1-CD 3.19Å; E753-K755 WeakPolarHBondContact OE1-CE 3.44Å; E753-K755 IonicContact OE1-NZ 2.8Å; E753-K755 PolarHBondContact OE1-NZ 3.27Å; E753-K755 IonicContact OE2-NZ 2.68Å; E753-K755 PolarHBondContact OE2-NZ 3.12Å
754G30.7Very low26.8Very low65 Ų65128.7 Ų128.767%0.6775%0.748SS**  trans173.9108.3153.400000111.9N752 D756N752-G754 PolarHBondContact O-N 3.48Å; G754-D756 PolarHBondContact O-N 3.21Å
755K27.6Very low26.9Very low173 Ų173128.4 Ų128.475%0.75275%0.747SS**  35.6136.3101.7-69174.9178.1154.10112.4E753 V757E753-K755 WeakPolarHBondContact OE1-CD 3.19Å; E753-K755 WeakPolarHBondContact OE1-CE 3.44Å; E753-K755 IonicContact OE1-NZ 2.8Å; E753-K755 PolarHBondContact OE1-NZ 3.27Å; E753-K755 IonicContact OE2-NZ 2.68Å; E753-K755 PolarHBondContact OE2-NZ 3.12Å; K755-V757 HydrophobicContact CG-CG2 4.3Å
756D29.6Very low27Very low149 Ų149129.6 Ų129.680%0.79775%0.75SS**  cis-149149.738.8-84.8-33.4000110.9G754G754-D756 PolarHBondContact O-N 3.21Å
757V26.1Very low27.1Very low117.333 Ų117.333128.1 Ų128.171%0.71174%0.742SS**  cis-165.4155.1-2.6154.50000109.3K755K755-V757 HydrophobicContact CG-CG2 4.3Å
758C24.6Very low27.1Very low110.667 Ų110.667130.6 Ų130.675%0.74875%0.747SS**  trans119.9143.5139.7-63.10000115.6
759T23.2Very low27.3Very low130.667 Ų130.667131.5 Ų131.580%0.80275%0.749SS**  cis-155.8157.8-28.836.40000108.8
760A24.5Very low27.1Very low94 Ų94133.2 Ų133.278%0.77776%0.755SS**  trans94.4127.6163.400000115.2
761S22.9Very low27.1Very low105.333 Ų105.333131.7 Ų131.774%0.73776%0.755SS**  171.9138.966.264.70000113.3
762V26.7Very low27Very low128 Ų128129.8 Ų129.878%0.77676%0.755SS**  trans-176.4101.1150.3174.90000112.3
763T24.6Very low26.9Very low108 Ų108129 Ų12966%0.66376%0.756SS**  31.8142.4129.265.50000116.2
764K27.9Very low26.9Very low191.667 Ų191.667127.2 Ų127.283%0.83376%0.756SS**  176.7144.9125.3-95172.6-177.8171.50113
765K25.1Very low26.8Very low181.333 Ų181.333129.9 Ų129.979%0.78876%0.76SS**  trans-173.3145.6172.4-133.7-171.9-178.9-171.10110.8
766T26.5Very low26.9Very low119.667 Ų119.667129.4 Ų129.473%0.73476%0.762SS**  trans-169.1146.5153.3290000111.6
767T27.3Very low26.7Very low107.333 Ų107.333127.8 Ų127.866%0.65876%0.758SS**  trans-168.1139.3156.141.70000112.2
768D27.3Very low26.8Very low149.333 Ų149.333127.6 Ų127.680%0.79976%0.761SS**  trans-167.1156.6153-77.5-22.7000112.2
769T28.8Very low27Very low120.667 Ų120.667126.3 Ų126.374%0.7476%0.758SS**  trans-169.4140-174.314.50000111.7
770T26.8Very low27.2Very low134 Ų134126.1 Ų126.182%0.82276%0.757SS**  trans91.3125.4138.656.60000115
771S28.8Very low27.4Very low105 Ų105126.8 Ų126.873%0.73476%0.757SS**  trans-151.2141.8135.2-17.40000109.2
772T28Very low27.7Very low131.333 Ų131.333126.7 Ų126.781%0.80676%0.756SS**  cis-147.3137.44135.90000111.7
773T29.1Very low27.8Very low121.667 Ų121.667126.6 Ų126.675%0.74676%0.755SS**  trans167.1118.2148.8-57.80000115
774T28.9Very low28.2Very low128 Ų128127.5 Ų127.579%0.78576%0.761SS**  trans-122.1147.3134.743.90000114.3
775V28.7Very low28.4Very low122.667 Ų122.667124 Ų12474%0.74376%0.757SS**  -172.9142.6125148.40000114.2
776M28.9Very low28.5Very low162.667 Ų162.667119.5 Ų119.580%0.80175%0.754SS**  trans68.7118.9165.3-67.2-152.1-150.500120
777T26.9Very low28.5Very low114.667 Ų114.667118.6 Ų118.670%0.70375%0.753SS**  cis173.3156.934.238.50000114.1
778S28.4Very low28.6Very low113 Ų113120.9 Ų120.979%0.7976%0.76SS**  trans104.2132.3-156.269.50000113.5
779A27.7Very low28.5Very low83.3333 Ų83.3333119.6 Ų119.669%0.68976%0.757SS**  106123.283.300000113.8
780T28.3Very low28.7Very low126.667 Ų126.667118.9 Ų118.978%0.77776%0.755SS**  trans145.8129.4134.7350000111.1S782T780-S782 VanDerWaalsContact C-N 3.34Å
781S27.8Very low28.6Very low109.333 Ų109.333118.4 Ų118.477%0.76575%0.751SS**  55110.2102.678.40000114.3
782S29.2Very low28.7Very low102.333 Ų102.333120.7 Ų120.772%0.71675%0.754SS**  -178149.16969.20000111.3T780T780-S782 VanDerWaalsContact C-N 3.34Å
783T28.8Very low28.8Very low125 Ų125119.4 Ų119.477%0.76775%0.751SS**  -165.315279.5-2.40000112.3
784V32.5Very low29.2Very low128 Ų128119.2 Ų119.278%0.77675%0.751SS**  trans19.5147.3151.3-158.80000114.4
785P33Very low29.3Very low117 Ų117118.2 Ų118.276%0.7675%0.749SS**  trans-132.6164.8155.141.3-25.7000115.8
786A27.4Very low29.3Very low87.6667 Ų87.6667118.1 Ų118.173%0.72575%0.749SS**  trans84.9147.7152.400000116.1
787S25.1Very low29.3Very low101.667 Ų101.667116.5 Ų116.571%0.71175%0.749SS**  trans-81.8140.7139.953.30000112.8
788I30.6Very low29.3Very low155 Ų155116.4 Ų116.480%0.79575%0.748SS**  -151.3126.9119.3-79.2159.2000110P790I788-P790 WeakPolarHBondContact O-CD 3.48Å
789T25.9Very low29.3Very low122 Ų122116.6 Ų116.675%0.74875%0.745SS**  trans-32.1163166.252.70000115.3
790P31.7Very low29.3Very low105.667 Ų105.667118 Ų11869%0.68675%0.745SS**  trans-120.8163.6-174.236.5-22.6000112.7I788 I792I788-P790 WeakPolarHBondContact O-CD 3.48Å; P790-I792 PolarHBondContact O-N 3.34Å
791T24.7Very low29.3Very low123 Ų123117.6 Ų117.676%0.75574%0.742SS**  trans138.5136.3152.2-25.20000113.9
792I31Very low29.3Very low154.333 Ų154.333117.8 Ų117.879%0.79174%0.739SS**  trans93.5129.6150.9-65.7162.3000113.9P790P790-I792 PolarHBondContact O-N 3.34Å
793S31Very low29.2Very low104.667 Ų104.667119 Ų11973%0.73274%0.742SS**  cis-134.3-176.8-23.7-260000111.1
794P36.2Very low29.2Very low116.667 Ų116.667123.8 Ų123.876%0.75875%0.746SS**  trans-118.2163.5-141.241.2-30.9000117
795S31.3Very low28.9Very low107.333 Ų107.333122 Ų12275%0.75174%0.74SS**  trans-171.4118.6140.139.70000110.6
796T28.3Very low28.6Very low120.667 Ų120.667122.5 Ų122.574%0.7474%0.74SS**  46.2125.498.455.40000116.6
797T29.2Very low28.7Very low129 Ų129127.6 Ų127.679%0.79175%0.746SS**  cis-159.815941.4-40000109.1
798T28Very low28.8Very low112 Ų112128.7 Ų128.769%0.68775%0.749SS**  cis-137.3143.435.7-7.80000108.7
799T28.3Very low28.6Very low117.667 Ų117.667130.2 Ų130.272%0.72275%0.75SS**  76.1134.9123.948.60000114.5
800T27.2Very low28.7Very low112 Ų112132.5 Ų132.569%0.68775%0.752SS**  cis156.7143.942.124.50000109.9
801T28.5Very low28.8Very low117.75 Ų117.75134.2 Ų134.272%0.72275%0.754SS**  157.4137.355.834.20000112.7
802T27.2Very low29.1Very low115 Ų115135.6 Ų135.671%0.70676%0.755SS**  92.9135.7108.1-230000116.7
803T28.1Very low29.1Very low127 Ų127136.4 Ų136.478%0.77976%0.755SS**  trans93.3147.3142.546.50000117.7
804R27.2Very low29Very low226.5 Ų226.5139.5 Ų139.586%0.85576%0.758SS**  140.3140.557-173.6177.6-173.5168.62.3113.2
805S27Very low28.8Very low90 Ų90142 Ų14263%0.62977%0.765SS**  trans62.4129.4145.968.30000119.1
806T26.6Very low28.8Very low127 Ų127141.5 Ų141.578%0.77976%0.761SS**  101.1146110.959.10000118.7
807K29.3Very low28.9Very low193.75 Ų193.75144 Ų14484%0.84276%0.764SS**  trans75.1124.8171.3-67.8-178.3177.9-178.60116.3
808T26.8Very low29Very low126 Ų126147.5 Ų147.577%0.77377%0.769SS**  cis-177.5127.35.931.80000110.2
809K27.5Very low29.1Very low185.75 Ų185.75149.1 Ų149.181%0.80877%0.773SS**  trans147.7122.4164.2-80.3-177.3167.9-155.50111.4
810E28.6Very low28.9Very low171.25 Ų171.25149.5 Ų149.580%0.878%0.775SS**  trans133.1126.9155.1-89.6155.4-157.500111.4
811I32.5Very low28.9Very low140.25 Ų140.25151.8 Ų151.872%0.71978%0.783SS**  -148.594.5106.7-71.3162.7000111.1E813I811-E813 VanDerWaalsContact C-N 3.33Å; I811-E813 VanDerWaalsContact CG2-N 3.32Å; I811-E813 PolarHBondContact O-N 3.42Å
812I31.8Very low29Very low152.25 Ų152.25151.8 Ų151.878%0.78178%0.782SS**  trans1.462.5154.5-62.9177.7000113.5
813E29.9Very low29Very low171 Ų171153.3 Ų153.380%0.79978%0.784SS**SBendtrans-173.2-20.5144-99.6173170.500114.6I811 L815 S816I811-E813 VanDerWaalsContact C-N 3.33Å; I811-E813 VanDerWaalsContact CG2-N 3.32Å; I811-E813 PolarHBondContact O-N 3.42Å; E813-L815 PolarHBondContact O-N 3.07Å; E813-S816 PolarHBondContact O-OG 3.11Å
814E30.5Very low29.1Very low171 Ų171154.2 Ų154.280%0.79978%0.784SS**THydrogen-bonded Turntrans-102.7-16.1-154.3-139.8-179.7-174.100116.4
815L31.3Very low29.2Very low169.25 Ų169.25152.5 Ų152.589%0.88678%0.783SS**THydrogen-bonded Turntrans-124.925.3179.4-71173.9000116.8E813E813-L815 PolarHBondContact O-N 3.07Å
816S30.4Very low29.3Very low96 Ų96156.5 Ų156.567%0.67179%0.792SS**  trans-7013.6160.384.50000116.6E813E813-S816 PolarHBondContact O-OG 3.11Å
817Q31.2Very low29.3Very low174.25 Ų174.25157.1 Ų157.181%0.81479%0.79SS**  trans-100.672172.3-63.8-175.78.300117.2
818K31.5Very low29.2Very low202.25 Ų202.25156.9 Ų156.988%0.87979%0.789SS**  trans-151.777148.7-121.3160.7-174.51680113.2
819N29.3Very low29.3Very low144.75 Ų144.75155.6 Ų155.677%0.77479%0.786SS**  trans-86.4129.5156.6-99.4-11.2000112.8
820T25.5Very low29.2Very low126 Ų126155.1 Ų155.177%0.77379%0.786SS**  trans55.6124.5141.739.70000116.1
821L26.9Very low29.2Very low161 Ų161151.6 Ų151.684%0.84378%0.781SS**  trans-167.9146.7147.9-94.7165.3000110.3I823L821-I823 HydrophobicContact CD2-CD1 3.89Å
822V29.5Very low29Very low116.75 Ų116.75150.2 Ų150.271%0.70878%0.778SS**  trans80.1127.2148.4-173.20000114D824V822-D824 HydrophobicContact CG1-CB 3.76Å; V822-D824 WeakPolarHBondContact CG1-OD1 3.49Å
823I28.6Very low29Very low147.5 Ų147.5151.4 Ų151.476%0.75678%0.778SS**  77.810397-56.9-179.6000113L821L821-I823 HydrophobicContact CD2-CD1 3.89Å
824D28.8Very low28.9Very low146.25 Ų146.25149.7 Ų149.778%0.78277%0.774SS**  trans-99.9128.2167.2-72-44.6000115.6V822V822-D824 HydrophobicContact CG1-CB 3.76Å; V822-D824 WeakPolarHBondContact CG1-OD1 3.49Å
825K30.5Very low28.9Very low189.5 Ų189.5146.7 Ų146.782%0.82477%0.767SS**  trans-145105.7167.5-78.6-177.5178176.20114.9
826E27.7Very low28.9Very low174.75 Ų174.75145.5 Ų145.582%0.81776%0.757SS**  trans-95.6100.6153.1-71.4-178.7122.400112.2K828 S829E826-K828 PolarHBondContact O-N 2.77Å; E826-S829 PolarHBondContact O-OG 2.85Å
827N26.6Very low29Very low139.5 Ų139.5148.5 Ų148.575%0.74676%0.758SS**  trans-5.396.3144.4-78.5-29.7000115
828K28.3Very low28.9Very low189.75 Ų189.75147.1 Ų147.183%0.82575%0.751SS**  trans149111.9161.1-72.4177179.1172.80114.7E826 S831E826-K828 PolarHBondContact O-N 2.77Å; K828-S831 PolarHBondContact O-OG 2.91Å
829S27.7Very low28.8Very low99.5 Ų99.5147.4 Ų147.470%0.69675%0.747SS**  trans-91.1128.9159.346.40000114.4E826E826-S829 PolarHBondContact O-OG 2.85Å
830E27Very low28.9Very low175.25 Ų175.25145.9 Ų145.982%0.81974%0.742SS**  trans-108.9109.3153.9-91.3-179.2145.800114.3V832 N834E830-V832 VanDerWaalsContact C-N 3.34Å; E830-V832 PolarHBondContact O-N 3.15Å; E830-N834 PolarHBondContact O-N 2.93Å
831S27Very low29Very low97.25 Ų97.25150.1 Ų150.168%0.6874%0.744SS**  trans1.3160.5156.367.20000116.8K828 N834 V835K828-S831 PolarHBondContact O-OG 2.91Å; S831-N834 PolarHBondContact O-N 3.34Å; S831-V835 WeakPolarHBondContact O-CG2 3.14Å; S831-V835 PolarHBondContact O-N 3.49Å
832V29.9Very low29.1Very low110 Ų110148 Ų14867%0.66773%0.734SS**  trans25.483.5172.2-165.40000113.8E830 N834 V835 E836E830-V832 VanDerWaalsContact C-N 3.34Å; E830-V832 PolarHBondContact O-N 3.15Å; V832-N834 VanDerWaalsContact C-N 3.26Å; V832-N834 PolarHBondContact O-N 3.24Å; V832-V835 PolarHBondContact O-N 2.95Å; V832-E836 PolarHBondContact O-N 3.33Å
833K30.2Very low29.2Very low178 Ų178149.9 Ų149.977%0.77474%0.735SS**  trans34.2120.9130-69.7173.5-176.4174.60113.1K837K833-K837 PolarHBondContact O-N 2.85Å
834N29.1Very low29.2Very low134.25 Ų134.25149.9 Ų149.972%0.71874%0.736SS**  -135.7123.765.3-89.8-17.3000107.7E830 S831 V832 K837 Q838E830-N834 PolarHBondContact O-N 2.93Å; S831-N834 PolarHBondContact O-N 3.34Å; V832-N834 VanDerWaalsContact C-N 3.26Å; V832-N834 PolarHBondContact O-N 3.24Å; N834-K837 PolarHBondContact O-N 3.27Å; N834-Q838 VanDerWaalsContact O-CB 3.27Å; N834-Q838 WeakPolarHBondContact O-CB 3.48Å; N834-Q838 PolarHBondContact O-N 3.07Å
835V30.7Very low29.1Very low108 Ų108149.3 Ų149.366%0.65573%0.733SS**  trans-2.6111147.3-177.40000110.2S831 V832 K837 Q838 R839S831-V835 WeakPolarHBondContact O-CG2 3.14Å; S831-V835 PolarHBondContact O-N 3.49Å; V832-V835 PolarHBondContact O-N 2.95Å; V835-K837 HydrophobicContact CG1-CD 3.67Å; V835-K837 HydrophobicContact CG1-CG 3.92Å; V835-Q838 PolarHBondContact O-N 2.87Å; V835-R839 VanDerWaalsContact O-CB 3.31Å; V835-R839 WeakPolarHBondContact O-CB 3.45Å; V835-R839 PolarHBondContact O-N 3.02Å
836E31.3Very low29Very low144 Ų144145.3 Ų145.367%0.67372%0.724SS**  -160.8106.1118.5-154.679.2-101.900109.3V832 Q838 R839 V840V832-E836 PolarHBondContact O-N 3.33Å; E836-Q838 VanDerWaalsContact C-N 3.31Å; E836-Q838 PolarHBondContact O-N 2.86Å; E836-R839 PolarHBondContact O-N 2.73Å; E836-R839 IonicContact OE1-NH1 3.82Å; E836-V840 WeakPolarHBondContact O-CG2 3.34Å; E836-V840 PolarHBondContact O-N 3.15Å; E836-V840 VanDerWaalsContact O-N 3.09Å
837K31.3Very low29Very low161 Ų161143.1 Ų143.170%0.772%0.718SS**  -158.690.4119.8-89.5-179.5179.6159.60111.3K833 N834 V835 R841K833-K837 PolarHBondContact O-N 2.85Å; N834-K837 PolarHBondContact O-N 3.27Å; V835-K837 HydrophobicContact CG1-CD 3.67Å; V835-K837 HydrophobicContact CG1-CG 3.92Å; K837-R841 PolarHBondContact O-N 3.03Å
838Q29.4Very low29.1Very low143 Ų143143.5 Ų143.567%0.66872%0.719SS**  trans68.180.1135.9-142.9149.49.600113.4N834 V835 E836 V840 R841 D842N834-Q838 VanDerWaalsContact O-CB 3.27Å; N834-Q838 WeakPolarHBondContact O-CB 3.48Å; N834-Q838 PolarHBondContact O-N 3.07Å; V835-Q838 PolarHBondContact O-N 2.87Å; E836-Q838 VanDerWaalsContact C-N 3.31Å; E836-Q838 PolarHBondContact O-N 2.86Å; Q838-V840 VanDerWaalsContact C-N 3.31Å; Q838-V840 PolarHBondContact O-N 3.24Å; Q838-R841 CarbonylContact O-C 3.48Å; Q838-R841 WeakPolarHBondContact O-CA 3.36Å; Q838-R841 WeakPolarHBondContact O-CB 3.46Å; Q838-R841 PolarHBondContact O-N 3.01Å; Q838-D842 PolarHBondContact NE2-OD1 2.73Å; Q838-D842 PolarHBondContact O-N 3.4Å
839R28.9Very low28.9Very low210.25 Ų210.25140.5 Ų140.579%0.79371%0.712SS**  trans-168.7141.8147.3-133.8-179.3-151172.6-1.5111.8V835 E836 D842 Q843V835-R839 VanDerWaalsContact O-CB 3.31Å; V835-R839 WeakPolarHBondContact O-CB 3.45Å; V835-R839 PolarHBondContact O-N 3.02Å; E836-R839 PolarHBondContact O-N 2.73Å; E836-R839 IonicContact OE1-NH1 3.82Å; R839-D842 PolarHBondContact O-N 3.08Å; R839-Q843 WeakPolarHBondContact O-CB 3.34Å; R839-Q843 VanDerWaalsContact O-CG 3.28Å; R839-Q843 WeakPolarHBondContact O-CG 3.36Å; R839-Q843 PolarHBondContact O-N 3.4Å
840V32.3Very low28.9Very low111.5 Ų111.5143.9 Ų143.968%0.67672%0.717SS**  -149.993.4128.1-179.10000109.8E836 Q838 L844E836-V840 WeakPolarHBondContact O-CG2 3.34Å; E836-V840 PolarHBondContact O-N 3.15Å; E836-V840 VanDerWaalsContact O-N 3.09Å; Q838-V840 VanDerWaalsContact C-N 3.31Å; Q838-V840 PolarHBondContact O-N 3.24Å; V840-L844 HydrophobicContact CG1-CD1 4.23Å; V840-L844 WeakPolarHBondContact O-CG 3.33Å; V840-L844 PolarHBondContact O-N 2.87Å; V840-L844 VanDerWaalsContact O-N 3.09Å
841R27.5Very low28.9Very low215.5 Ų215.5140.3 Ų140.381%0.81371%0.711SS**  trans-86.1108.8140.3-101.6-178.4-173.4112.50.7111.3K837 Q838 Q843 L844 N845K837-R841 PolarHBondContact O-N 3.03Å; Q838-R841 CarbonylContact O-C 3.48Å; Q838-R841 WeakPolarHBondContact O-CA 3.36Å; Q838-R841 WeakPolarHBondContact O-CB 3.46Å; Q838-R841 PolarHBondContact O-N 3.01Å; R841-Q843 VanDerWaalsContact C-N 3.35Å; R841-Q843 PolarHBondContact O-N 2.98Å; R841-L844 CarbonylContact O-C 3.54Å; R841-L844 PolarHBondContact O-N 2.88Å; R841-N845 WeakPolarHBondContact O-CB 3.47Å; R841-N845 PolarHBondContact O-N 3.1Å
842D29.1Very low28.9Very low115.75 Ų115.75144.1 Ų144.162%0.61972%0.715SS**  trans-157.5121.6165.1-69.6-26.8000110.8Q838 R839 N845 V846Q838-D842 PolarHBondContact NE2-OD1 2.73Å; Q838-D842 PolarHBondContact O-N 3.4Å; R839-D842 PolarHBondContact O-N 3.08Å; D842-N845 PolarHBondContact O-N 3.04Å; D842-N845 VanDerWaalsContact O-N 3.14Å; D842-V846 WeakPolarHBondContact O-CG2 3.28Å; D842-V846 PolarHBondContact O-N 3.15Å
843Q30.4Very low28.7Very low157.25 Ų157.25145.6 Ų145.674%0.73572%0.72SS**  156.697116.1-85.3174.549.600111.8R839 R841 N845R839-Q843 WeakPolarHBondContact O-CB 3.34Å; R839-Q843 VanDerWaalsContact O-CG 3.28Å; R839-Q843 WeakPolarHBondContact O-CG 3.36Å; R839-Q843 PolarHBondContact O-N 3.4Å; R841-Q843 VanDerWaalsContact C-N 3.35Å; R841-Q843 PolarHBondContact O-N 2.98Å; Q843-N845 VanDerWaalsContact C-N 3.33Å
844L29Very low28.5Very low147 Ų147147.8 Ų147.877%0.7773%0.725SS**  trans-165.383.7152.4-80.3163.1000110.9V840 R841V840-L844 HydrophobicContact CG1-CD1 4.23Å; V840-L844 WeakPolarHBondContact O-CG 3.33Å; V840-L844 PolarHBondContact O-N 2.87Å; V840-L844 VanDerWaalsContact O-N 3.09Å; R841-L844 CarbonylContact O-C 3.54Å; R841-L844 PolarHBondContact O-N 2.88Å
845N26.4Very low28.4Very low134.5 Ų134.5149.5 Ų149.572%0.71973%0.731SS**  -8.6125.4107.2-155.119.2000111.8R841 D842 Q843 N849R841-N845 WeakPolarHBondContact O-CB 3.47Å; R841-N845 PolarHBondContact O-N 3.1Å; D842-N845 PolarHBondContact O-N 3.04Å; D842-N845 VanDerWaalsContact O-N 3.14Å; Q843-N845 VanDerWaalsContact C-N 3.33Å; N845-N849 PolarHBondContact O-ND2 3.46Å
846V30Very low28.4Very low106.25 Ų106.25148.8 Ų148.864%0.64473%0.728SS**  trans102.6109174.1-179.90000112.5D842 L848 N849D842-V846 WeakPolarHBondContact O-CG2 3.28Å; D842-V846 PolarHBondContact O-N 3.15Å; V846-L848 PolarHBondContact O-N 3.24Å; V846-N849 PolarHBondContact O-N 3.15Å; V846-N849 VanDerWaalsContact O-N 3.13Å
847N27.1Very low28.1Very low127.5 Ų127.5150.4 Ų150.468%0.68274%0.736SS**  trans-53138.5170.9-82.6-16.9000113
848L28Very low27.9Very low148 Ų148149.8 Ų149.878%0.77574%0.738SS**  trans174.289.3148.8-77.2157000112.2V846V846-L848 PolarHBondContact O-N 3.24Å
849N25.3Very low27.6Very low127.75 Ų127.75150.4 Ų150.468%0.68375%0.745SS**  trans13.1104.2148.9-73.1-24.8000114.4N845 V846 S851N845-N849 PolarHBondContact O-ND2 3.46Å; V846-N849 PolarHBondContact O-N 3.15Å; V846-N849 VanDerWaalsContact O-N 3.13Å; N849-S851 VanDerWaalsContact C-N 3.27Å; N849-S851 PolarHBondContact O-N 2.82Å
850E27.9Very low27.5Very low170.25 Ų170.25145.3 Ų145.380%0.79674%0.742SS**  trans-110.795.2157.8-81.7168.9-16900111.7K852E850-K852 VanDerWaalsContact C-N 3.29Å; E850-K852 PolarHBondContact O-N 3.27Å
851S27Very low27.1Very low98.75 Ų98.75145.9 Ų145.969%0.69175%0.746SS**  0.6107.1114.695.40000113.2N849N849-S851 VanDerWaalsContact C-N 3.27Å; N849-S851 PolarHBondContact O-N 2.82Å
852K26.6Very low27.3Very low177.25 Ų177.25141.1 Ų141.177%0.77174%0.743SS**  trans-142.1110.7156-73.4164.4-179.6168.90113.1E850 Y854E850-K852 VanDerWaalsContact C-N 3.29Å; E850-K852 PolarHBondContact O-N 3.27Å; K852-Y854 PolarHBondContact O-N 3.43Å
853N24.7Very low27Very low141.5 Ų141.5141.3 Ų141.376%0.75775%0.748SS**  trans-31.2115.2153.4-66.6-15.5000114.6
854Y26.1Very low26.7Very low224.25 Ų224.25139.9 Ų139.988%0.87975%0.746SS**  -145.6114.2120.4-92.9-81.5000110.6K852K852-Y854 PolarHBondContact O-N 3.43Å
855M26.8Very low26.6Very low171.25 Ų171.25140.5 Ų140.584%0.84475%0.745SS**  trans-98.6149.6140.7-95.4-83149.600108.9
856P30.6Very low26.5Very low92.5 Ų92.5140.8 Ų140.860%0.60175%0.746SS**  cis-130.9175.845.337.2-20.3000114.9
857E25.9Very low26.4Very low178.25 Ų178.25144.1 Ų144.183%0.83376%0.755SS**  trans53.7135.6149.5-77.9171168.700118
858I26.4Very low26.3Very low147.5 Ų147.5146.1 Ų146.176%0.75676%0.76SS**  trans-135.9121.2136.9-75170.7000111.7
859L23.9Very low26.1Very low155 Ų155146.3 Ų146.381%0.81276%0.757SS**  trans21.4135.6161.6-97.384.8000115.9T861L859-T861 HydrophobicContact CD2-CG2 4.06Å
860S26.1Very low26Very low104.25 Ų104.25146.8 Ų146.873%0.72976%0.755SS**  -155.1126.666.123.20000108
861T25.3Very low25.9Very low124.5 Ų124.5145.8 Ų145.876%0.76475%0.75SS**  -83.6150.312548.50000110.6L859L859-T861 HydrophobicContact CD2-CG2 4.06Å
862P29.9Very low25.8Very low114.75 Ų114.75149.1 Ų149.175%0.74576%0.755SS**  trans-119.1158.8152.736.1-24.2000114
863T23.7Very low25.7Very low119.75 Ų119.75148.8 Ų148.874%0.73576%0.756SS**  trans16.7135.4154.948.90000114.9
864N24.3Very low25.6Very low126.5 Ų126.5149.2 Ų149.268%0.67676%0.757SS**  -152.2159.7113-82.45.8000111.8
865E27.4Very low25.4Very low160 Ų160144.5 Ų144.575%0.74875%0.752SS**  trans-47.5126.5134-78.8144.1-157.600113.1
866D24.5Very low25.3Very low140.25 Ų140.25143.2 Ų143.275%0.7575%0.747SS**  81.2147.689.3-73.3-44.5000110.5
867E26Very low24.9Very low176.5 Ų176.5147 Ų14783%0.82576%0.757SS**  trans115.3143.3138.2-75.3176.7173.300113.9
868E25.7Very low24.8Very low168.5 Ų168.5143.5 Ų143.579%0.78775%0.752SS**  136.4148.869.3-84-178167.700114.9
869E23.4Very low24.6Very low152.75 Ų152.75142.8 Ų142.871%0.71476%0.755SS**  trans86.5150.6131-83.7-165.515100116.8
870Q24Very low24.6Very low139.5 Ų139.5140.5 Ų140.565%0.65275%0.752SS**  108.4131.7129.8-80.7176.445.600118
871Q24.7Very low24.4Very low148.25 Ų148.25142.1 Ų142.169%0.69376%0.758SS**  trans63.1125.6145-57.4171.929.700119
872H26.7Very low24.4Very low168.5 Ų168.5140.6 Ų140.678%0.7875%0.752SS**  166.614595.7-89.6-77000114.6
873Q23.2Very low24.2Very low169.75 Ų169.75143 Ų14379%0.79375%0.753SS**  trans-137145-176.5-136.4177.28.600112.5
874L22.7Very low24.3Very low151.25 Ų151.25147.7 Ų147.779%0.79276%0.758SS**  trans58.9140.6143.9-81.1154.5000117.8
875V23.1Very low24.5Very low125.75 Ų125.75146 Ų14676%0.76275%0.751SS**  trans110.1109.6159.4-175.30000114.8
876L22.9Very low24.5Very low143 Ų143144.7 Ų144.775%0.74975%0.745SS**  100.5126.786.4-83.2173.9000116.9
877Q22.8Very low24.9Very low172.75 Ų172.75142 Ų14281%0.80773%0.73SS**  trans91.8132.3134.9-72.6176.5-23.900116.2
878S23.2Very low25.4Very low103.75 Ų103.75138.3 Ų138.373%0.72672%0.716SS**  trans-168.6127.2140.7540000112.8
879T22.6Very low26.5Very low134.5 Ų134.5132.5 Ų132.583%0.82570%0.697SS**  -173.3138.165.829.70000111.8
880S24.3Very low28Very low106.5 Ų106.5129 Ų12975%0.74568%0.681SS**  -169.6133.4126.1560000112.3
881T23.1Very low29.8Very low138 Ų138124.5 Ų124.585%0.84766%0.661SS**  trans-85.7143.8165.144.60000112.2
882S24.9Very low31.8Very low91.5 Ų91.5119.7 Ų119.764%0.6464%0.637SS**  trans-156.5132.8156.8-117.50000111.5R884 R937S882-R884 PolarHBondContact O-N 3.22Å; S882-R937 PolarHBondContact OG-NH2 2.77Å
883E25Very low33.7Very low165.25 Ų165.25115.5 Ų115.577%0.77262%0.62SS**  trans5.5128.6164.6-64-167.8131.700116.1V885E883-V885 PolarHBondContact O-N 3.43Å
884R25.2Very low35.6Very low219.5 Ų219.5109.7 Ų109.783%0.82859%0.591SS**  trans-86.9124.2176.4-71.2177.8176.2171.2-1.3109.6S882 H886S882-R884 PolarHBondContact O-N 3.22Å; R884-H886 PolarHBondContact O-N 3.32Å; R884-H886 VanDerWaalsContact O-N 3.11Å
885V28.2Very low37.4Very low89.25 Ų89.25106.3 Ų106.354%0.54157%0.574SS.*  trans-104.4125.3153.5175.20000108.6E883 L887 Y892 I972 R1036E883-V885 PolarHBondContact O-N 3.43Å; V885-L887 PolarHBondContact O-N 3.09Å; V885-L887 VanDerWaalsContact O-N 3.14Å; V885-Y892 HydrophobicContact CG1-CD1 4.11Å; V885-Y892 HydrophobicContact CG1-CE1 3.43Å; V885-Y892 VanDerWaalsContact CG1-CE1 3.43Å; V885-Y892 HydrophobicContact CG1-CE2 4.37Å; V885-I972 HydrophobicContact CG2-CG2 4.47Å; V885-R1036 VanDerWaalsContact CG1-NH2 3.26Å; V885-R1036 PolarHBondContact O-NE 3.24Å; V885-R1036 PolarHBondContact O-NH2 3.44Å
886H28Very low39.2Very low134.25 Ų134.25102 Ų10262%0.62256%0.555SS**  trans-66.6127.4179.7-96.1-113000111.7R884 D888 Y892 H1029 R1036R884-H886 PolarHBondContact O-N 3.32Å; R884-H886 VanDerWaalsContact O-N 3.11Å; H886-D888 VanDerWaalsContact C-N 3.28Å; H886-D888 IonicContact CE1-OD1 2.81Å; H886-D888 IonicContact CG-OD1 3.62Å; H886-D888 IonicContact ND1-OD1 3.6Å; H886-D888 PolarHBondContact ND1-OD1 2.97Å; H886-D888 PolarHBondContact O-N 2.86Å; H886-D888 VanDerWaalsContact O-N 3.09Å; H886-Y892 PolarHBondContact O-OH 3.49Å; H886-H1029 AromaticContact CE1-CE1 3.48Å; H886-H1029 PolarHBondContact CE1-CE1 3.33Å; H886-H1029 VanDerWaalsContact CE1-CE1 3.48Å; H886-H1029 AromaticContact CE1-NE2 3.85Å; H886-H1029 AromaticContact ND1-CE1 3.84Å; H886-H1029 AromaticContact NE2-CE1 3.61Å; H886-R1036 PolarHBondContact O-NH2 3.27Å
887L34Very low41.3Very low83 Ų8396.5 Ų96.544%0.43552%0.524SS..  trans-98.898.4162.4-104.1120.6000108.7V885 A889 Y892 C901 L1025 S1028 A1032 F1103V885-L887 PolarHBondContact O-N 3.09Å; V885-L887 VanDerWaalsContact O-N 3.14Å; L887-A889 PolarHBondContact O-N 3.07Å; L887-Y892 HydrophobicContact CD2-CE2 4.24Å; L887-C901 HydrophobicContact CD2-CB 3.66Å; L887-L1025 HydrophobicContact CD1-CD1 4.33Å; L887-L1025 HydrophobicContact CD2-CD1 4.06Å; L887-S1028 VanDerWaalsContact CD1-CB 3.48Å; L887-S1028 VanDerWaalsContact CD2-OG 3.26Å; L887-S1028 WeakPolarHBondContact CD2-OG 3.47Å; L887-A1032 HydrophobicContact CB-CB 4.29Å; L887-F1103 HydrophobicContact CD1-CD1 4.08Å; L887-F1103 HydrophobicContact CD2-CD1 3.8Å; L887-F1103 HydrophobicContact CD2-CE1 4.13Å; L887-F1103 HydrophobicContact CG-CD1 4.47Å
888D36.4Very low43.6Very low99.25 Ų99.2590 Ų9053%0.53149%0.493SS..  trans-67.9143.5169.3-67-30.5000110.4H886 Q890H886-D888 VanDerWaalsContact C-N 3.28Å; H886-D888 IonicContact CE1-OD1 2.81Å; H886-D888 IonicContact CG-OD1 3.62Å; H886-D888 IonicContact ND1-OD1 3.6Å; H886-D888 PolarHBondContact ND1-OD1 2.97Å; H886-D888 PolarHBondContact O-N 2.86Å; H886-D888 VanDerWaalsContact O-N 3.09Å; D888-Q890 VanDerWaalsContact C-N 3.25Å; D888-Q890 HydrophobicContact CB-CG 3.97Å; D888-Q890 PolarHBondContact O-N 2.97Å; D888-Q890 VanDerWaalsContact O-N 3.16Å; D888-Q890 PolarHBondContact OD2-NE2 3.46Å
889A48.5Very low45.9Very low46.5 Ų46.585.2 Ų85.238%0.38446%0.46SS..  trans-73.673.2179.300000111.4L887 F900 F982L887-A889 PolarHBondContact O-N 3.07Å; A889-F900 HydrophobicContact CB-CE2 4.12Å; A889-F900 HydrophobicContact CB-CZ 3.89Å; A889-F900 WeakPolarHBondContact O-CE2 3.49Å; A889-F982 HydrophobicContact CB-CB 4.09Å; A889-F982 HydrophobicContact CB-CD1 3.96Å; A889-F982 HydrophobicContact CB-CD2 3.48Å; A889-F982 VanDerWaalsContact CB-CD2 3.48Å; A889-F982 HydrophobicContact CB-CE1 4.21Å; A889-F982 HydrophobicContact CB-CE2 3.77Å; A889-F982 HydrophobicContact CB-CG 3.58Å; A889-F982 HydrophobicContact CB-CZ 4.13Å; A889-F982 WeakPolarHBondContact O-CD2 3.26Å
890Q54.4Low48.2Very low80 Ų8080.2 Ų80.237%0.37443%0.427SS..  trans-85.5138.8-179.4-63.3-176.511.200111.3D888 Y892D888-Q890 VanDerWaalsContact C-N 3.25Å; D888-Q890 HydrophobicContact CB-CG 3.97Å; D888-Q890 PolarHBondContact O-N 2.97Å; D888-Q890 VanDerWaalsContact O-N 3.16Å; D888-Q890 PolarHBondContact OD2-NE2 3.46Å; Q890-Y892 HydrophobicContact CB-CD2 4.29Å; Q890-Y892 HydrophobicContact CB-CE1 4.38Å; Q890-Y892 HydrophobicContact CB-CE2 3.84Å; Q890-Y892 VanDerWaalsContact O-CD2 3.25Å; Q890-Y892 WeakPolarHBondContact O-CD2 3.26Å; Q890-Y892 WeakPolarHBondContact O-CE2 3.44Å; Q890-Y892 PolarHBondContact OE1-OH 3.08Å
891L61.3Low50.2Low44 Ų4476.4 Ų76.423%0.2340%0.399CS..EExtended strand (participates in β ladder)trans-96.5114.3174.4-17774.1000109.1H898 F899 F900 F909 I972 I976 I978 T979L891-H898 HydrophobicContact CD1-CB 4.21Å; L891-F899 CarbonylContact C-O 3.53Å; L891-F900 HydrophobicContact CB-CD2 4.47Å; L891-F900 HydrophobicContact CD1-CB 4.07Å; L891-F900 HydrophobicContact CD1-CD2 4.24Å; L891-F909 HydrophobicContact CD1-CE1 4.21Å; L891-F909 HydrophobicContact CD1-CZ 3.99Å; L891-I972 HydrophobicContact CD2-CD1 4.14Å; L891-I972 HydrophobicContact CD2-CG1 4.01Å; L891-I976 HydrophobicContact CB-CG2 4.26Å; L891-I976 HydrophobicContact CD2-CB 4.48Å; L891-I976 HydrophobicContact CD2-CG2 4.21Å; L891-I978 HydrophobicContact CB-CD1 4Å; L891-I978 HydrophobicContact CD2-CD1 4.21Å; L891-I978 HydrophobicContact CD2-CG1 4.07Å; L891-I978 HydrophobicContact CG-CD1 4.49Å; L891-I978 HydrophobicContact CG-CG1 4.42Å; L891-T979 PolarHBondContact O-N 3.02Å; L891-T979 PolarHBondContact O-OG1 3.13Å
892Y66.7Low52.1Low48 Ų4872.6 Ų72.619%0.18837%0.373CS..EExtended strand (participates in β ladder)trans-99.6141.8178.5-55.5-91.6000110.9V885 H886 L887 Q890 H898 F899 C901 T979 L981 I1016 F1103V885-Y892 HydrophobicContact CG1-CD1 4.11Å; V885-Y892 HydrophobicContact CG1-CE1 3.43Å; V885-Y892 VanDerWaalsContact CG1-CE1 3.43Å; V885-Y892 HydrophobicContact CG1-CE2 4.37Å; H886-Y892 PolarHBondContact O-OH 3.49Å; L887-Y892 HydrophobicContact CD2-CE2 4.24Å; Q890-Y892 HydrophobicContact CB-CD2 4.29Å; Q890-Y892 HydrophobicContact CB-CE1 4.38Å; Q890-Y892 HydrophobicContact CB-CE2 3.84Å; Q890-Y892 VanDerWaalsContact O-CD2 3.25Å; Q890-Y892 WeakPolarHBondContact O-CD2 3.26Å; Q890-Y892 WeakPolarHBondContact O-CE2 3.44Å; Q890-Y892 PolarHBondContact OE1-OH 3.08Å; Y892-H898 CarbonylContact O-C 3.55Å; Y892-H898 VanDerWaalsContact O-CA 3.29Å; Y892-H898 WeakPolarHBondContact O-CA 3.38Å; Y892-F899 PolarHBondContact N-O 2.91Å; Y892-F899 PolarHBondContact O-N 3.19Å; Y892-C901 HydrophobicContact CD2-CB 4.11Å; Y892-C901 HydrophobicContact CE2-CB 3.69Å; Y892-T979 CarbonylContact C-O 3.42Å; Y892-T979 WeakPolarHBondContact CA-O 3.4Å; Y892-T979 WeakPolarHBondContact CD1-OG1 3.36Å; Y892-T979 WeakPolarHBondContact CE1-OG1 3.35Å; Y892-L981 VanDerWaalsContact CB-CD1 3.49Å; Y892-L981 HydrophobicContact CD1-CD1 4.01Å; Y892-L981 HydrophobicContact CD2-CD1 4.07Å; Y892-L981 HydrophobicContact CG-CD1 3.76Å; Y892-I1016 HydrophobicContact CE1-CD1 4.13Å; Y892-I1016 HydrophobicContact CE2-CD1 4.42Å; Y892-I1016 HydrophobicContact CE2-CG2 4.2Å; Y892-I1016 VanDerWaalsContact OH-CG2 3.23Å; Y892-I1016 WeakPolarHBondContact OH-CG2 3.44Å; Y892-F1103 AromaticContact CD2-CE1 3.7Å; Y892-F1103 HydrophobicContact CD2-CE1 3.7Å; Y892-F1103 AromaticContact CD2-CZ 3.79Å; Y892-F1103 HydrophobicContact CD2-CZ 3.79Å; Y892-F1103 AromaticContact CE2-CE1 3.59Å; Y892-F1103 HydrophobicContact CE2-CE1 3.59Å; Y892-F1103 HydrophobicContact CE2-CZ 4.08Å; Y892-F1103 HydrophobicContact CG-CZ 4.23Å
893N67.8Low53.8Low80.25 Ų80.2569.8 Ų69.843%0.42936%0.358SS..EExtended strand (participates in β ladder)trans-115.4128.4172.3-178.31.4000109.9G896 W897 I978 T979 L981N893-G896 WeakPolarHBondContact OD1-CA 3.23Å; N893-G896 PolarHBondContact OD1-N 2.89Å; N893-W897 WeakPolarHBondContact CA-O 3.25Å; N893-W897 PolarHBondContact OD1-O 3.27Å; N893-I978 HydrophobicContact CB-CG2 3.59Å; N893-T979 PolarHBondContact N-O 3.09Å; N893-L981 WeakPolarHBondContact O-CB 3.3Å; N893-L981 PolarHBondContact O-N 3.07Å
894W63.1Low55.7Low46.5 Ų46.565.8 Ų65.818%0.17634%0.339CS..EExtended strand (participates in β ladder)trans-138.4115.1172.5-178.866.6000109.9G896 W897 F899 R960 M964 L981 F982 T1098 V1101 C1108 L1110 T1117 V1119 E1143W894-G896 VanDerWaalsContact C-N 3.29Å; W894-G896 PolarHBondContact O-N 3.19Å; W894-G896 VanDerWaalsContact O-N 3.11Å; W894-W897 AromaticContact CE3-CD1 3.93Å; W894-W897 AromaticContact CZ3-CD1 3.99Å; W894-W897 PolarHBondContact N-O 3.25Å; W894-W897 WeakPolarHBondContact O-CB 3.3Å; W894-W897 PolarHBondContact O-N 3.2Å; W894-W897 VanDerWaalsContact O-N 3.09Å; W894-F899 HydrophobicContact CB-CD2 4.32Å; W894-F899 HydrophobicContact CB-CE2 3.99Å; W894-F899 AromaticContact CE3-CE2 3.88Å; W894-F899 HydrophobicContact CE3-CE2 4.02Å; W894-F899 AromaticContact CE3-CZ 3.8Å; W894-F899 HydrophobicContact CE3-CZ 3.89Å; W894-F899 HydrophobicContact CZ3-CZ 4.28Å; W894-R960 HydrophobicContact CH2-CB 4.32Å; W894-R960 HydrophobicContact CH2-CG 4.28Å; W894-M964 HydrophobicContact CE3-SD 4.11Å; W894-M964 HydrophobicContact CZ3-SD 4.06Å; W894-L981 HydrophobicContact CB-CB 4.06Å; W894-L981 HydrophobicContact CB-CD2 4.15Å; W894-L981 HydrophobicContact CG-CD2 4.29Å; W894-F982 AromaticContact CD1-CD2 3.72Å; W894-F982 HydrophobicContact CG-CD2 4.23Å; W894-F982 HydrophobicContact CG-CE2 4.23Å; W894-F982 AromaticContact NE1-CE2 3.9Å; W894-T1098 PolarHBondContact NE1-O 3.44Å; W894-V1101 HydrophobicContact CD2-CG2 3.89Å; W894-V1101 HydrophobicContact CE3-CG2 4.43Å; W894-V1101 HydrophobicContact CG-CG2 4.23Å; W894-V1101 HydrophobicContact CH2-CG2 4.35Å; W894-V1101 HydrophobicContact CZ2-CG2 3.83Å; W894-C1108 HydrophobicContact CZ3-CB 4.3Å; W894-L1110 HydrophobicContact CD2-CD1 4.41Å; W894-L1110 HydrophobicContact CE3-CD1 4.35Å; W894-L1110 HydrophobicContact CH2-CB 4.12Å; W894-L1110 HydrophobicContact CH2-CD1 3.71Å; W894-L1110 HydrophobicContact CH2-CG 3.58Å; W894-L1110 HydrophobicContact CZ2-CB 3.73Å; W894-L1110 HydrophobicContact CZ2-CD1 3.92Å; W894-L1110 HydrophobicContact CZ2-CG 4.08Å; W894-L1110 HydrophobicContact CZ3-CD1 4.02Å; W894-L1110 HydrophobicContact CZ3-CG 3.85Å; W894-T1117 HydrophobicContact CZ2-CG2 4.25Å; W894-V1119 HydrophobicContact CD2-CG2 3.51Å; W894-V1119 HydrophobicContact CE3-CB 4.15Å; W894-V1119 HydrophobicContact CE3-CG1 4.25Å; W894-V1119 HydrophobicContact CE3-CG2 3.68Å; W894-V1119 HydrophobicContact CG-CG2 4.2Å; W894-V1119 HydrophobicContact CH2-CB 4.49Å; W894-V1119 HydrophobicContact CH2-CG1 4.41Å; W894-V1119 HydrophobicContact CH2-CG2 4.1Å; W894-V1119 HydrophobicContact CZ2-CG2 4.01Å; W894-V1119 HydrophobicContact CZ3-CB 4.16Å; W894-V1119 HydrophobicContact CZ3-CG1 3.57Å; W894-V1119 HydrophobicContact CZ3-CG2 3.66Å; W894-E1143 HydrophobicContact CH2-CB 3.69Å; W894-E1143 HydrophobicContact CZ2-CB 3.99Å
895N60.4Low57.6Low81.5 Ų81.557.6 Ų57.644%0.43631%0.312SS..THydrogen-bonded Turntrans49.340.9179.8-65.5-18.9000114.7W897 F1035 L1110 E1143 F1145N895-W897 VanDerWaalsContact C-N 3.27Å; N895-W897 PolarHBondContact O-N 3.03Å; N895-F1035 HydrophobicContact CB-CZ 4.27Å; N895-F1035 VanDerWaalsContact O-CE1 3.26Å; N895-F1035 WeakPolarHBondContact O-CE1 3.41Å; N895-F1035 WeakPolarHBondContact O-CZ 3.47Å; N895-L1110 HydrophobicContact CB-CD1 4.06Å; N895-L1110 WeakPolarHBondContact ND2-CD1 3.33Å; N895-E1143 WeakPolarHBondContact CB-OE1 3.31Å; N895-E1143 PolarHBondContact ND2-OE1 3.49Å; N895-F1145 WeakPolarHBondContact O-CD1 3.28Å
896G61.4Low59.6Low35.5 Ų35.553.8 Ų53.837%0.36629%0.288SS..THydrogen-bonded Turntrans81.44.4179.300000114.7N893 W894 N910N893-G896 WeakPolarHBondContact OD1-CA 3.23Å; N893-G896 PolarHBondContact OD1-N 2.89Å; W894-G896 VanDerWaalsContact C-N 3.29Å; W894-G896 PolarHBondContact O-N 3.19Å; W894-G896 VanDerWaalsContact O-N 3.11Å; G896-N910 VanDerWaalsContact O-CB 3.3Å; G896-N910 WeakPolarHBondContact O-CB 3.36Å
897W66.8Low61.7Low27 Ų2748.2 Ų48.210%0.10227%0.265CS..EExtended strand (participates in β ladder)trans-100.2125.7168.8-65.781000109.3N893 W894 N895 F899 I908 N910 A913 I915 Q918 V1119 L1141 S1142 E1143 F1149 L1343N893-W897 WeakPolarHBondContact CA-O 3.25Å; N893-W897 PolarHBondContact OD1-O 3.27Å; W894-W897 AromaticContact CE3-CD1 3.93Å; W894-W897 AromaticContact CZ3-CD1 3.99Å; W894-W897 PolarHBondContact N-O 3.25Å; W894-W897 WeakPolarHBondContact O-CB 3.3Å; W894-W897 PolarHBondContact O-N 3.2Å; W894-W897 VanDerWaalsContact O-N 3.09Å; N895-W897 VanDerWaalsContact C-N 3.27Å; N895-W897 PolarHBondContact O-N 3.03Å; W897-F899 HydrophobicContact CB-CD2 4.38Å; W897-F899 HydrophobicContact CB-CE1 4.39Å; W897-F899 HydrophobicContact CB-CE2 3.63Å; W897-F899 HydrophobicContact CB-CZ 4.1Å; W897-F899 VanDerWaalsContact CB-CZ 3.49Å; W897-F899 HydrophobicContact CD2-CZ 4.34Å; W897-F899 HydrophobicContact CE3-CE1 4.32Å; W897-F899 HydrophobicContact CE3-CZ 4.08Å; W897-F899 HydrophobicContact CG-CE2 4.38Å; W897-F899 HydrophobicContact CG-CZ 4.15Å; W897-F899 VanDerWaalsContact O-CD2 3.32Å; W897-F899 WeakPolarHBondContact O-CD2 3.33Å; W897-F899 WeakPolarHBondContact O-CE2 3.35Å; W897-I908 HydrophobicContact CB-CG2 4.33Å; W897-I908 HydrophobicContact CD2-CG2 4.24Å; W897-I908 HydrophobicContact CE3-CG2 3.93Å; W897-I908 HydrophobicContact CZ3-CG2 4.32Å; W897-N910 HydrophobicContact CD2-CB 4.47Å; W897-N910 HydrophobicContact CE3-CB 4.24Å; W897-N910 WeakPolarHBondContact CH2-ND2 3.24Å; W897-N910 WeakPolarHBondContact CZ2-ND2 3.3Å; W897-N910 HydrophobicContact CZ3-CB 4.41Å; W897-N910 VanDerWaalsContact CZ3-ND2 3.35Å; W897-N910 WeakPolarHBondContact CZ3-ND2 3.41Å; W897-A913 HydrophobicContact CH2-CB 4.12Å; W897-A913 HydrophobicContact CZ3-CB 4.12Å; W897-I915 HydrophobicContact CH2-CD1 4.4Å; W897-I915 HydrophobicContact CZ3-CD1 3.91Å; W897-Q918 VanDerWaalsContact CE3-CD 3.5Å; W897-Q918 HydrophobicContact CE3-CG 4.1Å; W897-Q918 VanDerWaalsContact CE3-NE2 3.31Å; W897-Q918 HydrophobicContact CZ3-CG 4.43Å; W897-Q918 VanDerWaalsContact CZ3-OE1 3.32Å; W897-V1119 HydrophobicContact CD2-CG2 3.98Å; W897-V1119 HydrophobicContact CG-CG2 4.08Å; W897-V1119 HydrophobicContact CZ2-CG2 4.12Å; W897-L1141 HydrophobicContact CD2-CB 4.45Å; W897-L1141 HydrophobicContact CD2-CD2 4.26Å; W897-L1141 HydrophobicContact CE3-CD2 4.06Å; W897-L1141 HydrophobicContact CH2-CD2 4.06Å; W897-L1141 HydrophobicContact CZ2-CB 4.23Å; W897-L1141 HydrophobicContact CZ2-CD2 4.3Å; W897-L1141 HydrophobicContact CZ3-CD2 3.94Å; W897-S1142 WeakPolarHBondContact CZ2-O 3.45Å; W897-S1142 PolarHBondContact NE1-O 2.76Å; W897-E1143 HydrophobicContact CZ2-CG 3.71Å; W897-E1143 PolarHBondContact NE1-OE1 3.03Å; W897-E1143 VanDerWaalsContact NE1-OE1 3.11Å; W897-F1149 HydrophobicContact CH2-CD1 4.02Å; W897-L1343 HydrophobicContact CH2-CD1 4.02Å
898H70.3Confident63.5Low35.75 Ų35.7545.6 Ų45.617%0.16625%0.251CS..EExtended strand (participates in β ladder)trans-92129.6174.4-61.1-86.8000109.8L891 Y892 I908 F909 L919 I972L891-H898 HydrophobicContact CD1-CB 4.21Å; Y892-H898 CarbonylContact O-C 3.55Å; Y892-H898 VanDerWaalsContact O-CA 3.29Å; Y892-H898 WeakPolarHBondContact O-CA 3.38Å; H898-I908 CarbonylContact O-C 3.57Å; H898-I908 VanDerWaalsContact O-CA 3.24Å; H898-I908 WeakPolarHBondContact O-CA 3.35Å; H898-F909 WeakPolarHBondContact CA-O 3.41Å; H898-F909 HydrophobicContact CB-CD1 4.06Å; H898-F909 HydrophobicContact CB-CD2 4.27Å; H898-F909 HydrophobicContact CB-CE1 3.71Å; H898-F909 HydrophobicContact CB-CE2 3.94Å; H898-F909 HydrophobicContact CB-CG 4.32Å; H898-F909 HydrophobicContact CB-CZ 3.65Å; H898-F909 WeakPolarHBondContact CB-O 3.31Å; H898-F909 PolarHBondContact N-O 3.2Å; H898-F909 VanDerWaalsContact O-CD1 3.27Å; H898-F909 WeakPolarHBondContact O-CD1 3.22Å; H898-F909 PolarHBondContact O-N 3.28Å; H898-L919 HydrophobicContact CB-CB 4.22Å; H898-L919 HydrophobicContact CB-CD1 4.41Å; H898-L919 PolarHBondContact O-N 2.83Å; H898-I972 HydrophobicContact CB-CD1 4.3Å; H898-I972 VanDerWaalsContact CD2-CD1 3.47Å; H898-I972 WeakPolarHBondContact CD2-CD1 3.17Å
899F71.7Confident65.1Low3.75 Ų3.7543 Ų432%0.01624%0.235CC..EExtended strand (participates in β ladder)trans-114.3123.8178.2-61.4-104000108.8L891 Y892 W894 W897 L906 S907 I908 T916 I917 L929 M964 L981 F1103 V1119 V1121 L1141L891-F899 CarbonylContact C-O 3.53Å; Y892-F899 PolarHBondContact N-O 2.91Å; Y892-F899 PolarHBondContact O-N 3.19Å; W894-F899 HydrophobicContact CB-CD2 4.32Å; W894-F899 HydrophobicContact CB-CE2 3.99Å; W894-F899 AromaticContact CE3-CE2 3.88Å; W894-F899 HydrophobicContact CE3-CE2 4.02Å; W894-F899 AromaticContact CE3-CZ 3.8Å; W894-F899 HydrophobicContact CE3-CZ 3.89Å; W894-F899 HydrophobicContact CZ3-CZ 4.28Å; W897-F899 HydrophobicContact CB-CD2 4.38Å; W897-F899 HydrophobicContact CB-CE1 4.39Å; W897-F899 HydrophobicContact CB-CE2 3.63Å; W897-F899 HydrophobicContact CB-CZ 4.1Å; W897-F899 VanDerWaalsContact CB-CZ 3.49Å; W897-F899 HydrophobicContact CD2-CZ 4.34Å; W897-F899 HydrophobicContact CE3-CE1 4.32Å; W897-F899 HydrophobicContact CE3-CZ 4.08Å; W897-F899 HydrophobicContact CG-CE2 4.38Å; W897-F899 HydrophobicContact CG-CZ 4.15Å; W897-F899 VanDerWaalsContact O-CD2 3.32Å; W897-F899 WeakPolarHBondContact O-CD2 3.33Å; W897-F899 WeakPolarHBondContact O-CE2 3.35Å; F899-L906 HydrophobicContact CB-CD1 4.43Å; F899-L906 HydrophobicContact CD1-CD1 4.34Å; F899-S907 CarbonylContact C-O 3.6Å; F899-S907 WeakPolarHBondContact CA-O 3.3Å; F899-I908 HydrophobicContact CD1-CB 4.45Å; F899-I908 HydrophobicContact CD1-CD1 4.09Å; F899-I908 HydrophobicContact CD1-CG1 3.79Å; F899-I908 HydrophobicContact CD1-CG2 4.09Å; F899-I908 HydrophobicContact CD2-CG2 4.37Å; F899-I908 HydrophobicContact CE1-CB 4.38Å; F899-I908 HydrophobicContact CE1-CD1 3.73Å; F899-I908 HydrophobicContact CE1-CG1 3.87Å; F899-I908 HydrophobicContact CE1-CG2 3.9Å; F899-I908 HydrophobicContact CE2-CG2 4.34Å; F899-I908 HydrophobicContact CG-CG1 4.44Å; F899-I908 HydrophobicContact CG-CG2 4.27Å; F899-I908 HydrophobicContact CZ-CG2 3.98Å; F899-T916 HydrophobicContact CB-CG2 4.34Å; F899-T916 HydrophobicContact CD1-CG2 3.89Å; F899-I917 CarbonylContact C-O 3.52Å; F899-I917 VanDerWaalsContact CA-O 3.25Å; F899-I917 WeakPolarHBondContact CA-O 3.38Å; F899-L929 HydrophobicContact CD1-CD1 3.8Å; F899-L929 HydrophobicContact CE1-CD1 3.49Å; F899-L929 VanDerWaalsContact CE1-CD1 3.49Å; F899-M964 HydrophobicContact CE1-CE 4.47Å; F899-M964 HydrophobicContact CZ-SD 4.45Å; F899-L981 HydrophobicContact CD1-CD2 4.38Å; F899-L981 HydrophobicContact CD2-CD2 3.89Å; F899-L981 HydrophobicContact CE1-CD2 4.11Å; F899-L981 HydrophobicContact CE2-CD2 3.62Å; F899-L981 HydrophobicContact CG-CD2 4.29Å; F899-L981 HydrophobicContact CZ-CD2 3.74Å; F899-F1103 HydrophobicContact CB-CE1 4.44Å; F899-F1103 HydrophobicContact CB-CE2 4.49Å; F899-F1103 HydrophobicContact CB-CZ 4.07Å; F899-F1103 HydrophobicContact CD1-CD2 4.41Å; F899-F1103 AromaticContact CD1-CE2 3.46Å; F899-F1103 HydrophobicContact CD1-CE2 3.96Å; F899-F1103 VanDerWaalsContact CD1-CE2 3.46Å; F899-F1103 AromaticContact CD1-CZ 3.51Å; F899-F1103 HydrophobicContact CD1-CZ 3.93Å; F899-F1103 AromaticContact CE1-CE2 3.7Å; F899-F1103 HydrophobicContact CE1-CE2 3.7Å; F899-F1103 HydrophobicContact CE1-CZ 4.15Å; F899-F1103 HydrophobicContact CG-CE2 4.21Å; F899-F1103 AromaticContact CG-CZ 3.81Å; F899-F1103 HydrophobicContact CG-CZ 3.81Å; F899-V1119 HydrophobicContact CE1-CG1 4.35Å; F899-V1119 HydrophobicContact CZ-CG1 4.06Å; F899-V1121 HydrophobicContact CE1-CG2 4.43Å; F899-L1141 HydrophobicContact CE1-CD1 3.98Å; F899-L1141 HydrophobicContact CZ-CD1 3.65Å
900F71.5Confident66Low29.75 Ų29.7541.5 Ų41.513%0.1322%0.22CC..EExtended strand (participates in β ladder)trans-120.9119.2176.2-177.2-107.7000109.4A889 L891 M902 S907 F909 I917 L968 F1035 L1141A889-F900 HydrophobicContact CB-CE2 4.12Å; A889-F900 HydrophobicContact CB-CZ 3.89Å; A889-F900 WeakPolarHBondContact O-CE2 3.49Å; L891-F900 HydrophobicContact CB-CD2 4.47Å; L891-F900 HydrophobicContact CD1-CB 4.07Å; L891-F900 HydrophobicContact CD1-CD2 4.24Å; F900-M902 HydrophobicContact CD1-CB 4.35Å; F900-M902 HydrophobicContact CD1-CE 3.84Å; F900-M902 HydrophobicContact CD1-CG 3.5Å; F900-M902 HydrophobicContact CD1-SD 4.19Å; F900-M902 HydrophobicContact CE1-CB 3.87Å; F900-M902 HydrophobicContact CE1-CE 3.87Å; F900-M902 HydrophobicContact CE1-CG 4.14Å; F900-M902 HydrophobicContact CE1-SD 4.11Å; F900-M902 HydrophobicContact CZ-CB 4.32Å; F900-M902 HydrophobicContact CZ-SD 4.14Å; F900-S907 PolarHBondContact N-O 3.2Å; F900-S907 WeakPolarHBondContact O-CB 3.35Å; F900-S907 PolarHBondContact O-N 2.93Å; F900-S907 PolarHBondContact O-OG 3.44Å; F900-F909 HydrophobicContact CB-CE1 3.91Å; F900-I917 PolarHBondContact N-O 3.44Å; F900-I917 PolarHBondContact O-N 3.23Å; F900-L968 HydrophobicContact CB-CD2 4.3Å; F900-L968 HydrophobicContact CD1-CD1 4.44Å; F900-L968 HydrophobicContact CD1-CD2 3.76Å; F900-L968 HydrophobicContact CD2-CD2 4.4Å; F900-L968 HydrophobicContact CE1-CD2 4Å; F900-L968 HydrophobicContact CG-CD2 3.97Å; F900-L968 HydrophobicContact CZ-CD2 4.31Å; F900-F1035 HydrophobicContact CZ-CE1 4.47Å; F900-L1141 HydrophobicContact CE1-CD1 4.06Å; F900-L1141 HydrophobicContact CZ-CD1 4.48Å
901C64.7Low66.5Low25.5 Ų25.539.2 Ų39.217%0.17222%0.218CC..EExtended strand (participates in β ladder)trans-103.2120.4-179.5-171.70000110.3L887 Y892 G903 L905 L906 I915 L919 F1103L887-C901 HydrophobicContact CD2-CB 3.66Å; Y892-C901 HydrophobicContact CD2-CB 4.11Å; Y892-C901 HydrophobicContact CE2-CB 3.69Å; C901-G903 PolarHBondContact O-N 3Å; C901-L905 CarbonylContact C-O 3.49Å; C901-L905 WeakPolarHBondContact CA-O 3.26Å; C901-L906 HydrophobicContact CB-CD1 4.39Å; C901-I915 WeakPolarHBondContact CA-O 3.37Å; C901-L919 VanDerWaalsContact SG-CD1 3.59Å; C901-F1103 HydrophobicContact CB-CD1 3.95Å; C901-F1103 HydrophobicContact CB-CE1 4.39Å
902M63Low66.6Low58 Ų5840.9 Ų40.929%0.28622%0.224SC..EExtended strand (participates in β ladder)trans-126.197.5178.2-153.1-172.7130.400110.4F900 Q904 L905 F914 I915 I917 L1039 L1141F900-M902 HydrophobicContact CD1-CB 4.35Å; F900-M902 HydrophobicContact CD1-CE 3.84Å; F900-M902 HydrophobicContact CD1-CG 3.5Å; F900-M902 HydrophobicContact CD1-SD 4.19Å; F900-M902 HydrophobicContact CE1-CB 3.87Å; F900-M902 HydrophobicContact CE1-CE 3.87Å; F900-M902 HydrophobicContact CE1-CG 4.14Å; F900-M902 HydrophobicContact CE1-SD 4.11Å; F900-M902 HydrophobicContact CZ-CB 4.32Å; F900-M902 HydrophobicContact CZ-SD 4.14Å; M902-Q904 PolarHBondContact O-N 3.09Å; M902-L905 HydrophobicContact CB-CB 3.95Å; M902-L905 HydrophobicContact CE-CD1 4.2Å; M902-L905 PolarHBondContact N-O 3.22Å; M902-L905 PolarHBondContact O-N 2.87Å; M902-L905 VanDerWaalsContact O-N 3.15Å; M902-L905 HydrophobicContact SD-CB 3.89Å; M902-L905 HydrophobicContact SD-CD1 3.56Å; M902-L905 VanDerWaalsContact SD-CD1 3.56Å; M902-L905 HydrophobicContact SD-CG 4.33Å; M902-F914 WeakPolarHBondContact O-CA 3.42Å; M902-I915 HydrophobicContact CB-CB 4.4Å; M902-I915 PolarHBondContact N-O 3.01Å; M902-I915 PolarHBondContact O-N 3.48Å; M902-I915 VanDerWaalsContact O-N 3.14Å; M902-I917 HydrophobicContact CE-CD1 4.1Å; M902-L1039 HydrophobicContact CE-CD1 3.81Å; M902-L1039 HydrophobicContact CE-CD2 3.62Å; M902-L1039 HydrophobicContact CE-CG 4.34Å; M902-L1039 HydrophobicContact SD-CD1 3.54Å; M902-L1039 VanDerWaalsContact SD-CD1 3.54Å; M902-L1039 HydrophobicContact SD-CD2 4.46Å; M902-L1141 HydrophobicContact CE-CD1 3.85Å; M902-L1141 HydrophobicContact SD-CD1 4.4Å
903G61.9Low66.5Low32.25 Ų32.2538.9 Ų38.933%0.33222%0.218SC..THydrogen-bonded Turntrans44.1-101.6178.900000111.7C901 L905 L906 S907C901-G903 PolarHBondContact O-N 3Å; G903-L905 VanDerWaalsContact C-N 3.3Å; G903-L905 PolarHBondContact O-N 3.35Å; G903-L906 PolarHBondContact O-N 3.41Å; G903-S907 WeakPolarHBondContact O-CB 3.36Å; G903-S907 PolarHBondContact O-N 2.81Å
904Q63.6Low66.8Low81.75 Ų81.7535.4 Ų35.438%0.38220%0.198SC..THydrogen-bonded Turntrans-84.51.7178.7-70.7-175.5-1400113.9M902 L906 S907 I908 Q918 L919 Q920 R1036M902-Q904 PolarHBondContact O-N 3.09Å; Q904-L906 VanDerWaalsContact C-N 3.35Å; Q904-L906 PolarHBondContact O-N 2.95Å; Q904-S907 WeakPolarHBondContact CA-OG 3.24Å; Q904-S907 PolarHBondContact O-N 3.36Å; Q904-S907 PolarHBondContact O-OG 3.06Å; Q904-I908 WeakPolarHBondContact O-CG1 3.48Å; Q904-Q918 HydrophobicContact CB-CG 4.49Å; Q904-Q918 CarbonylContact O-C 3.48Å; Q904-Q918 WeakPolarHBondContact O-CA 3.3Å; Q904-L919 WeakPolarHBondContact O-CB 3.5Å; Q904-L919 PolarHBondContact O-N 3.07Å; Q904-Q920 HydrophobicContact CG-CB 4.48Å; Q904-R1036 VanDerWaalsContact CB-NH2 3.32Å
905L65.7Low67.3Low48 Ų4833.5 Ų33.525%0.25119%0.192SC..EExtended strand (participates in β ladder)trans-107.2111.4-178.4-83.7165.2000112C901 M902 G903 I908 I915 I917 L919 L929 F1035 L1041C901-L905 CarbonylContact C-O 3.49Å; C901-L905 WeakPolarHBondContact CA-O 3.26Å; M902-L905 HydrophobicContact CB-CB 3.95Å; M902-L905 HydrophobicContact CE-CD1 4.2Å; M902-L905 PolarHBondContact N-O 3.22Å; M902-L905 PolarHBondContact O-N 2.87Å; M902-L905 VanDerWaalsContact O-N 3.15Å; M902-L905 HydrophobicContact SD-CB 3.89Å; M902-L905 HydrophobicContact SD-CD1 3.56Å; M902-L905 VanDerWaalsContact SD-CD1 3.56Å; M902-L905 HydrophobicContact SD-CG 4.33Å; G903-L905 VanDerWaalsContact C-N 3.3Å; G903-L905 PolarHBondContact O-N 3.35Å; L905-I908 WeakPolarHBondContact O-CD1 3.26Å; L905-I915 HydrophobicContact CD2-CD1 3.97Å; L905-I917 WeakPolarHBondContact CA-O 3.41Å; L905-L919 VanDerWaalsContact C-CD1 3.45Å; L905-L919 WeakPolarHBondContact O-CD1 3.31Å; L905-L929 HydrophobicContact CD2-CD1 3.41Å; L905-L929 VanDerWaalsContact CD2-CD1 3.41Å; L905-F1035 HydrophobicContact CD1-CD1 3.56Å; L905-F1035 HydrophobicContact CD1-CE1 4.02Å; L905-L1041 HydrophobicContact CD2-CD1 4.02Å
906L70.9Confident67.9Low8.5 Ų8.530 Ų305%0.04517%0.173CC..EExtended strand (participates in β ladder)trans-10597.5168.5-161.284.5000110F899 C901 G903 Q904 I908 F909 N910 A913 I915 T916 I917 L919 I931 F1103 I1106F899-L906 HydrophobicContact CB-CD1 4.43Å; F899-L906 HydrophobicContact CD1-CD1 4.34Å; C901-L906 HydrophobicContact CB-CD1 4.39Å; G903-L906 PolarHBondContact O-N 3.41Å; Q904-L906 VanDerWaalsContact C-N 3.35Å; Q904-L906 PolarHBondContact O-N 2.95Å; L906-I908 HydrophobicContact CD2-CD1 4.1Å; L906-I908 HydrophobicContact CD2-CG1 4.26Å; L906-I908 HydrophobicContact CG-CD1 4.39Å; L906-I908 HydrophobicContact CG-CG1 4.06Å; L906-I908 PolarHBondContact O-N 2.82Å; L906-F909 PolarHBondContact O-N 3.35Å; L906-N910 PolarHBondContact O-N 3.48Å; L906-A913 HydrophobicContact CB-CB 3.56Å; L906-A913 WeakPolarHBondContact CB-O 3.27Å; L906-A913 HydrophobicContact CD1-CB 4.35Å; L906-I915 HydrophobicContact CD1-CD1 4.09Å; L906-I915 HydrophobicContact CD1-CG1 3.41Å; L906-I915 VanDerWaalsContact CD1-CG1 3.41Å; L906-I915 HydrophobicContact CG-CD1 4.07Å; L906-I915 HydrophobicContact CG-CG1 3.77Å; L906-T916 CarbonylContact O-C 3.48Å; L906-T916 WeakPolarHBondContact O-CA 3.37Å; L906-I917 HydrophobicContact CB-CB 4.5Å; L906-I917 PolarHBondContact N-O 2.81Å; L906-I917 PolarHBondContact O-N 3.16Å; L906-L919 HydrophobicContact CB-CD1 4.21Å; L906-L919 HydrophobicContact CB-CD2 4Å; L906-L919 HydrophobicContact CB-CG 4Å; L906-L919 HydrophobicContact CD2-CD2 3.99Å; L906-L919 HydrophobicContact CG-CD2 4.44Å; L906-I931 HydrophobicContact CD1-CG2 3.78Å; L906-F1103 HydrophobicContact CD1-CB 4.31Å; L906-F1103 HydrophobicContact CD1-CD1 3.98Å; L906-F1103 HydrophobicContact CD1-CD2 4.2Å; L906-F1103 HydrophobicContact CD1-CE1 4.33Å; L906-F1103 HydrophobicContact CD1-CE2 4.38Å; L906-F1103 HydrophobicContact CD1-CG 3.91Å; L906-F1103 HydrophobicContact CD2-CB 4.12Å; L906-F1103 HydrophobicContact CD2-CD2 4.02Å; L906-F1103 HydrophobicContact CD2-CG 4.11Å; L906-I1106 HydrophobicContact CB-CD1 4.08Å; L906-I1106 HydrophobicContact CD2-CB 4.45Å; L906-I1106 HydrophobicContact CD2-CD1 3.92Å; L906-I1106 HydrophobicContact CD2-CG2 4.05Å
907S70.5Confident68.4Low18.25 Ų18.2528.6 Ų28.613%0.12816%0.157CC..EExtended strand (participates in β ladder)trans-85.8115.3170.4-32.10000110.4F899 F900 G903 Q904 F909 N910 I915 T916F899-S907 CarbonylContact C-O 3.6Å; F899-S907 WeakPolarHBondContact CA-O 3.3Å; F900-S907 PolarHBondContact N-O 3.2Å; F900-S907 WeakPolarHBondContact O-CB 3.35Å; F900-S907 PolarHBondContact O-N 2.93Å; F900-S907 PolarHBondContact O-OG 3.44Å; G903-S907 WeakPolarHBondContact O-CB 3.36Å; G903-S907 PolarHBondContact O-N 2.81Å; Q904-S907 WeakPolarHBondContact CA-OG 3.24Å; Q904-S907 PolarHBondContact O-N 3.36Å; Q904-S907 PolarHBondContact O-OG 3.06Å; S907-F909 PolarHBondContact O-N 3.02Å; S907-N910 WeakPolarHBondContact CA-O 3.46Å; S907-I915 CarbonylContact C-O 3.49Å; S907-I915 VanDerWaalsContact CA-O 3.26Å; S907-I915 WeakPolarHBondContact CA-O 3.39Å; S907-T916 WeakPolarHBondContact OG-CG2 3.23Å
908I72Confident68.5Low26.75 Ų26.7529.2 Ų29.214%0.13716%0.161CC..EExtended strand (participates in β ladder)trans-107.8110.9175.1-50.1178.6000108.6W897 H898 F899 Q904 L905 L906 I915 I917 V1121 L1141W897-I908 HydrophobicContact CB-CG2 4.33Å; W897-I908 HydrophobicContact CD2-CG2 4.24Å; W897-I908 HydrophobicContact CE3-CG2 3.93Å; W897-I908 HydrophobicContact CZ3-CG2 4.32Å; H898-I908 CarbonylContact O-C 3.57Å; H898-I908 VanDerWaalsContact O-CA 3.24Å; H898-I908 WeakPolarHBondContact O-CA 3.35Å; F899-I908 HydrophobicContact CD1-CB 4.45Å; F899-I908 HydrophobicContact CD1-CD1 4.09Å; F899-I908 HydrophobicContact CD1-CG1 3.79Å; F899-I908 HydrophobicContact CD1-CG2 4.09Å; F899-I908 HydrophobicContact CD2-CG2 4.37Å; F899-I908 HydrophobicContact CE1-CB 4.38Å; F899-I908 HydrophobicContact CE1-CD1 3.73Å; F899-I908 HydrophobicContact CE1-CG1 3.87Å; F899-I908 HydrophobicContact CE1-CG2 3.9Å; F899-I908 HydrophobicContact CE2-CG2 4.34Å; F899-I908 HydrophobicContact CG-CG1 4.44Å; F899-I908 HydrophobicContact CG-CG2 4.27Å; F899-I908 HydrophobicContact CZ-CG2 3.98Å; Q904-I908 WeakPolarHBondContact O-CG1 3.48Å; L905-I908 WeakPolarHBondContact O-CD1 3.26Å; L906-I908 HydrophobicContact CD2-CD1 4.1Å; L906-I908 HydrophobicContact CD2-CG1 4.26Å; L906-I908 HydrophobicContact CG-CD1 4.39Å; L906-I908 HydrophobicContact CG-CG1 4.06Å; L906-I908 PolarHBondContact O-N 2.82Å; I908-I915 HydrophobicContact CB-CB 4.37Å; I908-I915 PolarHBondContact N-O 3.13Å; I908-I915 WeakPolarHBondContact O-CA 3.37Å; I908-I915 WeakPolarHBondContact O-CB 3.44Å; I908-I915 PolarHBondContact O-N 3.07Å; I908-I917 HydrophobicContact CD1-CD1 3.9Å; I908-V1121 HydrophobicContact CD1-CG1 4.15Å; I908-V1121 HydrophobicContact CD1-CG2 4.11Å; I908-L1141 HydrophobicContact CD1-CD1 4.21Å; I908-L1141 HydrophobicContact CG2-CD1 3.93Å; I908-L1141 HydrophobicContact CG2-CD2 4.42Å
909F70.4Confident68.2Low44.75 Ų44.7528.5 Ų28.520%0.19616%0.159CC..EExtended strand (participates in β ladder)trans-143.9158.5-17147.8-77.7000114.2L891 H898 F900 L906 S907 A913 F914 L968 M969 I972L891-F909 HydrophobicContact CD1-CE1 4.21Å; L891-F909 HydrophobicContact CD1-CZ 3.99Å; H898-F909 WeakPolarHBondContact CA-O 3.41Å; H898-F909 HydrophobicContact CB-CD1 4.06Å; H898-F909 HydrophobicContact CB-CD2 4.27Å; H898-F909 HydrophobicContact CB-CE1 3.71Å; H898-F909 HydrophobicContact CB-CE2 3.94Å; H898-F909 HydrophobicContact CB-CG 4.32Å; H898-F909 HydrophobicContact CB-CZ 3.65Å; H898-F909 WeakPolarHBondContact CB-O 3.31Å; H898-F909 PolarHBondContact N-O 3.2Å; H898-F909 VanDerWaalsContact O-CD1 3.27Å; H898-F909 WeakPolarHBondContact O-CD1 3.22Å; H898-F909 PolarHBondContact O-N 3.28Å; F900-F909 HydrophobicContact CB-CE1 3.91Å; L906-F909 PolarHBondContact O-N 3.35Å; S907-F909 PolarHBondContact O-N 3.02Å; F909-A913 CarbonylContact C-O 3.59Å; F909-A913 VanDerWaalsContact CA-O 3.26Å; F909-A913 WeakPolarHBondContact CA-O 3.35Å; F909-A913 WeakPolarHBondContact CB-O 3.33Å; F909-F914 HydrophobicContact CB-CB 3.98Å; F909-F914 HydrophobicContact CB-CD2 3.49Å; F909-F914 VanDerWaalsContact CB-CD2 3.47Å; F909-F914 HydrophobicContact CB-CE2 4.19Å; F909-F914 HydrophobicContact CB-CG 4.21Å; F909-F914 HydrophobicContact CD1-CD2 4.02Å; F909-F914 AromaticContact CD1-CE2 3.93Å; F909-F914 HydrophobicContact CD1-CE2 3.93Å; F909-F914 HydrophobicContact CD2-CD2 4.49Å; F909-F914 AromaticContact CG-CD2 3.75Å; F909-F914 HydrophobicContact CG-CD2 4.05Å; F909-F914 HydrophobicContact CG-CE2 4.24Å; F909-L968 HydrophobicContact CD1-CD1 4.35Å; F909-L968 HydrophobicContact CD2-CB 4.1Å; F909-L968 HydrophobicContact CE1-CB 4.47Å; F909-L968 HydrophobicContact CE1-CD1 4.17Å; F909-L968 HydrophobicContact CE2-CB 3.74Å; F909-L968 HydrophobicContact CE2-CD1 4.43Å; F909-L968 HydrophobicContact CE2-CG 4.48Å; F909-L968 WeakPolarHBondContact CE2-O 3.48Å; F909-L968 HydrophobicContact CZ-CB 3.88Å; F909-L968 HydrophobicContact CZ-CD1 4.22Å; F909-L968 HydrophobicContact CZ-CD2 4.32Å; F909-L968 HydrophobicContact CZ-CG 4.39Å; F909-M969 HydrophobicContact CD2-CE 3.41Å; F909-M969 VanDerWaalsContact CD2-CE 3.48Å; F909-M969 HydrophobicContact CE2-CE 3.56Å; F909-M969 VanDerWaalsContact CE2-CE 3.46Å; F909-I972 HydrophobicContact CD2-CD1 4.44Å; F909-I972 HydrophobicContact CE2-CD1 3.6Å; F909-I972 VanDerWaalsContact CE2-CD1 3.47Å; F909-I972 HydrophobicContact CE2-CG1 4.31Å; F909-I972 HydrophobicContact CZ-CD1 4.07Å; F909-I972 HydrophobicContact CZ-CG1 4.37Å
910N68Low67.6Low15 Ų1532.1 Ų32.18%0.0818%0.176CC..  trans-149.9172.2172.286.615.1000109.1G896 W897 L906 S907 F912 A913 N933 S934 A935 H965G896-N910 VanDerWaalsContact O-CB 3.3Å; G896-N910 WeakPolarHBondContact O-CB 3.36Å; W897-N910 HydrophobicContact CD2-CB 4.47Å; W897-N910 HydrophobicContact CE3-CB 4.24Å; W897-N910 WeakPolarHBondContact CH2-ND2 3.24Å; W897-N910 WeakPolarHBondContact CZ2-ND2 3.3Å; W897-N910 HydrophobicContact CZ3-CB 4.41Å; W897-N910 VanDerWaalsContact CZ3-ND2 3.35Å; W897-N910 WeakPolarHBondContact CZ3-ND2 3.41Å; L906-N910 PolarHBondContact O-N 3.48Å; S907-N910 WeakPolarHBondContact CA-O 3.46Å; N910-F912 PolarHBondContact O-N 3.06Å; N910-F912 VanDerWaalsContact O-N 3.1Å; N910-F912 WeakPolarHBondContact OD1-CA 3.19Å; N910-F912 PolarHBondContact OD1-N 3.16Å; N910-A913 HydrophobicContact CB-CB 4.15Å; N910-A913 PolarHBondContact N-O 3.18Å; N910-A913 WeakPolarHBondContact O-CB 3.49Å; N910-A913 PolarHBondContact O-N 3Å; N910-A913 VanDerWaalsContact O-O 3.11Å; N910-A913 PolarHBondContact OD1-N 3.01Å; N910-A913 PolarHBondContact OD1-O 2.86Å; N910-N933 PolarHBondContact ND2-OD1 3.23Å; N910-S934 PolarHBondContact ND2-O 2.8Å; N910-A935 PolarHBondContact ND2-N 3.12Å; N910-H965 PolarHBondContact O-CE1 3.02Å; N910-H965 PolarHBondContact O-NE2 3.02Å
911G63.6Low66.8Low32.25 Ų32.2532.5 Ų32.533%0.33218%0.181SC..SBendtrans-62.8-12.7-178.400000115.8S934 L1346 L1347G911-S934 WeakPolarHBondContact O-CB 3.29Å; G911-S934 PolarHBondContact O-OG 3.4Å; G911-L1346 CarbonylContact O-C 3.51Å; G911-L1346 WeakPolarHBondContact O-CA 3.18Å; G911-L1346 WeakPolarHBondContact O-CD2 3.18Å; G911-L1347 PolarHBondContact O-N 2.93Å
912F63.5Low66.2Low79.5 Ų79.539.2 Ų39.235%0.34921%0.21SC..SBendtrans-113.6-14.9-175.9-55.5-80.8000113.7N910 H932 N933 S934 F1145 S1340 G1341 Q1342 L1343 V1345 L1346N910-F912 PolarHBondContact O-N 3.06Å; N910-F912 VanDerWaalsContact O-N 3.1Å; N910-F912 WeakPolarHBondContact OD1-CA 3.19Å; N910-F912 PolarHBondContact OD1-N 3.16Å; F912-H932 VanDerWaalsContact O-CA 3.32Å; F912-H932 WeakPolarHBondContact O-CA 3.48Å; F912-H932 WeakPolarHBondContact O-CB 3.29Å; F912-N933 CarbonylContact O-C 3.51Å; F912-N933 VanDerWaalsContact O-CA 3.24Å; F912-N933 WeakPolarHBondContact O-CA 3.45Å; F912-N933 PolarHBondContact O-N 3.47Å; F912-N933 PolarHBondContact O-OD1 3.24Å; F912-S934 PolarHBondContact O-N 3.45Å; F912-F1145 WeakPolarHBondContact CB-O 3.13Å; F912-F1145 HydrophobicContact CD2-CB 3.65Å; F912-F1145 HydrophobicContact CD2-CD1 4.25Å; F912-F1145 HydrophobicContact CD2-CD2 4.27Å; F912-F1145 HydrophobicContact CD2-CG 4.34Å; F912-F1145 HydrophobicContact CE2-CB 3.6Å; F912-F1145 HydrophobicContact CE2-CD1 4.23Å; F912-F1145 AromaticContact CE2-CD2 4Å; F912-F1145 HydrophobicContact CE2-CD2 4Å; F912-F1145 AromaticContact CE2-CE2 3.89Å; F912-F1145 HydrophobicContact CE2-CE2 3.89Å; F912-F1145 HydrophobicContact CE2-CG 4.13Å; F912-F1145 HydrophobicContact CG-CB 4.35Å; F912-F1145 WeakPolarHBondContact CG-O 3.34Å; F912-F1145 HydrophobicContact CZ-CB 4.26Å; F912-S1340 WeakPolarHBondContact O-CB 3.26Å; F912-S1340 PolarHBondContact O-OG 3.29Å; F912-G1341 CarbonylContact C-O 3.57Å; F912-G1341 WeakPolarHBondContact CA-O 3.39Å; F912-Q1342 HydrophobicContact CD1-CB 4.26Å; F912-Q1342 HydrophobicContact CD1-CG 4.34Å; F912-Q1342 HydrophobicContact CE1-CB 4.27Å; F912-Q1342 HydrophobicContact CE1-CG 4.04Å; F912-L1343 HydrophobicContact CB-CB 3.79Å; F912-L1343 HydrophobicContact CB-CD1 4.33Å; F912-L1343 HydrophobicContact CG-CB 4.38Å; F912-V1345 WeakPolarHBondContact CD1-O 3.41Å; F912-L1346 HydrophobicContact CD1-CD2 4.41Å; F912-L1346 HydrophobicContact CE1-CD2 4.14Å; F912-L1346 HydrophobicContact CE1-CG 4.2Å; F912-L1346 HydrophobicContact CZ-CD2 4.19Å
913A66.6Low65.7Low7 Ų741.4 Ų41.46%0.05822%0.223CC..EExtended strand (participates in β ladder)trans-132.3141-175.500000112W897 L906 F909 N910 I931 H932 F1149 S1340 L1343W897-A913 HydrophobicContact CH2-CB 4.12Å; W897-A913 HydrophobicContact CZ3-CB 4.12Å; L906-A913 HydrophobicContact CB-CB 3.56Å; L906-A913 WeakPolarHBondContact CB-O 3.27Å; L906-A913 HydrophobicContact CD1-CB 4.35Å; F909-A913 CarbonylContact C-O 3.59Å; F909-A913 VanDerWaalsContact CA-O 3.26Å; F909-A913 WeakPolarHBondContact CA-O 3.35Å; F909-A913 WeakPolarHBondContact CB-O 3.33Å; N910-A913 HydrophobicContact CB-CB 4.15Å; N910-A913 PolarHBondContact N-O 3.18Å; N910-A913 WeakPolarHBondContact O-CB 3.49Å; N910-A913 PolarHBondContact O-N 3Å; N910-A913 VanDerWaalsContact O-O 3.11Å; N910-A913 PolarHBondContact OD1-N 3.01Å; N910-A913 PolarHBondContact OD1-O 2.86Å; A913-I931 WeakPolarHBondContact CA-O 3.38Å; A913-H932 CarbonylContact C-O 3.51Å; A913-H932 VanDerWaalsContact CA-O 3.3Å; A913-H932 WeakPolarHBondContact CA-O 3.28Å; A913-H932 HydrophobicContact CB-CB 3.67Å; A913-H932 WeakPolarHBondContact CB-O 3.4Å; A913-F1149 HydrophobicContact CB-CD1 4.43Å; A913-F1149 HydrophobicContact CB-CE1 3.91Å; A913-S1340 WeakPolarHBondContact CA-OG 3.22Å; A913-S1340 WeakPolarHBondContact CB-OG 3.01Å; A913-L1343 HydrophobicContact CB-CD1 3.63Å; A913-L1343 HydrophobicContact CB-CD2 4.43Å
914F72.2Confident65.2Low5.75 Ų5.7541.4 Ų41.43%0.02522%0.222CC..EExtended strand (participates in β ladder)trans-139.3131.2177159.1-92.3000110.7M902 F909 T916 C930 I931 H932 M961 M964 H965 L968 M969 L1343 L1347M902-F914 WeakPolarHBondContact O-CA 3.42Å; F909-F914 HydrophobicContact CB-CB 3.98Å; F909-F914 HydrophobicContact CB-CD2 3.49Å; F909-F914 VanDerWaalsContact CB-CD2 3.47Å; F909-F914 HydrophobicContact CB-CE2 4.19Å; F909-F914 HydrophobicContact CB-CG 4.21Å; F909-F914 HydrophobicContact CD1-CD2 4.02Å; F909-F914 AromaticContact CD1-CE2 3.93Å; F909-F914 HydrophobicContact CD1-CE2 3.93Å; F909-F914 HydrophobicContact CD2-CD2 4.49Å; F909-F914 AromaticContact CG-CD2 3.75Å; F909-F914 HydrophobicContact CG-CD2 4.05Å; F909-F914 HydrophobicContact CG-CE2 4.24Å; F914-T916 HydrophobicContact CD1-CG2 4.48Å; F914-T916 HydrophobicContact CE1-CG2 3.62Å; F914-T916 HydrophobicContact CE2-CG2 4.32Å; F914-T916 HydrophobicContact CZ-CG2 3.58Å; F914-T916 VanDerWaalsContact CZ-CG2 3.42Å; F914-C930 CarbonylContact O-C 3.6Å; F914-C930 VanDerWaalsContact O-CA 3.26Å; F914-C930 WeakPolarHBondContact O-CA 3.34Å; F914-I931 HydrophobicContact CB-CD1 4.48Å; F914-I931 HydrophobicContact CB-CG2 3.74Å; F914-I931 HydrophobicContact CD1-CD1 4.31Å; F914-I931 HydrophobicContact CD1-CG1 4.45Å; F914-I931 HydrophobicContact CD1-CG2 3.94Å; F914-I931 HydrophobicContact CG-CG2 4.34Å; F914-I931 PolarHBondContact N-O 2.68Å; F914-I931 CarbonylContact O-C 3.59Å; F914-I931 VanDerWaalsContact O-CA 3.32Å; F914-I931 WeakPolarHBondContact O-CA 3.11Å; F914-I931 PolarHBondContact O-N 3.26Å; F914-H932 WeakPolarHBondContact CB-CE1 3.49Å; F914-H932 WeakPolarHBondContact CB-NE2 3.28Å; F914-H932 HydrophobicContact CD1-CB 3.91Å; F914-H932 HydrophobicContact CE1-CB 3.7Å; F914-H932 AromaticContact CE1-CG 3.84Å; F914-H932 HydrophobicContact CE2-CB 4.33Å; F914-H932 AromaticContact CE2-CD2 3.38Å; F914-H932 WeakPolarHBondContact CE2-CD2 3.41Å; F914-H932 AromaticContact CE2-CG 3.98Å; F914-H932 HydrophobicContact CG-CB 4.32Å; F914-H932 AromaticContact CG-NE2 3.95Å; F914-H932 HydrophobicContact CZ-CB 3.92Å; F914-H932 AromaticContact CZ-CD2 3.37Å; F914-H932 WeakPolarHBondContact CZ-CD2 3.42Å; F914-H932 AromaticContact CZ-CG 3.56Å; F914-H932 AromaticContact CZ-NE2 3.99Å; F914-H932 PolarHBondContact N-O 3Å; F914-H932 VanDerWaalsContact N-O 3.11Å; F914-H932 PolarHBondContact O-N 3.1Å; F914-M961 HydrophobicContact CD1-CB 4.34Å; F914-M961 HydrophobicContact CD1-CE 3.89Å; F914-M961 HydrophobicContact CE1-CB 4.34Å; F914-M961 HydrophobicContact CE1-CE 3.75Å; F914-M961 VanDerWaalsContact CE1-CE 3.44Å; F914-M961 HydrophobicContact CE1-CG 4.4Å; F914-M961 HydrophobicContact CZ-CE 4.34Å; F914-M964 HydrophobicContact CE1-CB 4.49Å; F914-M964 HydrophobicContact CE1-CE 3.55Å; F914-M964 HydrophobicContact CE1-CG 4.4Å; F914-M964 HydrophobicContact CE1-SD 4.38Å; F914-M964 HydrophobicContact CZ-CB 4.3Å; F914-M964 HydrophobicContact CZ-CE 3.55Å; F914-M964 HydrophobicContact CZ-CG 3.95Å; F914-M964 HydrophobicContact CZ-SD 4Å; F914-H965 HydrophobicContact CB-CB 4.23Å; F914-H965 HydrophobicContact CD1-CB 4.08Å; F914-H965 HydrophobicContact CD2-CB 3.99Å; F914-H965 AromaticContact CD2-CD2 3.9Å; F914-H965 AromaticContact CD2-ND1 3.74Å; F914-H965 HydrophobicContact CE2-CB 4.43Å; F914-H965 HydrophobicContact CG-CB 4.01Å; F914-L968 HydrophobicContact CE2-CD1 3.67Å; F914-L968 HydrophobicContact CZ-CD1 4.3Å; F914-M969 HydrophobicContact CE1-CE 4.39Å; F914-M969 HydrophobicContact CZ-CE 4.29Å; F914-L1343 HydrophobicContact CB-CD1 4.08Å; F914-L1347 HydrophobicContact CB-CD1 3.9Å
915I73.8Confident64.8Low7.25 Ų7.2538 Ų384%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-125.1136.2-176.2-51.3178.2000109.1W897 C901 M902 L905 L906 S907 I908 I917 V928 C930 I931 L1139 L1141 F1149W897-I915 HydrophobicContact CH2-CD1 4.4Å; W897-I915 HydrophobicContact CZ3-CD1 3.91Å; C901-I915 WeakPolarHBondContact CA-O 3.37Å; M902-I915 HydrophobicContact CB-CB 4.4Å; M902-I915 PolarHBondContact N-O 3.01Å; M902-I915 PolarHBondContact O-N 3.48Å; M902-I915 VanDerWaalsContact O-N 3.14Å; L905-I915 HydrophobicContact CD2-CD1 3.97Å; L906-I915 HydrophobicContact CD1-CD1 4.09Å; L906-I915 HydrophobicContact CD1-CG1 3.41Å; L906-I915 VanDerWaalsContact CD1-CG1 3.41Å; L906-I915 HydrophobicContact CG-CD1 4.07Å; L906-I915 HydrophobicContact CG-CG1 3.77Å; S907-I915 CarbonylContact C-O 3.49Å; S907-I915 VanDerWaalsContact CA-O 3.26Å; S907-I915 WeakPolarHBondContact CA-O 3.39Å; I908-I915 HydrophobicContact CB-CB 4.37Å; I908-I915 PolarHBondContact N-O 3.13Å; I908-I915 WeakPolarHBondContact O-CA 3.37Å; I908-I915 WeakPolarHBondContact O-CB 3.44Å; I908-I915 PolarHBondContact O-N 3.07Å; I915-I917 HydrophobicContact CG2-CD1 4.35Å; I915-I917 HydrophobicContact CG2-CG1 3.96Å; I915-V928 HydrophobicContact CG2-CG1 3.62Å; I915-C930 WeakPolarHBondContact CA-O 3.25Å; I915-C930 HydrophobicContact CB-CB 4.2Å; I915-C930 HydrophobicContact CG1-CB 4.03Å; I915-C930 HydrophobicContact CG2-CB 4.14Å; I915-I931 HydrophobicContact CB-CG1 4.44Å; I915-I931 HydrophobicContact CG1-CG1 4.23Å; I915-I931 HydrophobicContact CG1-CG2 4.46Å; I915-I931 HydrophobicContact CG2-CG1 4.14Å; I915-L1139 HydrophobicContact CD1-CD2 4.43Å; I915-L1139 HydrophobicContact CG2-CD2 4.02Å; I915-L1141 HydrophobicContact CD1-CB 4.48Å; I915-L1141 HydrophobicContact CD1-CD1 3.29Å; I915-L1141 HydrophobicContact CD1-CD2 3.49Å; I915-L1141 VanDerWaalsContact CD1-CD2 3.41Å; I915-L1141 HydrophobicContact CD1-CG 3.86Å; I915-F1149 HydrophobicContact CD1-CB 3.86Å; I915-F1149 HydrophobicContact CD1-CD1 3.61Å; I915-F1149 VanDerWaalsContact CD1-CD1 3.43Å; I915-F1149 HydrophobicContact CD1-CD2 4.17Å; I915-F1149 HydrophobicContact CD1-CE1 3.88Å; I915-F1149 HydrophobicContact CD1-CE2 4.09Å; I915-F1149 HydrophobicContact CD1-CG 3.76Å; I915-F1149 HydrophobicContact CD1-CZ 3.89Å; I915-F1149 HydrophobicContact CG1-CD1 4.02Å; I915-F1149 HydrophobicContact CG1-CE1 4.19Å; I915-F1149 HydrophobicContact CG1-CZ 4.11Å
916T72.8Confident64.6Low8 Ų836.5 Ų36.55%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-120.1128.5170.928.80000110.6F899 L906 S907 F914 V928 L929 C930 M961 M964F899-T916 HydrophobicContact CB-CG2 4.34Å; F899-T916 HydrophobicContact CD1-CG2 3.89Å; L906-T916 CarbonylContact O-C 3.48Å; L906-T916 WeakPolarHBondContact O-CA 3.37Å; S907-T916 WeakPolarHBondContact OG-CG2 3.23Å; F914-T916 HydrophobicContact CD1-CG2 4.48Å; F914-T916 HydrophobicContact CE1-CG2 3.62Å; F914-T916 HydrophobicContact CE2-CG2 4.32Å; F914-T916 HydrophobicContact CZ-CG2 3.58Å; F914-T916 VanDerWaalsContact CZ-CG2 3.42Å; T916-V928 CarbonylContact O-C 3.56Å; T916-V928 WeakPolarHBondContact O-CA 3.36Å; T916-V928 WeakPolarHBondContact O-CG1 3.36Å; T916-L929 PolarHBondContact N-O 3.34Å; T916-L929 PolarHBondContact O-N 3.29Å; T916-L929 WeakPolarHBondContact OG1-CB 3.39Å; T916-L929 PolarHBondContact OG1-O 3.36Å; T916-C930 PolarHBondContact N-O 3.3Å; T916-C930 VanDerWaalsContact N-O 3.09Å; T916-C930 PolarHBondContact OG1-N 3.31Å; T916-C930 PolarHBondContact OG1-SG 3.4Å; T916-M961 HydrophobicContact CG2-CE 4.11Å; T916-M961 WeakPolarHBondContact OG1-CE 3.27Å; T916-M964 HydrophobicContact CG2-CE 4.31Å
917I73Confident64.4Low6.25 Ų6.2540.2 Ų40.23%0.03222%0.215CC..EExtended strand (participates in β ladder)trans-122.5133.2-175.8-47.1179.2000109.5F899 F900 M902 L905 L906 I908 I915 L919 L926 R927 V928 I1106 V1121 L1139F899-I917 CarbonylContact C-O 3.52Å; F899-I917 VanDerWaalsContact CA-O 3.25Å; F899-I917 WeakPolarHBondContact CA-O 3.38Å; F900-I917 PolarHBondContact N-O 3.44Å; F900-I917 PolarHBondContact O-N 3.23Å; M902-I917 HydrophobicContact CE-CD1 4.1Å; L905-I917 WeakPolarHBondContact CA-O 3.41Å; L906-I917 HydrophobicContact CB-CB 4.5Å; L906-I917 PolarHBondContact N-O 2.81Å; L906-I917 PolarHBondContact O-N 3.16Å; I908-I917 HydrophobicContact CD1-CD1 3.9Å; I915-I917 HydrophobicContact CG2-CD1 4.35Å; I915-I917 HydrophobicContact CG2-CG1 3.96Å; I917-L919 PolarHBondContact O-N 3.46Å; I917-L926 HydrophobicContact CG2-CB 3.97Å; I917-L926 HydrophobicContact CG2-CD1 3.74Å; I917-L926 HydrophobicContact CG2-CD2 4.19Å; I917-L926 HydrophobicContact CG2-CG 4.46Å; I917-R927 WeakPolarHBondContact CA-O 3.43Å; I917-R927 WeakPolarHBondContact CG2-O 3.45Å; I917-V928 HydrophobicContact CD1-CG2 4.27Å; I917-V928 HydrophobicContact CG1-CB 4.46Å; I917-V928 HydrophobicContact CG1-CG1 4.25Å; I917-V928 HydrophobicContact CG1-CG2 4.24Å; I917-V928 HydrophobicContact CG2-CG2 4.11Å; I917-I1106 HydrophobicContact CB-CD1 4.08Å; I917-I1106 HydrophobicContact CG2-CD1 3.5Å; I917-I1106 VanDerWaalsContact CG2-CD1 3.41Å; I917-I1106 HydrophobicContact CG2-CG1 4.42Å; I917-V1121 HydrophobicContact CD1-CB 4.46Å; I917-V1121 HydrophobicContact CD1-CG1 3.82Å; I917-V1121 HydrophobicContact CD1-CG2 4.42Å; I917-L1139 HydrophobicContact CD1-CD1 4.35Å; I917-L1139 HydrophobicContact CD1-CD2 3.97Å
918Q69.6Low64.4Low38.5 Ų38.540 Ų4018%0.1821%0.213CC..EExtended strand (participates in β ladder)trans-80.4121.8172.9-177.2176.5-4.300110.5W897 Q904 Q920 P921 L926 R927 L929W897-Q918 VanDerWaalsContact CE3-CD 3.5Å; W897-Q918 HydrophobicContact CE3-CG 4.1Å; W897-Q918 VanDerWaalsContact CE3-NE2 3.31Å; W897-Q918 HydrophobicContact CZ3-CG 4.43Å; W897-Q918 VanDerWaalsContact CZ3-OE1 3.32Å; Q904-Q918 HydrophobicContact CB-CG 4.49Å; Q904-Q918 CarbonylContact O-C 3.48Å; Q904-Q918 WeakPolarHBondContact O-CA 3.3Å; Q918-Q920 VanDerWaalsContact C-N 3.29Å; Q918-Q920 HydrophobicContact CG-CG 4.43Å; Q918-Q920 PolarHBondContact NE2-O 3.24Å; Q918-Q920 PolarHBondContact O-N 3.07Å; Q918-P921 WeakPolarHBondContact O-CD 3.48Å; Q918-L926 CarbonylContact O-C 3.6Å; Q918-L926 WeakPolarHBondContact O-CA 3.46Å; Q918-R927 HydrophobicContact CB-CB 4.24Å; Q918-R927 PolarHBondContact N-O 3.01Å; Q918-R927 VanDerWaalsContact N-O 3.07Å; Q918-R927 PolarHBondContact O-N 3.01Å; Q918-L929 HydrophobicContact CB-CD1 3.85Å; Q918-L929 HydrophobicContact CB-CD2 4.3Å; Q918-L929 HydrophobicContact CB-CG 3.89Å
919L62.8Low64.2Low21 Ų2140.1 Ų40.111%0.1121%0.214CC..SBendtrans-77.261.4172.8-73149000112.2H898 C901 Q904 L905 L906 I917 L926 F1103 S1105 I1106H898-L919 HydrophobicContact CB-CB 4.22Å; H898-L919 HydrophobicContact CB-CD1 4.41Å; H898-L919 PolarHBondContact O-N 2.83Å; C901-L919 VanDerWaalsContact SG-CD1 3.59Å; Q904-L919 WeakPolarHBondContact O-CB 3.5Å; Q904-L919 PolarHBondContact O-N 3.07Å; L905-L919 VanDerWaalsContact C-CD1 3.45Å; L905-L919 WeakPolarHBondContact O-CD1 3.31Å; L906-L919 HydrophobicContact CB-CD1 4.21Å; L906-L919 HydrophobicContact CB-CD2 4Å; L906-L919 HydrophobicContact CB-CG 4Å; L906-L919 HydrophobicContact CD2-CD2 3.99Å; L906-L919 HydrophobicContact CG-CD2 4.44Å; I917-L919 PolarHBondContact O-N 3.46Å; L919-L926 HydrophobicContact CB-CD2 4.5Å; L919-L926 HydrophobicContact CD1-CD2 3.45Å; L919-L926 VanDerWaalsContact CD1-CD2 3.45Å; L919-L926 HydrophobicContact CG-CD2 3.57Å; L919-F1103 HydrophobicContact CD2-CB 3.98Å; L919-F1103 WeakPolarHBondContact CD2-O 3.4Å; L919-S1105 WeakPolarHBondContact O-CB 3.33Å; L919-S1105 PolarHBondContact O-N 3.35Å; L919-S1105 PolarHBondContact O-OG 3.13Å; L919-I1106 HydrophobicContact CD2-CB 4.28Å; L919-I1106 HydrophobicContact CD2-CD1 3.92Å; L919-I1106 HydrophobicContact CD2-CG1 4.23Å; L919-I1106 HydrophobicContact CG-CD1 4.22Å
920Q58.3Low64.1Low81 Ų8138.4 Ų38.438%0.37921%0.207SC..  trans-129.782.6174.9-70.2-178.8-40.500111.6Q904 Q918 E922 D923 G924 G925 F1035Q904-Q920 HydrophobicContact CG-CB 4.48Å; Q918-Q920 VanDerWaalsContact C-N 3.29Å; Q918-Q920 HydrophobicContact CG-CG 4.43Å; Q918-Q920 PolarHBondContact NE2-O 3.24Å; Q918-Q920 PolarHBondContact O-N 3.07Å; Q920-E922 PolarHBondContact O-N 2.61Å; Q920-D923 HydrophobicContact CB-CB 4.41Å; Q920-D923 PolarHBondContact OE1-OD2 3.19Å; Q920-D923 VanDerWaalsContact OE1-OD2 3.12Å; Q920-G924 PolarHBondContact O-N 3.12Å; Q920-G924 VanDerWaalsContact O-N 3.15Å; Q920-G925 PolarHBondContact N-O 3.27Å; Q920-F1035 VanDerWaalsContact NE2-CE2 3.27Å
921P55Low64.1Low36.25 Ų36.2538.4 Ų38.424%0.23521%0.207CC..  trans-75.6113.5166.318.2-12.1000110.5Q918 D923 G924 G925 R927Q918-P921 WeakPolarHBondContact O-CD 3.48Å; P921-D923 PolarHBondContact O-N 3.09Å; P921-G924 PolarHBondContact O-N 3.06Å; P921-G924 VanDerWaalsContact O-N 3.09Å; P921-G925 VanDerWaalsContact CB-O 3.3Å; P921-G925 WeakPolarHBondContact CB-O 3.46Å; P921-G925 VanDerWaalsContact CG-O 3.24Å; P921-G925 WeakPolarHBondContact CG-O 3.4Å; P921-R927 HydrophobicContact CB-CG 4.19Å
922E51.8Low64.1Low166.25 Ų166.2538.1 Ų38.178%0.77720%0.197SC*.THydrogen-bonded Turntrans-65.9-30.9-176.8-61.9-171.8172.300112.8Q920 G924 P1045Q920-E922 PolarHBondContact O-N 2.61Å; E922-G924 VanDerWaalsContact C-N 3.29Å; E922-G924 PolarHBondContact O-N 2.89Å; E922-P1045 HydrophobicContact CB-CG 3.86Å; E922-P1045 HydrophobicContact CG-CG 4.35Å; E922-P1045 VanDerWaalsContact OE2-CD 3.31Å; E922-P1045 WeakPolarHBondContact OE2-CD 3.25Å; E922-P1045 WeakPolarHBondContact OE2-CG 3.44Å
923D52.5Low64Low105.5 Ų105.536.7 Ų36.756%0.56419%0.193SC*.THydrogen-bonded Turntrans-85.3-4.6179.4-40.7-58.7000113.6Q920 P921 G925 R927Q920-D923 HydrophobicContact CB-CB 4.41Å; Q920-D923 PolarHBondContact OE1-OD2 3.19Å; Q920-D923 VanDerWaalsContact OE1-OD2 3.12Å; P921-D923 PolarHBondContact O-N 3.09Å; D923-G925 PolarHBondContact O-N 3.02Å; D923-R927 IonicContact OD2-CZ 3.19Å; D923-R927 IonicContact OD2-NE 3.77Å; D923-R927 IonicContact OD2-NH2 3.42Å; D923-R927 PolarHBondContact OD2-NH2 3.3Å
924G52Low63.3Low31 Ų3138.5 Ų38.532%0.3221%0.206SC..  trans69-0.4-174.400000115.7Q920 P921 E922 P1123Q920-G924 PolarHBondContact O-N 3.12Å; Q920-G924 VanDerWaalsContact O-N 3.15Å; P921-G924 PolarHBondContact O-N 3.06Å; P921-G924 VanDerWaalsContact O-N 3.09Å; E922-G924 VanDerWaalsContact C-N 3.29Å; E922-G924 PolarHBondContact O-N 2.89Å; G924-P1123 VanDerWaalsContact O-CB 3.27Å; G924-P1123 WeakPolarHBondContact O-CB 3.46Å
925G54.7Low62.1Low11.25 Ų11.2541.7 Ų41.712%0.11623%0.233CC..  trans-87.7147.4-178.300000114.2Q920 P921 D923 R927 P947Q920-G925 PolarHBondContact N-O 3.27Å; P921-G925 VanDerWaalsContact CB-O 3.3Å; P921-G925 WeakPolarHBondContact CB-O 3.46Å; P921-G925 VanDerWaalsContact CG-O 3.24Å; P921-G925 WeakPolarHBondContact CG-O 3.4Å; D923-G925 PolarHBondContact O-N 3.02Å; G925-R927 PolarHBondContact O-N 3.36Å; G925-P947 VanDerWaalsContact CA-CG 3.47Å
926L63.1Low60.7Low16.75 Ų16.7547.9 Ų47.99%0.08826%0.261CS..  trans-77.2112.5178.1-88.8148.1000111.4I917 Q918 L919 V928 I1106 C1108 V1119 P1123 E1137 L1139I917-L926 HydrophobicContact CG2-CB 3.97Å; I917-L926 HydrophobicContact CG2-CD1 3.74Å; I917-L926 HydrophobicContact CG2-CD2 4.19Å; I917-L926 HydrophobicContact CG2-CG 4.46Å; Q918-L926 CarbonylContact O-C 3.6Å; Q918-L926 WeakPolarHBondContact O-CA 3.46Å; L919-L926 HydrophobicContact CB-CD2 4.5Å; L919-L926 HydrophobicContact CD1-CD2 3.45Å; L919-L926 VanDerWaalsContact CD1-CD2 3.45Å; L919-L926 HydrophobicContact CG-CD2 3.57Å; L926-V928 HydrophobicContact CB-CG2 4.39Å; L926-V928 HydrophobicContact CD1-CG2 4.44Å; L926-V928 HydrophobicContact CD2-CG2 4.08Å; L926-V928 HydrophobicContact CG-CG2 3.75Å; L926-V928 PolarHBondContact O-N 2.91Å; L926-I1106 HydrophobicContact CD2-CD1 3.98Å; L926-I1106 HydrophobicContact CD2-CG1 4.37Å; L926-C1108 HydrophobicContact CB-CB 3.85Å; L926-C1108 HydrophobicContact CD1-CB 3.8Å; L926-C1108 HydrophobicContact CG-CB 4.13Å; L926-V1119 HydrophobicContact CD1-CG1 4.27Å; L926-P1123 HydrophobicContact CB-CG 4.16Å; L926-P1123 HydrophobicContact CG-CG 4.38Å; L926-E1137 HydrophobicContact CB-CB 4.41Å; L926-E1137 HydrophobicContact CD1-CB 4.21Å; L926-E1137 HydrophobicContact CG-CB 4.43Å; L926-E1137 PolarHBondContact N-OE2 2.92Å; L926-L1139 HydrophobicContact CB-CD1 4.43Å; L926-L1139 HydrophobicContact CD1-CD1 4.13Å; L926-L1139 HydrophobicContact CD1-CG 4.12Å; L926-L1139 HydrophobicContact CD2-CB 3.86Å
927R66.7Low59.3Low85.25 Ų85.2555.6 Ų55.632%0.32229%0.29SS..  trans-101.2114.2171.7-62.2-176.6-173.3-147.82.9109.8I917 Q918 P921 D923 G925 L929 L945 H946 P947I917-R927 WeakPolarHBondContact CA-O 3.43Å; I917-R927 WeakPolarHBondContact CG2-O 3.45Å; Q918-R927 HydrophobicContact CB-CB 4.24Å; Q918-R927 PolarHBondContact N-O 3.01Å; Q918-R927 VanDerWaalsContact N-O 3.07Å; Q918-R927 PolarHBondContact O-N 3.01Å; P921-R927 HydrophobicContact CB-CG 4.19Å; D923-R927 IonicContact OD2-CZ 3.19Å; D923-R927 IonicContact OD2-NE 3.77Å; D923-R927 IonicContact OD2-NH2 3.42Å; D923-R927 PolarHBondContact OD2-NH2 3.3Å; G925-R927 PolarHBondContact O-N 3.36Å; R927-L929 PolarHBondContact O-N 2.67Å; R927-L945 WeakPolarHBondContact CA-O 3.36Å; R927-H946 PolarHBondContact NH1-CD2 3.01Å; R927-P947 HydrophobicContact CG-CG 4.23Å
928V69Low58Low15.75 Ų15.7560.7 Ų60.710%0.09532%0.317CS..EExtended strand (participates in β ladder)trans-104.1135.8179-174.10000109.6I915 T916 I917 L926 C930 I931 Q944 L945 L1139I915-V928 HydrophobicContact CG2-CG1 3.62Å; T916-V928 CarbonylContact O-C 3.56Å; T916-V928 WeakPolarHBondContact O-CA 3.36Å; T916-V928 WeakPolarHBondContact O-CG1 3.36Å; I917-V928 HydrophobicContact CD1-CG2 4.27Å; I917-V928 HydrophobicContact CG1-CB 4.46Å; I917-V928 HydrophobicContact CG1-CG1 4.25Å; I917-V928 HydrophobicContact CG1-CG2 4.24Å; I917-V928 HydrophobicContact CG2-CG2 4.11Å; L926-V928 HydrophobicContact CB-CG2 4.39Å; L926-V928 HydrophobicContact CD1-CG2 4.44Å; L926-V928 HydrophobicContact CD2-CG2 4.08Å; L926-V928 HydrophobicContact CG-CG2 3.75Å; L926-V928 PolarHBondContact O-N 2.91Å; V928-C930 HydrophobicContact CG1-CB 4.32Å; V928-I931 HydrophobicContact CG1-CD1 4.24Å; V928-I931 HydrophobicContact CG1-CG1 4Å; V928-Q944 CarbonylContact O-C 3.53Å; V928-Q944 WeakPolarHBondContact O-CA 3.4Å; V928-L945 HydrophobicContact CB-CB 4.07Å; V928-L945 HydrophobicContact CB-CD1 4.19Å; V928-L945 HydrophobicContact CB-CG 4.43Å; V928-L945 HydrophobicContact CG1-CD1 4.32Å; V928-L945 HydrophobicContact CG2-CB 4.49Å; V928-L945 HydrophobicContact CG2-CD1 4.27Å; V928-L945 PolarHBondContact N-O 3.27Å; V928-L945 PolarHBondContact O-N 3.05Å; V928-L1139 HydrophobicContact CG2-CD1 3.53Å; V928-L1139 VanDerWaalsContact CG2-CD1 3.42Å; V928-L1139 HydrophobicContact CG2-CD2 4.24Å; V928-L1139 HydrophobicContact CG2-CG 4.46Å
929L68.4Low57.2Low27.75 Ų27.7563.5 Ų63.515%0.14533%0.333CS..EExtended strand (participates in β ladder)trans-111.138.9176.9-127.5121.9000110.5F899 L905 T916 Q918 R927 P942 Q944 R954 L957 M961 L1039F899-L929 HydrophobicContact CD1-CD1 3.8Å; F899-L929 HydrophobicContact CE1-CD1 3.49Å; F899-L929 VanDerWaalsContact CE1-CD1 3.49Å; L905-L929 HydrophobicContact CD2-CD1 3.41Å; L905-L929 VanDerWaalsContact CD2-CD1 3.41Å; T916-L929 PolarHBondContact N-O 3.34Å; T916-L929 PolarHBondContact O-N 3.29Å; T916-L929 WeakPolarHBondContact OG1-CB 3.39Å; T916-L929 PolarHBondContact OG1-O 3.36Å; Q918-L929 HydrophobicContact CB-CD1 3.85Å; Q918-L929 HydrophobicContact CB-CD2 4.3Å; Q918-L929 HydrophobicContact CB-CG 3.89Å; R927-L929 PolarHBondContact O-N 2.67Å; L929-P942 HydrophobicContact CD1-CB 4.23Å; L929-Q944 HydrophobicContact CB-CG 4.47Å; L929-Q944 HydrophobicContact CD1-CB 3.99Å; L929-Q944 HydrophobicContact CD1-CG 4.43Å; L929-R954 HydrophobicContact CD1-CB 4.2Å; L929-R954 HydrophobicContact CD1-CG 4.36Å; L929-L957 HydrophobicContact CD1-CD1 4.2Å; L929-L957 HydrophobicContact CD2-CD1 3.95Å; L929-L957 WeakPolarHBondContact O-CD2 3.11Å; L929-M961 HydrophobicContact CB-CE 4.32Å; L929-M961 HydrophobicContact CD1-CE 4.37Å; L929-M961 HydrophobicContact CD1-SD 3.91Å; L929-M961 HydrophobicContact CD2-CE 4.2Å; L929-M961 HydrophobicContact CD2-CG 4.41Å; L929-M961 HydrophobicContact CD2-SD 3.63Å; L929-M961 HydrophobicContact CG-CE 3.77Å; L929-M961 HydrophobicContact CG-SD 3.55Å; L929-M961 WeakPolarHBondContact CG-SD 3.49Å; L929-M961 WeakPolarHBondContact O-CE 3.48Å; L929-L1039 HydrophobicContact CD2-CD1 4.44Å; L929-L1039 HydrophobicContact CD2-CD2 4.25Å
930C68.2Low56.7Low8.25 Ų8.2563.6 Ų63.66%0.05634%0.335CS..EExtended strand (participates in β ladder)trans-146.1150.9-179.177.80000111.6F914 I915 T916 V928 H932 P942 I943 L957 M961 F1149F914-C930 CarbonylContact O-C 3.6Å; F914-C930 VanDerWaalsContact O-CA 3.26Å; F914-C930 WeakPolarHBondContact O-CA 3.34Å; I915-C930 WeakPolarHBondContact CA-O 3.25Å; I915-C930 HydrophobicContact CB-CB 4.2Å; I915-C930 HydrophobicContact CG1-CB 4.03Å; I915-C930 HydrophobicContact CG2-CB 4.14Å; T916-C930 PolarHBondContact N-O 3.3Å; T916-C930 VanDerWaalsContact N-O 3.09Å; T916-C930 PolarHBondContact OG1-N 3.31Å; T916-C930 PolarHBondContact OG1-SG 3.4Å; V928-C930 HydrophobicContact CG1-CB 4.32Å; C930-H932 VanDerWaalsContact SG-CD2 3.59Å; C930-H932 PolarHBondContact SG-NE2 2.97Å; C930-P942 CarbonylContact O-C 3.53Å; C930-P942 VanDerWaalsContact O-CA 3.3Å; C930-P942 WeakPolarHBondContact O-CA 3.37Å; C930-P942 WeakPolarHBondContact SG-CB 3.43Å; C930-I943 VanDerWaalsContact CA-O 3.29Å; C930-I943 WeakPolarHBondContact CA-O 3.38Å; C930-I943 PolarHBondContact N-O 2.95Å; C930-I943 PolarHBondContact O-N 3.07Å; C930-I943 PolarHBondContact SG-O 3.14Å; C930-I943 VanDerWaalsContact SG-O 3.4Å; C930-L957 HydrophobicContact CB-CD2 4.28Å; C930-M961 HydrophobicContact CB-CE 3.6Å; C930-M961 HydrophobicContact CB-SD 3.31Å; C930-M961 WeakPolarHBondContact CB-SD 3.46Å; C930-F1149 HydrophobicContact CB-CE1 3.68Å; C930-F1149 HydrophobicContact CB-CE2 4.34Å; C930-F1149 HydrophobicContact CB-CZ 3.82Å; C930-F1149 WeakPolarHBondContact SG-CZ 3.23Å
931I67.6Low56.7Low15 Ų1562.1 Ų62.18%0.07733%0.332CS..EExtended strand (participates in β ladder)trans-115.7130.9166.7-83.9173.7000107L906 A913 F914 I915 V928 P940 P942 I943 M961 L962 F1103 F1149 S1340 L1343 L1347L906-I931 HydrophobicContact CD1-CG2 3.78Å; A913-I931 WeakPolarHBondContact CA-O 3.38Å; F914-I931 HydrophobicContact CB-CD1 4.48Å; F914-I931 HydrophobicContact CB-CG2 3.74Å; F914-I931 HydrophobicContact CD1-CD1 4.31Å; F914-I931 HydrophobicContact CD1-CG1 4.45Å; F914-I931 HydrophobicContact CD1-CG2 3.94Å; F914-I931 HydrophobicContact CG-CG2 4.34Å; F914-I931 PolarHBondContact N-O 2.68Å; F914-I931 CarbonylContact O-C 3.59Å; F914-I931 VanDerWaalsContact O-CA 3.32Å; F914-I931 WeakPolarHBondContact O-CA 3.11Å; F914-I931 PolarHBondContact O-N 3.26Å; I915-I931 HydrophobicContact CB-CG1 4.44Å; I915-I931 HydrophobicContact CG1-CG1 4.23Å; I915-I931 HydrophobicContact CG1-CG2 4.46Å; I915-I931 HydrophobicContact CG2-CG1 4.14Å; V928-I931 HydrophobicContact CG1-CD1 4.24Å; V928-I931 HydrophobicContact CG1-CG1 4Å; I931-P940 HydrophobicContact CD1-CB 3.96Å; I931-P940 HydrophobicContact CD1-CG 4.25Å; I931-P940 WeakPolarHBondContact CD1-O 3.27Å; I931-P940 HydrophobicContact CG1-CB 3.87Å; I931-P940 HydrophobicContact CG2-CB 3.6Å; I931-P942 HydrophobicContact CB-CG 4.34Å; I931-P942 HydrophobicContact CD1-CG 4.08Å; I931-P942 HydrophobicContact CG1-CG 4.39Å; I931-I943 HydrophobicContact CB-CD1 4.25Å; I931-M961 HydrophobicContact CB-CE 4.08Å; I931-M961 HydrophobicContact CD1-CB 3.83Å; I931-M961 HydrophobicContact CG1-CB 4.08Å; I931-M961 HydrophobicContact CG1-CE 3.77Å; I931-M961 HydrophobicContact CG1-SD 4.31Å; I931-M961 HydrophobicContact CG2-CB 4.36Å; I931-M961 HydrophobicContact CG2-CE 3.85Å; I931-L962 HydrophobicContact CD1-CD2 3.8Å; I931-L962 HydrophobicContact CD1-CG 4.06Å; I931-F1103 HydrophobicContact CD1-CD2 3.93Å; I931-F1103 HydrophobicContact CD1-CE1 4.22Å; I931-F1103 HydrophobicContact CD1-CE2 3.41Å; I931-F1103 VanDerWaalsContact CD1-CE2 3.41Å; I931-F1103 HydrophobicContact CD1-CZ 3.58Å; I931-F1149 HydrophobicContact CB-CE1 4.23Å; I931-F1149 HydrophobicContact CD1-CD1 3.59Å; I931-F1149 HydrophobicContact CD1-CD2 3.79Å; I931-F1149 HydrophobicContact CD1-CE1 3.45Å; I931-F1149 VanDerWaalsContact CD1-CE1 3.45Å; I931-F1149 HydrophobicContact CD1-CE2 3.67Å; I931-F1149 HydrophobicContact CD1-CG 3.76Å; I931-F1149 HydrophobicContact CD1-CZ 3.49Å; I931-F1149 VanDerWaalsContact CD1-CZ 3.49Å; I931-F1149 HydrophobicContact CG1-CE1 4.39Å; I931-F1149 HydrophobicContact CG2-CD1 3.98Å; I931-F1149 HydrophobicContact CG2-CE1 4.14Å; I931-S1340 VanDerWaalsContact O-CB 3.27Å; I931-S1340 WeakPolarHBondContact O-CB 3.4Å; I931-L1343 HydrophobicContact CB-CD2 4.42Å; I931-L1343 HydrophobicContact CD1-CD1 4.29Å; I931-L1343 HydrophobicContact CD1-CD2 4.42Å; I931-L1343 HydrophobicContact CG2-CD2 3.79Å; I931-L1347 HydrophobicContact CD1-CD2 4.33Å; I931-L1347 HydrophobicContact CG1-CD2 4.02Å; I931-L1347 HydrophobicContact CG2-CD1 4.07Å
932H65.1Low56.9Low27.25 Ų27.2561.9 Ų61.913%0.12633%0.33CS..EExtended strand (participates in β ladder)trans-131.1147.317398.449.6000110.4F912 A913 F914 C930 P940 V941 I943 H965 F1149 Y1338 N1339 S1340 L1343F912-H932 VanDerWaalsContact O-CA 3.32Å; F912-H932 WeakPolarHBondContact O-CA 3.48Å; F912-H932 WeakPolarHBondContact O-CB 3.29Å; A913-H932 CarbonylContact C-O 3.51Å; A913-H932 VanDerWaalsContact CA-O 3.3Å; A913-H932 WeakPolarHBondContact CA-O 3.28Å; A913-H932 HydrophobicContact CB-CB 3.67Å; A913-H932 WeakPolarHBondContact CB-O 3.4Å; F914-H932 WeakPolarHBondContact CB-CE1 3.49Å; F914-H932 WeakPolarHBondContact CB-NE2 3.28Å; F914-H932 HydrophobicContact CD1-CB 3.91Å; F914-H932 HydrophobicContact CE1-CB 3.7Å; F914-H932 AromaticContact CE1-CG 3.84Å; F914-H932 HydrophobicContact CE2-CB 4.33Å; F914-H932 AromaticContact CE2-CD2 3.38Å; F914-H932 WeakPolarHBondContact CE2-CD2 3.41Å; F914-H932 AromaticContact CE2-CG 3.98Å; F914-H932 HydrophobicContact CG-CB 4.32Å; F914-H932 AromaticContact CG-NE2 3.95Å; F914-H932 HydrophobicContact CZ-CB 3.92Å; F914-H932 AromaticContact CZ-CD2 3.37Å; F914-H932 WeakPolarHBondContact CZ-CD2 3.42Å; F914-H932 AromaticContact CZ-CG 3.56Å; F914-H932 AromaticContact CZ-NE2 3.99Å; F914-H932 PolarHBondContact N-O 3Å; F914-H932 VanDerWaalsContact N-O 3.11Å; F914-H932 PolarHBondContact O-N 3.1Å; C930-H932 VanDerWaalsContact SG-CD2 3.59Å; C930-H932 PolarHBondContact SG-NE2 2.97Å; H932-P940 HydrophobicContact CB-CB 4.36Å; H932-P940 CarbonylContact O-C 3.58Å; H932-P940 WeakPolarHBondContact O-CA 3.38Å; H932-V941 PolarHBondContact N-O 3.33Å; H932-V941 PolarHBondContact O-N 3.44Å; H932-I943 HydrophobicContact CB-CD1 3.58Å; H932-I943 HydrophobicContact CB-CG1 4.18Å; H932-H965 AromaticContact CE1-CD2 3.34Å; H932-H965 PolarHBondContact CE1-CD2 2.95Å; H932-H965 AromaticContact CE1-CE1 3.72Å; H932-H965 PolarHBondContact CE1-CE1 3.37Å; H932-H965 VanDerWaalsContact CE1-CE1 3.48Å; H932-H965 AromaticContact CE1-CG 3.34Å; H932-H965 AromaticContact CE1-ND1 3.63Å; H932-H965 AromaticContact CE1-NE2 3.74Å; H932-H965 AromaticContact ND1-CE1 3.97Å; H932-H965 WeakPolarHBondContact NE2-CB 3.31Å; H932-H965 AromaticContact NE2-CD2 3.6Å; H932-H965 AromaticContact NE2-CG 3.31Å; H932-H965 VanDerWaalsContact NE2-CG 3.31Å; H932-H965 AromaticContact NE2-ND1 3.98Å; H932-F1149 HydrophobicContact CB-CE1 4.32Å; H932-F1149 AromaticContact CD2-CE1 3.87Å; H932-F1149 AromaticContact CD2-CZ 3.64Å; H932-Y1338 HydrophobicContact CB-CD1 4.34Å; H932-Y1338 PolarHBondContact CD2-OH 2.83Å; H932-Y1338 AromaticContact CG-CD1 3.95Å; H932-Y1338 AromaticContact NE2-CE1 3.59Å; H932-Y1338 AromaticContact NE2-CZ 3.45Å; H932-Y1338 PolarHBondContact NE2-OH 2.95Å; H932-N1339 PolarHBondContact CE1-N 2.97Å; H932-N1339 VanDerWaalsContact CE1-N 3.31Å; H932-N1339 PolarHBondContact CE1-O 3.36Å; H932-N1339 PolarHBondContact ND1-N 3.39Å; H932-N1339 PolarHBondContact ND1-O 3.36Å; H932-S1340 VanDerWaalsContact CE1-CA 3.46Å; H932-S1340 WeakPolarHBondContact CE1-CA 3.28Å; H932-S1340 VanDerWaalsContact CE1-CB 3.48Å; H932-S1340 WeakPolarHBondContact CE1-CB 3.42Å; H932-S1340 PolarHBondContact CE1-O 3.36Å; H932-S1340 VanDerWaalsContact CE1-O 3.31Å; H932-L1343 HydrophobicContact CB-CD2 3.71Å
933N60.1Low57.4Low48.75 Ų48.7555.4 Ų55.426%0.26130%0.3SS..  trans-112.5118172.7-168-6.6000109.5N910 F912 A935 R937 F1145 N1339 V1345N910-N933 PolarHBondContact ND2-OD1 3.23Å; F912-N933 CarbonylContact O-C 3.51Å; F912-N933 VanDerWaalsContact O-CA 3.24Å; F912-N933 WeakPolarHBondContact O-CA 3.45Å; F912-N933 PolarHBondContact O-N 3.47Å; F912-N933 PolarHBondContact O-OD1 3.24Å; N933-A935 WeakPolarHBondContact OD1-CB 3.29Å; N933-A935 PolarHBondContact OD1-N 2.97Å; N933-R937 PolarHBondContact ND2-O 3.25Å; N933-F1145 PolarHBondContact ND2-O 3.37Å; N933-N1339 WeakPolarHBondContact CB-O 3.43Å; N933-N1339 PolarHBondContact N-O 3.08Å; N933-V1345 HydrophobicContact CB-CB 3.96Å; N933-V1345 WeakPolarHBondContact CB-O 3.43Å; N933-V1345 WeakPolarHBondContact ND2-CG1 3.25Å
934S52Low57.9Low46.5 Ų46.553 Ų5333%0.32529%0.286SS..  trans-97.483-175.5-174.70000111.8N910 G911 F912 H936 S1340N910-S934 PolarHBondContact ND2-O 2.8Å; G911-S934 WeakPolarHBondContact O-CB 3.29Å; G911-S934 PolarHBondContact O-OG 3.4Å; F912-S934 PolarHBondContact O-N 3.45Å; S934-H936 VanDerWaalsContact C-N 3.27Å; S934-H936 CarbonylContact O-C 3.57Å; S934-H936 PolarHBondContact O-N 3.15Å; S934-H936 VanDerWaalsContact O-N 3.08Å; S934-H936 PolarHBondContact OG-O 2.95Å; S934-H936 VanDerWaalsContact OG-O 3.1Å; S934-S1340 WeakPolarHBondContact CB-O 3.23Å; S934-S1340 PolarHBondContact OG-O 3.08Å
935A48.1Very low58.3Low72.75 Ų72.7552.7 Ų52.760%0.60128%0.276SS*.SBendtrans-44.9-19.617900000115.6N910 N933 R937 F1145N910-A935 PolarHBondContact ND2-N 3.12Å; N933-A935 WeakPolarHBondContact OD1-CB 3.29Å; N933-A935 PolarHBondContact OD1-N 2.97Å; A935-R937 VanDerWaalsContact C-N 3.33Å; A935-R937 PolarHBondContact O-N 2.76Å; A935-F1145 HydrophobicContact CB-CD2 4.5Å
936H44.4Very low58.6Low136.5 Ų136.555.2 Ų55.263%0.63229%0.285SS*.SBendtrans-121.6115.2176.2-66.3-39.9000110.7S934 N938 N939S934-H936 VanDerWaalsContact C-N 3.27Å; S934-H936 CarbonylContact O-C 3.57Å; S934-H936 PolarHBondContact O-N 3.15Å; S934-H936 VanDerWaalsContact O-N 3.08Å; S934-H936 PolarHBondContact OG-O 2.95Å; S934-H936 VanDerWaalsContact OG-O 3.1Å; H936-N938 PolarHBondContact O-N 3.25Å; H936-N939 PolarHBondContact O-N 3.03Å
937R42.6Very low58.2Low170.25 Ų170.2556.8 Ų56.864%0.64230%0.296SS*.THydrogen-bonded Turntrans-33.2-8.2-176.7-70.7-174.8177.1-161.61.9115.8S882 N933 A935 N939 D1352 S1675 F1677S882-R937 PolarHBondContact OG-NH2 2.77Å; N933-R937 PolarHBondContact ND2-O 3.25Å; A935-R937 VanDerWaalsContact C-N 3.33Å; A935-R937 PolarHBondContact O-N 2.76Å; R937-N939 PolarHBondContact O-N 3.3Å; R937-N939 VanDerWaalsContact O-N 3.1Å; R937-D1352 IonicContact CZ-OD1 3.21Å; R937-D1352 IonicContact NH1-OD1 2.73Å; R937-D1352 PolarHBondContact NH1-OD1 3.34Å; R937-S1675 WeakPolarHBondContact CD-O 3.35Å; R937-S1675 PolarHBondContact NE-O 2.98Å; R937-S1675 PolarHBondContact NH1-O 3.41Å; R937-F1677 PolarHBondContact NH2-O 3.43Å
938N46.3Very low57.4Low113.25 Ų113.2554.8 Ų54.861%0.60630%0.303SS*.THydrogen-bonded Turntrans-97.518.4-170.7-66.56000114.5H936 P940 L1346 T1349H936-N938 PolarHBondContact O-N 3.25Å; N938-P940 WeakPolarHBondContact O-CD 3.28Å; N938-L1346 HydrophobicContact CB-CD2 4.47Å; N938-T1349 PolarHBondContact ND2-O 3.35Å
939N51.8Low56.6Low96.25 Ų96.2558.9 Ų58.952%0.51532%0.321SS..  trans-12984.3-179.4-124.9-14.1000114.1H936 R937 V941 K958H936-N939 PolarHBondContact O-N 3.03Å; R937-N939 PolarHBondContact O-N 3.3Å; R937-N939 VanDerWaalsContact O-N 3.1Å; N939-V941 PolarHBondContact O-N 3.05Å; N939-K958 VanDerWaalsContact OD1-CE 3.29Å; N939-K958 WeakPolarHBondContact OD1-CE 3.28Å; N939-K958 PolarHBondContact OD1-NZ 2.98Å
940P53.5Low55.8Low24.75 Ų24.7562.8 Ų62.816%0.16134%0.342CS..  trans-69.2127.6172.828.1-33.2000110.9I931 H932 N938 P942 K958 L962 L1346 L1347I931-P940 HydrophobicContact CD1-CB 3.96Å; I931-P940 HydrophobicContact CD1-CG 4.25Å; I931-P940 WeakPolarHBondContact CD1-O 3.27Å; I931-P940 HydrophobicContact CG1-CB 3.87Å; I931-P940 HydrophobicContact CG2-CB 3.6Å; H932-P940 HydrophobicContact CB-CB 4.36Å; H932-P940 CarbonylContact O-C 3.58Å; H932-P940 WeakPolarHBondContact O-CA 3.38Å; N938-P940 WeakPolarHBondContact O-CD 3.28Å; P940-P942 VanDerWaalsContact O-CD 3.29Å; P940-P942 WeakPolarHBondContact O-CD 3.44Å; P940-K958 VanDerWaalsContact O-CD 3.29Å; P940-K958 WeakPolarHBondContact O-CD 3.48Å; P940-K958 WeakPolarHBondContact O-CE 3.48Å; P940-K958 WeakPolarHBondContact O-CG 3.4Å; P940-L962 HydrophobicContact CG-CD1 4.06Å; P940-L962 HydrophobicContact CG-CD2 4.38Å; P940-L1346 HydrophobicContact CG-CD1 3.91Å; P940-L1347 HydrophobicContact CB-CD2 3.62Å; P940-L1347 HydrophobicContact CG-CD2 4.01Å
941V56.7Low55.3Low49.75 Ų49.7565.2 Ų65.230%0.30236%0.358SS..  trans-100.8120.9179.5179.50000109.8H932 N939 I943 P955 T1098H932-V941 PolarHBondContact N-O 3.33Å; H932-V941 PolarHBondContact O-N 3.44Å; N939-V941 PolarHBondContact O-N 3.05Å; V941-I943 HydrophobicContact CG1-CG1 4.5Å; V941-I943 PolarHBondContact O-N 3.06Å; V941-P955 HydrophobicContact CG1-CB 4.15Å; V941-T1098 HydrophobicContact CG2-CG2 4.12Å
942P59.9Low54.8Low30.25 Ų30.2570.6 Ų70.620%0.19638%0.381CS..  trans-69.5123.4173.13.9-0.3000111.4L929 C930 I931 P940 Q944 S953 R954 L957 K958 M961L929-P942 HydrophobicContact CD1-CB 4.23Å; C930-P942 CarbonylContact O-C 3.53Å; C930-P942 VanDerWaalsContact O-CA 3.3Å; C930-P942 WeakPolarHBondContact O-CA 3.37Å; C930-P942 WeakPolarHBondContact SG-CB 3.43Å; I931-P942 HydrophobicContact CB-CG 4.34Å; I931-P942 HydrophobicContact CD1-CG 4.08Å; I931-P942 HydrophobicContact CG1-CG 4.39Å; P940-P942 VanDerWaalsContact O-CD 3.29Å; P940-P942 WeakPolarHBondContact O-CD 3.44Å; P942-Q944 PolarHBondContact O-N 2.71Å; P942-Q944 VanDerWaalsContact O-N 3.16Å; P942-S953 CarbonylContact O-C 3.56Å; P942-S953 VanDerWaalsContact O-CA 3.32Å; P942-S953 WeakPolarHBondContact O-CA 3.36Å; P942-R954 HydrophobicContact CB-CB 4.31Å; P942-R954 WeakPolarHBondContact CB-O 3.28Å; P942-R954 WeakPolarHBondContact CG-O 3.37Å; P942-R954 PolarHBondContact O-N 3.09Å; P942-L957 HydrophobicContact CB-CB 4.2Å; P942-L957 HydrophobicContact CB-CD2 4.47Å; P942-L957 HydrophobicContact CG-CB 4.27Å; P942-K958 VanDerWaalsContact CG-CA 3.44Å; P942-K958 HydrophobicContact CG-CB 3.96Å; P942-K958 HydrophobicContact CG-CG 4.44Å; P942-M961 HydrophobicContact CB-CE 4.43Å; P942-M961 HydrophobicContact CB-SD 3.62Å; P942-M961 VanDerWaalsContact CB-SD 3.58Å; P942-M961 HydrophobicContact CG-CB 4.46Å; P942-M961 HydrophobicContact CG-SD 3.96Å
943I62.1Low54.5Low31 Ų3173.2 Ų73.216%0.15940%0.402CS..EExtended strand (participates in β ladder)trans-104.2120.3178.1-64.5169.8000109.2C930 I931 H932 V941 L945 P951 F952 F1149 Y1338C930-I943 VanDerWaalsContact CA-O 3.29Å; C930-I943 WeakPolarHBondContact CA-O 3.38Å; C930-I943 PolarHBondContact N-O 2.95Å; C930-I943 PolarHBondContact O-N 3.07Å; C930-I943 PolarHBondContact SG-O 3.14Å; C930-I943 VanDerWaalsContact SG-O 3.4Å; I931-I943 HydrophobicContact CB-CD1 4.25Å; H932-I943 HydrophobicContact CB-CD1 3.58Å; H932-I943 HydrophobicContact CB-CG1 4.18Å; V941-I943 HydrophobicContact CG1-CG1 4.5Å; V941-I943 PolarHBondContact O-N 3.06Å; I943-L945 HydrophobicContact CG2-CD2 3.83Å; I943-L945 VanDerWaalsContact CG2-CD2 3.5Å; I943-L945 HydrophobicContact CG2-CG 4.18Å; I943-L945 PolarHBondContact O-N 2.99Å; I943-P951 HydrophobicContact CG2-CB 3.38Å; I943-P951 VanDerWaalsContact CG2-CB 3.49Å; I943-F952 CarbonylContact C-O 3.03Å; I943-F952 WeakPolarHBondContact CA-O 3.41Å; I943-F1149 HydrophobicContact CD1-CE1 4.12Å; I943-F1149 HydrophobicContact CD1-CZ 4.47Å; I943-Y1338 WeakPolarHBondContact CB-OH 3.48Å; I943-Y1338 HydrophobicContact CD1-CD1 4.16Å; I943-Y1338 HydrophobicContact CD1-CE1 4.23Å; I943-Y1338 HydrophobicContact CD1-CE2 4.18Å; I943-Y1338 WeakPolarHBondContact CD1-OH 3.29Å; I943-Y1338 HydrophobicContact CG2-CE1 4.47Å; I943-Y1338 HydrophobicContact CG2-CE2 3.71Å
944Q62.8Low54.4Low54.5 Ų54.576.6 Ų76.626%0.25541%0.411SS..EExtended strand (participates in β ladder)trans-89.2117.4171.6-151.2175.814.100109.7V928 L929 P942 H946 F952 R954V928-Q944 CarbonylContact O-C 3.53Å; V928-Q944 WeakPolarHBondContact O-CA 3.4Å; L929-Q944 HydrophobicContact CB-CG 4.47Å; L929-Q944 HydrophobicContact CD1-CB 3.99Å; L929-Q944 HydrophobicContact CD1-CG 4.43Å; P942-Q944 PolarHBondContact O-N 2.71Å; P942-Q944 VanDerWaalsContact O-N 3.16Å; Q944-H946 PolarHBondContact NE2-CE1 3.36Å; Q944-H946 PolarHBondContact NE2-NE2 3.43Å; Q944-H946 PolarHBondContact O-N 3.14Å; Q944-H946 VanDerWaalsContact O-N 3.11Å; Q944-H946 PolarHBondContact OE1-CE1 3.23Å; Q944-H946 VanDerWaalsContact OE1-CE1 3.22Å; Q944-H946 PolarHBondContact OE1-NE2 3.39Å; Q944-F952 HydrophobicContact CB-CB 4.39Å; Q944-F952 WeakPolarHBondContact CB-O 3.34Å; Q944-F952 PolarHBondContact N-O 3.1Å; Q944-F952 WeakPolarHBondContact O-CB 3.43Å; Q944-F952 PolarHBondContact O-N 3.29Å; Q944-R954 HydrophobicContact CB-CG 4.01Å; Q944-R954 VanDerWaalsContact OE1-CD 3.29Å; Q944-R954 VanDerWaalsContact OE1-CZ 3.29Å; Q944-R954 VanDerWaalsContact OE1-NH2 3.07Å
945L61.5Low54.5Low24.25 Ų24.2578 Ų7813%0.12742%0.419CS..EExtended strand (participates in β ladder)trans-99.3108.4174.7-59.2170.7000109.1R927 V928 I943 P947 P951 L1139 F1149 R1151 Y1338R927-L945 WeakPolarHBondContact CA-O 3.36Å; V928-L945 HydrophobicContact CB-CB 4.07Å; V928-L945 HydrophobicContact CB-CD1 4.19Å; V928-L945 HydrophobicContact CB-CG 4.43Å; V928-L945 HydrophobicContact CG1-CD1 4.32Å; V928-L945 HydrophobicContact CG2-CB 4.49Å; V928-L945 HydrophobicContact CG2-CD1 4.27Å; V928-L945 PolarHBondContact N-O 3.27Å; V928-L945 PolarHBondContact O-N 3.05Å; I943-L945 HydrophobicContact CG2-CD2 3.83Å; I943-L945 VanDerWaalsContact CG2-CD2 3.5Å; I943-L945 HydrophobicContact CG2-CG 4.18Å; I943-L945 PolarHBondContact O-N 2.99Å; L945-P947 WeakPolarHBondContact O-CD 3.25Å; L945-P951 HydrophobicContact CD2-CB 3.88Å; L945-L1139 HydrophobicContact CD1-CD2 4.48Å; L945-F1149 HydrophobicContact CD1-CE2 3.82Å; L945-F1149 HydrophobicContact CD1-CZ 4.07Å; L945-R1151 PolarHBondContact O-NH2 2.83Å; L945-Y1338 HydrophobicContact CD1-CD1 3.81Å; L945-Y1338 HydrophobicContact CD1-CE1 4.09Å; L945-Y1338 HydrophobicContact CD1-CG 4.13Å; L945-Y1338 HydrophobicContact CD2-CD1 4.14Å; L945-Y1338 HydrophobicContact CD2-CD2 3.66Å; L945-Y1338 HydrophobicContact CD2-CE1 4.39Å; L945-Y1338 HydrophobicContact CD2-CE2 4.3Å; L945-Y1338 HydrophobicContact CD2-CG 3.61Å; L945-Y1338 HydrophobicContact CG-CG 4.49Å
946H61.6Low55Low64.75 Ų64.7578.6 Ų78.630%0.342%0.419SS..  trans-92.9146.9171.6-70.2103.8000111R927 Q944 G948 E949 R1151R927-H946 PolarHBondContact NH1-CD2 3.01Å; Q944-H946 PolarHBondContact NE2-CE1 3.36Å; Q944-H946 PolarHBondContact NE2-NE2 3.43Å; Q944-H946 PolarHBondContact O-N 3.14Å; Q944-H946 VanDerWaalsContact O-N 3.11Å; Q944-H946 PolarHBondContact OE1-CE1 3.23Å; Q944-H946 VanDerWaalsContact OE1-CE1 3.22Å; Q944-H946 PolarHBondContact OE1-NE2 3.39Å; H946-G948 PolarHBondContact O-N 3.05Å; H946-E949 HydrophobicContact CB-CB 4.1Å; H946-E949 HydrophobicContact CB-CG 4.05Å; H946-E949 VanDerWaalsContact CB-CG 3.47Å; H946-E949 WeakPolarHBondContact CB-OE2 3.31Å; H946-E949 IonicContact CE1-OE2 3.32Å; H946-E949 IonicContact CG-OE2 2.72Å; H946-E949 IonicContact ND1-OE1 3.67Å; H946-E949 IonicContact ND1-OE2 3.16Å; H946-E949 PolarHBondContact ND1-OE2 2.89Å; H946-E949 PolarHBondContact O-N 3.11Å; H946-R1151 PolarHBondContact O-NH1 3.29Å; H946-R1151 PolarHBondContact O-NH2 2.98Å
947P53.2Low55.9Low49.25 Ų49.2574.2 Ų74.232%0.3240%0.4SS..THydrogen-bonded Turntrans-59.6122.4175.9-12.119.4000111.7G925 R927 L945 E949 P951 L1135 E1137G925-P947 VanDerWaalsContact CA-CG 3.47Å; R927-P947 HydrophobicContact CG-CG 4.23Å; L945-P947 WeakPolarHBondContact O-CD 3.25Å; P947-E949 WeakPolarHBondContact O-CG 3.18Å; P947-E949 PolarHBondContact O-N 3.22Å; P947-P951 HydrophobicContact CB-CG 4.31Å; P947-L1135 HydrophobicContact CB-CD1 4.01Å; P947-E1137 WeakPolarHBondContact CA-OE2 3.28Å
948G50.4Low56.7Low45 Ų4570.2 Ų70.246%0.46439%0.387SS..THydrogen-bonded Turntrans59.9-9.917900000116.3H946 L1135 E1137 R1153H946-G948 PolarHBondContact O-N 3.05Å; G948-L1135 VanDerWaalsContact CA-CD2 3.48Å; G948-E1137 WeakPolarHBondContact CA-OE1 3.46Å; G948-E1137 PolarHBondContact N-OE1 2.7Å; G948-R1153 VanDerWaalsContact C-CZ 3.49Å; G948-R1153 VanDerWaalsContact CA-CZ 3.45Å; G948-R1153 VanDerWaalsContact CA-NH2 3.29Å; G948-R1153 VanDerWaalsContact N-NH2 3.16Å; G948-R1153 PolarHBondContact O-NH1 3.37Å
949E53.3Low57.4Low100.5 Ų100.568.2 Ų68.247%0.4738%0.382SS..SBendtrans-107.1150.3179.3-68.2-177.5178.600112.4H946 P947 P951 F952 R1151 R1153 F1735H946-E949 HydrophobicContact CB-CB 4.1Å; H946-E949 HydrophobicContact CB-CG 4.05Å; H946-E949 VanDerWaalsContact CB-CG 3.47Å; H946-E949 WeakPolarHBondContact CB-OE2 3.31Å; H946-E949 IonicContact CE1-OE2 3.32Å; H946-E949 IonicContact CG-OE2 2.72Å; H946-E949 IonicContact ND1-OE1 3.67Å; H946-E949 IonicContact ND1-OE2 3.16Å; H946-E949 PolarHBondContact ND1-OE2 2.89Å; H946-E949 PolarHBondContact O-N 3.11Å; P947-E949 WeakPolarHBondContact O-CG 3.18Å; P947-E949 PolarHBondContact O-N 3.22Å; E949-P951 WeakPolarHBondContact O-CD 3.34Å; E949-F952 HydrophobicContact CB-CE2 4.18Å; E949-F952 WeakPolarHBondContact OE2-CE2 3.35Å; E949-R1151 PolarHBondContact O-NH1 2.92Å; E949-R1153 VanDerWaalsContact O-CZ 3.26Å; E949-R1153 PolarHBondContact O-NH1 3.29Å; E949-R1153 PolarHBondContact O-NH2 2.98Å; E949-F1735 HydrophobicContact CB-CE1 4.2Å; E949-F1735 HydrophobicContact CB-CE2 4.26Å; E949-F1735 HydrophobicContact CB-CZ 3.64Å; E949-F1735 HydrophobicContact CG-CE1 4.45Å; E949-F1735 HydrophobicContact CG-CE2 3.72Å; E949-F1735 HydrophobicContact CG-CZ 3.44Å; E949-F1735 VanDerWaalsContact CG-CZ 3.44Å
950N51.6Low57.9Low110.25 Ų110.2570.4 Ų70.459%0.5938%0.383SS*.PPolyproline II helixtrans-69.6145.3176.9-70.5-32.3000112.1F952 R1687N950-F952 VanDerWaalsContact O-CD2 3.27Å; N950-F952 WeakPolarHBondContact O-CD2 3.38Å; N950-F952 WeakPolarHBondContact O-CE2 3.44Å; N950-F952 PolarHBondContact O-N 3.36Å; N950-F952 VanDerWaalsContact O-N 3.17Å; N950-R1687 PolarHBondContact ND2-O 2.91Å
951P56.2Low58.5Low59.25 Ų59.2570.2 Ų70.239%0.38538%0.38SS..  trans-67.5125172.320.1-23.7000111.7I943 L945 P947 E949 S953 Y1338I943-P951 HydrophobicContact CG2-CB 3.38Å; I943-P951 VanDerWaalsContact CG2-CB 3.49Å; L945-P951 HydrophobicContact CD2-CB 3.88Å; P947-P951 HydrophobicContact CB-CG 4.31Å; E949-P951 WeakPolarHBondContact O-CD 3.34Å; P951-S953 PolarHBondContact O-N 3.24Å; P951-Y1338 HydrophobicContact CB-CD2 3.85Å; P951-Y1338 HydrophobicContact CB-CE1 4.19Å; P951-Y1338 HydrophobicContact CB-CE2 4.05Å; P951-Y1338 HydrophobicContact CG-CD2 4.12Å; P951-Y1338 HydrophobicContact CG-CE1 4.35Å; P951-Y1338 HydrophobicContact CG-CE2 4Å; P951-Y1338 WeakPolarHBondContact CG-OH 3.44Å
952F58Low58.9Low127.75 Ų127.7570.1 Ų70.156%0.5638%0.378SS*.EExtended strand (participates in β ladder)trans-89.1118.4179-126.4-83.1000111.5I943 Q944 E949 N950 R954 Y1670I943-F952 CarbonylContact C-O 3.03Å; I943-F952 WeakPolarHBondContact CA-O 3.41Å; Q944-F952 HydrophobicContact CB-CB 4.39Å; Q944-F952 WeakPolarHBondContact CB-O 3.34Å; Q944-F952 PolarHBondContact N-O 3.1Å; Q944-F952 WeakPolarHBondContact O-CB 3.43Å; Q944-F952 PolarHBondContact O-N 3.29Å; E949-F952 HydrophobicContact CB-CE2 4.18Å; E949-F952 WeakPolarHBondContact OE2-CE2 3.35Å; N950-F952 VanDerWaalsContact O-CD2 3.27Å; N950-F952 WeakPolarHBondContact O-CD2 3.38Å; N950-F952 WeakPolarHBondContact O-CE2 3.44Å; N950-F952 PolarHBondContact O-N 3.36Å; N950-F952 VanDerWaalsContact O-N 3.17Å; F952-R954 HydrophobicContact CD1-CG 4Å; F952-R954 HydrophobicContact CE1-CG 4.42Å; F952-R954 PolarHBondContact O-N 3.13Å; F952-Y1670 HydrophobicContact CZ-CE2 4.1Å; F952-Y1670 AromaticContact CZ-CZ 3.81Å; F952-Y1670 WeakPolarHBondContact CZ-OH 3.39Å
953S57.6Low59.1Low81.75 Ų81.7576 Ų7657%0.57240%0.396SS*.EExtended strand (participates in β ladder)trans-65.7121.6179.43.60000111.8P942 P951 P955P942-S953 CarbonylContact O-C 3.56Å; P942-S953 VanDerWaalsContact O-CA 3.32Å; P942-S953 WeakPolarHBondContact O-CA 3.36Å; P951-S953 PolarHBondContact O-N 3.24Å; S953-P955 VanDerWaalsContact C-CD 3.46Å; S953-P955 WeakPolarHBondContact O-CD 3.35Å
954R58Low59.2Low119.5 Ų119.576.5 Ų76.545%0.45140%0.399SS..  trans-115.676.3175.5-70.9-120-179.5-159.9-4.9111L929 P942 Q944 F952 S956 L957 K958 Y1670L929-R954 HydrophobicContact CD1-CB 4.2Å; L929-R954 HydrophobicContact CD1-CG 4.36Å; P942-R954 HydrophobicContact CB-CB 4.31Å; P942-R954 WeakPolarHBondContact CB-O 3.28Å; P942-R954 WeakPolarHBondContact CG-O 3.37Å; P942-R954 PolarHBondContact O-N 3.09Å; Q944-R954 HydrophobicContact CB-CG 4.01Å; Q944-R954 VanDerWaalsContact OE1-CD 3.29Å; Q944-R954 VanDerWaalsContact OE1-CZ 3.29Å; Q944-R954 VanDerWaalsContact OE1-NH2 3.07Å; F952-R954 HydrophobicContact CD1-CG 4Å; F952-R954 HydrophobicContact CE1-CG 4.42Å; F952-R954 PolarHBondContact O-N 3.13Å; R954-S956 VanDerWaalsContact C-N 3.26Å; R954-S956 PolarHBondContact O-N 2.98Å; R954-S956 VanDerWaalsContact O-N 3.13Å; R954-L957 HydrophobicContact CB-CB 4.17Å; R954-L957 HydrophobicContact CB-CD1 3.86Å; R954-L957 HydrophobicContact CB-CD2 4.39Å; R954-L957 HydrophobicContact CB-CG 4.11Å; R954-L957 HydrophobicContact CG-CD1 4.26Å; R954-L957 WeakPolarHBondContact O-CA 3.28Å; R954-L957 VanDerWaalsContact O-CB 3.31Å; R954-L957 WeakPolarHBondContact O-CB 3.3Å; R954-L957 PolarHBondContact O-N 3.24Å; R954-K958 PolarHBondContact O-N 2.85Å; R954-Y1670 PolarHBondContact NH1-OH 3.2Å
955P55.8Low59.5Low76 Ų7674.8 Ų74.849%0.49439%0.39SS..G310 helixtrans-59.3-26.5-179.412.7-19.1000113.7V941 S953 L957 K958 S959 E1672V941-P955 HydrophobicContact CG1-CB 4.15Å; S953-P955 VanDerWaalsContact C-CD 3.46Å; S953-P955 WeakPolarHBondContact O-CD 3.35Å; P955-L957 PolarHBondContact O-N 3.39Å; P955-L957 VanDerWaalsContact O-N 3.14Å; P955-K958 WeakPolarHBondContact O-CB 3.39Å; P955-K958 PolarHBondContact O-N 3.07Å; P955-S959 PolarHBondContact O-N 3.02Å; P955-E1672 WeakPolarHBondContact CB-OE1 3.38Å; P955-E1672 WeakPolarHBondContact CB-OE2 3.39Å; P955-E1672 HydrophobicContact CG-CB 4.3Å; P955-E1672 HydrophobicContact CG-CG 4.21Å; P955-E1672 WeakPolarHBondContact CG-OE1 3.48Å; P955-E1672 WeakPolarHBondContact CG-OE2 3.32Å
956S58.6Low59.8Low85.5 Ų85.577.6 Ų77.660%0.59840%0.403SS*.G310 helixtrans-62.1-23.9172.1580000114R954 S959 R960R954-S956 VanDerWaalsContact C-N 3.26Å; R954-S956 PolarHBondContact O-N 2.98Å; R954-S956 VanDerWaalsContact O-N 3.13Å; S956-S959 WeakPolarHBondContact CA-OG 3.25Å; S956-S959 CarbonylContact O-C 3.35Å; S956-S959 PolarHBondContact O-N 2.93Å; S956-S959 PolarHBondContact O-OG 3.05Å; S956-R960 WeakPolarHBondContact O-CB 3.28Å; S956-R960 PolarHBondContact O-N 2.87Å
957L61.6Low60Low45 Ų4578.5 Ų78.524%0.23641%0.407CS..G310 helixtrans-81.5-23.3176.3-116121.9000112.2L929 C930 P942 R954 P955 S959 R960 M961L929-L957 HydrophobicContact CD1-CD1 4.2Å; L929-L957 HydrophobicContact CD2-CD1 3.95Å; L929-L957 WeakPolarHBondContact O-CD2 3.11Å; C930-L957 HydrophobicContact CB-CD2 4.28Å; P942-L957 HydrophobicContact CB-CB 4.2Å; P942-L957 HydrophobicContact CB-CD2 4.47Å; P942-L957 HydrophobicContact CG-CB 4.27Å; R954-L957 HydrophobicContact CB-CB 4.17Å; R954-L957 HydrophobicContact CB-CD1 3.86Å; R954-L957 HydrophobicContact CB-CD2 4.39Å; R954-L957 HydrophobicContact CB-CG 4.11Å; R954-L957 HydrophobicContact CG-CD1 4.26Å; R954-L957 WeakPolarHBondContact O-CA 3.28Å; R954-L957 VanDerWaalsContact O-CB 3.31Å; R954-L957 WeakPolarHBondContact O-CB 3.3Å; R954-L957 PolarHBondContact O-N 3.24Å; P955-L957 PolarHBondContact O-N 3.39Å; P955-L957 VanDerWaalsContact O-N 3.14Å; L957-S959 VanDerWaalsContact C-N 3.26Å; L957-S959 PolarHBondContact O-N 3.17Å; L957-R960 WeakPolarHBondContact O-CA 3.38Å; L957-R960 WeakPolarHBondContact O-CB 3.47Å; L957-R960 PolarHBondContact O-N 3.25Å; L957-M961 HydrophobicContact CB-CG 4.35Å; L957-M961 HydrophobicContact CB-SD 4.37Å; L957-M961 HydrophobicContact CD1-CG 3.81Å; L957-M961 HydrophobicContact CD1-SD 3.6Å; L957-M961 HydrophobicContact CD2-SD 4.06Å; L957-M961 HydrophobicContact CG-CG 3.93Å; L957-M961 HydrophobicContact CG-SD 3.96Å; L957-M961 WeakPolarHBondContact O-CB 3.36Å; L957-M961 WeakPolarHBondContact O-CG 3.4Å; L957-M961 PolarHBondContact O-N 3.3Å
958K60.1Low60.6Low86.25 Ų86.2577.2 Ų77.238%0.37540%0.397SS..Hα-helixtrans-53.8-53.7-178.2-174.8-178.2174.9-1750111.7N939 P940 P942 R954 P955 R960 M961 L962N939-K958 VanDerWaalsContact OD1-CE 3.29Å; N939-K958 WeakPolarHBondContact OD1-CE 3.28Å; N939-K958 PolarHBondContact OD1-NZ 2.98Å; P940-K958 VanDerWaalsContact O-CD 3.29Å; P940-K958 WeakPolarHBondContact O-CD 3.48Å; P940-K958 WeakPolarHBondContact O-CE 3.48Å; P940-K958 WeakPolarHBondContact O-CG 3.4Å; P942-K958 VanDerWaalsContact CG-CA 3.44Å; P942-K958 HydrophobicContact CG-CB 3.96Å; P942-K958 HydrophobicContact CG-CG 4.44Å; R954-K958 PolarHBondContact O-N 2.85Å; P955-K958 WeakPolarHBondContact O-CB 3.39Å; P955-K958 PolarHBondContact O-N 3.07Å; K958-R960 VanDerWaalsContact C-N 3.27Å; K958-R960 PolarHBondContact O-N 3.3Å; K958-M961 PolarHBondContact O-N 3.39Å; K958-L962 HydrophobicContact CD-CD1 4.34Å; K958-L962 HydrophobicContact CG-CD1 3.88Å; K958-L962 HydrophobicContact CG-CG 4.38Å; K958-L962 VanDerWaalsContact O-CB 3.31Å; K958-L962 WeakPolarHBondContact O-CB 3.32Å; K958-L962 WeakPolarHBondContact O-CG 3.39Å; K958-L962 PolarHBondContact O-N 2.9Å
959S61.9Low61.4Low71.5 Ų71.577.2 Ų77.250%0.539%0.386SS..Hα-helixtrans-63.1-30.1179.267.70000113.5P955 S956 L957 R963P955-S959 PolarHBondContact O-N 3.02Å; S956-S959 WeakPolarHBondContact CA-OG 3.25Å; S956-S959 CarbonylContact O-C 3.35Å; S956-S959 PolarHBondContact O-N 2.93Å; S956-S959 PolarHBondContact O-OG 3.05Å; L957-S959 VanDerWaalsContact C-N 3.26Å; L957-S959 PolarHBondContact O-N 3.17Å; S959-R963 VanDerWaalsContact O-CB 3.27Å; S959-R963 WeakPolarHBondContact O-CB 3.38Å; S959-R963 PolarHBondContact O-N 3.37Å; S959-R963 VanDerWaalsContact O-N 3.08Å; S959-R963 PolarHBondContact O-NE 2.97Å; S959-R963 PolarHBondContact OG-NH2 3.16Å
960R62.1Low62Low142.25 Ų142.2576.3 Ų76.354%0.53738%0.381SS..Hα-helixtrans-78.2-39.4178.4-125-179.8-160.8179.3-0.5111.9W894 S956 L957 K958 L962 R963 M964 R1038W894-R960 HydrophobicContact CH2-CB 4.32Å; W894-R960 HydrophobicContact CH2-CG 4.28Å; S956-R960 WeakPolarHBondContact O-CB 3.28Å; S956-R960 PolarHBondContact O-N 2.87Å; L957-R960 WeakPolarHBondContact O-CA 3.38Å; L957-R960 WeakPolarHBondContact O-CB 3.47Å; L957-R960 PolarHBondContact O-N 3.25Å; K958-R960 VanDerWaalsContact C-N 3.27Å; K958-R960 PolarHBondContact O-N 3.3Å; R960-L962 VanDerWaalsContact C-N 3.32Å; R960-R963 PolarHBondContact O-N 3.27Å; R960-M964 VanDerWaalsContact O-CB 3.28Å; R960-M964 WeakPolarHBondContact O-CB 3.36Å; R960-M964 PolarHBondContact O-N 3.03Å; R960-M964 VanDerWaalsContact O-N 3.15Å; R960-R1038 PolarHBondContact NH1-O 2.52Å; R960-R1038 PolarHBondContact NH2-O 3.28Å
961M64.6Low62.4Low20 Ų2073.9 Ų73.910%0.09937%0.369CS..Hα-helixtrans-76.8-39.4179.4-69.1-170.467.600112.3F914 T916 L929 C930 I931 P942 L957 K958 R963 M964 H965F914-M961 HydrophobicContact CD1-CB 4.34Å; F914-M961 HydrophobicContact CD1-CE 3.89Å; F914-M961 HydrophobicContact CE1-CB 4.34Å; F914-M961 HydrophobicContact CE1-CE 3.75Å; F914-M961 VanDerWaalsContact CE1-CE 3.44Å; F914-M961 HydrophobicContact CE1-CG 4.4Å; F914-M961 HydrophobicContact CZ-CE 4.34Å; T916-M961 HydrophobicContact CG2-CE 4.11Å; T916-M961 WeakPolarHBondContact OG1-CE 3.27Å; L929-M961 HydrophobicContact CB-CE 4.32Å; L929-M961 HydrophobicContact CD1-CE 4.37Å; L929-M961 HydrophobicContact CD1-SD 3.91Å; L929-M961 HydrophobicContact CD2-CE 4.2Å; L929-M961 HydrophobicContact CD2-CG 4.41Å; L929-M961 HydrophobicContact CD2-SD 3.63Å; L929-M961 HydrophobicContact CG-CE 3.77Å; L929-M961 HydrophobicContact CG-SD 3.55Å; L929-M961 WeakPolarHBondContact CG-SD 3.49Å; L929-M961 WeakPolarHBondContact O-CE 3.48Å; C930-M961 HydrophobicContact CB-CE 3.6Å; C930-M961 HydrophobicContact CB-SD 3.31Å; C930-M961 WeakPolarHBondContact CB-SD 3.46Å; I931-M961 HydrophobicContact CB-CE 4.08Å; I931-M961 HydrophobicContact CD1-CB 3.83Å; I931-M961 HydrophobicContact CG1-CB 4.08Å; I931-M961 HydrophobicContact CG1-CE 3.77Å; I931-M961 HydrophobicContact CG1-SD 4.31Å; I931-M961 HydrophobicContact CG2-CB 4.36Å; I931-M961 HydrophobicContact CG2-CE 3.85Å; P942-M961 HydrophobicContact CB-CE 4.43Å; P942-M961 HydrophobicContact CB-SD 3.62Å; P942-M961 VanDerWaalsContact CB-SD 3.58Å; P942-M961 HydrophobicContact CG-CB 4.46Å; P942-M961 HydrophobicContact CG-SD 3.96Å; L957-M961 HydrophobicContact CB-CG 4.35Å; L957-M961 HydrophobicContact CB-SD 4.37Å; L957-M961 HydrophobicContact CD1-CG 3.81Å; L957-M961 HydrophobicContact CD1-SD 3.6Å; L957-M961 HydrophobicContact CD2-SD 4.06Å; L957-M961 HydrophobicContact CG-CG 3.93Å; L957-M961 HydrophobicContact CG-SD 3.96Å; L957-M961 WeakPolarHBondContact O-CB 3.36Å; L957-M961 WeakPolarHBondContact O-CG 3.4Å; L957-M961 PolarHBondContact O-N 3.3Å; K958-M961 PolarHBondContact O-N 3.39Å; M961-R963 VanDerWaalsContact C-N 3.35Å; M961-R963 PolarHBondContact O-N 3.38Å; M961-M964 HydrophobicContact CE-CE 4.15Å; M961-M964 HydrophobicContact CE-SD 4.39Å; M961-M964 HydrophobicContact CG-CE 4.28Å; M961-M964 WeakPolarHBondContact O-CA 3.32Å; M961-M964 WeakPolarHBondContact O-CB 3.47Å; M961-M964 PolarHBondContact O-N 3.15Å; M961-H965 VanDerWaalsContact O-CB 3.28Å; M961-H965 WeakPolarHBondContact O-CB 3.33Å; M961-H965 PolarHBondContact O-N 3.12Å
962L65.8Low62.6Low47 Ų4773.3 Ų73.325%0.24636%0.361CS..Hα-helixtrans-61.8-43.9172.4-118145.2000111.1I931 P940 K958 R960 M964 H965 Q966 L1343 L1347 T1349I931-L962 HydrophobicContact CD1-CD2 3.8Å; I931-L962 HydrophobicContact CD1-CG 4.06Å; P940-L962 HydrophobicContact CG-CD1 4.06Å; P940-L962 HydrophobicContact CG-CD2 4.38Å; K958-L962 HydrophobicContact CD-CD1 4.34Å; K958-L962 HydrophobicContact CG-CD1 3.88Å; K958-L962 HydrophobicContact CG-CG 4.38Å; K958-L962 VanDerWaalsContact O-CB 3.31Å; K958-L962 WeakPolarHBondContact O-CB 3.32Å; K958-L962 WeakPolarHBondContact O-CG 3.39Å; K958-L962 PolarHBondContact O-N 2.9Å; R960-L962 VanDerWaalsContact C-N 3.32Å; L962-M964 VanDerWaalsContact C-N 3.33Å; L962-M964 PolarHBondContact O-N 3.45Å; L962-H965 PolarHBondContact O-N 3.17Å; L962-Q966 HydrophobicContact CD2-CG 4.44Å; L962-Q966 VanDerWaalsContact O-CB 3.22Å; L962-Q966 WeakPolarHBondContact O-CB 3.38Å; L962-Q966 VanDerWaalsContact O-CG 3.24Å; L962-Q966 WeakPolarHBondContact O-CG 3.39Å; L962-Q966 PolarHBondContact O-N 3.05Å; L962-L1343 HydrophobicContact CD2-CD2 3.86Å; L962-L1347 HydrophobicContact CD2-CB 4.47Å; L962-L1347 HydrophobicContact CD2-CD2 4.28Å; L962-T1349 HydrophobicContact CB-CG2 4.2Å; L962-T1349 HydrophobicContact CD1-CG2 4.34Å
963R64.7Low62.6Low153.75 Ų153.7572.8 Ų72.858%0.5836%0.364SS*.Hα-helixtrans-65.8-34.1174.7-151.1178-86.6166.8-1.8113.4S959 R960 M961 H967S959-R963 VanDerWaalsContact O-CB 3.27Å; S959-R963 WeakPolarHBondContact O-CB 3.38Å; S959-R963 PolarHBondContact O-N 3.37Å; S959-R963 VanDerWaalsContact O-N 3.08Å; S959-R963 PolarHBondContact O-NE 2.97Å; S959-R963 PolarHBondContact OG-NH2 3.16Å; R960-R963 PolarHBondContact O-N 3.27Å; M961-R963 VanDerWaalsContact C-N 3.35Å; M961-R963 PolarHBondContact O-N 3.38Å; R963-H967 VanDerWaalsContact O-CB 3.23Å; R963-H967 WeakPolarHBondContact O-CB 3.41Å; R963-H967 PolarHBondContact O-CD2 3.36Å; R963-H967 VanDerWaalsContact O-CD2 3.24Å; R963-H967 VanDerWaalsContact O-CG 3.29Å; R963-H967 PolarHBondContact O-N 2.95Å; R963-H967 VanDerWaalsContact O-N 3.15Å
964M64.8Low62.4Low43.5 Ų43.571.7 Ų71.721%0.21436%0.357CS..Hα-helixtrans-70.5-40.7175.3-177178.539.200111.5W894 F899 F914 T916 R960 M961 L962 Q966 H967 L968 F1035W894-M964 HydrophobicContact CE3-SD 4.11Å; W894-M964 HydrophobicContact CZ3-SD 4.06Å; F899-M964 HydrophobicContact CE1-CE 4.47Å; F899-M964 HydrophobicContact CZ-SD 4.45Å; F914-M964 HydrophobicContact CE1-CB 4.49Å; F914-M964 HydrophobicContact CE1-CE 3.55Å; F914-M964 HydrophobicContact CE1-CG 4.4Å; F914-M964 HydrophobicContact CE1-SD 4.38Å; F914-M964 HydrophobicContact CZ-CB 4.3Å; F914-M964 HydrophobicContact CZ-CE 3.55Å; F914-M964 HydrophobicContact CZ-CG 3.95Å; F914-M964 HydrophobicContact CZ-SD 4Å; T916-M964 HydrophobicContact CG2-CE 4.31Å; R960-M964 VanDerWaalsContact O-CB 3.28Å; R960-M964 WeakPolarHBondContact O-CB 3.36Å; R960-M964 PolarHBondContact O-N 3.03Å; R960-M964 VanDerWaalsContact O-N 3.15Å; M961-M964 HydrophobicContact CE-CE 4.15Å; M961-M964 HydrophobicContact CE-SD 4.39Å; M961-M964 HydrophobicContact CG-CE 4.28Å; M961-M964 WeakPolarHBondContact O-CA 3.32Å; M961-M964 WeakPolarHBondContact O-CB 3.47Å; M961-M964 PolarHBondContact O-N 3.15Å; L962-M964 VanDerWaalsContact C-N 3.33Å; L962-M964 PolarHBondContact O-N 3.45Å; M964-Q966 VanDerWaalsContact C-N 3.32Å; M964-Q966 PolarHBondContact O-N 3.4Å; M964-H967 PolarHBondContact O-N 3.39Å; M964-L968 HydrophobicContact CG-CD1 4.19Å; M964-L968 WeakPolarHBondContact O-CB 3.38Å; M964-L968 WeakPolarHBondContact O-CD1 3.44Å; M964-L968 VanDerWaalsContact O-CG 3.28Å; M964-L968 WeakPolarHBondContact O-CG 3.42Å; M964-L968 PolarHBondContact O-N 3.29Å; M964-L968 VanDerWaalsContact O-N 3.13Å; M964-F1035 HydrophobicContact CE-CZ 4.31Å; M964-F1035 HydrophobicContact SD-CE1 4.22Å; M964-F1035 HydrophobicContact SD-CZ 3.53Å; M964-F1035 VanDerWaalsContact SD-CZ 3.53Å
965H68.1Low61.7Low16.75 Ų16.7572.9 Ų72.98%0.07837%0.372CS..Hα-helixtrans-63.7-46.3173.7173.465.8000111.3N910 F914 H932 M961 L962 H967 L968 M969 L1347N910-H965 PolarHBondContact O-CE1 3.02Å; N910-H965 PolarHBondContact O-NE2 3.02Å; F914-H965 HydrophobicContact CB-CB 4.23Å; F914-H965 HydrophobicContact CD1-CB 4.08Å; F914-H965 HydrophobicContact CD2-CB 3.99Å; F914-H965 AromaticContact CD2-CD2 3.9Å; F914-H965 AromaticContact CD2-ND1 3.74Å; F914-H965 HydrophobicContact CE2-CB 4.43Å; F914-H965 HydrophobicContact CG-CB 4.01Å; H932-H965 AromaticContact CE1-CD2 3.34Å; H932-H965 PolarHBondContact CE1-CD2 2.95Å; H932-H965 AromaticContact CE1-CE1 3.72Å; H932-H965 PolarHBondContact CE1-CE1 3.37Å; H932-H965 VanDerWaalsContact CE1-CE1 3.48Å; H932-H965 AromaticContact CE1-CG 3.34Å; H932-H965 AromaticContact CE1-ND1 3.63Å; H932-H965 AromaticContact CE1-NE2 3.74Å; H932-H965 AromaticContact ND1-CE1 3.97Å; H932-H965 WeakPolarHBondContact NE2-CB 3.31Å; H932-H965 AromaticContact NE2-CD2 3.6Å; H932-H965 AromaticContact NE2-CG 3.31Å; H932-H965 VanDerWaalsContact NE2-CG 3.31Å; H932-H965 AromaticContact NE2-ND1 3.98Å; M961-H965 VanDerWaalsContact O-CB 3.28Å; M961-H965 WeakPolarHBondContact O-CB 3.33Å; M961-H965 PolarHBondContact O-N 3.12Å; L962-H965 PolarHBondContact O-N 3.17Å; H965-H967 VanDerWaalsContact C-N 3.34Å; H965-H967 PolarHBondContact O-N 3.24Å; H965-L968 CarbonylContact O-C 3.52Å; H965-L968 WeakPolarHBondContact O-CA 3.34Å; H965-L968 PolarHBondContact O-N 3.29Å; H965-L968 VanDerWaalsContact O-N 3.1Å; H965-M969 VanDerWaalsContact CE1-SD 3.58Å; H965-M969 WeakPolarHBondContact O-CG 3.36Å; H965-M969 PolarHBondContact O-N 3.09Å; H965-L1347 VanDerWaalsContact CE1-CB 3.46Å; H965-L1347 WeakPolarHBondContact CE1-CB 3.29Å; H965-L1347 PolarHBondContact CE1-O 2.97Å
966Q68.5Low61.4Low84.75 Ų84.7573.3 Ų73.340%0.39637%0.37SS..Hα-helixtrans-54.5-51.5173-129.8175.4-25.400111.4L962 M964 L968 M969 E970L962-Q966 HydrophobicContact CD2-CG 4.44Å; L962-Q966 VanDerWaalsContact O-CB 3.22Å; L962-Q966 WeakPolarHBondContact O-CB 3.38Å; L962-Q966 VanDerWaalsContact O-CG 3.24Å; L962-Q966 WeakPolarHBondContact O-CG 3.39Å; L962-Q966 PolarHBondContact O-N 3.05Å; M964-Q966 VanDerWaalsContact C-N 3.32Å; M964-Q966 PolarHBondContact O-N 3.4Å; Q966-L968 VanDerWaalsContact C-N 3.28Å; Q966-L968 PolarHBondContact O-N 3.22Å; Q966-L968 VanDerWaalsContact O-N 3.16Å; Q966-M969 WeakPolarHBondContact O-CB 3.5Å; Q966-M969 PolarHBondContact O-N 3.12Å; Q966-M969 VanDerWaalsContact O-N 3.15Å; Q966-E970 HydrophobicContact CG-CG 4.42Å; Q966-E970 WeakPolarHBondContact CG-OE1 3.41Å; Q966-E970 PolarHBondContact NE2-OE1 3.38Å; Q966-E970 WeakPolarHBondContact O-CB 3.32Å; Q966-E970 VanDerWaalsContact O-CG 3.27Å; Q966-E970 WeakPolarHBondContact O-CG 3.38Å; Q966-E970 PolarHBondContact O-N 3.13Å
967H64.8Low60.7Low82.75 Ų82.7575.1 Ų75.138%0.38338%0.377SS..Hα-helixtrans-63.1-29178.2-91-35.9000113.7R963 M964 H965 E970 L971 R1038R963-H967 VanDerWaalsContact O-CB 3.23Å; R963-H967 WeakPolarHBondContact O-CB 3.41Å; R963-H967 PolarHBondContact O-CD2 3.36Å; R963-H967 VanDerWaalsContact O-CD2 3.24Å; R963-H967 VanDerWaalsContact O-CG 3.29Å; R963-H967 PolarHBondContact O-N 2.95Å; R963-H967 VanDerWaalsContact O-N 3.15Å; M964-H967 PolarHBondContact O-N 3.39Å; H965-H967 VanDerWaalsContact C-N 3.34Å; H965-H967 PolarHBondContact O-N 3.24Å; H967-E970 WeakPolarHBondContact CA-OE2 3.46Å; H967-E970 IonicContact CE1-OE2 3.15Å; H967-E970 IonicContact CG-OE2 3.34Å; H967-E970 IonicContact ND1-OE1 3.73Å; H967-E970 IonicContact ND1-OE2 3.38Å; H967-E970 PolarHBondContact ND1-OE2 3.1Å; H967-L971 WeakPolarHBondContact O-CB 3.33Å; H967-L971 WeakPolarHBondContact O-CD1 3.39Å; H967-L971 VanDerWaalsContact O-CG 3.25Å; H967-L971 WeakPolarHBondContact O-CG 3.46Å; H967-L971 PolarHBondContact O-N 3.11Å; H967-R1038 PolarHBondContact NE2-NH1 2.93Å
968L66.6Low60Low22.75 Ų22.7575.9 Ų75.912%0.11938%0.381CS..Hα-helixtrans-78.8-32.1175-75.4168.1000112.7F900 F909 F914 M964 H965 Q966 L971 I972F900-L968 HydrophobicContact CB-CD2 4.3Å; F900-L968 HydrophobicContact CD1-CD1 4.44Å; F900-L968 HydrophobicContact CD1-CD2 3.76Å; F900-L968 HydrophobicContact CD2-CD2 4.4Å; F900-L968 HydrophobicContact CE1-CD2 4Å; F900-L968 HydrophobicContact CG-CD2 3.97Å; F900-L968 HydrophobicContact CZ-CD2 4.31Å; F909-L968 HydrophobicContact CD1-CD1 4.35Å; F909-L968 HydrophobicContact CD2-CB 4.1Å; F909-L968 HydrophobicContact CE1-CB 4.47Å; F909-L968 HydrophobicContact CE1-CD1 4.17Å; F909-L968 HydrophobicContact CE2-CB 3.74Å; F909-L968 HydrophobicContact CE2-CD1 4.43Å; F909-L968 HydrophobicContact CE2-CG 4.48Å; F909-L968 WeakPolarHBondContact CE2-O 3.48Å; F909-L968 HydrophobicContact CZ-CB 3.88Å; F909-L968 HydrophobicContact CZ-CD1 4.22Å; F909-L968 HydrophobicContact CZ-CD2 4.32Å; F909-L968 HydrophobicContact CZ-CG 4.39Å; F914-L968 HydrophobicContact CE2-CD1 3.67Å; F914-L968 HydrophobicContact CZ-CD1 4.3Å; M964-L968 HydrophobicContact CG-CD1 4.19Å; M964-L968 WeakPolarHBondContact O-CB 3.38Å; M964-L968 WeakPolarHBondContact O-CD1 3.44Å; M964-L968 VanDerWaalsContact O-CG 3.28Å; M964-L968 WeakPolarHBondContact O-CG 3.42Å; M964-L968 PolarHBondContact O-N 3.29Å; M964-L968 VanDerWaalsContact O-N 3.13Å; H965-L968 CarbonylContact O-C 3.52Å; H965-L968 WeakPolarHBondContact O-CA 3.34Å; H965-L968 PolarHBondContact O-N 3.29Å; H965-L968 VanDerWaalsContact O-N 3.1Å; Q966-L968 VanDerWaalsContact C-N 3.28Å; Q966-L968 PolarHBondContact O-N 3.22Å; Q966-L968 VanDerWaalsContact O-N 3.16Å; L968-L971 HydrophobicContact CD2-CD1 4.21Å; L968-L971 PolarHBondContact O-N 3.05Å; L968-I972 WeakPolarHBondContact O-CG1 3.32Å; L968-I972 PolarHBondContact O-N 3.15Å; L968-I972 VanDerWaalsContact O-N 3.07Å
969M66.8Low59.4Low44.25 Ų44.2575.4 Ų75.422%0.21839%0.385CS..Hα-helixtrans-68-46.9169.4-66.5-72.5103.200110.5F909 F914 H965 Q966 L971 I972 D973F909-M969 HydrophobicContact CD2-CE 3.41Å; F909-M969 VanDerWaalsContact CD2-CE 3.48Å; F909-M969 HydrophobicContact CE2-CE 3.56Å; F909-M969 VanDerWaalsContact CE2-CE 3.46Å; F914-M969 HydrophobicContact CE1-CE 4.39Å; F914-M969 HydrophobicContact CZ-CE 4.29Å; H965-M969 VanDerWaalsContact CE1-SD 3.58Å; H965-M969 WeakPolarHBondContact O-CG 3.36Å; H965-M969 PolarHBondContact O-N 3.09Å; Q966-M969 WeakPolarHBondContact O-CB 3.5Å; Q966-M969 PolarHBondContact O-N 3.12Å; Q966-M969 VanDerWaalsContact O-N 3.15Å; M969-L971 PolarHBondContact O-N 3.24Å; M969-L971 VanDerWaalsContact O-N 3.11Å; M969-I972 HydrophobicContact CE-CD1 3.81Å; M969-I972 CarbonylContact O-C 3.58Å; M969-I972 WeakPolarHBondContact O-CA 3.44Å; M969-I972 WeakPolarHBondContact O-CB 3.38Å; M969-I972 PolarHBondContact O-N 3.01Å; M969-I972 HydrophobicContact SD-CD1 4.48Å; M969-D973 WeakPolarHBondContact O-CB 3.4Å; M969-D973 VanDerWaalsContact O-CG 3.29Å; M969-D973 PolarHBondContact O-N 3.14Å; M969-D973 VanDerWaalsContact O-N 3.07Å
970E64.9Low58.5Low80.75 Ų80.7576.3 Ų76.338%0.37739%0.389SS..Hα-helixtrans-56.7-34.3173.9-71.7165.1-172.400112.4Q966 H967 I972 D973 S974 S1020 S1021Q966-E970 HydrophobicContact CG-CG 4.42Å; Q966-E970 WeakPolarHBondContact CG-OE1 3.41Å; Q966-E970 PolarHBondContact NE2-OE1 3.38Å; Q966-E970 WeakPolarHBondContact O-CB 3.32Å; Q966-E970 VanDerWaalsContact O-CG 3.27Å; Q966-E970 WeakPolarHBondContact O-CG 3.38Å; Q966-E970 PolarHBondContact O-N 3.13Å; H967-E970 WeakPolarHBondContact CA-OE2 3.46Å; H967-E970 IonicContact CE1-OE2 3.15Å; H967-E970 IonicContact CG-OE2 3.34Å; H967-E970 IonicContact ND1-OE1 3.73Å; H967-E970 IonicContact ND1-OE2 3.38Å; H967-E970 PolarHBondContact ND1-OE2 3.1Å; E970-I972 VanDerWaalsContact C-N 3.32Å; E970-I972 PolarHBondContact O-N 2.84Å; E970-D973 PolarHBondContact O-N 3.29Å; E970-S974 VanDerWaalsContact O-CB 3.25Å; E970-S974 WeakPolarHBondContact O-CB 3.45Å; E970-S974 PolarHBondContact O-N 3.01Å; E970-S974 PolarHBondContact O-OG 3.04Å; E970-S1020 VanDerWaalsContact CD-C 3.44Å; E970-S1020 VanDerWaalsContact OE1-O 3.07Å; E970-S1021 PolarHBondContact OE2-N 3.43Å
971L60.9Low57.7Low61.75 Ų61.7572.4 Ų72.432%0.32338%0.379SS..Hα-helixtrans-71.3-31.1174.7-79.4167.5000113.2H967 L968 M969 S974 I976 I978H967-L971 WeakPolarHBondContact O-CB 3.33Å; H967-L971 WeakPolarHBondContact O-CD1 3.39Å; H967-L971 VanDerWaalsContact O-CG 3.25Å; H967-L971 WeakPolarHBondContact O-CG 3.46Å; H967-L971 PolarHBondContact O-N 3.11Å; L968-L971 HydrophobicContact CD2-CD1 4.21Å; L968-L971 PolarHBondContact O-N 3.05Å; M969-L971 PolarHBondContact O-N 3.24Å; M969-L971 VanDerWaalsContact O-N 3.11Å; L971-S974 WeakPolarHBondContact CA-OG 3.21Å; L971-S974 PolarHBondContact O-N 2.88Å; L971-S974 PolarHBondContact O-OG 3Å; L971-I976 HydrophobicContact CB-CD1 4.27Å; L971-I976 HydrophobicContact CD2-CD1 3.73Å; L971-I976 WeakPolarHBondContact O-CD1 3.43Å; L971-I976 WeakPolarHBondContact O-CG1 3.49Å; L971-I978 HydrophobicContact CD1-CD1 4.32Å; L971-I978 HydrophobicContact CD2-CD1 4.38Å
972I60.9Low56.8Low46 Ų4675.9 Ų75.924%0.23639%0.394CS..Hα-helixtrans-72.5-44173.7-69.6164.3000110.2V885 L891 H898 F909 L968 M969 E970 S974 N975 I978V885-I972 HydrophobicContact CG2-CG2 4.47Å; L891-I972 HydrophobicContact CD2-CD1 4.14Å; L891-I972 HydrophobicContact CD2-CG1 4.01Å; H898-I972 HydrophobicContact CB-CD1 4.3Å; H898-I972 VanDerWaalsContact CD2-CD1 3.47Å; H898-I972 WeakPolarHBondContact CD2-CD1 3.17Å; F909-I972 HydrophobicContact CD2-CD1 4.44Å; F909-I972 HydrophobicContact CE2-CD1 3.6Å; F909-I972 VanDerWaalsContact CE2-CD1 3.47Å; F909-I972 HydrophobicContact CE2-CG1 4.31Å; F909-I972 HydrophobicContact CZ-CD1 4.07Å; F909-I972 HydrophobicContact CZ-CG1 4.37Å; L968-I972 WeakPolarHBondContact O-CG1 3.32Å; L968-I972 PolarHBondContact O-N 3.15Å; L968-I972 VanDerWaalsContact O-N 3.07Å; M969-I972 HydrophobicContact CE-CD1 3.81Å; M969-I972 CarbonylContact O-C 3.58Å; M969-I972 WeakPolarHBondContact O-CA 3.44Å; M969-I972 WeakPolarHBondContact O-CB 3.38Å; M969-I972 PolarHBondContact O-N 3.01Å; M969-I972 HydrophobicContact SD-CD1 4.48Å; E970-I972 VanDerWaalsContact C-N 3.32Å; E970-I972 PolarHBondContact O-N 2.84Å; I972-S974 VanDerWaalsContact C-N 3.27Å; I972-S974 PolarHBondContact O-N 3.12Å; I972-N975 PolarHBondContact O-N 3.25Å; I972-I978 HydrophobicContact CG2-CD1 4.32Å
973D57.9Low55.4Low116.25 Ų116.2582 Ų8262%0.62242%0.418SS*.Hα-helixtrans-66.9-20179.6-69.2-27.4000113.4M969 E970 N975 T1018M969-D973 WeakPolarHBondContact O-CB 3.4Å; M969-D973 VanDerWaalsContact O-CG 3.29Å; M969-D973 PolarHBondContact O-N 3.14Å; M969-D973 VanDerWaalsContact O-N 3.07Å; E970-D973 PolarHBondContact O-N 3.29Å; D973-N975 VanDerWaalsContact C-N 3.27Å; D973-N975 PolarHBondContact O-N 3.12Å; D973-N975 VanDerWaalsContact O-N 3.12Å; D973-T1018 HydrophobicContact CB-CG2 4.11Å; D973-T1018 VanDerWaalsContact OD2-CA 3.23Å; D973-T1018 WeakPolarHBondContact OD2-CA 3.36Å; D973-T1018 PolarHBondContact OD2-N 3.44Å
974S52.1Low53.9Low59.75 Ų59.7581.8 Ų81.842%0.41843%0.429SS..THydrogen-bonded Turntrans-89.813.1-177.458.90000115.4E970 L971 I972 I976E970-S974 VanDerWaalsContact O-CB 3.25Å; E970-S974 WeakPolarHBondContact O-CB 3.45Å; E970-S974 PolarHBondContact O-N 3.01Å; E970-S974 PolarHBondContact O-OG 3.04Å; L971-S974 WeakPolarHBondContact CA-OG 3.21Å; L971-S974 PolarHBondContact O-N 2.88Å; L971-S974 PolarHBondContact O-OG 3Å; I972-S974 VanDerWaalsContact C-N 3.27Å; I972-S974 PolarHBondContact O-N 3.12Å; S974-I976 VanDerWaalsContact C-N 3.3Å; S974-I976 WeakPolarHBondContact O-CG1 3.39Å; S974-I976 PolarHBondContact O-N 3.38Å
975N44.4Very low52.3Low143.75 Ų143.7586 Ų8677%0.76946%0.456SS*.THydrogen-bonded Turntrans56.427.6176.9-87-24.9000115.3I972 D973 T977I972-N975 PolarHBondContact O-N 3.25Å; D973-N975 VanDerWaalsContact C-N 3.27Å; D973-N975 PolarHBondContact O-N 3.12Å; D973-N975 VanDerWaalsContact O-N 3.12Å; N975-T977 PolarHBondContact O-N 3.2Å; N975-T977 VanDerWaalsContact O-N 3.11Å
976I48.7Very low50.4Low85.25 Ų85.2592.2 Ų92.244%0.43749%0.49SS..  trans-75.2126.3176.4-60.9177.3000109.8L891 L971 S974 I978L891-I976 HydrophobicContact CB-CG2 4.26Å; L891-I976 HydrophobicContact CD2-CB 4.48Å; L891-I976 HydrophobicContact CD2-CG2 4.21Å; L971-I976 HydrophobicContact CB-CD1 4.27Å; L971-I976 HydrophobicContact CD2-CD1 3.73Å; L971-I976 WeakPolarHBondContact O-CD1 3.43Å; L971-I976 WeakPolarHBondContact O-CG1 3.49Å; S974-I976 VanDerWaalsContact C-N 3.3Å; S974-I976 WeakPolarHBondContact O-CG1 3.39Å; S974-I976 PolarHBondContact O-N 3.38Å; I976-I978 WeakPolarHBondContact O-CG1 3.38Å; I976-I978 PolarHBondContact O-N 2.95Å
977T43.8Very low48.4Very low122.75 Ų122.7594.3 Ų94.375%0.75351%0.509SS*.  trans-65.1110.3175.141.30000111.3N975 T979 P980N975-T977 PolarHBondContact O-N 3.2Å; N975-T977 VanDerWaalsContact O-N 3.11Å; T977-T979 PolarHBondContact O-N 2.82Å; T977-P980 WeakPolarHBondContact O-CD 3.4Å
978I48.2Very low46.5Very low62.75 Ų62.7598.6 Ų98.632%0.32253%0.529SS..EExtended strand (participates in β ladder)trans-81.496.7178.5-60.8174.9000110L891 N893 L971 I972 I976 P980 L981L891-I978 HydrophobicContact CB-CD1 4Å; L891-I978 HydrophobicContact CD2-CD1 4.21Å; L891-I978 HydrophobicContact CD2-CG1 4.07Å; L891-I978 HydrophobicContact CG-CD1 4.49Å; L891-I978 HydrophobicContact CG-CG1 4.42Å; N893-I978 HydrophobicContact CB-CG2 3.59Å; L971-I978 HydrophobicContact CD1-CD1 4.32Å; L971-I978 HydrophobicContact CD2-CD1 4.38Å; I972-I978 HydrophobicContact CG2-CD1 4.32Å; I976-I978 WeakPolarHBondContact O-CG1 3.38Å; I976-I978 PolarHBondContact O-N 2.95Å; I978-P980 WeakPolarHBondContact O-CD 3.37Å; I978-L981 HydrophobicContact CG2-CD1 4.21Å; I978-L981 PolarHBondContact O-N 3.19Å
979T46.9Very low44.5Very low76 Ų76103.8 Ų103.847%0.46656%0.562SS.*EExtended strand (participates in β ladder)trans-75.1119.4177.445.90000112.8L891 Y892 N893 T977 L981L891-T979 PolarHBondContact O-N 3.02Å; L891-T979 PolarHBondContact O-OG1 3.13Å; Y892-T979 CarbonylContact C-O 3.42Å; Y892-T979 WeakPolarHBondContact CA-O 3.4Å; Y892-T979 WeakPolarHBondContact CD1-OG1 3.36Å; Y892-T979 WeakPolarHBondContact CE1-OG1 3.35Å; N893-T979 PolarHBondContact N-O 3.09Å; T977-T979 PolarHBondContact O-N 2.82Å; T979-L981 PolarHBondContact O-N 3.11Å
980P43.7Very low42.6Very low90 Ų90107.5 Ų107.558%0.58459%0.587SS**EExtended strand (participates in β ladder)trans-74116.6173.630.5-33.5000110.9T977 I978 F982T977-P980 WeakPolarHBondContact O-CD 3.4Å; I978-P980 WeakPolarHBondContact O-CD 3.37Å; P980-F982 VanDerWaalsContact C-N 3.3Å; P980-F982 PolarHBondContact O-N 3.09Å; P980-F982 VanDerWaalsContact O-N 3.1Å
981L44.5Very low40.7Very low60.5 Ų60.5111.8 Ų111.832%0.31761%0.607SS.*SBendtrans-76.1-10.9-171.9-138120.5000113.3Y892 N893 W894 F899 I978 T979 I1016 A1032 V1101 F1103Y892-L981 VanDerWaalsContact CB-CD1 3.49Å; Y892-L981 HydrophobicContact CD1-CD1 4.01Å; Y892-L981 HydrophobicContact CD2-CD1 4.07Å; Y892-L981 HydrophobicContact CG-CD1 3.76Å; N893-L981 WeakPolarHBondContact O-CB 3.3Å; N893-L981 PolarHBondContact O-N 3.07Å; W894-L981 HydrophobicContact CB-CB 4.06Å; W894-L981 HydrophobicContact CB-CD2 4.15Å; W894-L981 HydrophobicContact CG-CD2 4.29Å; F899-L981 HydrophobicContact CD1-CD2 4.38Å; F899-L981 HydrophobicContact CD2-CD2 3.89Å; F899-L981 HydrophobicContact CE1-CD2 4.11Å; F899-L981 HydrophobicContact CE2-CD2 3.62Å; F899-L981 HydrophobicContact CG-CD2 4.29Å; F899-L981 HydrophobicContact CZ-CD2 3.74Å; I978-L981 HydrophobicContact CG2-CD1 4.21Å; I978-L981 PolarHBondContact O-N 3.19Å; T979-L981 PolarHBondContact O-N 3.11Å; L981-I1016 HydrophobicContact CD1-CD1 3.92Å; L981-A1032 HydrophobicContact CD2-CB 3.83Å; L981-V1101 HydrophobicContact CD1-CB 4Å; L981-V1101 HydrophobicContact CD1-CG1 4.02Å; L981-V1101 HydrophobicContact CD1-CG2 3.78Å; L981-V1101 HydrophobicContact CD2-CB 4.28Å; L981-V1101 HydrophobicContact CD2-CG1 4.29Å; L981-V1101 HydrophobicContact CD2-CG2 3.68Å; L981-V1101 HydrophobicContact CG-CG2 4.02Å; L981-V1101 WeakPolarHBondContact O-CG2 3.4Å; L981-F1103 HydrophobicContact CD1-CE2 3.82Å; L981-F1103 HydrophobicContact CD1-CZ 3.81Å; L981-F1103 HydrophobicContact CD2-CZ 4.47Å
982F45Very low38.9Very low93 Ų93114.3 Ų114.341%0.40863%0.625SS.*SBendtrans-129.7104.5175.3-62.6-79.7000110.4A889 W894 P980 D984 L1014 V1101 L1110 V1119A889-F982 HydrophobicContact CB-CB 4.09Å; A889-F982 HydrophobicContact CB-CD1 3.96Å; A889-F982 HydrophobicContact CB-CD2 3.48Å; A889-F982 VanDerWaalsContact CB-CD2 3.48Å; A889-F982 HydrophobicContact CB-CE1 4.21Å; A889-F982 HydrophobicContact CB-CE2 3.77Å; A889-F982 HydrophobicContact CB-CG 3.58Å; A889-F982 HydrophobicContact CB-CZ 4.13Å; A889-F982 WeakPolarHBondContact O-CD2 3.26Å; W894-F982 AromaticContact CD1-CD2 3.72Å; W894-F982 HydrophobicContact CG-CD2 4.23Å; W894-F982 HydrophobicContact CG-CE2 4.23Å; W894-F982 AromaticContact NE1-CE2 3.9Å; P980-F982 VanDerWaalsContact C-N 3.3Å; P980-F982 PolarHBondContact O-N 3.09Å; P980-F982 VanDerWaalsContact O-N 3.1Å; F982-D984 PolarHBondContact O-N 2.89Å; F982-L1014 HydrophobicContact CD1-CD1 3.9Å; F982-L1014 HydrophobicContact CE1-CD1 4.29Å; F982-V1101 HydrophobicContact CD1-CG2 4.49Å; F982-V1101 HydrophobicContact CE1-CG2 4.15Å; F982-V1101 HydrophobicContact CE2-CG2 3.9Å; F982-V1101 HydrophobicContact CZ-CG2 3.23Å; F982-L1110 HydrophobicContact CD2-CD1 4.48Å; F982-L1110 HydrophobicContact CE1-CB 4.47Å; F982-L1110 HydrophobicContact CE2-CD1 4.03Å; F982-L1110 HydrophobicContact CZ-CB 4.25Å; F982-L1110 HydrophobicContact CZ-CD1 4.44Å; F982-V1119 HydrophobicContact CE2-CG2 3.76Å; F982-V1119 HydrophobicContact CZ-CG2 4.18Å
983K37.3Very low37.2Very low175 Ų175117.6 Ų117.676%0.76165%0.647SS**  trans-89.7122.2163.6-76.8-171.4173.3-171.50107.9V985K983-V985 PolarHBondContact O-N 3.08Å
984D33.2Very low35.8Very low150.25 Ų150.25120.2 Ų120.280%0.80366%0.655SS**  trans-63.8138.8163.8-67.1-48000108.8F982 D986F982-D984 PolarHBondContact O-N 2.89Å; D984-D986 PolarHBondContact O-N 3.27Å
985V30.4Very low34.6Very low130.5 Ų130.5123.7 Ų123.779%0.79167%0.67SS**  trans-105.297.8-179.1-179.40000107.5K983 T987K983-V985 PolarHBondContact O-N 3.08Å; V985-T987 HydrophobicContact CG1-CG2 3.9Å; V985-T987 PolarHBondContact O-N 2.83Å
986D27.9Very low33.8Very low147 Ų147123.5 Ų123.579%0.78667%0.668SS**  trans-75.9120.3170.6-70.2-49.6000110.3D984 E988D984-D986 PolarHBondContact O-N 3.27Å; D986-E988 PolarHBondContact O-N 3.23Å
987T27.2Very low32.7Very low128.25 Ų128.25128.3 Ų128.379%0.78769%0.689SS**  trans-59.3109.1167.549.20000113.5V985V985-T987 HydrophobicContact CG1-CG2 3.9Å; V985-T987 PolarHBondContact O-N 2.83Å
988E25.8Very low31.9Very low175 Ų175125.8 Ų125.882%0.81869%0.688SS**  trans-56.4121166.5-64.3178.5157.700113.5D986 V990D986-E988 PolarHBondContact O-N 3.23Å; E988-V990 PolarHBondContact O-N 3.06Å
989T24.6Very low30.8Very low130.25 Ų130.25132.9 Ų132.980%0.79971%0.711SS**  trans-27.8106.3139.153.80000114.5Q991T989-Q991 PolarHBondContact O-N 3.35Å
990V26Very low29.8Very low123.5 Ų123.5134.9 Ų134.975%0.74872%0.715SS**  trans-4.8106.7150.2179.50000113.6E988E988-V990 PolarHBondContact O-N 3.06Å
991Q25.2Very low29Very low171 Ų171137.7 Ų137.780%0.79972%0.72SS**  trans-11.9123.3152.7-75.7173.9-9.600115.5T989T989-Q991 PolarHBondContact O-N 3.35Å
992T24.3Very low28Very low114 Ų114139.6 Ų139.670%0.69973%0.734SS**  trans153.2143143.343.60000113.8
993T25.1Very low27.2Very low114.75 Ų114.75141.5 Ų141.570%0.70475%0.749SS**  124.7128.596.238.60000115.1
994E27.2Very low26.6Very low170 Ų170140.6 Ų140.679%0.79475%0.747SS**  trans46.4143.7130.7-68.6168.2171.600116.3
995N26.8Very low26.3Very low135 Ų135140.4 Ų140.472%0.72275%0.745SS**  trans151.3137.5142.5-68.6-15.8000114
996D27.2Very low26.1Very low138 Ų138140.5 Ų140.574%0.73874%0.742SS**  134.5147.2117.6-81.5-21.2000117.2
997E26.2Very low26.1Very low187 Ų187138.7 Ų138.787%0.87474%0.74SS**  trans47.6149.6164.9-77-167.4165.200118.2
998G27.8Very low26Very low70.75 Ų70.75137.9 Ų137.973%0.72974%0.735SS**  trans132.785.3165.500000114
999R24.6Very low26Very low211.25 Ų211.25138.4 Ų138.480%0.79773%0.734SS**  34.9135.6115.6-103.6178.1125.21401.4113.9
1000E26.3Very low26.1Very low118.75 Ų118.75141 Ų14156%0.55574%0.735SS**  98.4130.9128-89.9174.3-159.600118
1001Q26.8Very low26.1Very low147.8 Ų147.8142.8 Ų142.869%0.69174%0.735SS**  trans78.8116.1134.6-72.3-177.852.200119.9
1002T23.9Very low26.1Very low100.2 Ų100.2140.4 Ų140.462%0.61573%0.732SS**  94121.391.567.20000118.5Q1004T1002-Q1004 VanDerWaalsContact C-CG 3.43Å; T1002-Q1004 VanDerWaalsContact CB-CD 3.43Å; T1002-Q1004 HydrophobicContact CG2-CG 3.58Å; T1002-Q1004 VanDerWaalsContact N-CG 3.29Å
1003N26.5Very low26.3Very low133.8 Ų133.8142.3 Ų142.372%0.71673%0.733SS**  trans94.6107.9143.4-65-20.2000118.8
1004Q25.6Very low26.4Very low156.4 Ų156.4143.1 Ų143.173%0.73173%0.732SS**  86.1115.9114.8-71.2175.516.300114.7T1002T1002-Q1004 VanDerWaalsContact C-CG 3.43Å; T1002-Q1004 VanDerWaalsContact CB-CD 3.43Å; T1002-Q1004 HydrophobicContact CG2-CG 3.58Å; T1002-Q1004 VanDerWaalsContact N-CG 3.29Å
1005L26.5Very low26.4Very low145.6 Ų145.6140.8 Ų140.876%0.76273%0.725SS**  122.4133.7102.3-145.563000115.5
1006D26.7Very low26.6Very low133 Ų133140.2 Ų140.271%0.71172%0.721SS**  trans39.6126.1146.4-68.2-34.5000120.5
1007S26.6Very low26.6Very low108.2 Ų108.2139.7 Ų139.776%0.75772%0.717SS**  179.9138.9125.570.40000111.9K1009S1007-K1009 VanDerWaalsContact C-N 3.28Å; S1007-K1009 PolarHBondContact O-N 3.1Å
1008V26.3Very low26.6Very low112 Ų112135.1 Ų135.168%0.67970%0.703SS**  trans-119.3109.7169.4156.90000112.4K1010V1008-K1010 HydrophobicContact CG1-CB 4.03Å; V1008-K1010 HydrophobicContact CG1-CD 3.89Å; V1008-K1010 HydrophobicContact CG1-CG 3.53Å; V1008-K1010 PolarHBondContact O-N 3.08Å
1009K25.9Very low26.7Very low184.6 Ų184.6139.8 Ų139.880%0.80371%0.705SS**  trans22.8112.9153.2-65.1171.6-168.8165.40114.2S1007 Q1011S1007-K1009 VanDerWaalsContact C-N 3.28Å; S1007-K1009 PolarHBondContact O-N 3.1Å; K1009-Q1011 PolarHBondContact O-N 3.08Å
1010K26.3Very low26.8Very low184.6 Ų184.6133.3 Ų133.380%0.80369%0.692SS**  -133.2118.6120.5-97.9174.5179.7-1770111.1V1008 T1012V1008-K1010 HydrophobicContact CG1-CB 4.03Å; V1008-K1010 HydrophobicContact CG1-CD 3.89Å; V1008-K1010 HydrophobicContact CG1-CG 3.53Å; V1008-K1010 PolarHBondContact O-N 3.08Å; K1010-T1012 PolarHBondContact O-N 3.39Å; K1010-T1012 VanDerWaalsContact O-N 3.1Å
1011Q25.4Very low27Very low162.6 Ų162.6131.4 Ų131.476%0.7669%0.692SS**  trans-79.9118150.6-88.7176.1-33.900109.8K1009 Q1013K1009-Q1011 PolarHBondContact O-N 3.08Å; Q1011-Q1013 PolarHBondContact O-N 3.05Å
1012T26.9Very low27.2Very low119.6 Ų119.6130.9 Ų130.973%0.73469%0.693SS**  trans-126.5111.7159.17.70000110.7K1010 L1014K1010-T1012 PolarHBondContact O-N 3.39Å; K1010-T1012 VanDerWaalsContact O-N 3.1Å; T1012-L1014 PolarHBondContact O-N 2.65Å
1013Q27Very low27.5Very low155 Ų155130 Ų13072%0.72469%0.691SS**  trans-35118.6163.2-67.5174.5-1900113.3Q1011 N1015Q1011-Q1013 PolarHBondContact O-N 3.05Å; Q1013-N1015 VanDerWaalsContact C-N 3.3Å; Q1013-N1015 PolarHBondContact O-N 2.69Å
1014L26.8Very low27.7Very low131.2 Ų131.2128.9 Ų128.969%0.68769%0.685SS**  trans-102.6112.3144.3-121.6127.6000110.1F982 T1012 I1016F982-L1014 HydrophobicContact CD1-CD1 3.9Å; F982-L1014 HydrophobicContact CE1-CD1 4.29Å; T1012-L1014 PolarHBondContact O-N 2.65Å; L1014-I1016 VanDerWaalsContact C-N 3.34Å; L1014-I1016 HydrophobicContact CB-CG1 4.27Å; L1014-I1016 HydrophobicContact CD2-CD1 4.05Å; L1014-I1016 HydrophobicContact CD2-CG1 4.13Å; L1014-I1016 HydrophobicContact CG-CD1 3.94Å; L1014-I1016 HydrophobicContact CG-CG1 4.11Å; L1014-I1016 PolarHBondContact O-N 2.91Å; L1014-I1016 VanDerWaalsContact O-N 3.12Å
1015N27.5Very low28Very low120.8 Ų120.8126.6 Ų126.665%0.64668%0.678SS**  trans-39.6104.8156.7-72.6-16.2000112.8Q1013 L1017 S1102Q1013-N1015 VanDerWaalsContact C-N 3.3Å; Q1013-N1015 PolarHBondContact O-N 2.69Å; N1015-L1017 PolarHBondContact O-N 2.92Å; N1015-L1017 VanDerWaalsContact O-N 3.09Å; N1015-S1102 PolarHBondContact OD1-OG 2.91Å; N1015-S1102 VanDerWaalsContact OD1-OG 3.06Å
1016I30.8Very low28.2Very low124 Ų124126.6 Ų126.664%0.63667%0.674SS**  trans-131.193.8143.2-84.1155.7000109.4Y892 L981 L1014Y892-I1016 HydrophobicContact CE1-CD1 4.13Å; Y892-I1016 HydrophobicContact CE2-CD1 4.42Å; Y892-I1016 HydrophobicContact CE2-CG2 4.2Å; Y892-I1016 VanDerWaalsContact OH-CG2 3.23Å; Y892-I1016 WeakPolarHBondContact OH-CG2 3.44Å; L981-I1016 HydrophobicContact CD1-CD1 3.92Å; L1014-I1016 VanDerWaalsContact C-N 3.34Å; L1014-I1016 HydrophobicContact CB-CG1 4.27Å; L1014-I1016 HydrophobicContact CD2-CD1 4.05Å; L1014-I1016 HydrophobicContact CD2-CG1 4.13Å; L1014-I1016 HydrophobicContact CG-CD1 3.94Å; L1014-I1016 HydrophobicContact CG-CG1 4.11Å; L1014-I1016 PolarHBondContact O-N 2.91Å; L1014-I1016 VanDerWaalsContact O-N 3.12Å
1017L28Very low28.5Very low125.6 Ų125.6122.7 Ų122.766%0.65866%0.66SS**  trans-175.697.2149.8-73.4158.8000113.7N1015N1015-L1017 PolarHBondContact O-N 2.92Å; N1015-L1017 VanDerWaalsContact O-N 3.09Å
1018T27.2Very low29Very low91.8 Ų91.8119.8 Ų119.856%0.56364%0.639SS**  trans-70.4130.8130.559.50000112.5D973 S1020 S1021D973-T1018 HydrophobicContact CB-CG2 4.11Å; D973-T1018 VanDerWaalsContact OD2-CA 3.23Å; D973-T1018 WeakPolarHBondContact OD2-CA 3.36Å; D973-T1018 PolarHBondContact OD2-N 3.44Å; T1018-S1020 PolarHBondContact O-N 2.89Å; T1018-S1020 VanDerWaalsContact O-N 3.1Å; T1018-S1021 PolarHBondContact O-N 3.28Å; T1018-S1021 PolarHBondContact O-OG 3.34Å
1019H28.1Very low29.5Very low168 Ų168118.8 Ų118.878%0.77863%0.627SS**  trans-115.239.9164.1-74.1-80.9000115.6
1020S28.5Very low30.2Very low76.4 Ų76.4114 Ų11453%0.53461%0.61SS.*  trans-110.433.8166.859.70000115.7E970 T1018 L1022 S1023 N1024E970-S1020 VanDerWaalsContact CD-C 3.44Å; E970-S1020 VanDerWaalsContact OE1-O 3.07Å; T1018-S1020 PolarHBondContact O-N 2.89Å; T1018-S1020 VanDerWaalsContact O-N 3.1Å; S1020-L1022 VanDerWaalsContact C-N 3.31Å; S1020-L1022 PolarHBondContact O-N 3.44Å; S1020-S1023 WeakPolarHBondContact CA-OG 3.32Å; S1020-S1023 PolarHBondContact O-N 2.75Å; S1020-S1023 VanDerWaalsContact O-N 3.16Å; S1020-S1023 PolarHBondContact O-OG 2.88Å; S1020-N1024 WeakPolarHBondContact CB-OD1 3.33Å; S1020-N1024 PolarHBondContact O-N 3.01Å; S1020-N1024 PolarHBondContact OG-ND2 3.06Å
1021S30.2Very low30.8Very low78.4 Ų78.4109.5 Ų109.555%0.54860%0.595SS.*  trans-7099.1166.454.70000114.8E970 T1018 S1023 N1024 L1025E970-S1021 PolarHBondContact OE2-N 3.43Å; T1018-S1021 PolarHBondContact O-N 3.28Å; T1018-S1021 PolarHBondContact O-OG 3.34Å; S1021-S1023 VanDerWaalsContact C-N 3.3Å; S1021-S1023 PolarHBondContact O-N 2.97Å; S1021-N1024 WeakPolarHBondContact O-CB 3.43Å; S1021-N1024 PolarHBondContact O-N 3.21Å; S1021-N1024 VanDerWaalsContact O-N 3.17Å; S1021-N1024 PolarHBondContact OG-ND2 3.47Å; S1021-L1025 PolarHBondContact O-N 3.11Å
1022L29.6Very low31.4Very low136.6 Ų136.6103 Ų10372%0.71557%0.569SS**THydrogen-bonded Turntrans-45.2-34.5-178.5-112.774.6000114.8S1020 N1024 L1025 E1026S1020-L1022 VanDerWaalsContact C-N 3.31Å; S1020-L1022 PolarHBondContact O-N 3.44Å; L1022-N1024 VanDerWaalsContact C-N 3.3Å; L1022-N1024 PolarHBondContact O-N 2.95Å; L1022-N1024 VanDerWaalsContact O-N 3.15Å; L1022-L1025 WeakPolarHBondContact O-CB 3.48Å; L1022-L1025 PolarHBondContact O-N 2.91Å; L1022-L1025 VanDerWaalsContact O-N 3.12Å; L1022-E1026 PolarHBondContact O-N 3.42Å
1023S31Very low32.1Very low80.8 Ų80.8104.1 Ų104.157%0.56556%0.56SS**Hα-helixtrans-79.9-27175.459.50000114S1020 S1021 L1025 E1026 A1027S1020-S1023 WeakPolarHBondContact CA-OG 3.32Å; S1020-S1023 PolarHBondContact O-N 2.75Å; S1020-S1023 VanDerWaalsContact O-N 3.16Å; S1020-S1023 PolarHBondContact O-OG 2.88Å; S1021-S1023 VanDerWaalsContact C-N 3.3Å; S1021-S1023 PolarHBondContact O-N 2.97Å; S1023-L1025 VanDerWaalsContact C-N 3.29Å; S1023-L1025 PolarHBondContact O-N 3.34Å; S1023-E1026 PolarHBondContact O-N 2.91Å; S1023-A1027 VanDerWaalsContact O-CB 3.22Å; S1023-A1027 WeakPolarHBondContact O-CB 3.38Å; S1023-A1027 PolarHBondContact O-N 3.35Å
1024N31.7Very low32.8Very low111.6 Ų111.6104.8 Ų104.860%0.59756%0.556SS**Hα-helixtrans-77.9-6.8-179.9-76.3-25.5000114.1S1020 S1021 L1022 E1026 A1027 S1028S1020-N1024 WeakPolarHBondContact CB-OD1 3.33Å; S1020-N1024 PolarHBondContact O-N 3.01Å; S1020-N1024 PolarHBondContact OG-ND2 3.06Å; S1021-N1024 WeakPolarHBondContact O-CB 3.43Å; S1021-N1024 PolarHBondContact O-N 3.21Å; S1021-N1024 VanDerWaalsContact O-N 3.17Å; S1021-N1024 PolarHBondContact OG-ND2 3.47Å; L1022-N1024 VanDerWaalsContact C-N 3.3Å; L1022-N1024 PolarHBondContact O-N 2.95Å; L1022-N1024 VanDerWaalsContact O-N 3.15Å; N1024-E1026 VanDerWaalsContact C-N 3.32Å; N1024-E1026 PolarHBondContact O-N 3.27Å; N1024-A1027 PolarHBondContact O-N 3.08Å; N1024-S1028 VanDerWaalsContact O-CB 3.3Å; N1024-S1028 WeakPolarHBondContact O-CB 3.39Å; N1024-S1028 PolarHBondContact O-N 3.03Å
1025L30.6Very low33.4Very low109 Ų109102.1 Ų102.157%0.57154%0.539SS*.Hα-helixtrans-75.3-28.6-177.8-159.969.8000112.5L887 S1021 L1022 S1023 A1027 S1028 H1029L887-L1025 HydrophobicContact CD1-CD1 4.33Å; L887-L1025 HydrophobicContact CD2-CD1 4.06Å; S1021-L1025 PolarHBondContact O-N 3.11Å; L1022-L1025 WeakPolarHBondContact O-CB 3.48Å; L1022-L1025 PolarHBondContact O-N 2.91Å; L1022-L1025 VanDerWaalsContact O-N 3.12Å; S1023-L1025 VanDerWaalsContact C-N 3.29Å; S1023-L1025 PolarHBondContact O-N 3.34Å; L1025-A1027 VanDerWaalsContact C-N 3.33Å; L1025-A1027 PolarHBondContact O-N 3.09Å; L1025-S1028 WeakPolarHBondContact O-CB 3.35Å; L1025-S1028 PolarHBondContact O-N 3.02Å; L1025-H1029 WeakPolarHBondContact O-CB 3.3Å; L1025-H1029 PolarHBondContact O-CD2 3.17Å; L1025-H1029 PolarHBondContact O-N 3.12Å
1026E31.7Very low34.2Very low145.8 Ų145.8100.9 Ų100.968%0.68153%0.525SS*.Hα-helixtrans-71.1-34.2177.4-82.6-161.7130.100113.1L1022 S1023 N1024 S1028 H1029 N1030L1022-E1026 PolarHBondContact O-N 3.42Å; S1023-E1026 PolarHBondContact O-N 2.91Å; N1024-E1026 VanDerWaalsContact C-N 3.32Å; N1024-E1026 PolarHBondContact O-N 3.27Å; E1026-S1028 VanDerWaalsContact C-N 3.34Å; E1026-S1028 PolarHBondContact O-N 2.77Å; E1026-S1028 VanDerWaalsContact O-N 3.13Å; E1026-H1029 PolarHBondContact O-N 3.13Å; E1026-N1030 VanDerWaalsContact O-CB 3.26Å; E1026-N1030 WeakPolarHBondContact O-CB 3.37Å; E1026-N1030 PolarHBondContact O-N 3.13Å; E1026-N1030 PolarHBondContact O-ND2 2.95Å; E1026-N1030 VanDerWaalsContact O-ND2 3.13Å
1027A33.6Very low34.7Very low51 Ų51104.7 Ų104.742%0.42153%0.531SS..Hα-helixtrans-65.9-34.9176.100000112S1023 N1024 L1025 N1030 N1031S1023-A1027 VanDerWaalsContact O-CB 3.22Å; S1023-A1027 WeakPolarHBondContact O-CB 3.38Å; S1023-A1027 PolarHBondContact O-N 3.35Å; N1024-A1027 PolarHBondContact O-N 3.08Å; L1025-A1027 VanDerWaalsContact C-N 3.33Å; L1025-A1027 PolarHBondContact O-N 3.09Å; A1027-N1030 PolarHBondContact O-N 3.43Å; A1027-N1031 VanDerWaalsContact O-CB 3.22Å; A1027-N1031 WeakPolarHBondContact O-CB 3.41Å; A1027-N1031 VanDerWaalsContact O-CG 3.24Å; A1027-N1031 PolarHBondContact O-N 3.29Å; A1027-N1031 PolarHBondContact O-ND2 2.98Å
1028S36.4Very low35.4Very low46.4 Ų46.4107.2 Ų107.232%0.32453%0.532SS..Hα-helixtrans-64.6-45.7174-179.70000111.9L887 N1024 L1025 E1026 N1030 N1031 A1032L887-S1028 VanDerWaalsContact CD1-CB 3.48Å; L887-S1028 VanDerWaalsContact CD2-OG 3.26Å; L887-S1028 WeakPolarHBondContact CD2-OG 3.47Å; N1024-S1028 VanDerWaalsContact O-CB 3.3Å; N1024-S1028 WeakPolarHBondContact O-CB 3.39Å; N1024-S1028 PolarHBondContact O-N 3.03Å; L1025-S1028 WeakPolarHBondContact O-CB 3.35Å; L1025-S1028 PolarHBondContact O-N 3.02Å; E1026-S1028 VanDerWaalsContact C-N 3.34Å; E1026-S1028 PolarHBondContact O-N 2.77Å; E1026-S1028 VanDerWaalsContact O-N 3.13Å; S1028-N1030 VanDerWaalsContact C-N 3.3Å; S1028-N1030 PolarHBondContact O-N 3.13Å; S1028-N1031 CarbonylContact O-C 3.54Å; S1028-N1031 PolarHBondContact O-N 3.15Å; S1028-N1031 VanDerWaalsContact O-N 3.13Å; S1028-A1032 VanDerWaalsContact O-CB 3.29Å; S1028-A1032 WeakPolarHBondContact O-CB 3.29Å; S1028-A1032 PolarHBondContact O-N 3.3Å
1029H36.8Very low35.9Very low90.8 Ų90.8105.5 Ų105.542%0.4252%0.519SS..Hα-helixtrans-61.9-35.7-179.6-107.4-86.4000113.3H886 L1025 E1026 A1032 R1033H886-H1029 AromaticContact CE1-CE1 3.48Å; H886-H1029 PolarHBondContact CE1-CE1 3.33Å; H886-H1029 VanDerWaalsContact CE1-CE1 3.48Å; H886-H1029 AromaticContact CE1-NE2 3.85Å; H886-H1029 AromaticContact ND1-CE1 3.84Å; H886-H1029 AromaticContact NE2-CE1 3.61Å; L1025-H1029 WeakPolarHBondContact O-CB 3.3Å; L1025-H1029 PolarHBondContact O-CD2 3.17Å; L1025-H1029 PolarHBondContact O-N 3.12Å; E1026-H1029 PolarHBondContact O-N 3.13Å; H1029-A1032 PolarHBondContact O-N 3.1Å; H1029-R1033 WeakPolarHBondContact O-CA 3.27Å; H1029-R1033 VanDerWaalsContact O-CB 3.28Å; H1029-R1033 WeakPolarHBondContact O-CB 3.38Å; H1029-R1033 VanDerWaalsContact O-CG 3.31Å; H1029-R1033 WeakPolarHBondContact O-CG 3.27Å; H1029-R1033 PolarHBondContact O-N 3.03Å
1030N40.5Very low36.3Very low84.4 Ų84.499.6 Ų99.645%0.45150%0.503SS..Hα-helixtrans-76-30.7178.1-76.3-46.2000112.8E1026 A1027 S1028 R1033 R1034E1026-N1030 VanDerWaalsContact O-CB 3.26Å; E1026-N1030 WeakPolarHBondContact O-CB 3.37Å; E1026-N1030 PolarHBondContact O-N 3.13Å; E1026-N1030 PolarHBondContact O-ND2 2.95Å; E1026-N1030 VanDerWaalsContact O-ND2 3.13Å; A1027-N1030 PolarHBondContact O-N 3.43Å; S1028-N1030 VanDerWaalsContact C-N 3.3Å; S1028-N1030 PolarHBondContact O-N 3.13Å; N1030-R1033 PolarHBondContact O-N 3.2Å; N1030-R1033 PolarHBondContact OD1-NH1 2.78Å; N1030-R1034 WeakPolarHBondContact O-CB 3.37Å; N1030-R1034 WeakPolarHBondContact O-CD 3.5Å; N1030-R1034 WeakPolarHBondContact O-CG 3.39Å; N1030-R1034 PolarHBondContact O-N 3.19Å
1031N38.1Very low36.9Very low90.6 Ų90.699.6 Ų99.648%0.48450%0.497SS..Hα-helixtrans-71.3-41.3172.4-77.3-33.6000111.6A1027 S1028 R1033 R1034 F1035A1027-N1031 VanDerWaalsContact O-CB 3.22Å; A1027-N1031 WeakPolarHBondContact O-CB 3.41Å; A1027-N1031 VanDerWaalsContact O-CG 3.24Å; A1027-N1031 PolarHBondContact O-N 3.29Å; A1027-N1031 PolarHBondContact O-ND2 2.98Å; S1028-N1031 CarbonylContact O-C 3.54Å; S1028-N1031 PolarHBondContact O-N 3.15Å; S1028-N1031 VanDerWaalsContact O-N 3.13Å; N1031-R1033 VanDerWaalsContact C-N 3.32Å; N1031-R1033 PolarHBondContact O-N 2.97Å; N1031-R1034 CarbonylContact O-C 3.57Å; N1031-R1034 WeakPolarHBondContact O-CA 3.13Å; N1031-R1034 WeakPolarHBondContact O-CB 3.43Å; N1031-R1034 PolarHBondContact O-N 3.18Å; N1031-R1034 VanDerWaalsContact O-N 3.09Å; N1031-R1034 PolarHBondContact OD1-NH1 3.38Å; N1031-F1035 VanDerWaalsContact O-CB 3.3Å; N1031-F1035 WeakPolarHBondContact O-CB 3.34Å; N1031-F1035 PolarHBondContact O-N 3.12Å
1032A38.4Very low37Very low25.2 Ų25.2105.3 Ų105.321%0.20851%0.506CS..Hα-helixtrans-61.5-39.5173.900000112.3L887 L981 S1028 H1029 R1034 F1035 R1036L887-A1032 HydrophobicContact CB-CB 4.29Å; L981-A1032 HydrophobicContact CD2-CB 3.83Å; S1028-A1032 VanDerWaalsContact O-CB 3.29Å; S1028-A1032 WeakPolarHBondContact O-CB 3.29Å; S1028-A1032 PolarHBondContact O-N 3.3Å; H1029-A1032 PolarHBondContact O-N 3.1Å; A1032-R1034 VanDerWaalsContact C-N 3.32Å; A1032-R1034 PolarHBondContact O-N 3.45Å; A1032-F1035 WeakPolarHBondContact O-CB 3.4Å; A1032-F1035 PolarHBondContact O-N 3.06Å; A1032-F1035 VanDerWaalsContact O-N 3.15Å; A1032-R1036 WeakPolarHBondContact O-CB 3.28Å; A1032-R1036 WeakPolarHBondContact O-CG 3.28Å; A1032-R1036 PolarHBondContact O-N 3.29Å
1033R41.8Very low37.3Very low142.6 Ų142.6106.5 Ų106.554%0.53851%0.508SS..Hα-helixtrans-65.1-38.2172.9-73.5174.4175.3176.80.3112.2H1029 N1030 N1031 F1035 R1036 R1037H1029-R1033 WeakPolarHBondContact O-CA 3.27Å; H1029-R1033 VanDerWaalsContact O-CB 3.28Å; H1029-R1033 WeakPolarHBondContact O-CB 3.38Å; H1029-R1033 VanDerWaalsContact O-CG 3.31Å; H1029-R1033 WeakPolarHBondContact O-CG 3.27Å; H1029-R1033 PolarHBondContact O-N 3.03Å; N1030-R1033 PolarHBondContact O-N 3.2Å; N1030-R1033 PolarHBondContact OD1-NH1 2.78Å; N1031-R1033 VanDerWaalsContact C-N 3.32Å; N1031-R1033 PolarHBondContact O-N 2.97Å; R1033-F1035 VanDerWaalsContact C-N 3.28Å; R1033-F1035 PolarHBondContact O-N 3.21Å; R1033-R1036 PolarHBondContact O-N 2.98Å; R1033-R1037 WeakPolarHBondContact O-CB 3.27Å; R1033-R1037 WeakPolarHBondContact O-CD 3.4Å; R1033-R1037 VanDerWaalsContact O-CG 3.26Å; R1033-R1037 WeakPolarHBondContact O-CG 3.24Å; R1033-R1037 PolarHBondContact O-N 3.16Å
1034R42.7Very low37.2Very low170.8 Ų170.8107.6 Ų107.665%0.64551%0.508SS*.Hα-helixtrans-67.8-32.8173-81.8178.4168.5-169.9-2.6112.2N1030 N1031 A1032 R1038N1030-R1034 WeakPolarHBondContact O-CB 3.37Å; N1030-R1034 WeakPolarHBondContact O-CD 3.5Å; N1030-R1034 WeakPolarHBondContact O-CG 3.39Å; N1030-R1034 PolarHBondContact O-N 3.19Å; N1031-R1034 CarbonylContact O-C 3.57Å; N1031-R1034 WeakPolarHBondContact O-CA 3.13Å; N1031-R1034 WeakPolarHBondContact O-CB 3.43Å; N1031-R1034 PolarHBondContact O-N 3.18Å; N1031-R1034 VanDerWaalsContact O-N 3.09Å; N1031-R1034 PolarHBondContact OD1-NH1 3.38Å; A1032-R1034 VanDerWaalsContact C-N 3.32Å; A1032-R1034 PolarHBondContact O-N 3.45Å; R1034-R1038 VanDerWaalsContact O-CB 3.3Å; R1034-R1038 WeakPolarHBondContact O-CB 3.3Å; R1034-R1038 WeakPolarHBondContact O-CG 3.37Å; R1034-R1038 PolarHBondContact O-N 3.12Å; R1034-R1038 VanDerWaalsContact O-N 3.11Å
1035F39.4Very low37Very low74.2 Ų74.2107.5 Ų107.533%0.32551%0.513SS..Hα-helixtrans-70.1-47.8-180-153.4-95.8000111N895 F900 L905 Q920 M964 N1031 A1032 R1033 R1037 R1038 L1039N895-F1035 HydrophobicContact CB-CZ 4.27Å; N895-F1035 VanDerWaalsContact O-CE1 3.26Å; N895-F1035 WeakPolarHBondContact O-CE1 3.41Å; N895-F1035 WeakPolarHBondContact O-CZ 3.47Å; F900-F1035 HydrophobicContact CZ-CE1 4.47Å; L905-F1035 HydrophobicContact CD1-CD1 3.56Å; L905-F1035 HydrophobicContact CD1-CE1 4.02Å; Q920-F1035 VanDerWaalsContact NE2-CE2 3.27Å; M964-F1035 HydrophobicContact CE-CZ 4.31Å; M964-F1035 HydrophobicContact SD-CE1 4.22Å; M964-F1035 HydrophobicContact SD-CZ 3.53Å; M964-F1035 VanDerWaalsContact SD-CZ 3.53Å; N1031-F1035 VanDerWaalsContact O-CB 3.3Å; N1031-F1035 WeakPolarHBondContact O-CB 3.34Å; N1031-F1035 PolarHBondContact O-N 3.12Å; A1032-F1035 WeakPolarHBondContact O-CB 3.4Å; A1032-F1035 PolarHBondContact O-N 3.06Å; A1032-F1035 VanDerWaalsContact O-N 3.15Å; R1033-F1035 VanDerWaalsContact C-N 3.28Å; R1033-F1035 PolarHBondContact O-N 3.21Å; F1035-R1037 VanDerWaalsContact C-N 3.33Å; F1035-R1037 PolarHBondContact O-N 3.02Å; F1035-R1038 CarbonylContact O-C 3.52Å; F1035-R1038 WeakPolarHBondContact O-CA 3.17Å; F1035-R1038 PolarHBondContact O-N 3.24Å; F1035-R1038 VanDerWaalsContact O-N 3.07Å; F1035-L1039 HydrophobicContact CD1-CD1 3.62Å; F1035-L1039 HydrophobicContact CD1-CG 4.28Å; F1035-L1039 HydrophobicContact CE1-CD1 3.58Å; F1035-L1039 HydrophobicContact CE1-CG 4.2Å; F1035-L1039 HydrophobicContact CG-CD1 4.24Å; F1035-L1039 HydrophobicContact CZ-CD1 4.09Å; F1035-L1039 HydrophobicContact CZ-CG 4.42Å; F1035-L1039 WeakPolarHBondContact O-CB 3.31Å; F1035-L1039 WeakPolarHBondContact O-CG 3.29Å; F1035-L1039 PolarHBondContact O-N 3Å
1036R42.9Very low37Very low94.4 Ų94.4109.6 Ų109.636%0.35652%0.524SS..Hα-helixtrans-55.9-45174.2-74.3-174.2-158.4-167.8-0.6112.4V885 H886 Q904 A1032 R1033 R1038 L1039 G1040 L1041 D1044V885-R1036 VanDerWaalsContact CG1-NH2 3.26Å; V885-R1036 PolarHBondContact O-NE 3.24Å; V885-R1036 PolarHBondContact O-NH2 3.44Å; H886-R1036 PolarHBondContact O-NH2 3.27Å; Q904-R1036 VanDerWaalsContact CB-NH2 3.32Å; A1032-R1036 WeakPolarHBondContact O-CB 3.28Å; A1032-R1036 WeakPolarHBondContact O-CG 3.28Å; A1032-R1036 PolarHBondContact O-N 3.29Å; R1033-R1036 PolarHBondContact O-N 2.98Å; R1036-R1038 VanDerWaalsContact C-N 3.32Å; R1036-R1038 PolarHBondContact O-N 3.34Å; R1036-L1039 CarbonylContact O-C 3.47Å; R1036-L1039 PolarHBondContact O-N 3Å; R1036-L1039 VanDerWaalsContact O-N 3.15Å; R1036-G1040 PolarHBondContact O-N 3.11Å; R1036-G1040 VanDerWaalsContact O-N 3.13Å; R1036-L1041 HydrophobicContact CB-CB 4.29Å; R1036-L1041 HydrophobicContact CG-CB 3.94Å; R1036-L1041 HydrophobicContact CG-CD1 4.13Å; R1036-L1041 PolarHBondContact O-N 3.03Å; R1036-D1044 IonicContact CZ-OD1 2.73Å; R1036-D1044 IonicContact CZ-OD2 3.97Å; R1036-D1044 IonicContact NH1-OD1 3.18Å; R1036-D1044 PolarHBondContact NH1-OD1 3.02Å; R1036-D1044 IonicContact NH1-OD2 2.75Å; R1036-D1044 PolarHBondContact NH1-OD2 2.79Å
1037R42.4Very low36.7Very low205.2 Ų205.2107.8 Ų107.877%0.77453%0.527SS*.Hα-helixtrans-65.2-29178.1-72.8179.5-177.5-179.81.8113.5R1033 F1035 L1039 G1040R1033-R1037 WeakPolarHBondContact O-CB 3.27Å; R1033-R1037 WeakPolarHBondContact O-CD 3.4Å; R1033-R1037 VanDerWaalsContact O-CG 3.26Å; R1033-R1037 WeakPolarHBondContact O-CG 3.24Å; R1033-R1037 PolarHBondContact O-N 3.16Å; F1035-R1037 VanDerWaalsContact C-N 3.33Å; F1035-R1037 PolarHBondContact O-N 3.02Å; R1037-L1039 VanDerWaalsContact C-N 3.3Å; R1037-L1039 PolarHBondContact O-N 2.92Å; R1037-G1040 PolarHBondContact O-N 2.97Å
1038R42.7Very low36.4Very low177.4 Ų177.4112.6 Ų112.667%0.66954%0.544SS*.Hα-helixtrans-84.6-15.6177.6-80.1-177.2-175.2-175.3-2.5114.2R960 H967 R1034 F1035 R1036 G1040R960-R1038 PolarHBondContact NH1-O 2.52Å; R960-R1038 PolarHBondContact NH2-O 3.28Å; H967-R1038 PolarHBondContact NE2-NH1 2.93Å; R1034-R1038 VanDerWaalsContact O-CB 3.3Å; R1034-R1038 WeakPolarHBondContact O-CB 3.3Å; R1034-R1038 WeakPolarHBondContact O-CG 3.37Å; R1034-R1038 PolarHBondContact O-N 3.12Å; R1034-R1038 VanDerWaalsContact O-N 3.11Å; F1035-R1038 CarbonylContact O-C 3.52Å; F1035-R1038 WeakPolarHBondContact O-CA 3.17Å; F1035-R1038 PolarHBondContact O-N 3.24Å; F1035-R1038 VanDerWaalsContact O-N 3.07Å; R1036-R1038 VanDerWaalsContact C-N 3.32Å; R1036-R1038 PolarHBondContact O-N 3.34Å; R1038-G1040 VanDerWaalsContact C-N 3.35Å
1039L37.3Very low35.9Very low56.2 Ų56.2117.5 Ų117.529%0.29457%0.567SS.*THydrogen-bonded Turntrans-92.7-6.2174.9-73.2174.5000113.5M902 L929 F1035 R1036 R1037 L1041M902-L1039 HydrophobicContact CE-CD1 3.81Å; M902-L1039 HydrophobicContact CE-CD2 3.62Å; M902-L1039 HydrophobicContact CE-CG 4.34Å; M902-L1039 HydrophobicContact SD-CD1 3.54Å; M902-L1039 VanDerWaalsContact SD-CD1 3.54Å; M902-L1039 HydrophobicContact SD-CD2 4.46Å; L929-L1039 HydrophobicContact CD2-CD1 4.44Å; L929-L1039 HydrophobicContact CD2-CD2 4.25Å; F1035-L1039 HydrophobicContact CD1-CD1 3.62Å; F1035-L1039 HydrophobicContact CD1-CG 4.28Å; F1035-L1039 HydrophobicContact CE1-CD1 3.58Å; F1035-L1039 HydrophobicContact CE1-CG 4.2Å; F1035-L1039 HydrophobicContact CG-CD1 4.24Å; F1035-L1039 HydrophobicContact CZ-CD1 4.09Å; F1035-L1039 HydrophobicContact CZ-CG 4.42Å; F1035-L1039 WeakPolarHBondContact O-CB 3.31Å; F1035-L1039 WeakPolarHBondContact O-CG 3.29Å; F1035-L1039 PolarHBondContact O-N 3Å; R1036-L1039 CarbonylContact O-C 3.47Å; R1036-L1039 PolarHBondContact O-N 3Å; R1036-L1039 VanDerWaalsContact O-N 3.15Å; R1037-L1039 VanDerWaalsContact C-N 3.3Å; R1037-L1039 PolarHBondContact O-N 2.92Å; L1039-L1041 VanDerWaalsContact C-N 3.26Å; L1039-L1041 HydrophobicContact CB-CD1 4.36Å; L1039-L1041 HydrophobicContact CB-CG 4.29Å; L1039-L1041 HydrophobicContact CD1-CD1 4.49Å; L1039-L1041 PolarHBondContact O-N 2.92Å; L1039-L1041 VanDerWaalsContact O-N 3.17Å
1040G36.7Very low35.4Very low43.4 Ų43.4120.9 Ų120.945%0.44759%0.587SS.*THydrogen-bonded Turntrans72.217.4177.700000114.4R1036 R1037 R1038 R1042 S1091 S1092R1036-G1040 PolarHBondContact O-N 3.11Å; R1036-G1040 VanDerWaalsContact O-N 3.13Å; R1037-G1040 PolarHBondContact O-N 2.97Å; R1038-G1040 VanDerWaalsContact C-N 3.35Å; G1040-R1042 VanDerWaalsContact C-N 3.28Å; G1040-R1042 PolarHBondContact O-N 2.96Å; G1040-S1091 CarbonylContact O-C 3.58Å; G1040-S1091 WeakPolarHBondContact O-CA 3.3Å; G1040-S1091 WeakPolarHBondContact O-CB 3.33Å; G1040-S1092 WeakPolarHBondContact O-CB 3.48Å; G1040-S1092 PolarHBondContact O-N 3.34Å
1041L40.4Very low34.7Very low76 Ų76121.2 Ų121.240%0.39860%0.601SS.*  trans-78.4111.3172.1-62.8170000109.5L905 R1036 L1039 S1091 S1092 G1093L905-L1041 HydrophobicContact CD2-CD1 4.02Å; R1036-L1041 HydrophobicContact CB-CB 4.29Å; R1036-L1041 HydrophobicContact CG-CB 3.94Å; R1036-L1041 HydrophobicContact CG-CD1 4.13Å; R1036-L1041 PolarHBondContact O-N 3.03Å; L1039-L1041 VanDerWaalsContact C-N 3.26Å; L1039-L1041 HydrophobicContact CB-CD1 4.36Å; L1039-L1041 HydrophobicContact CB-CG 4.29Å; L1039-L1041 HydrophobicContact CD1-CD1 4.49Å; L1039-L1041 PolarHBondContact O-N 2.92Å; L1039-L1041 VanDerWaalsContact O-N 3.17Å; L1041-S1091 VanDerWaalsContact O-CB 3.31Å; L1041-S1091 WeakPolarHBondContact O-CB 3.41Å; L1041-S1091 PolarHBondContact O-OG 3.49Å; L1041-S1092 CarbonylContact C-O 3.57Å; L1041-S1092 VanDerWaalsContact CA-O 3.22Å; L1041-S1092 WeakPolarHBondContact CA-O 3.47Å; L1041-G1093 WeakPolarHBondContact CD2-O 3.32Å
1042R33.3Very low34.1Very low198.2 Ų198.2121.2 Ų121.275%0.74861%0.614SS**PPolyproline II helixtrans-92149.6173.1-76-166.8176.4-158.91.3110.3G1040 T1089 E1090 S1091 S1092G1040-R1042 VanDerWaalsContact C-N 3.28Å; G1040-R1042 PolarHBondContact O-N 2.96Å; R1042-T1089 PolarHBondContact NH2-O 3.16Å; R1042-E1090 WeakPolarHBondContact CD-O 3.27Å; R1042-E1090 WeakPolarHBondContact CG-O 3.42Å; R1042-E1090 PolarHBondContact NE-O 3.47Å; R1042-S1091 WeakPolarHBondContact CA-OG 3.46Å; R1042-S1091 WeakPolarHBondContact CG-O 3.46Å; R1042-S1091 WeakPolarHBondContact CG-OG 3.44Å; R1042-S1091 VanDerWaalsContact N-CB 3.28Å; R1042-S1091 PolarHBondContact N-OG 3Å; R1042-S1091 VanDerWaalsContact N-OG 3.09Å; R1042-S1092 PolarHBondContact N-O 3.48Å
1043H35.2Very low33.6Very low163.2 Ų163.2126.2 Ų126.276%0.75664%0.642SS**PPolyproline II helixtrans-35.7139167.2-91.7-71.9000113
1044D28Very low33Very low104.2 Ų104.2125.3 Ų125.356%0.55765%0.653SS**PPolyproline II helixtrans-76.3148.2168.5-57.3-51.1000109.3R1036 I1046R1036-D1044 IonicContact CZ-OD1 2.73Å; R1036-D1044 IonicContact CZ-OD2 3.97Å; R1036-D1044 IonicContact NH1-OD1 3.18Å; R1036-D1044 PolarHBondContact NH1-OD1 3.02Å; R1036-D1044 IonicContact NH1-OD2 2.75Å; R1036-D1044 PolarHBondContact NH1-OD2 2.79Å; D1044-I1046 PolarHBondContact O-N 3.19Å
1045P28.4Very low32.3Very low109.4 Ų109.4125.9 Ų125.971%0.7167%0.665SS**  trans-71.3128.7-178.429.2-34000111.2E922 S1047E922-P1045 HydrophobicContact CB-CG 3.86Å; E922-P1045 HydrophobicContact CG-CG 4.35Å; E922-P1045 VanDerWaalsContact OE2-CD 3.31Å; E922-P1045 WeakPolarHBondContact OE2-CD 3.25Å; E922-P1045 WeakPolarHBondContact OE2-CG 3.44Å; P1045-S1047 PolarHBondContact O-N 3.1Å
1046I30.3Very low31.7Very low153.2 Ų153.2126.4 Ų126.479%0.78669%0.691SS**  trans-73.8127170.7-63.7173000108.7D1044 I1048D1044-I1046 PolarHBondContact O-N 3.19Å; I1046-I1048 HydrophobicContact CG2-CD1 4.15Å; I1046-I1048 HydrophobicContact CG2-CG1 4.49Å; I1046-I1048 PolarHBondContact O-N 3.04Å; I1046-I1048 VanDerWaalsContact O-N 3.13Å
1047S25.7Very low30.9Very low107.8 Ų107.8125.1 Ų125.175%0.75471%0.707SS**  trans-75.2124.3179.8320000111.7P1045 N1049P1045-S1047 PolarHBondContact O-N 3.1Å; S1047-N1049 VanDerWaalsContact C-N 3.27Å; S1047-N1049 PolarHBondContact O-N 2.89Å
1048I27.4Very low30.2Very low150.6 Ų150.6124.1 Ų124.177%0.77271%0.711SS**  trans-135.8104.7162.3-63.7170.2000110.2I1046 L1050I1046-I1048 HydrophobicContact CG2-CD1 4.15Å; I1046-I1048 HydrophobicContact CG2-CG1 4.49Å; I1046-I1048 PolarHBondContact O-N 3.04Å; I1046-I1048 VanDerWaalsContact O-N 3.13Å; I1048-L1050 PolarHBondContact O-N 3.26Å
1049N24.8Very low29.5Very low150.6 Ų150.6121.7 Ų121.781%0.80572%0.716SS**  trans-87.8121.6159.9-92.6-18.6000112.3S1047S1047-N1049 VanDerWaalsContact C-N 3.27Å; S1047-N1049 PolarHBondContact O-N 2.89Å
1050L26.7Very low28.9Very low160.4 Ų160.4124.2 Ų124.284%0.8474%0.738SS**  trans148.8140.1156-123.271.6000114.3I1048I1048-L1050 PolarHBondContact O-N 3.26Å
1051A26.9Very low28.5Very low91 Ų91131.1 Ų131.175%0.75276%0.756SS**  trans97.886.3155.900000115.3T1053A1051-T1053 PolarHBondContact O-N 3.48Å
1052A25.9Very low27.8Very low92.2 Ų92.2135.5 Ų135.576%0.76278%0.779SS**  25.7140.8127.200000115.4
1053T26.8Very low27.6Very low129.4 Ų129.4134 Ų13479%0.79478%0.78SS**  trans120.8132154.44.90000116.2A1051A1051-T1053 PolarHBondContact O-N 3.48Å
1054T29.3Very low27.1Very low124 Ų124136.8 Ų136.876%0.76178%0.784SS**  trans90.7100.4153.716.90000119.2
1055M27.3Very low27.1Very low182.4 Ų182.4140.2 Ų140.290%0.89980%0.797SS**  trans60.297.6137-58.3-61.7-85.300121
1056G26.9Very low27.1Very low84.2 Ų84.2139.5 Ų139.587%0.86880%0.8SS**  80.4131.3126.500000119.8
1057G26.4Very low27Very low67.2 Ų67.2137.5 Ų137.569%0.69380%0.8SS**  trans141.8111.7164.200000116T1059G1057-T1059 PolarHBondContact O-N 3.4Å
1058H27.9Very low27Very low184.8 Ų184.8136.8 Ų136.886%0.85680%0.795SS**  trans13109.9155.5-58.7-82.8000117.8S1060H1058-S1060 PolarHBondContact O-N 3.33Å; H1058-S1060 VanDerWaalsContact O-N 3.09Å
1059T27.5Very low27.1Very low128.2 Ų128.2135.4 Ų135.479%0.78780%0.795SS**  trans75.2115.7141.244.90000115.2G1057 K1061G1057-T1059 PolarHBondContact O-N 3.4Å; T1059-K1061 PolarHBondContact O-N 2.94Å
1060S26Very low27.3Very low107.6 Ų107.6133 Ų13375%0.75280%0.797SS**  trans-40.1123.4156.858.40000115.7H1058 L1062H1058-S1060 PolarHBondContact O-N 3.33Å; H1058-S1060 VanDerWaalsContact O-N 3.09Å; S1060-L1062 PolarHBondContact O-N 2.9Å
1061K27.2Very low27.4Very low188.4 Ų188.4134 Ų13482%0.81979%0.789SS**  trans-37.5118.7160.7-69.9175.8-179.3172.30112.9T1059 Q1063T1059-K1061 PolarHBondContact O-N 2.94Å; K1061-Q1063 PolarHBondContact O-N 2.93Å; K1061-Q1063 VanDerWaalsContact O-N 3.11Å
1062L26.2Very low27.5Very low168.8 Ų168.8135.5 Ų135.588%0.88479%0.789SS**  trans-71104.8162.7-80164.6000110.1S1060 R1064S1060-L1062 PolarHBondContact O-N 2.9Å; L1062-R1064 PolarHBondContact O-N 3.22Å; L1062-R1064 VanDerWaalsContact O-N 3.12Å
1063Q28.1Very low27.6Very low166.6 Ų166.6135.7 Ų135.778%0.77978%0.784SS**  trans-106.4121178.3-176.8159.1-19.900109.1K1061 Q1065K1061-Q1063 PolarHBondContact O-N 2.93Å; K1061-Q1063 VanDerWaalsContact O-N 3.11Å; Q1063-Q1065 PolarHBondContact O-N 3.33Å
1064R26.4Very low27.6Very low221.2 Ų221.2135.4 Ų135.484%0.83578%0.776SS**  trans-69.2124.6170.2-79.4175.3177.1-122.9-0.9109.2L1062 A1066L1062-R1064 PolarHBondContact O-N 3.22Å; L1062-R1064 VanDerWaalsContact O-N 3.12Å; R1064-A1066 PolarHBondContact O-N 2.92Å
1065Q26.7Very low27.5Very low177 Ų177135 Ų13583%0.82777%0.774SS**  trans-78.6119.4145.5-80.7-168.2-23.600109.8Q1063 S1067 S1068Q1063-Q1065 PolarHBondContact O-N 3.33Å; Q1065-S1067 PolarHBondContact O-N 2.73Å; Q1065-S1068 PolarHBondContact O-N 3.09Å
1066A28.5Very low27.5Very low94.8 Ų94.8130.4 Ų130.478%0.78376%0.76SS**  trans-77.8135.6172.800000112.4R1064 S1068R1064-A1066 PolarHBondContact O-N 2.92Å; A1066-S1068 PolarHBondContact O-N 3.34Å; A1066-S1068 PolarHBondContact O-OG 3.08Å
1067S27.4Very low27.5Very low110.8 Ų110.8137 Ų13778%0.77576%0.758SS**  trans-93.2109.8-160.851.80000113.1Q1065Q1065-S1067 PolarHBondContact O-N 2.73Å
1068S26.7Very low27.5Very low93.6 Ų93.6141.7 Ų141.766%0.65576%0.76SS**  trans-89.3145.1172.5-63.70000112.4Q1065 A1066 R1071Q1065-S1068 PolarHBondContact O-N 3.09Å; A1066-S1068 PolarHBondContact O-N 3.34Å; A1066-S1068 PolarHBondContact O-OG 3.08Å; S1068-R1071 VanDerWaalsContact CB-NH1 3.33Å; S1068-R1071 PolarHBondContact OG-NH1 3.06Å; S1068-R1071 VanDerWaalsContact OG-NH1 3.15Å; S1068-R1071 PolarHBondContact OG-NH2 3.11Å
1069P30.4Very low27.4Very low120.2 Ų120.2138 Ų13878%0.78176%0.755SS**  trans-92.9154.1173.315-3.8000114.1R1071P1069-R1071 PolarHBondContact O-N 3.11Å; P1069-R1071 VanDerWaalsContact O-N 3.17Å
1070A28.9Very low27.3Very low100.8 Ų100.8137 Ų13783%0.83375%0.749SS**  trans-78.2128.5174.700000114.8
1071R27.7Very low27.2Very low181.6 Ų181.6141.1 Ų141.169%0.68575%0.753SS**  trans-113.9144.6168.7-88.1-176177.8149.81.4109.3S1068 P1069 C1073 I1334 S1761S1068-R1071 VanDerWaalsContact CB-NH1 3.33Å; S1068-R1071 PolarHBondContact OG-NH1 3.06Å; S1068-R1071 VanDerWaalsContact OG-NH1 3.15Å; S1068-R1071 PolarHBondContact OG-NH2 3.11Å; P1069-R1071 PolarHBondContact O-N 3.11Å; P1069-R1071 VanDerWaalsContact O-N 3.17Å; R1071-C1073 PolarHBondContact O-N 3.36Å; R1071-I1334 HydrophobicContact CG-CG2 4.46Å; R1071-S1761 PolarHBondContact NH1-OG 3.27Å; R1071-S1761 PolarHBondContact NH2-OG 2.87Å
1072V29.6Very low27.2Very low122 Ų122138.8 Ų138.874%0.73975%0.748SS**  trans-71.6125.5170.8-169.20000111.9L1074V1072-L1074 PolarHBondContact O-N 3.34Å
1073C27.1Very low27.1Very low96.4 Ų96.4136.1 Ų136.165%0.65174%0.741SS**  trans-111.8135151.7-68.50000112.2R1071 T1075 P1330 E1332R1071-C1073 PolarHBondContact O-N 3.36Å; C1073-T1075 PolarHBondContact O-N 3.32Å; C1073-T1075 VanDerWaalsContact O-N 3.14Å; C1073-P1330 HydrophobicContact CB-CG 3.96Å; C1073-E1332 VanDerWaalsContact SG-CG 3.53Å
1074L27.6Very low26.9Very low123.4 Ų123.4135.2 Ų135.265%0.64674%0.74SS**  trans-42.3129.9158.1-69.8172.5000114.2V1072 S1076 I1333V1072-L1074 PolarHBondContact O-N 3.34Å; L1074-S1076 PolarHBondContact O-N 3Å; L1074-S1076 VanDerWaalsContact O-N 3.12Å; L1074-I1333 HydrophobicContact CB-CD1 4.29Å
1075T26.7Very low26.9Very low114.6 Ų114.6133.5 Ų133.570%0.70374%0.741SS**  trans-20.2127.1167.652.70000114.8C1073 R1077 P1330C1073-T1075 PolarHBondContact O-N 3.32Å; C1073-T1075 VanDerWaalsContact O-N 3.14Å; T1075-R1077 PolarHBondContact O-N 3.26Å; T1075-P1330 HydrophobicContact CG2-CB 4.27Å
1076S27.7Very low26.8Very low86 Ų86129.7 Ų129.760%0.60173%0.734SS**  trans48.5113.7154.4176.20000116.9L1074 F1078 S1079 K1326L1074-S1076 PolarHBondContact O-N 3Å; L1074-S1076 VanDerWaalsContact O-N 3.12Å; S1076-F1078 PolarHBondContact O-N 2.76Å; S1076-S1079 PolarHBondContact O-N 3.4Å; S1076-K1326 WeakPolarHBondContact CB-O 3.46Å; S1076-K1326 PolarHBondContact OG-O 2.87Å
1077R26.2Very low26.6Very low222.8 Ų222.8132.4 Ų132.484%0.84174%0.735SS**  trans-140.1112.7177.7-76.6-173.1-179.2179.61.4113.5T1075 S1079T1075-R1077 PolarHBondContact O-N 3.26Å; R1077-S1079 PolarHBondContact O-N 2.92Å
1078F26.7Very low26.6Very low166.2 Ų166.2132.6 Ų132.673%0.72973%0.734SS**  trans-97.2104.3176.1-71.7-87.8000112.6S1076 T1080 I1334S1076-F1078 PolarHBondContact O-N 2.76Å; F1078-T1080 PolarHBondContact O-N 3.33Å; F1078-I1334 HydrophobicContact CB-CD1 3.66Å; F1078-I1334 HydrophobicContact CD1-CD1 3.35Å; F1078-I1334 HydrophobicContact CD2-CB 4.14Å; F1078-I1334 HydrophobicContact CD2-CD1 3.63Å; F1078-I1334 HydrophobicContact CD2-CG1 4.45Å; F1078-I1334 HydrophobicContact CD2-CG2 4.2Å; F1078-I1334 HydrophobicContact CE1-CD1 3.71Å; F1078-I1334 HydrophobicContact CE1-CG2 4.27Å; F1078-I1334 HydrophobicContact CE2-CB 3.99Å; F1078-I1334 HydrophobicContact CE2-CD1 4Å; F1078-I1334 HydrophobicContact CE2-CG2 3.55Å; F1078-I1334 HydrophobicContact CG-CD1 3.29Å; F1078-I1334 HydrophobicContact CZ-CB 4.36Å; F1078-I1334 HydrophobicContact CZ-CD1 4.02Å; F1078-I1334 HydrophobicContact CZ-CG2 3.57Å
1079S25.3Very low26.5Very low106.8 Ų106.8133.6 Ų133.675%0.74774%0.737SS**  trans-123.799.5157.9-156.80000113.8S1076 R1077 K1081S1076-S1079 PolarHBondContact O-N 3.4Å; R1077-S1079 PolarHBondContact O-N 2.92Å; S1079-K1081 PolarHBondContact O-N 3.13Å; S1079-K1081 VanDerWaalsContact O-N 3.13Å
1080T26.1Very low26.2Very low108.2 Ų108.2136.2 Ų136.266%0.66474%0.738SS**  trans-45.5103.7158.448.60000113.9F1078 I1082 E1332F1078-T1080 PolarHBondContact O-N 3.33Å; T1080-I1082 PolarHBondContact O-N 3.13Å; T1080-E1332 VanDerWaalsContact OG1-CD 3.25Å; T1080-E1332 PolarHBondContact OG1-OE1 3.16Å
1081K24.7Very low26.1Very low193.6 Ų193.6136.5 Ų136.584%0.84273%0.734SS**  trans-76.7107.1150.5-82.9-178.6175.2-175.30114.1S1079 P1083S1079-K1081 PolarHBondContact O-N 3.13Å; S1079-K1081 VanDerWaalsContact O-N 3.13Å; K1081-P1083 WeakPolarHBondContact O-CD 3.34Å; K1081-P1083 VanDerWaalsContact O-N 3.16Å
1082I25.7Very low26Very low140 Ų140133.5 Ų133.572%0.71874%0.741SS**  trans-26.2137.8150.4-52.9166000110.3T1080 I1084T1080-I1082 PolarHBondContact O-N 3.13Å; I1082-I1084 HydrophobicContact CG2-CG1 4.14Å; I1082-I1084 PolarHBondContact O-N 3.14Å
1083P24.9Very low25.8Very low111.8 Ų111.8130.9 Ų130.973%0.72674%0.739SS**  trans-102.9138.7-153.518.1-2.7000111.8K1081 Q1085K1081-P1083 WeakPolarHBondContact O-CD 3.34Å; K1081-P1083 VanDerWaalsContact O-N 3.16Å; P1083-Q1085 VanDerWaalsContact C-N 3.29Å; P1083-Q1085 PolarHBondContact O-N 2.91Å
1084I25Very low25.7Very low147 Ų147134.4 Ų134.475%0.75475%0.75SS**  trans-40.8119162.8-60.9175.1000111.8I1082 S1086I1082-I1084 HydrophobicContact CG2-CG1 4.14Å; I1082-I1084 PolarHBondContact O-N 3.14Å; I1084-S1086 PolarHBondContact O-N 3.39Å
1085Q24.9Very low25.7Very low185.8 Ų185.8135.9 Ų135.987%0.86876%0.758SS**  trans-61.4118.1167.6-116.2172.5-2.600114P1083P1083-Q1085 VanDerWaalsContact C-N 3.29Å; P1083-Q1085 PolarHBondContact O-N 2.91Å
1086S25.5Very low25.7Very low97.2 Ų97.2137.7 Ų137.768%0.6876%0.763SS**  trans-149.6115.1174.651.20000112.8I1084I1084-S1086 PolarHBondContact O-N 3.39Å
1087N24.3Very low25.9Very low150.6 Ų150.6138.2 Ų138.281%0.80577%0.767SS**  trans51.7143.3155.2-65.9-4000117.2T1089N1087-T1089 PolarHBondContact O-N 2.91Å; N1087-T1089 VanDerWaalsContact O-N 3.09Å
1088P27.7Very low26.6Very low116 Ų116132.6 Ų132.675%0.75376%0.757SS**  trans-115.7145.4-167.936.7-22.7000113.7
1089T25Very low27.8Very low114.2 Ų114.2129.4 Ų129.470%0.70175%0.752SS**  trans-170.9107.4158.232.30000114.8R1042 N1087R1042-T1089 PolarHBondContact NH2-O 3.16Å; N1087-T1089 PolarHBondContact O-N 2.91Å; N1087-T1089 VanDerWaalsContact O-N 3.09Å
1090E23.9Very low29.3Very low175.8 Ų175.8127.4 Ų127.482%0.82174%0.738SS**  trans47.1119.5138.5-60.3177.3174.400120R1042R1042-E1090 WeakPolarHBondContact CD-O 3.27Å; R1042-E1090 WeakPolarHBondContact CG-O 3.42Å; R1042-E1090 PolarHBondContact NE-O 3.47Å
1091S26.4Very low31.1Very low106.2 Ų106.2124.1 Ų124.174%0.74372%0.718SS**  150.5136.512551.80000117.1G1040 L1041 R1042G1040-S1091 CarbonylContact O-C 3.58Å; G1040-S1091 WeakPolarHBondContact O-CA 3.3Å; G1040-S1091 WeakPolarHBondContact O-CB 3.33Å; L1041-S1091 VanDerWaalsContact O-CB 3.31Å; L1041-S1091 WeakPolarHBondContact O-CB 3.41Å; L1041-S1091 PolarHBondContact O-OG 3.49Å; R1042-S1091 WeakPolarHBondContact CA-OG 3.46Å; R1042-S1091 WeakPolarHBondContact CG-O 3.46Å; R1042-S1091 WeakPolarHBondContact CG-OG 3.44Å; R1042-S1091 VanDerWaalsContact N-CB 3.28Å; R1042-S1091 PolarHBondContact N-OG 3Å; R1042-S1091 VanDerWaalsContact N-OG 3.09Å
1092S24.7Very low32.7Very low119.6 Ų119.6117.8 Ų117.884%0.83670%0.697SS**  trans-48.7139177.7103.80000116.8G1040 L1041 R1042G1040-S1092 WeakPolarHBondContact O-CB 3.48Å; G1040-S1092 PolarHBondContact O-N 3.34Å; L1041-S1092 CarbonylContact C-O 3.57Å; L1041-S1092 VanDerWaalsContact CA-O 3.22Å; L1041-S1092 WeakPolarHBondContact CA-O 3.47Å; R1042-S1092 PolarHBondContact N-O 3.48Å
1093G25.3Very low34.4Very low66.4 Ų66.4112.3 Ų112.369%0.68567%0.668SS**  trans178.896.6164.200000114.1L1041 L1095L1041-G1093 WeakPolarHBondContact CD2-O 3.32Å; G1093-L1095 PolarHBondContact O-N 3.35Å
1094L25.4Very low36.2Very low169.4 Ų169.4109 Ų10989%0.88766%0.655SS**  trans-56.9135.9178.1-155.474.5000115.8
1095L27.1Very low38Very low155 Ų155104.2 Ų104.281%0.81263%0.634SS**  trans-145.8135.2178.1-105.4107.8000114G1093G1093-L1095 PolarHBondContact O-N 3.35Å
1096D27.7Very low40Very low153.6 Ų153.696.1 Ų96.182%0.82160%0.597SS**  trans-78.4142.2171.2-74.3-56000115.7T1098D1096-T1098 PolarHBondContact O-N 3.07Å
1097S31.5Very low42Very low96 Ų9694.2 Ų94.267%0.67158%0.579SS**  trans-115.496.7179.260.90000115.2T1099S1097-T1099 PolarHBondContact O-N 3.07Å
1098T41.2Very low44.3Very low104.4 Ų104.487.2 Ų87.264%0.6454%0.541SS*.  trans-82.179.2169.550.90000115.5W894 V941 D1096 S1100W894-T1098 PolarHBondContact NE1-O 3.44Å; V941-T1098 HydrophobicContact CG2-CG2 4.12Å; D1096-T1098 PolarHBondContact O-N 3.07Å; T1098-S1100 VanDerWaalsContact C-N 3.27Å; T1098-S1100 PolarHBondContact O-N 3.19Å; T1098-S1100 VanDerWaalsContact O-N 3.16Å
1099T52.3Low46.2Very low100 Ų10083.1 Ų83.161%0.61352%0.515SS*.  trans-9214.7-179.651.70000115.3S1097 V1101 S1109 L1110S1097-T1099 PolarHBondContact O-N 3.07Å; T1099-V1101 PolarHBondContact O-N 3.04Å; T1099-S1109 WeakPolarHBondContact O-CA 3.35Å; T1099-L1110 PolarHBondContact O-N 3.36Å
1100S56.5Low48.3Very low64.2 Ų64.280.7 Ų80.745%0.44950%0.498SS..EExtended strand (participates in β ladder)trans-136.9136.2-179.963.20000113.5T1098 C1108T1098-S1100 VanDerWaalsContact C-N 3.27Å; T1098-S1100 PolarHBondContact O-N 3.19Å; T1098-S1100 VanDerWaalsContact O-N 3.16Å; S1100-C1108 CarbonylContact C-O 3.53Å; S1100-C1108 VanDerWaalsContact CA-O 3.25Å; S1100-C1108 WeakPolarHBondContact CA-O 3.34Å; S1100-C1108 WeakPolarHBondContact CB-O 3.32Å
1101V62.9Low50.2Low40 Ų4075.4 Ų75.424%0.24248%0.475CS..EExtended strand (participates in β ladder)trans-114.1131.5175.3-178.50000109.5W894 L981 F982 T1099 F1103 C1108W894-V1101 HydrophobicContact CD2-CG2 3.89Å; W894-V1101 HydrophobicContact CE3-CG2 4.43Å; W894-V1101 HydrophobicContact CG-CG2 4.23Å; W894-V1101 HydrophobicContact CH2-CG2 4.35Å; W894-V1101 HydrophobicContact CZ2-CG2 3.83Å; L981-V1101 HydrophobicContact CD1-CB 4Å; L981-V1101 HydrophobicContact CD1-CG1 4.02Å; L981-V1101 HydrophobicContact CD1-CG2 3.78Å; L981-V1101 HydrophobicContact CD2-CB 4.28Å; L981-V1101 HydrophobicContact CD2-CG1 4.29Å; L981-V1101 HydrophobicContact CD2-CG2 3.68Å; L981-V1101 HydrophobicContact CG-CG2 4.02Å; L981-V1101 WeakPolarHBondContact O-CG2 3.4Å; F982-V1101 HydrophobicContact CD1-CG2 4.49Å; F982-V1101 HydrophobicContact CE1-CG2 4.15Å; F982-V1101 HydrophobicContact CE2-CG2 3.9Å; F982-V1101 HydrophobicContact CZ-CG2 3.23Å; T1099-V1101 PolarHBondContact O-N 3.04Å; V1101-F1103 HydrophobicContact CB-CE2 4.23Å; V1101-F1103 HydrophobicContact CG1-CD2 4.23Å; V1101-F1103 HydrophobicContact CG1-CE1 4.33Å; V1101-F1103 HydrophobicContact CG1-CE2 3.77Å; V1101-F1103 HydrophobicContact CG1-CZ 3.9Å; V1101-C1108 PolarHBondContact N-O 3.18Å; V1101-C1108 PolarHBondContact O-N 3.16Å
1102S59.6Low51.8Low59.8 Ų59.878.9 Ų78.942%0.41848%0.477SS..EExtended strand (participates in β ladder)trans-105.1121177.759.50000112.4N1015 I1106N1015-S1102 PolarHBondContact OD1-OG 2.91Å; N1015-S1102 VanDerWaalsContact OD1-OG 3.06Å; S1102-I1106 CarbonylContact C-O 3.5Å; S1102-I1106 WeakPolarHBondContact CA-O 3.34Å
1103F60.7Low53.4Low24.6 Ų24.679.1 Ų79.111%0.10846%0.459CS..EExtended strand (participates in β ladder)trans-101.2103.1172.5-64.7-83.9000109.2L887 Y892 F899 C901 L906 L919 I931 L981 V1101 S1105 I1106 C1108 L1135L887-F1103 HydrophobicContact CD1-CD1 4.08Å; L887-F1103 HydrophobicContact CD2-CD1 3.8Å; L887-F1103 HydrophobicContact CD2-CE1 4.13Å; L887-F1103 HydrophobicContact CG-CD1 4.47Å; Y892-F1103 AromaticContact CD2-CE1 3.7Å; Y892-F1103 HydrophobicContact CD2-CE1 3.7Å; Y892-F1103 AromaticContact CD2-CZ 3.79Å; Y892-F1103 HydrophobicContact CD2-CZ 3.79Å; Y892-F1103 AromaticContact CE2-CE1 3.59Å; Y892-F1103 HydrophobicContact CE2-CE1 3.59Å; Y892-F1103 HydrophobicContact CE2-CZ 4.08Å; Y892-F1103 HydrophobicContact CG-CZ 4.23Å; F899-F1103 HydrophobicContact CB-CE1 4.44Å; F899-F1103 HydrophobicContact CB-CE2 4.49Å; F899-F1103 HydrophobicContact CB-CZ 4.07Å; F899-F1103 HydrophobicContact CD1-CD2 4.41Å; F899-F1103 AromaticContact CD1-CE2 3.46Å; F899-F1103 HydrophobicContact CD1-CE2 3.96Å; F899-F1103 VanDerWaalsContact CD1-CE2 3.46Å; F899-F1103 AromaticContact CD1-CZ 3.51Å; F899-F1103 HydrophobicContact CD1-CZ 3.93Å; F899-F1103 AromaticContact CE1-CE2 3.7Å; F899-F1103 HydrophobicContact CE1-CE2 3.7Å; F899-F1103 HydrophobicContact CE1-CZ 4.15Å; F899-F1103 HydrophobicContact CG-CE2 4.21Å; F899-F1103 AromaticContact CG-CZ 3.81Å; F899-F1103 HydrophobicContact CG-CZ 3.81Å; C901-F1103 HydrophobicContact CB-CD1 3.95Å; C901-F1103 HydrophobicContact CB-CE1 4.39Å; L906-F1103 HydrophobicContact CD1-CB 4.31Å; L906-F1103 HydrophobicContact CD1-CD1 3.98Å; L906-F1103 HydrophobicContact CD1-CD2 4.2Å; L906-F1103 HydrophobicContact CD1-CE1 4.33Å; L906-F1103 HydrophobicContact CD1-CE2 4.38Å; L906-F1103 HydrophobicContact CD1-CG 3.91Å; L906-F1103 HydrophobicContact CD2-CB 4.12Å; L906-F1103 HydrophobicContact CD2-CD2 4.02Å; L906-F1103 HydrophobicContact CD2-CG 4.11Å; L919-F1103 HydrophobicContact CD2-CB 3.98Å; L919-F1103 WeakPolarHBondContact CD2-O 3.4Å; I931-F1103 HydrophobicContact CD1-CD2 3.93Å; I931-F1103 HydrophobicContact CD1-CE1 4.22Å; I931-F1103 HydrophobicContact CD1-CE2 3.41Å; I931-F1103 VanDerWaalsContact CD1-CE2 3.41Å; I931-F1103 HydrophobicContact CD1-CZ 3.58Å; L981-F1103 HydrophobicContact CD1-CE2 3.82Å; L981-F1103 HydrophobicContact CD1-CZ 3.81Å; L981-F1103 HydrophobicContact CD2-CZ 4.47Å; V1101-F1103 HydrophobicContact CB-CE2 4.23Å; V1101-F1103 HydrophobicContact CG1-CD2 4.23Å; V1101-F1103 HydrophobicContact CG1-CE1 4.33Å; V1101-F1103 HydrophobicContact CG1-CE2 3.77Å; V1101-F1103 HydrophobicContact CG1-CZ 3.9Å; F1103-S1105 PolarHBondContact O-N 3.02Å; F1103-S1105 VanDerWaalsContact O-N 3.14Å; F1103-I1106 CarbonylContact C-O 3.59Å; F1103-I1106 PolarHBondContact N-O 3.01Å; F1103-I1106 WeakPolarHBondContact O-CA 3.41Å; F1103-I1106 WeakPolarHBondContact O-CB 3.38Å; F1103-I1106 PolarHBondContact O-N 3.17Å; F1103-I1106 VanDerWaalsContact O-O 3.12Å; F1103-C1108 HydrophobicContact CE2-CB 4.42Å; F1103-L1135 HydrophobicContact CE1-CD1 3.98Å
1104G62.9Low54.7Low44 Ų4485.1 Ų85.145%0.45447%0.467SS..THydrogen-bonded Turntrans44-130.1178.200000113I1106G1104-I1106 VanDerWaalsContact C-N 3.29Å; G1104-I1106 PolarHBondContact O-N 3.16Å
1105S62.1Low56Low44.6 Ų44.681.3 Ų81.331%0.31245%0.447SS..THydrogen-bonded Turntrans-81.724.6177.858.20000113.8L919 F1103 P1123 R1124L919-S1105 WeakPolarHBondContact O-CB 3.33Å; L919-S1105 PolarHBondContact O-N 3.35Å; L919-S1105 PolarHBondContact O-OG 3.13Å; F1103-S1105 PolarHBondContact O-N 3.02Å; F1103-S1105 VanDerWaalsContact O-N 3.14Å; S1105-P1123 CarbonylContact O-C 3.51Å; S1105-P1123 WeakPolarHBondContact O-CA 3.4Å; S1105-R1124 WeakPolarHBondContact O-CB 3.33Å; S1105-R1124 PolarHBondContact O-N 3.36Å; S1105-R1124 VanDerWaalsContact O-N 3.1Å
1106I66.8Low57.6Low16.2 Ų16.275.2 Ų75.28%0.08342%0.422CS..EExtended strand (participates in β ladder)trans-109.2136.5178.4-62-179.4000109.6L906 I917 L919 L926 S1102 F1103 G1104 V1121 K1122L906-I1106 HydrophobicContact CB-CD1 4.08Å; L906-I1106 HydrophobicContact CD2-CB 4.45Å; L906-I1106 HydrophobicContact CD2-CD1 3.92Å; L906-I1106 HydrophobicContact CD2-CG2 4.05Å; I917-I1106 HydrophobicContact CB-CD1 4.08Å; I917-I1106 HydrophobicContact CG2-CD1 3.5Å; I917-I1106 VanDerWaalsContact CG2-CD1 3.41Å; I917-I1106 HydrophobicContact CG2-CG1 4.42Å; L919-I1106 HydrophobicContact CD2-CB 4.28Å; L919-I1106 HydrophobicContact CD2-CD1 3.92Å; L919-I1106 HydrophobicContact CD2-CG1 4.23Å; L919-I1106 HydrophobicContact CG-CD1 4.22Å; L926-I1106 HydrophobicContact CD2-CD1 3.98Å; L926-I1106 HydrophobicContact CD2-CG1 4.37Å; S1102-I1106 CarbonylContact C-O 3.5Å; S1102-I1106 WeakPolarHBondContact CA-O 3.34Å; F1103-I1106 CarbonylContact C-O 3.59Å; F1103-I1106 PolarHBondContact N-O 3.01Å; F1103-I1106 WeakPolarHBondContact O-CA 3.41Å; F1103-I1106 WeakPolarHBondContact O-CB 3.38Å; F1103-I1106 PolarHBondContact O-N 3.17Å; F1103-I1106 VanDerWaalsContact O-O 3.12Å; G1104-I1106 VanDerWaalsContact C-N 3.29Å; G1104-I1106 PolarHBondContact O-N 3.16Å; I1106-V1121 HydrophobicContact CG2-CG1 3.38Å; I1106-V1121 VanDerWaalsContact CG2-CG1 3.4Å; I1106-K1122 CarbonylContact C-O 3.58Å; I1106-K1122 WeakPolarHBondContact CA-O 3.33Å
1107I68.8Low59.3Low58.2 Ų58.269.4 Ų69.430%0.29839%0.392SS..EExtended strand (participates in β ladder)trans-112120.9173.8-58.8172.6000108.1S1120 V1121 K1122 R1124I1107-S1120 VanDerWaalsContact O-O 3.08Å; I1107-V1121 WeakPolarHBondContact O-CA 3.28Å; I1107-K1122 HydrophobicContact CB-CG 4.21Å; I1107-K1122 PolarHBondContact N-O 3.07Å; I1107-K1122 PolarHBondContact O-N 3.24Å; I1107-R1124 HydrophobicContact CD1-CB 4.08Å; I1107-R1124 HydrophobicContact CD1-CG 4.04Å; I1107-R1124 HydrophobicContact CG1-CB 4.22Å; I1107-R1124 HydrophobicContact CG1-CG 4.48Å
1108C70.8Confident61Low3 Ų366.7 Ų66.72%0.0237%0.367CS..EExtended strand (participates in β ladder)trans-99.5127.1168.3-61.20000108.5W894 L926 S1100 V1101 F1103 V1119 S1120W894-C1108 HydrophobicContact CZ3-CB 4.3Å; L926-C1108 HydrophobicContact CB-CB 3.85Å; L926-C1108 HydrophobicContact CD1-CB 3.8Å; L926-C1108 HydrophobicContact CG-CB 4.13Å; S1100-C1108 CarbonylContact C-O 3.53Å; S1100-C1108 VanDerWaalsContact CA-O 3.25Å; S1100-C1108 WeakPolarHBondContact CA-O 3.34Å; S1100-C1108 WeakPolarHBondContact CB-O 3.32Å; V1101-C1108 PolarHBondContact N-O 3.18Å; V1101-C1108 PolarHBondContact O-N 3.16Å; F1103-C1108 HydrophobicContact CE2-CB 4.42Å; C1108-V1119 HydrophobicContact CB-CG1 4.04Å; C1108-S1120 CarbonylContact C-O 3.56Å; C1108-S1120 VanDerWaalsContact CA-O 3.31Å; C1108-S1120 WeakPolarHBondContact CA-O 3.42Å
1109S69.5Low62.4Low30 Ų3062.1 Ų62.121%0.2134%0.339CS..EExtended strand (participates in β ladder)trans-133.9137.9178.459.80000111.1T1099 S1120 K1122T1099-S1109 WeakPolarHBondContact O-CA 3.35Å; S1109-S1120 PolarHBondContact N-O 3.16Å; S1109-S1120 WeakPolarHBondContact O-CB 3.42Å; S1109-S1120 PolarHBondContact O-N 3.04Å; S1109-S1120 WeakPolarHBondContact OG-CB 3.48Å; S1109-S1120 PolarHBondContact OG-O 3.23Å; S1109-S1120 PolarHBondContact OG-OG 3.33Å; S1109-S1120 VanDerWaalsContact OG-OG 3.05Å; S1109-K1122 PolarHBondContact OG-NZ 3.09Å
1110L67.9Low63.4Low64.6 Ų64.658 Ų5834%0.33831%0.314SS..EExtended strand (participates in β ladder)trans-78.4128.5176.7-129.6104000110.7W894 N895 F982 T1099 T1117 Y1118 V1119W894-L1110 HydrophobicContact CD2-CD1 4.41Å; W894-L1110 HydrophobicContact CE3-CD1 4.35Å; W894-L1110 HydrophobicContact CH2-CB 4.12Å; W894-L1110 HydrophobicContact CH2-CD1 3.71Å; W894-L1110 HydrophobicContact CH2-CG 3.58Å; W894-L1110 HydrophobicContact CZ2-CB 3.73Å; W894-L1110 HydrophobicContact CZ2-CD1 3.92Å; W894-L1110 HydrophobicContact CZ2-CG 4.08Å; W894-L1110 HydrophobicContact CZ3-CD1 4.02Å; W894-L1110 HydrophobicContact CZ3-CG 3.85Å; N895-L1110 HydrophobicContact CB-CD1 4.06Å; N895-L1110 WeakPolarHBondContact ND2-CD1 3.33Å; F982-L1110 HydrophobicContact CD2-CD1 4.48Å; F982-L1110 HydrophobicContact CE1-CB 4.47Å; F982-L1110 HydrophobicContact CE2-CD1 4.03Å; F982-L1110 HydrophobicContact CZ-CB 4.25Å; F982-L1110 HydrophobicContact CZ-CD1 4.44Å; T1099-L1110 PolarHBondContact O-N 3.36Å; L1110-T1117 HydrophobicContact CB-CG2 4.29Å; L1110-T1117 HydrophobicContact CD1-CG2 3.73Å; L1110-T1117 HydrophobicContact CD2-CG2 4.06Å; L1110-T1117 HydrophobicContact CG-CG2 3.79Å; L1110-Y1118 CarbonylContact C-O 3.57Å; L1110-Y1118 WeakPolarHBondContact CA-O 3.38Å; L1110-V1119 HydrophobicContact CD1-CG2 4.04Å; L1110-V1119 HydrophobicContact CD2-CG2 3.84Å
1111L64.3Low64.2Low62.6 Ų62.655.4 Ų55.433%0.32830%0.295SS..EExtended strand (participates in β ladder)trans-124.2101.5-177.4-124.9158.7000109.4R1113 Y1118 S1120 L1140L1111-R1113 HydrophobicContact CD2-CG 3.86Å; L1111-R1113 HydrophobicContact CG-CG 4.33Å; L1111-R1113 PolarHBondContact O-N 3.26Å; L1111-Y1118 WeakPolarHBondContact CA-O 3.36Å; L1111-Y1118 WeakPolarHBondContact CB-O 3.11Å; L1111-Y1118 PolarHBondContact N-O 3.19Å; L1111-Y1118 PolarHBondContact O-N 3.34Å; L1111-S1120 VanDerWaalsContact CD1-CB 3.43Å; L1111-L1140 HydrophobicContact CD1-CD2 4.07Å
1112K59.8Low64.5Low180.8 Ų180.857.5 Ų57.579%0.78630%0.301SS*.EExtended strand (participates in β ladder)trans-80.7122.8177.1-148168.1-174.4172.50110.4T1117K1112-T1117 HydrophobicContact CB-CG2 4.4Å; K1112-T1117 HydrophobicContact CD-CG2 4.37Å; K1112-T1117 HydrophobicContact CG-CG2 3.82Å
1113R58.4Low64.9Low123 Ų12356.6 Ų56.646%0.46429%0.294SS..EExtended strand (participates in β ladder)trans-118.5178.3173.7-67.7-174.2149.8-171.1-3.6110.8L1111 D1115 G1116 Y1118L1111-R1113 HydrophobicContact CD2-CG 3.86Å; L1111-R1113 HydrophobicContact CG-CG 4.33Å; L1111-R1113 PolarHBondContact O-N 3.26Å; R1113-D1115 VanDerWaalsContact C-N 3.28Å; R1113-D1115 WeakPolarHBondContact CB-OD1 3.38Å; R1113-D1115 WeakPolarHBondContact CD-OD2 3.33Å; R1113-D1115 IonicContact NE-OD1 3.83Å; R1113-D1115 IonicContact NH1-OD2 2.73Å; R1113-D1115 PolarHBondContact NH1-OD2 2.98Å; R1113-D1115 PolarHBondContact O-N 3.32Å; R1113-G1116 WeakPolarHBondContact CA-O 3.35Å; R1113-G1116 VanDerWaalsContact CB-O 3.3Å; R1113-G1116 WeakPolarHBondContact CB-O 3.13Å; R1113-G1116 PolarHBondContact N-O 3.26Å; R1113-G1116 PolarHBondContact O-N 2.97Å; R1113-Y1118 HydrophobicContact CB-CD2 4.22Å; R1113-Y1118 HydrophobicContact CB-CE2 4.2Å; R1113-Y1118 HydrophobicContact CG-CD2 4.17Å; R1113-Y1118 HydrophobicContact CG-CE2 4.26Å
1114K52.3Low64.8Low193.8 Ų193.862.5 Ų62.584%0.84332%0.316SS*.THydrogen-bonded Turntrans-64.6-29.5172.2-66.2-174.5179-178.90112.1G1116 E1253K1114-G1116 VanDerWaalsContact C-N 3.35Å; K1114-G1116 PolarHBondContact O-N 3.19Å; K1114-E1253 WeakPolarHBondContact CD-OE1 3.47Å; K1114-E1253 WeakPolarHBondContact CE-OE1 3.24Å; K1114-E1253 IonicContact NZ-OE1 3.18Å; K1114-E1253 PolarHBondContact NZ-OE1 2.91Å; K1114-E1253 IonicContact NZ-OE2 3.6Å; K1114-E1253 PolarHBondContact NZ-OE2 2.9Å
1115D52.8Low64.4Low89.4 Ų89.463.8 Ų63.848%0.47832%0.322SS..THydrogen-bonded Turntrans-94.76.6-172.719.9-55.6000113.3R1113 Y1118 N1144R1113-D1115 VanDerWaalsContact C-N 3.28Å; R1113-D1115 WeakPolarHBondContact CB-OD1 3.38Å; R1113-D1115 WeakPolarHBondContact CD-OD2 3.33Å; R1113-D1115 IonicContact NE-OD1 3.83Å; R1113-D1115 IonicContact NH1-OD2 2.73Å; R1113-D1115 PolarHBondContact NH1-OD2 2.98Å; R1113-D1115 PolarHBondContact O-N 3.32Å; D1115-Y1118 HydrophobicContact CB-CE2 4.47Å; D1115-Y1118 VanDerWaalsContact O-CE2 3.3Å; D1115-Y1118 WeakPolarHBondContact O-CE2 3.39Å; D1115-Y1118 PolarHBondContact O-OH 3.35Å; D1115-Y1118 WeakPolarHBondContact OD2-CE2 3.39Å; D1115-Y1118 VanDerWaalsContact OD2-CZ 3.26Å; D1115-Y1118 PolarHBondContact OD2-OH 3.24Å; D1115-N1144 PolarHBondContact O-ND2 2.7Å
1116G60.8Low63.7Low26.6 Ų26.666.4 Ų66.427%0.27434%0.338SS..EExtended strand (participates in β ladder)trans128.8179.917900000113.9R1113 K1114 Y1118R1113-G1116 WeakPolarHBondContact CA-O 3.35Å; R1113-G1116 VanDerWaalsContact CB-O 3.3Å; R1113-G1116 WeakPolarHBondContact CB-O 3.13Å; R1113-G1116 PolarHBondContact N-O 3.26Å; R1113-G1116 PolarHBondContact O-N 2.97Å; K1114-G1116 VanDerWaalsContact C-N 3.35Å; K1114-G1116 PolarHBondContact O-N 3.19Å; G1116-Y1118 WeakPolarHBondContact O-CD2 3.38Å; G1116-Y1118 WeakPolarHBondContact O-CE2 3.46Å
1117T63.8Low62.4Low31.2 Ų31.272.4 Ų72.419%0.19138%0.375CS..EExtended strand (participates in β ladder)trans-92.4133.7172.8-28.20000110W894 L1110 K1112 E1143W894-T1117 HydrophobicContact CZ2-CG2 4.25Å; L1110-T1117 HydrophobicContact CB-CG2 4.29Å; L1110-T1117 HydrophobicContact CD1-CG2 3.73Å; L1110-T1117 HydrophobicContact CD2-CG2 4.06Å; L1110-T1117 HydrophobicContact CG-CG2 3.79Å; K1112-T1117 HydrophobicContact CB-CG2 4.4Å; K1112-T1117 HydrophobicContact CD-CG2 4.37Å; K1112-T1117 HydrophobicContact CG-CG2 3.82Å; T1117-E1143 WeakPolarHBondContact CA-OE2 3.44Å; T1117-E1143 VanDerWaalsContact CB-CD 3.49Å; T1117-E1143 WeakPolarHBondContact CB-OE1 3.48Å; T1117-E1143 VanDerWaalsContact CB-OE2 3.31Å; T1117-E1143 WeakPolarHBondContact CB-OE2 3.32Å; T1117-E1143 PolarHBondContact N-OE2 3.16Å; T1117-E1143 WeakPolarHBondContact O-CB 3.26Å; T1117-E1143 WeakPolarHBondContact O-CG 3.46Å; T1117-E1143 PolarHBondContact O-N 3.3Å; T1117-E1143 PolarHBondContact OG1-OE1 3.14Å; T1117-E1143 VanDerWaalsContact OG1-OE1 3.08Å; T1117-E1143 PolarHBondContact OG1-OE2 2.85Å
1118Y67.7Low60.9Low39.4 Ų39.474.9 Ų74.916%0.15539%0.393CS..EExtended strand (participates in β ladder)trans-119.6139.9-179.9-67.3-95.6000111.1L1110 L1111 R1113 D1115 G1116 S1120 L1140 L1141L1110-Y1118 CarbonylContact C-O 3.57Å; L1110-Y1118 WeakPolarHBondContact CA-O 3.38Å; L1111-Y1118 WeakPolarHBondContact CA-O 3.36Å; L1111-Y1118 WeakPolarHBondContact CB-O 3.11Å; L1111-Y1118 PolarHBondContact N-O 3.19Å; L1111-Y1118 PolarHBondContact O-N 3.34Å; R1113-Y1118 HydrophobicContact CB-CD2 4.22Å; R1113-Y1118 HydrophobicContact CB-CE2 4.2Å; R1113-Y1118 HydrophobicContact CG-CD2 4.17Å; R1113-Y1118 HydrophobicContact CG-CE2 4.26Å; D1115-Y1118 HydrophobicContact CB-CE2 4.47Å; D1115-Y1118 VanDerWaalsContact O-CE2 3.3Å; D1115-Y1118 WeakPolarHBondContact O-CE2 3.39Å; D1115-Y1118 PolarHBondContact O-OH 3.35Å; D1115-Y1118 WeakPolarHBondContact OD2-CE2 3.39Å; D1115-Y1118 VanDerWaalsContact OD2-CZ 3.26Å; D1115-Y1118 PolarHBondContact OD2-OH 3.24Å; G1116-Y1118 WeakPolarHBondContact O-CD2 3.38Å; G1116-Y1118 WeakPolarHBondContact O-CE2 3.46Å; Y1118-S1120 PolarHBondContact O-N 2.84Å; Y1118-L1140 HydrophobicContact CD1-CB 4.24Å; Y1118-L1141 CarbonylContact C-O 3.55Å; Y1118-L1141 WeakPolarHBondContact CA-O 3.33Å; Y1118-L1141 WeakPolarHBondContact CB-O 3.19Å
1119V70.7Confident59Low8.6 Ų8.683.8 Ų83.85%0.05243%0.432CS..EExtended strand (participates in β ladder)trans-89113.9164.4176.20000108.6W894 W897 F899 L926 F982 C1108 L1110 V1121 L1140 L1141W894-V1119 HydrophobicContact CD2-CG2 3.51Å; W894-V1119 HydrophobicContact CE3-CB 4.15Å; W894-V1119 HydrophobicContact CE3-CG1 4.25Å; W894-V1119 HydrophobicContact CE3-CG2 3.68Å; W894-V1119 HydrophobicContact CG-CG2 4.2Å; W894-V1119 HydrophobicContact CH2-CB 4.49Å; W894-V1119 HydrophobicContact CH2-CG1 4.41Å; W894-V1119 HydrophobicContact CH2-CG2 4.1Å; W894-V1119 HydrophobicContact CZ2-CG2 4.01Å; W894-V1119 HydrophobicContact CZ3-CB 4.16Å; W894-V1119 HydrophobicContact CZ3-CG1 3.57Å; W894-V1119 HydrophobicContact CZ3-CG2 3.66Å; W897-V1119 HydrophobicContact CD2-CG2 3.98Å; W897-V1119 HydrophobicContact CG-CG2 4.08Å; W897-V1119 HydrophobicContact CZ2-CG2 4.12Å; F899-V1119 HydrophobicContact CE1-CG1 4.35Å; F899-V1119 HydrophobicContact CZ-CG1 4.06Å; L926-V1119 HydrophobicContact CD1-CG1 4.27Å; F982-V1119 HydrophobicContact CE2-CG2 3.76Å; F982-V1119 HydrophobicContact CZ-CG2 4.18Å; C1108-V1119 HydrophobicContact CB-CG1 4.04Å; L1110-V1119 HydrophobicContact CD1-CG2 4.04Å; L1110-V1119 HydrophobicContact CD2-CG2 3.84Å; V1119-V1121 HydrophobicContact CG1-CG2 4.08Å; V1119-V1121 PolarHBondContact O-N 3.04Å; V1119-L1140 HydrophobicContact CB-CD2 4.46Å; V1119-L1140 WeakPolarHBondContact O-CA 3.03Å; V1119-L1141 HydrophobicContact CB-CB 4.28Å; V1119-L1141 HydrophobicContact CB-CD1 4.3Å; V1119-L1141 HydrophobicContact CG1-CD1 4.26Å; V1119-L1141 PolarHBondContact N-O 3.13Å; V1119-L1141 WeakPolarHBondContact O-CB 3.35Å; V1119-L1141 WeakPolarHBondContact O-CG 3.32Å; V1119-L1141 PolarHBondContact O-N 3.05Å
1120S72.8Confident57.2Low12.6 Ų12.689.5 Ų89.59%0.08846%0.46CS..EExtended strand (participates in β ladder)trans-90.6115.1174163.50000109.9I1107 C1108 S1109 L1111 Y1118 K1122 L1139I1107-S1120 VanDerWaalsContact O-O 3.08Å; C1108-S1120 CarbonylContact C-O 3.56Å; C1108-S1120 VanDerWaalsContact CA-O 3.31Å; C1108-S1120 WeakPolarHBondContact CA-O 3.42Å; S1109-S1120 PolarHBondContact N-O 3.16Å; S1109-S1120 WeakPolarHBondContact O-CB 3.42Å; S1109-S1120 PolarHBondContact O-N 3.04Å; S1109-S1120 WeakPolarHBondContact OG-CB 3.48Å; S1109-S1120 PolarHBondContact OG-O 3.23Å; S1109-S1120 PolarHBondContact OG-OG 3.33Å; S1109-S1120 VanDerWaalsContact OG-OG 3.05Å; L1111-S1120 VanDerWaalsContact CD1-CB 3.43Å; Y1118-S1120 PolarHBondContact O-N 2.84Å; S1120-K1122 WeakPolarHBondContact OG-CE 3.32Å; S1120-L1139 CarbonylContact C-O 3.6Å; S1120-L1139 VanDerWaalsContact CA-O 3.31Å; S1120-L1139 WeakPolarHBondContact CA-O 3.46Å
1121V72.3Confident55.6Low9.8 Ų9.891.5 Ų91.56%0.05948%0.479CS..EExtended strand (participates in β ladder)trans-103.2119.4176.3-171.70000109.2F899 I908 I917 I1106 I1107 V1119 A1138 L1139 L1140 L1141F899-V1121 HydrophobicContact CE1-CG2 4.43Å; I908-V1121 HydrophobicContact CD1-CG1 4.15Å; I908-V1121 HydrophobicContact CD1-CG2 4.11Å; I917-V1121 HydrophobicContact CD1-CB 4.46Å; I917-V1121 HydrophobicContact CD1-CG1 3.82Å; I917-V1121 HydrophobicContact CD1-CG2 4.42Å; I1106-V1121 HydrophobicContact CG2-CG1 3.38Å; I1106-V1121 VanDerWaalsContact CG2-CG1 3.4Å; I1107-V1121 WeakPolarHBondContact O-CA 3.28Å; V1119-V1121 HydrophobicContact CG1-CG2 4.08Å; V1119-V1121 PolarHBondContact O-N 3.04Å; V1121-A1138 CarbonylContact O-C 3.52Å; V1121-A1138 WeakPolarHBondContact O-CA 3.18Å; V1121-L1139 HydrophobicContact CB-CB 4.28Å; V1121-L1139 HydrophobicContact CB-CD2 4.42Å; V1121-L1139 PolarHBondContact N-O 3.25Å; V1121-L1139 PolarHBondContact O-N 2.95Å; V1121-L1139 VanDerWaalsContact O-N 3.07Å; V1121-L1140 HydrophobicContact CG2-CD2 3.9Å; V1121-L1141 HydrophobicContact CG2-CD1 3.9Å; V1121-L1141 HydrophobicContact CG2-CG 4.28Å
1122K70.1Confident54.2Low85.2 Ų85.296.5 Ų96.537%0.3750%0.498SS..EExtended strand (participates in β ladder)trans-133.8140.7-176.4-77-177.7-179.1178.70111.1I1106 I1107 S1109 S1120 R1124 A1138I1106-K1122 CarbonylContact C-O 3.58Å; I1106-K1122 WeakPolarHBondContact CA-O 3.33Å; I1107-K1122 HydrophobicContact CB-CG 4.21Å; I1107-K1122 PolarHBondContact N-O 3.07Å; I1107-K1122 PolarHBondContact O-N 3.24Å; S1109-K1122 PolarHBondContact OG-NZ 3.09Å; S1120-K1122 WeakPolarHBondContact OG-CE 3.32Å; K1122-R1124 PolarHBondContact O-N 2.95Å; K1122-A1138 HydrophobicContact CB-CB 4.29Å; K1122-A1138 HydrophobicContact CD-CB 4.27Å; K1122-A1138 HydrophobicContact CG-CB 3.69Å
1123P66.9Low53.2Low41 Ų4192.5 Ų92.527%0.26649%0.494SS..EExtended strand (participates in β ladder)trans-69.3142170.630.3-32000110.3G924 L926 S1105 A1125 E1137 I1154G924-P1123 VanDerWaalsContact O-CB 3.27Å; G924-P1123 WeakPolarHBondContact O-CB 3.46Å; L926-P1123 HydrophobicContact CB-CG 4.16Å; L926-P1123 HydrophobicContact CG-CG 4.38Å; S1105-P1123 CarbonylContact O-C 3.51Å; S1105-P1123 WeakPolarHBondContact O-CA 3.4Å; P1123-A1125 PolarHBondContact O-N 3.07Å; P1123-A1125 VanDerWaalsContact O-N 3.12Å; P1123-E1137 VanDerWaalsContact CD-O 3.3Å; P1123-E1137 WeakPolarHBondContact CD-O 3.41Å; P1123-I1154 HydrophobicContact CG-CG2 4.03Å
1124R59.8Low52.5Low147.8 Ų147.891.1 Ų91.156%0.55850%0.503SS*.PPolyproline II helixtrans-77.8113.3172-172.1171.1-172.4154.22.1108.1S1105 I1107 K1122S1105-R1124 WeakPolarHBondContact O-CB 3.33Å; S1105-R1124 PolarHBondContact O-N 3.36Å; S1105-R1124 VanDerWaalsContact O-N 3.1Å; I1107-R1124 HydrophobicContact CD1-CB 4.08Å; I1107-R1124 HydrophobicContact CD1-CG 4.04Å; I1107-R1124 HydrophobicContact CG1-CB 4.22Å; I1107-R1124 HydrophobicContact CG1-CG 4.48Å; K1122-R1124 PolarHBondContact O-N 2.95Å
1125A54.1Low52.4Low70.6 Ų70.686.2 Ų86.258%0.58349%0.485SS*.PPolyproline II helixtrans-57132.8-177.100000111.5P1123 T1127P1123-A1125 PolarHBondContact O-N 3.07Å; P1123-A1125 VanDerWaalsContact O-N 3.12Å; A1125-T1127 PolarHBondContact O-N 3.18Å
1126P47.1Very low52.5Low100.4 Ų100.486.1 Ų86.165%0.65249%0.485SS*.PPolyproline II helixtrans-67.7133.1177.627.8-33.6000110.3V1128P1126-V1128 VanDerWaalsContact C-N 3.29Å; P1126-V1128 PolarHBondContact O-N 3.27Å
1127T40.8Very low52.7Low141 Ų14186 Ų8687%0.86548%0.477SS*.SBendtrans-84.924.1179.948.10000112.7A1125A1125-T1127 PolarHBondContact O-N 3.18Å
1128V36.5Very low52.9Low112.2 Ų112.285.2 Ų85.268%0.6847%0.474SS*.SBendtrans-141132.4-173.9-169.40000111.3P1126P1126-V1128 VanDerWaalsContact C-N 3.29Å; P1126-V1128 PolarHBondContact O-N 3.27Å
1129F30.8Very low53Low188.4 Ų188.484.2 Ų84.283%0.82647%0.471SS*.  trans84.9136.9172.8-79.2-81.5000117.6S1131F1129-S1131 PolarHBondContact O-N 3.02Å
1130N32.2Very low53Low149.8 Ų149.884.9 Ų84.980%0.80147%0.474SS*.  trans-69.7112.3168-80.1-16.6000116.2K1132N1130-K1132 PolarHBondContact O-N 3.06Å; N1130-K1132 VanDerWaalsContact O-N 3.14Å
1131S33.4Very low52.8Low106.6 Ų106.685.4 Ų85.475%0.74548%0.476SS*.SBendtrans92.257.2153.668.10000116.6F1129 S1133F1129-S1131 PolarHBondContact O-N 3.02Å; S1131-S1133 PolarHBondContact O-N 3.09Å; S1131-S1133 VanDerWaalsContact O-N 3.14Å
1132K34.8Very low52.6Low167.6 Ų167.685.8 Ų85.873%0.72948%0.479SS*.SBendtrans-109132162.2-81.7178.3-179.8177.20111.1N1130 S1134 W1729 M1752N1130-K1132 PolarHBondContact O-N 3.06Å; N1130-K1132 VanDerWaalsContact O-N 3.14Å; K1132-S1134 PolarHBondContact O-N 3.29Å; K1132-S1134 VanDerWaalsContact O-N 3.13Å; K1132-W1729 HydrophobicContact CD-CH2 3.83Å; K1132-W1729 HydrophobicContact CD-CZ3 3.68Å; K1132-W1729 VanDerWaalsContact CE-CZ3 3.47Å; K1132-M1752 VanDerWaalsContact CE-CE 3.43Å; K1132-M1752 WeakPolarHBondContact CE-SD 3.42Å; K1132-M1752 PolarHBondContact NZ-SD 2.91Å
1133S38.6Very low52.2Low97.8 Ų97.885.9 Ų85.968%0.68448%0.481SS*.  trans-58.6111.1-179.1540000111.8S1131 L1135S1131-S1133 PolarHBondContact O-N 3.09Å; S1131-S1133 VanDerWaalsContact O-N 3.14Å; S1133-L1135 VanDerWaalsContact C-N 3.29Å; S1133-L1135 PolarHBondContact O-N 3.09Å
1134S44.4Very low51.9Low94.2 Ų94.288.3 Ų88.366%0.65949%0.491SS*.  trans-71.883.9-179.253.20000112.3K1132 N1136K1132-S1134 PolarHBondContact O-N 3.29Å; K1132-S1134 VanDerWaalsContact O-N 3.13Å; S1134-N1136 VanDerWaalsContact C-N 3.34Å; S1134-N1136 PolarHBondContact O-N 3.12Å
1135L49.5Very low51.8Low89.8 Ų89.887.1 Ų87.147%0.4749%0.49SS..  trans-9793.5177.9-75.1166.4000110.4P947 G948 F1103 S1133 E1137 R1153P947-L1135 HydrophobicContact CB-CD1 4.01Å; G948-L1135 VanDerWaalsContact CA-CD2 3.48Å; F1103-L1135 HydrophobicContact CE1-CD1 3.98Å; S1133-L1135 VanDerWaalsContact C-N 3.29Å; S1133-L1135 PolarHBondContact O-N 3.09Å; L1135-E1137 VanDerWaalsContact C-N 3.34Å; L1135-E1137 HydrophobicContact CB-CG 4.3Å; L1135-E1137 PolarHBondContact O-N 2.98Å; L1135-R1153 HydrophobicContact CD2-CG 4.36Å
1136N56.3Low51.9Low88.2 Ų88.287.4 Ų87.447%0.47249%0.487SS..  trans-79.285.6174.3-74.9-23.6000110.4S1134 R1153 I1154S1134-N1136 VanDerWaalsContact C-N 3.34Å; S1134-N1136 PolarHBondContact O-N 3.12Å; N1136-R1153 CarbonylContact O-C 3.59Å; N1136-R1153 WeakPolarHBondContact O-CA 3.43Å; N1136-I1154 HydrophobicContact CB-CB 4.01Å; N1136-I1154 PolarHBondContact N-O 3.3Å; N1136-I1154 PolarHBondContact O-N 3.24Å
1137E63.3Low52.4Low24 Ų2484.8 Ų84.811%0.11247%0.472CS..EExtended strand (participates in β ladder)trans-119.7144178.7-61.6-167.1158.200111.4L926 P947 G948 P1123 L1135 R1151 V1152 R1153L926-E1137 HydrophobicContact CB-CB 4.41Å; L926-E1137 HydrophobicContact CD1-CB 4.21Å; L926-E1137 HydrophobicContact CG-CB 4.43Å; L926-E1137 PolarHBondContact N-OE2 2.92Å; P947-E1137 WeakPolarHBondContact CA-OE2 3.28Å; G948-E1137 WeakPolarHBondContact CA-OE1 3.46Å; G948-E1137 PolarHBondContact N-OE1 2.7Å; P1123-E1137 VanDerWaalsContact CD-O 3.3Å; P1123-E1137 WeakPolarHBondContact CD-O 3.41Å; L1135-E1137 VanDerWaalsContact C-N 3.34Å; L1135-E1137 HydrophobicContact CB-CG 4.3Å; L1135-E1137 PolarHBondContact O-N 2.98Å; E1137-R1151 IonicContact OE1-CZ 3.28Å; E1137-R1151 IonicContact OE1-NE 3.06Å; E1137-R1151 IonicContact OE1-NH2 3.35Å; E1137-R1151 PolarHBondContact OE1-NH2 3.39Å; E1137-R1151 IonicContact OE2-CZ 3.52Å; E1137-R1151 VanDerWaalsContact OE2-CZ 3.26Å; E1137-R1151 IonicContact OE2-NE 3.18Å; E1137-R1151 PolarHBondContact OE2-NE 3.18Å; E1137-R1151 IonicContact OE2-NH1 2.66Å; E1137-R1151 IonicContact OE2-NH2 3.09Å; E1137-R1151 PolarHBondContact OE2-NH2 3.18Å; E1137-V1152 CarbonylContact C-O 3.58Å; E1137-V1152 VanDerWaalsContact CA-O 3.29Å; E1137-V1152 WeakPolarHBondContact CA-O 3.33Å; E1137-R1153 HydrophobicContact CG-CB 4.23Å; E1137-R1153 HydrophobicContact CG-CG 4.05Å; E1137-R1153 WeakPolarHBondContact OE1-CD 3.34Å; E1137-R1153 WeakPolarHBondContact OE1-CG 3.49Å; E1137-R1153 IonicContact OE1-CZ 3.6Å; E1137-R1153 IonicContact OE1-NE 3.01Å; E1137-R1153 PolarHBondContact OE1-NE 3.05Å; E1137-R1153 IonicContact OE1-NH1 2.79Å; E1137-R1153 IonicContact OE1-NH2 3.62Å; E1137-R1153 PolarHBondContact OE1-NH2 3.23Å
1138A67.9Low53.5Low15.2 Ų15.278.9 Ų78.913%0.12644%0.439CS..EExtended strand (participates in β ladder)trans-138.8149174.300000110.8V1121 K1122 R1151 V1152 I1154V1121-A1138 CarbonylContact O-C 3.52Å; V1121-A1138 WeakPolarHBondContact O-CA 3.18Å; K1122-A1138 HydrophobicContact CB-CB 4.29Å; K1122-A1138 HydrophobicContact CD-CB 4.27Å; K1122-A1138 HydrophobicContact CG-CB 3.69Å; A1138-R1151 WeakPolarHBondContact O-CA 3.36Å; A1138-V1152 HydrophobicContact CB-CB 4.33Å; A1138-V1152 PolarHBondContact N-O 3.19Å; A1138-V1152 VanDerWaalsContact N-O 3.16Å; A1138-V1152 PolarHBondContact O-N 3.15Å; A1138-I1154 HydrophobicContact CB-CD1 3.85Å; A1138-I1154 HydrophobicContact CB-CG1 4.34Å
1139L70.4Confident55Low17.8 Ų17.874.6 Ų74.69%0.09341%0.411CS..EExtended strand (participates in β ladder)trans-105.3129.1169.6-104.7131.6000108.7I915 I917 L926 V928 L945 S1120 V1121 L1141 F1149 K1150 R1151I915-L1139 HydrophobicContact CD1-CD2 4.43Å; I915-L1139 HydrophobicContact CG2-CD2 4.02Å; I917-L1139 HydrophobicContact CD1-CD1 4.35Å; I917-L1139 HydrophobicContact CD1-CD2 3.97Å; L926-L1139 HydrophobicContact CB-CD1 4.43Å; L926-L1139 HydrophobicContact CD1-CD1 4.13Å; L926-L1139 HydrophobicContact CD1-CG 4.12Å; L926-L1139 HydrophobicContact CD2-CB 3.86Å; V928-L1139 HydrophobicContact CG2-CD1 3.53Å; V928-L1139 VanDerWaalsContact CG2-CD1 3.42Å; V928-L1139 HydrophobicContact CG2-CD2 4.24Å; V928-L1139 HydrophobicContact CG2-CG 4.46Å; L945-L1139 HydrophobicContact CD1-CD2 4.48Å; S1120-L1139 CarbonylContact C-O 3.6Å; S1120-L1139 VanDerWaalsContact CA-O 3.31Å; S1120-L1139 WeakPolarHBondContact CA-O 3.46Å; V1121-L1139 HydrophobicContact CB-CB 4.28Å; V1121-L1139 HydrophobicContact CB-CD2 4.42Å; V1121-L1139 PolarHBondContact N-O 3.25Å; V1121-L1139 PolarHBondContact O-N 2.95Å; V1121-L1139 VanDerWaalsContact O-N 3.07Å; L1139-L1141 HydrophobicContact CD2-CD2 4.19Å; L1139-F1149 HydrophobicContact CD1-CD2 3.66Å; L1139-F1149 HydrophobicContact CD1-CE2 4.16Å; L1139-F1149 HydrophobicContact CD2-CB 4.24Å; L1139-F1149 HydrophobicContact CD2-CD2 4.41Å; L1139-F1149 HydrophobicContact CD2-CE2 4.44Å; L1139-F1149 HydrophobicContact CG-CD2 4.44Å; L1139-K1150 CarbonylContact C-O 3.55Å; L1139-K1150 WeakPolarHBondContact CA-O 3.23Å; L1139-R1151 HydrophobicContact CD1-CB 4.43Å; L1139-R1151 HydrophobicContact CD2-CB 3.98Å; L1139-R1151 HydrophobicContact CD2-CG 4.03Å
1140L70.2Confident56.8Low23.8 Ų23.868.8 Ų68.813%0.12539%0.385CS..EExtended strand (participates in β ladder)trans-109.5121175.7-61178.5000109.2L1111 Y1118 V1119 V1121 F1149 K1150 V1152L1111-L1140 HydrophobicContact CD1-CD2 4.07Å; Y1118-L1140 HydrophobicContact CD1-CB 4.24Å; V1119-L1140 HydrophobicContact CB-CD2 4.46Å; V1119-L1140 WeakPolarHBondContact O-CA 3.03Å; V1121-L1140 HydrophobicContact CG2-CD2 3.9Å; L1140-F1149 CarbonylContact O-C 3.49Å; L1140-F1149 VanDerWaalsContact O-CA 3.23Å; L1140-F1149 WeakPolarHBondContact O-CA 3.27Å; L1140-F1149 WeakPolarHBondContact O-CB 3.42Å; L1140-K1150 HydrophobicContact CB-CB 4.38Å; L1140-K1150 PolarHBondContact N-O 2.99Å; L1140-K1150 PolarHBondContact O-N 3.02Å; L1140-V1152 HydrophobicContact CD1-CG2 4Å; L1140-V1152 HydrophobicContact CG-CG2 4.07Å
1141L69.8Low58.5Low21.6 Ų21.663 Ų6311%0.11335%0.352CS..EExtended strand (participates in β ladder)trans-99.4127.1176-57.8164.8000108.5W897 F899 F900 M902 I908 I915 Y1118 V1119 V1121 L1139 F1149W897-L1141 HydrophobicContact CD2-CB 4.45Å; W897-L1141 HydrophobicContact CD2-CD2 4.26Å; W897-L1141 HydrophobicContact CE3-CD2 4.06Å; W897-L1141 HydrophobicContact CH2-CD2 4.06Å; W897-L1141 HydrophobicContact CZ2-CB 4.23Å; W897-L1141 HydrophobicContact CZ2-CD2 4.3Å; W897-L1141 HydrophobicContact CZ3-CD2 3.94Å; F899-L1141 HydrophobicContact CE1-CD1 3.98Å; F899-L1141 HydrophobicContact CZ-CD1 3.65Å; F900-L1141 HydrophobicContact CE1-CD1 4.06Å; F900-L1141 HydrophobicContact CZ-CD1 4.48Å; M902-L1141 HydrophobicContact CE-CD1 3.85Å; M902-L1141 HydrophobicContact SD-CD1 4.4Å; I908-L1141 HydrophobicContact CD1-CD1 4.21Å; I908-L1141 HydrophobicContact CG2-CD1 3.93Å; I908-L1141 HydrophobicContact CG2-CD2 4.42Å; I915-L1141 HydrophobicContact CD1-CB 4.48Å; I915-L1141 HydrophobicContact CD1-CD1 3.29Å; I915-L1141 HydrophobicContact CD1-CD2 3.49Å; I915-L1141 VanDerWaalsContact CD1-CD2 3.41Å; I915-L1141 HydrophobicContact CD1-CG 3.86Å; Y1118-L1141 CarbonylContact C-O 3.55Å; Y1118-L1141 WeakPolarHBondContact CA-O 3.33Å; Y1118-L1141 WeakPolarHBondContact CB-O 3.19Å; V1119-L1141 HydrophobicContact CB-CB 4.28Å; V1119-L1141 HydrophobicContact CB-CD1 4.3Å; V1119-L1141 HydrophobicContact CG1-CD1 4.26Å; V1119-L1141 PolarHBondContact N-O 3.13Å; V1119-L1141 WeakPolarHBondContact O-CB 3.35Å; V1119-L1141 WeakPolarHBondContact O-CG 3.32Å; V1119-L1141 PolarHBondContact O-N 3.05Å; V1121-L1141 HydrophobicContact CG2-CD1 3.9Å; V1121-L1141 HydrophobicContact CG2-CG 4.28Å; L1139-L1141 HydrophobicContact CD2-CD2 4.19Å; L1141-F1149 HydrophobicContact CD2-CB 3.85Å; L1141-F1149 HydrophobicContact CD2-CD1 4.38Å; L1141-F1149 HydrophobicContact CD2-CE1 4.17Å
1142S67.3Low60Low18.2 Ų18.259.2 Ų59.213%0.12733%0.325CS..EExtended strand (participates in β ladder)trans-90.5143.9177.7-172.70000111W897 N1144 S1147 G1148W897-S1142 WeakPolarHBondContact CZ2-O 3.45Å; W897-S1142 PolarHBondContact NE1-O 2.76Å; S1142-N1144 VanDerWaalsContact C-N 3.27Å; S1142-N1144 WeakPolarHBondContact CB-O 3.41Å; S1142-N1144 CarbonylContact O-C 3.46Å; S1142-N1144 PolarHBondContact O-N 3.19Å; S1142-N1144 PolarHBondContact OG-N 3.22Å; S1142-S1147 WeakPolarHBondContact CB-OG 3.38Å; S1142-S1147 PolarHBondContact OG-OG 3.12Å; S1142-G1148 WeakPolarHBondContact CB-O 3.26Å; S1142-G1148 PolarHBondContact N-O 3.42Å
1143E61.9Low61.2Low87.8 Ų87.854.3 Ų54.341%0.4130%0.302SS..SBendtrans-66.1-23.7171.2-113.5171-159.900112.9W894 N895 W897 T1117 F1145W894-E1143 HydrophobicContact CH2-CB 3.69Å; W894-E1143 HydrophobicContact CZ2-CB 3.99Å; N895-E1143 WeakPolarHBondContact CB-OE1 3.31Å; N895-E1143 PolarHBondContact ND2-OE1 3.49Å; W897-E1143 HydrophobicContact CZ2-CG 3.71Å; W897-E1143 PolarHBondContact NE1-OE1 3.03Å; W897-E1143 VanDerWaalsContact NE1-OE1 3.11Å; T1117-E1143 WeakPolarHBondContact CA-OE2 3.44Å; T1117-E1143 VanDerWaalsContact CB-CD 3.49Å; T1117-E1143 WeakPolarHBondContact CB-OE1 3.48Å; T1117-E1143 VanDerWaalsContact CB-OE2 3.31Å; T1117-E1143 WeakPolarHBondContact CB-OE2 3.32Å; T1117-E1143 PolarHBondContact N-OE2 3.16Å; T1117-E1143 WeakPolarHBondContact O-CB 3.26Å; T1117-E1143 WeakPolarHBondContact O-CG 3.46Å; T1117-E1143 PolarHBondContact O-N 3.3Å; T1117-E1143 PolarHBondContact OG1-OE1 3.14Å; T1117-E1143 VanDerWaalsContact OG1-OE1 3.08Å; T1117-E1143 PolarHBondContact OG1-OE2 2.85Å; E1143-F1145 PolarHBondContact O-N 3.14Å
1144N61Low61.9Low91.2 Ų91.252.4 Ų52.449%0.48828%0.283SS..SBendtrans-80.4106.7172.5-115.2-21.5000109.8D1115 S1142 C1146 S1147D1115-N1144 PolarHBondContact O-ND2 2.7Å; S1142-N1144 VanDerWaalsContact C-N 3.27Å; S1142-N1144 WeakPolarHBondContact CB-O 3.41Å; S1142-N1144 CarbonylContact O-C 3.46Å; S1142-N1144 PolarHBondContact O-N 3.19Å; S1142-N1144 PolarHBondContact OG-N 3.22Å; N1144-C1146 PolarHBondContact O-N 3.21Å; N1144-C1146 VanDerWaalsContact O-N 3.16Å; N1144-C1146 WeakPolarHBondContact OD1-CB 3.42Å; N1144-C1146 PolarHBondContact OD1-N 2.89Å; N1144-C1146 VanDerWaalsContact OD1-N 3.08Å; N1144-S1147 WeakPolarHBondContact CB-OG 3.08Å; N1144-S1147 WeakPolarHBondContact O-CB 3.33Å; N1144-S1147 PolarHBondContact O-N 3.16Å; N1144-S1147 PolarHBondContact O-OG 3.16Å; N1144-S1147 VanDerWaalsContact O-OG 3.1Å; N1144-S1147 PolarHBondContact OD1-N 2.87Å
1145F58Low62Low122.8 Ų122.850.1 Ų50.154%0.53927%0.27SS..THydrogen-bonded Turntrans-52.6-27-178.517.3-86.9000114.5N895 F912 N933 A935 E1143 S1147 G1148N895-F1145 WeakPolarHBondContact O-CD1 3.28Å; F912-F1145 WeakPolarHBondContact CB-O 3.13Å; F912-F1145 HydrophobicContact CD2-CB 3.65Å; F912-F1145 HydrophobicContact CD2-CD1 4.25Å; F912-F1145 HydrophobicContact CD2-CD2 4.27Å; F912-F1145 HydrophobicContact CD2-CG 4.34Å; F912-F1145 HydrophobicContact CE2-CB 3.6Å; F912-F1145 HydrophobicContact CE2-CD1 4.23Å; F912-F1145 AromaticContact CE2-CD2 4Å; F912-F1145 HydrophobicContact CE2-CD2 4Å; F912-F1145 AromaticContact CE2-CE2 3.89Å; F912-F1145 HydrophobicContact CE2-CE2 3.89Å; F912-F1145 HydrophobicContact CE2-CG 4.13Å; F912-F1145 HydrophobicContact CG-CB 4.35Å; F912-F1145 WeakPolarHBondContact CG-O 3.34Å; F912-F1145 HydrophobicContact CZ-CB 4.26Å; N933-F1145 PolarHBondContact ND2-O 3.37Å; A935-F1145 HydrophobicContact CB-CD2 4.5Å; E1143-F1145 PolarHBondContact O-N 3.14Å; F1145-S1147 VanDerWaalsContact C-N 3.28Å; F1145-S1147 PolarHBondContact O-N 3.13Å; F1145-G1148 PolarHBondContact O-N 3.04Å
1146C56Low61.5Low76.2 Ų76.249.7 Ų49.752%0.51527%0.274SS..THydrogen-bonded Turntrans-80.7-13.6177.5-610000114.4N1144 G1148 Q1342 L1343N1144-C1146 PolarHBondContact O-N 3.21Å; N1144-C1146 VanDerWaalsContact O-N 3.16Å; N1144-C1146 WeakPolarHBondContact OD1-CB 3.42Å; N1144-C1146 PolarHBondContact OD1-N 2.89Å; N1144-C1146 VanDerWaalsContact OD1-N 3.08Å; C1146-G1148 VanDerWaalsContact C-N 3.28Å; C1146-G1148 PolarHBondContact O-N 3.25Å; C1146-Q1342 CarbonylContact O-C 3.55Å; C1146-Q1342 WeakPolarHBondContact O-CA 3.28Å; C1146-Q1342 VanDerWaalsContact O-CG 3.24Å; C1146-Q1342 WeakPolarHBondContact O-CG 3.42Å; C1146-L1343 WeakPolarHBondContact CA-O 3.25Å; C1146-L1343 PolarHBondContact O-N 3.37Å
1147S58.2Low60.6Low47 Ų4750.8 Ų50.833%0.32928%0.279SS..G310 helixtrans-98.512.3-175650000114.2S1142 N1144 F1145 F1149 N1339S1142-S1147 WeakPolarHBondContact CB-OG 3.38Å; S1142-S1147 PolarHBondContact OG-OG 3.12Å; N1144-S1147 WeakPolarHBondContact CB-OG 3.08Å; N1144-S1147 WeakPolarHBondContact O-CB 3.33Å; N1144-S1147 PolarHBondContact O-N 3.16Å; N1144-S1147 PolarHBondContact O-OG 3.16Å; N1144-S1147 VanDerWaalsContact O-OG 3.1Å; N1144-S1147 PolarHBondContact OD1-N 2.87Å; F1145-S1147 VanDerWaalsContact C-N 3.28Å; F1145-S1147 PolarHBondContact O-N 3.13Å; S1147-F1149 PolarHBondContact O-N 3.25Å; S1147-N1339 PolarHBondContact O-OD1 3.33Å
1148G63.5Low59.2Low16.8 Ų16.853.8 Ų53.817%0.17330%0.303CS..  trans62.8-154.1171.300000114.8S1142 F1145 C1146 K1150 S1340S1142-G1148 WeakPolarHBondContact CB-O 3.26Å; S1142-G1148 PolarHBondContact N-O 3.42Å; F1145-G1148 PolarHBondContact O-N 3.04Å; C1146-G1148 VanDerWaalsContact C-N 3.28Å; C1146-G1148 PolarHBondContact O-N 3.25Å; G1148-K1150 PolarHBondContact O-N 3.18Å; G1148-S1340 VanDerWaalsContact CA-OG 3.32Å; G1148-S1340 WeakPolarHBondContact CA-OG 3.42Å
1149F68.1Low57.4Low20.8 Ų20.861 Ų619%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-126.8148-177.958.4-87.9000113.1Y701 W897 A913 I915 C930 I931 H932 I943 L945 L1139 L1140 L1141 S1147 Y1338 S1340 L1343Y701-F1149 AromaticContact CE1-CE2 3.86Å; Y701-F1149 HydrophobicContact CE1-CE2 3.86Å; Y701-F1149 HydrophobicContact CE1-CZ 4.32Å; Y701-F1149 AromaticContact CZ-CE2 3.88Å; W897-F1149 HydrophobicContact CH2-CD1 4.02Å; A913-F1149 HydrophobicContact CB-CD1 4.43Å; A913-F1149 HydrophobicContact CB-CE1 3.91Å; I915-F1149 HydrophobicContact CD1-CB 3.86Å; I915-F1149 HydrophobicContact CD1-CD1 3.61Å; I915-F1149 VanDerWaalsContact CD1-CD1 3.43Å; I915-F1149 HydrophobicContact CD1-CD2 4.17Å; I915-F1149 HydrophobicContact CD1-CE1 3.88Å; I915-F1149 HydrophobicContact CD1-CE2 4.09Å; I915-F1149 HydrophobicContact CD1-CG 3.76Å; I915-F1149 HydrophobicContact CD1-CZ 3.89Å; I915-F1149 HydrophobicContact CG1-CD1 4.02Å; I915-F1149 HydrophobicContact CG1-CE1 4.19Å; I915-F1149 HydrophobicContact CG1-CZ 4.11Å; C930-F1149 HydrophobicContact CB-CE1 3.68Å; C930-F1149 HydrophobicContact CB-CE2 4.34Å; C930-F1149 HydrophobicContact CB-CZ 3.82Å; C930-F1149 WeakPolarHBondContact SG-CZ 3.23Å; I931-F1149 HydrophobicContact CB-CE1 4.23Å; I931-F1149 HydrophobicContact CD1-CD1 3.59Å; I931-F1149 HydrophobicContact CD1-CD2 3.79Å; I931-F1149 HydrophobicContact CD1-CE1 3.45Å; I931-F1149 VanDerWaalsContact CD1-CE1 3.45Å; I931-F1149 HydrophobicContact CD1-CE2 3.67Å; I931-F1149 HydrophobicContact CD1-CG 3.76Å; I931-F1149 HydrophobicContact CD1-CZ 3.49Å; I931-F1149 VanDerWaalsContact CD1-CZ 3.49Å; I931-F1149 HydrophobicContact CG1-CE1 4.39Å; I931-F1149 HydrophobicContact CG2-CD1 3.98Å; I931-F1149 HydrophobicContact CG2-CE1 4.14Å; H932-F1149 HydrophobicContact CB-CE1 4.32Å; H932-F1149 AromaticContact CD2-CE1 3.87Å; H932-F1149 AromaticContact CD2-CZ 3.64Å; I943-F1149 HydrophobicContact CD1-CE1 4.12Å; I943-F1149 HydrophobicContact CD1-CZ 4.47Å; L945-F1149 HydrophobicContact CD1-CE2 3.82Å; L945-F1149 HydrophobicContact CD1-CZ 4.07Å; L1139-F1149 HydrophobicContact CD1-CD2 3.66Å; L1139-F1149 HydrophobicContact CD1-CE2 4.16Å; L1139-F1149 HydrophobicContact CD2-CB 4.24Å; L1139-F1149 HydrophobicContact CD2-CD2 4.41Å; L1139-F1149 HydrophobicContact CD2-CE2 4.44Å; L1139-F1149 HydrophobicContact CG-CD2 4.44Å; L1140-F1149 CarbonylContact O-C 3.49Å; L1140-F1149 VanDerWaalsContact O-CA 3.23Å; L1140-F1149 WeakPolarHBondContact O-CA 3.27Å; L1140-F1149 WeakPolarHBondContact O-CB 3.42Å; L1141-F1149 HydrophobicContact CD2-CB 3.85Å; L1141-F1149 HydrophobicContact CD2-CD1 4.38Å; L1141-F1149 HydrophobicContact CD2-CE1 4.17Å; S1147-F1149 PolarHBondContact O-N 3.25Å; F1149-Y1338 HydrophobicContact CD2-CD1 4.35Å; F1149-Y1338 HydrophobicContact CD2-CD2 4.19Å; F1149-Y1338 HydrophobicContact CD2-CE1 4.46Å; F1149-Y1338 VanDerWaalsContact CE1-CB 3.49Å; F1149-Y1338 HydrophobicContact CE1-CD1 4.31Å; F1149-Y1338 AromaticContact CE1-CE1 3.78Å; F1149-Y1338 HydrophobicContact CE1-CE1 3.78Å; F1149-Y1338 HydrophobicContact CE1-CG 4.23Å; F1149-Y1338 AromaticContact CE2-CD1 3.62Å; F1149-Y1338 HydrophobicContact CE2-CD1 3.8Å; F1149-Y1338 AromaticContact CE2-CD2 3.47Å; F1149-Y1338 HydrophobicContact CE2-CD2 3.47Å; F1149-Y1338 VanDerWaalsContact CE2-CD2 3.47Å; F1149-Y1338 AromaticContact CE2-CE1 3.7Å; F1149-Y1338 HydrophobicContact CE2-CE1 3.7Å; F1149-Y1338 HydrophobicContact CE2-CE2 4.26Å; F1149-Y1338 AromaticContact CE2-CG 3.84Å; F1149-Y1338 HydrophobicContact CE2-CG 3.84Å; F1149-Y1338 AromaticContact CZ-CD1 3.45Å; F1149-Y1338 HydrophobicContact CZ-CD1 4.1Å; F1149-Y1338 VanDerWaalsContact CZ-CD1 3.45Å; F1149-Y1338 AromaticContact CZ-CD2 3.73Å; F1149-Y1338 HydrophobicContact CZ-CD2 3.73Å; F1149-Y1338 AromaticContact CZ-CE1 3.55Å; F1149-Y1338 HydrophobicContact CZ-CE1 3.73Å; F1149-Y1338 AromaticContact CZ-CG 3.58Å; F1149-Y1338 HydrophobicContact CZ-CG 3.58Å; F1149-Y1338 PolarHBondContact N-O 2.93Å; F1149-Y1338 PolarHBondContact O-N 3.28Å; F1149-S1340 PolarHBondContact N-OG 3.07Å; F1149-S1340 PolarHBondContact O-N 2.86Å; F1149-S1340 PolarHBondContact O-OG 3.38Å; F1149-L1343 HydrophobicContact CD1-CD1 4.38Å
1150K68.3Low55.4Low67.6 Ų67.668.1 Ų68.129%0.29436%0.364SS..EExtended strand (participates in β ladder)trans-119.1131.3179.6-68.1179.5171.2-146.50111.4L1139 L1140 G1148 V1152 H1335 E1336 T1337 Y1338 N1339L1139-K1150 CarbonylContact C-O 3.55Å; L1139-K1150 WeakPolarHBondContact CA-O 3.23Å; L1140-K1150 HydrophobicContact CB-CB 4.38Å; L1140-K1150 PolarHBondContact N-O 2.99Å; L1140-K1150 PolarHBondContact O-N 3.02Å; G1148-K1150 PolarHBondContact O-N 3.18Å; K1150-V1152 HydrophobicContact CB-CG2 4.31Å; K1150-H1335 VanDerWaalsContact CD-CE1 3.48Å; K1150-H1335 WeakPolarHBondContact CD-CE1 3.38Å; K1150-H1335 WeakPolarHBondContact CD-NE2 3.49Å; K1150-E1336 CarbonylContact C-O 3.58Å; K1150-E1336 WeakPolarHBondContact CA-O 3.35Å; K1150-E1336 WeakPolarHBondContact CD-OE1 3.33Å; K1150-E1336 WeakPolarHBondContact CD-OE2 3.38Å; K1150-E1336 WeakPolarHBondContact CE-OE2 3.19Å; K1150-E1336 IonicContact NZ-OE1 3.28Å; K1150-E1336 PolarHBondContact NZ-OE1 3.36Å; K1150-E1336 IonicContact NZ-OE2 3.61Å; K1150-E1336 PolarHBondContact NZ-OE2 2.98Å; K1150-T1337 HydrophobicContact CG-CG2 3.99Å; K1150-Y1338 CarbonylContact C-O 3.5Å; K1150-Y1338 WeakPolarHBondContact CA-O 3.31Å; K1150-N1339 VanDerWaalsContact CE-ND2 3.32Å; K1150-N1339 WeakPolarHBondContact CE-ND2 3.15Å; K1150-N1339 HydrophobicContact CG-CB 4.32Å; K1150-N1339 PolarHBondContact NZ-ND2 3.03Å; K1150-N1339 VanDerWaalsContact NZ-ND2 3.16Å
1151R68.1Low53.4Low28.4 Ų28.472.4 Ų72.411%0.10739%0.391CS..EExtended strand (participates in β ladder)trans-97126.6168.5-160.4-173.9178.7-176.73.2109.3Y667 L945 H946 E949 E1137 A1138 L1139 R1153 E1336 T1337 Y1338Y667-R1151 PolarHBondContact OH-NH1 3.35Å; Y667-R1151 VanDerWaalsContact OH-NH1 3.14Å; L945-R1151 PolarHBondContact O-NH2 2.83Å; H946-R1151 PolarHBondContact O-NH1 3.29Å; H946-R1151 PolarHBondContact O-NH2 2.98Å; E949-R1151 PolarHBondContact O-NH1 2.92Å; E1137-R1151 IonicContact OE1-CZ 3.28Å; E1137-R1151 IonicContact OE1-NE 3.06Å; E1137-R1151 IonicContact OE1-NH2 3.35Å; E1137-R1151 PolarHBondContact OE1-NH2 3.39Å; E1137-R1151 IonicContact OE2-CZ 3.52Å; E1137-R1151 VanDerWaalsContact OE2-CZ 3.26Å; E1137-R1151 IonicContact OE2-NE 3.18Å; E1137-R1151 PolarHBondContact OE2-NE 3.18Å; E1137-R1151 IonicContact OE2-NH1 2.66Å; E1137-R1151 IonicContact OE2-NH2 3.09Å; E1137-R1151 PolarHBondContact OE2-NH2 3.18Å; A1138-R1151 WeakPolarHBondContact O-CA 3.36Å; L1139-R1151 HydrophobicContact CD1-CB 4.43Å; L1139-R1151 HydrophobicContact CD2-CB 3.98Å; L1139-R1151 HydrophobicContact CD2-CG 4.03Å; R1151-R1153 VanDerWaalsContact NH2-CZ 3.29Å; R1151-R1153 VanDerWaalsContact NH2-NH1 3.16Å; R1151-E1336 HydrophobicContact CB-CB 4.37Å; R1151-E1336 PolarHBondContact N-O 2.73Å; R1151-E1336 PolarHBondContact O-N 3.44Å; R1151-T1337 WeakPolarHBondContact CD-OG1 3.5Å; R1151-T1337 WeakPolarHBondContact CG-OG1 3.37Å; R1151-T1337 PolarHBondContact O-N 3Å; R1151-T1337 PolarHBondContact O-OG1 3Å; R1151-Y1338 HydrophobicContact CB-CE2 4.08Å; R1151-Y1338 PolarHBondContact N-O 3.18Å; R1151-Y1338 PolarHBondContact O-N 3.21Å; R1151-Y1338 VanDerWaalsContact O-N 3.11Å
1152V65.4Low51.4Low27 Ų2777 Ų7716%0.16442%0.423CS..EExtended strand (participates in β ladder)trans-120.3131-177-179.30000109.7E1137 A1138 L1140 K1150 I1154 I1333 I1334 H1335 E1336E1137-V1152 CarbonylContact C-O 3.58Å; E1137-V1152 VanDerWaalsContact CA-O 3.29Å; E1137-V1152 WeakPolarHBondContact CA-O 3.33Å; A1138-V1152 HydrophobicContact CB-CB 4.33Å; A1138-V1152 PolarHBondContact N-O 3.19Å; A1138-V1152 VanDerWaalsContact N-O 3.16Å; A1138-V1152 PolarHBondContact O-N 3.15Å; L1140-V1152 HydrophobicContact CD1-CG2 4Å; L1140-V1152 HydrophobicContact CG-CG2 4.07Å; K1150-V1152 HydrophobicContact CB-CG2 4.31Å; V1152-I1154 HydrophobicContact CG1-CG1 3.9Å; V1152-I1333 HydrophobicContact CG1-CG2 4.36Å; V1152-I1334 HydrophobicContact CG1-CG2 3.57Å; V1152-H1335 CarbonylContact C-O 3.57Å; V1152-H1335 WeakPolarHBondContact CA-O 3.2Å; V1152-E1336 HydrophobicContact CG2-CG 4.44Å
1153R59.5Low49.5Very low64.2 Ų64.282.9 Ų82.924%0.24246%0.457CS..EExtended strand (participates in β ladder)trans-109138.6169.6-106.4-176.5-130.9159.18.4109.7G948 E949 L1135 N1136 E1137 R1151 A1155 I1333 I1334 H1335 E1336 T1337G948-R1153 VanDerWaalsContact C-CZ 3.49Å; G948-R1153 VanDerWaalsContact CA-CZ 3.45Å; G948-R1153 VanDerWaalsContact CA-NH2 3.29Å; G948-R1153 VanDerWaalsContact N-NH2 3.16Å; G948-R1153 PolarHBondContact O-NH1 3.37Å; E949-R1153 VanDerWaalsContact O-CZ 3.26Å; E949-R1153 PolarHBondContact O-NH1 3.29Å; E949-R1153 PolarHBondContact O-NH2 2.98Å; L1135-R1153 HydrophobicContact CD2-CG 4.36Å; N1136-R1153 CarbonylContact O-C 3.59Å; N1136-R1153 WeakPolarHBondContact O-CA 3.43Å; E1137-R1153 HydrophobicContact CG-CB 4.23Å; E1137-R1153 HydrophobicContact CG-CG 4.05Å; E1137-R1153 WeakPolarHBondContact OE1-CD 3.34Å; E1137-R1153 WeakPolarHBondContact OE1-CG 3.49Å; E1137-R1153 IonicContact OE1-CZ 3.6Å; E1137-R1153 IonicContact OE1-NE 3.01Å; E1137-R1153 PolarHBondContact OE1-NE 3.05Å; E1137-R1153 IonicContact OE1-NH1 2.79Å; E1137-R1153 IonicContact OE1-NH2 3.62Å; E1137-R1153 PolarHBondContact OE1-NH2 3.23Å; R1151-R1153 VanDerWaalsContact NH2-CZ 3.29Å; R1151-R1153 VanDerWaalsContact NH2-NH1 3.16Å; R1153-A1155 PolarHBondContact O-N 3.48Å; R1153-I1333 VanDerWaalsContact O-O 3.08Å; R1153-I1334 PolarHBondContact N-O 3.36Å; R1153-I1334 CarbonylContact O-C 3.58Å; R1153-I1334 WeakPolarHBondContact O-CA 3.44Å; R1153-I1334 PolarHBondContact O-N 3.28Å; R1153-H1335 HydrophobicContact CB-CB 4.34Å; R1153-H1335 PolarHBondContact N-O 3.37Å; R1153-H1335 PolarHBondContact O-N 3.12Å; R1153-E1336 IonicContact CZ-OE1 3.53Å; R1153-E1336 IonicContact NE-OE1 3.93Å; R1153-E1336 IonicContact NH2-OE1 3.07Å; R1153-E1336 PolarHBondContact NH2-OE1 3.3Å; R1153-E1336 IonicContact NH2-OE2 3.16Å; R1153-E1336 PolarHBondContact NH2-OE2 3.05Å; R1153-E1336 VanDerWaalsContact NH2-OE2 3.12Å; R1153-T1337 HydrophobicContact CB-CG2 3.73Å; R1153-T1337 VanDerWaalsContact CB-CG2 3.4Å; R1153-T1337 HydrophobicContact CG-CG2 3.97Å
1154I54.1Low47.9Very low57.2 Ų57.283.5 Ų83.529%0.29347%0.472SS..EExtended strand (participates in β ladder)trans-110.1112.5178.4-53.6175.9000107.9P1123 N1136 A1138 V1152 S1156 E1332 I1333 I1334P1123-I1154 HydrophobicContact CG-CG2 4.03Å; N1136-I1154 HydrophobicContact CB-CB 4.01Å; N1136-I1154 PolarHBondContact N-O 3.3Å; N1136-I1154 PolarHBondContact O-N 3.24Å; A1138-I1154 HydrophobicContact CB-CD1 3.85Å; A1138-I1154 HydrophobicContact CB-CG1 4.34Å; V1152-I1154 HydrophobicContact CG1-CG1 3.9Å; I1154-S1156 PolarHBondContact O-N 3Å; I1154-E1332 HydrophobicContact CG2-CB 4.19Å; I1154-E1332 HydrophobicContact CG2-CG 4.17Å; I1154-E1332 VanDerWaalsContact CG2-OE2 3.31Å; I1154-E1332 WeakPolarHBondContact CG2-OE2 3.49Å; I1154-I1333 WeakPolarHBondContact CA-O 3.17Å; I1154-I1334 HydrophobicContact CB-CD1 4.5Å; I1154-I1334 HydrophobicContact CB-CG1 4.17Å; I1154-I1334 HydrophobicContact CG1-CD1 4.04Å; I1154-I1334 HydrophobicContact CG1-CG1 4Å; I1154-I1334 HydrophobicContact CG2-CD1 4.11Å; I1154-I1334 HydrophobicContact CG2-CG1 4.01Å
1155A45.5Very low46.4Very low46.4 Ų46.484.4 Ų84.438%0.38349%0.485SS..EExtended strand (participates in β ladder)trans-101119.1177.500000111.3R1153 I1157 E1332 I1333R1153-A1155 PolarHBondContact O-N 3.48Å; A1155-I1157 PolarHBondContact O-N 3.23Å; A1155-E1332 PolarHBondContact N-O 3.02Å; A1155-E1332 WeakPolarHBondContact O-CA 3.33Å; A1155-E1332 WeakPolarHBondContact O-CB 3.07Å; A1155-E1332 WeakPolarHBondContact O-CG 3.32Å; A1155-I1333 HydrophobicContact CB-CB 4.3Å; A1155-I1333 PolarHBondContact N-O 2.95Å; A1155-I1333 PolarHBondContact O-N 3.08Å; A1155-I1333 VanDerWaalsContact O-N 3.1Å
1156S39.4Very low44.9Very low81 Ų8184.4 Ų84.457%0.56650%0.495SS*.EExtended strand (participates in β ladder)trans-87.8122.4175.5110.30000110.7I1154 S1158 E1332I1154-S1156 PolarHBondContact O-N 3Å; S1156-S1158 PolarHBondContact O-N 3.17Å; S1156-S1158 VanDerWaalsContact O-N 3.14Å; S1156-E1332 VanDerWaalsContact CB-CG 3.48Å
1157I37.4Very low43.5Very low111.8 Ų111.887.4 Ų87.457%0.57351%0.506SS*.  trans-84.5123.6176.6-61177.9000109.6A1155 K1159 P1330 N1331 I1333A1155-I1157 PolarHBondContact O-N 3.23Å; I1157-K1159 PolarHBondContact O-N 3.19Å; I1157-P1330 VanDerWaalsContact CD1-O 3.23Å; I1157-P1330 WeakPolarHBondContact CD1-O 3.34Å; I1157-N1331 PolarHBondContact N-O 3.05Å; I1157-I1333 HydrophobicContact CD1-CD1 3.84Å; I1157-I1333 HydrophobicContact CD1-CG1 3.85Å; I1157-I1333 HydrophobicContact CG1-CD1 4.13Å; I1157-I1333 HydrophobicContact CG1-CG1 4.02Å
1158S33.6Very low42Very low88 Ų8890.8 Ų90.862%0.61552%0.524SS*.  trans-74.8131.6170.851.50000112.5S1156 E1160S1156-S1158 PolarHBondContact O-N 3.17Å; S1156-S1158 VanDerWaalsContact O-N 3.14Å; S1158-E1160 PolarHBondContact O-N 2.92Å; S1158-E1160 VanDerWaalsContact O-N 3.13Å
1159K30.4Very low40.2Very low166 Ų16697.3 Ų97.372%0.72255%0.55SS**  trans-76.9118.9170.2-78.6-165.2177.1-179.80110.8I1157 T1161I1157-K1159 PolarHBondContact O-N 3.19Å; K1159-T1161 PolarHBondContact O-N 3.24Å
1160E28.5Very low38.3Very low167.2 Ų167.2104.3 Ų104.378%0.78158%0.581SS**  trans-79.1129144.6-82.1168.9136.600109.5S1158 P1162 R1747S1158-E1160 PolarHBondContact O-N 2.92Å; S1158-E1160 VanDerWaalsContact O-N 3.13Å; E1160-P1162 WeakPolarHBondContact O-CD 3Å; E1160-R1747 IonicContact OE1-CZ 3.79Å; E1160-R1747 IonicContact OE1-NH1 2.65Å; E1160-R1747 PolarHBondContact OE1-NH1 3.47Å; E1160-R1747 IonicContact OE1-NH2 3.27Å; E1160-R1747 PolarHBondContact OE1-NH2 2.91Å; E1160-R1747 IonicContact OE2-NH2 3.46Å
1161T28.6Very low36.3Very low113 Ų113106.8 Ų106.869%0.69360%0.597SS**  trans-86.90174.345.50000110.1K1159 V1163K1159-T1161 PolarHBondContact O-N 3.24Å; T1161-V1163 PolarHBondContact O-N 3.04Å; T1161-V1163 VanDerWaalsContact O-N 3.08Å
1162P27.7Very low34.3Very low119.2 Ų119.2112 Ų11277%0.77463%0.628SS**  0140.3030.8-30.9000111.8E1160 S1164E1160-P1162 WeakPolarHBondContact O-CD 3Å; P1162-S1164 VanDerWaalsContact C-N 3.31Å; P1162-S1164 PolarHBondContact O-N 3.14Å
1163V27.2Very low32.5Very low140.6 Ų140.6117 Ų11785%0.85266%0.658SS**  trans-90.9104.9172-179.20000111.7T1161 S1165T1161-V1163 PolarHBondContact O-N 3.04Å; T1161-V1163 VanDerWaalsContact O-N 3.08Å; V1163-S1165 PolarHBondContact O-N 2.73Å
1164S28.2Very low31Very low102 Ų102118.4 Ų118.471%0.71368%0.684SS**  trans-114.9127.9164.462.60000115.1P1162 V1166P1162-S1164 VanDerWaalsContact C-N 3.31Å; P1162-S1164 PolarHBondContact O-N 3.14Å; S1164-V1166 PolarHBondContact O-N 3.32Å; S1164-V1166 VanDerWaalsContact O-N 3.1Å
1165S28.4Very low29.7Very low108.6 Ų108.6120.9 Ų120.976%0.75971%0.707SS**  trans44.3120.2160.860.30000117.1V1163 N1167V1163-S1165 PolarHBondContact O-N 2.73Å; S1165-N1167 PolarHBondContact O-N 3.33Å
1166V27.4Very low28.8Very low124.2 Ų124.2127.7 Ų127.775%0.75373%0.727SS**  77.9109.5110.1168.50000113.9S1164S1164-V1166 PolarHBondContact O-N 3.32Å; S1164-V1166 VanDerWaalsContact O-N 3.1Å
1167N26.1Very low28.2Very low139.4 Ų139.4130.1 Ų130.175%0.74574%0.739SS**  trans94.8139132.1-76.9-7.9000118.5S1165S1165-N1167 PolarHBondContact O-N 3.33Å
1168T27.6Very low27.7Very low116.8 Ų116.8132.6 Ų132.672%0.71775%0.748SS**  trans66.6118.8135.844.20000116.7
1169E24.7Very low27.4Very low153 Ų153134.7 Ų134.772%0.71576%0.757SS**  101.1141.7110.1-82.4172.1-169.800117.2
1170F27.7Very low27.3Very low168.4 Ų168.4133.5 Ų133.574%0.73976%0.759SS**  trans102.2112.5150.1-82-75.9000117.5N1172F1170-N1172 PolarHBondContact O-N 3.38Å
1171N26.6Very low27.4Very low119.4 Ų119.4130.4 Ų130.464%0.63975%0.753SS**  46.9123.8125.6-83.1-15.7000118.8
1172N27.3Very low27.3Very low138.8 Ų138.8131.9 Ų131.974%0.74276%0.757SS**  trans76.3129.8136.4-71.8-22.1000118.4F1170F1170-N1172 PolarHBondContact O-N 3.38Å
1173T27.6Very low27.4Very low131.2 Ų131.2132.4 Ų132.481%0.80576%0.758SS**  -150.4129.994.721.80000112.7
1174A27Very low27.4Very low95.2 Ų95.2132.8 Ų132.879%0.78775%0.754SS**  trans84.8136.9153.200000116.3
1175S27Very low27.3Very low109.2 Ų109.2135.2 Ų135.276%0.76476%0.758SS**  -172.9134.774.954.20000114.1T1177S1175-T1177 PolarHBondContact O-N 3.05Å
1176K26.6Very low27.2Very low187.8 Ų187.8138.8 Ų138.882%0.81776%0.76SS**  trans-9.7133.8160.1-66.6173.5178.2176.60114.8
1177T26.8Very low27.2Very low131.6 Ų131.6137.9 Ų137.981%0.80776%0.76SS**  -159.1131.5115.724.60000110.7S1175 T1179S1175-T1177 PolarHBondContact O-N 3.05Å; T1177-T1179 PolarHBondContact O-N 3.3Å
1178Q26.3Very low27.3Very low165.4 Ų165.4137.3 Ų137.377%0.77376%0.761SS**  trans-99.5125.4160.3-118.3161.8-3500111.9N1180Q1178-N1180 PolarHBondContact O-N 2.79Å
1179T28.1Very low27.2Very low132 Ų132140.9 Ų140.981%0.8177%0.767SS**  trans-137.5132.3146.526.40000112.6T1177T1177-T1179 PolarHBondContact O-N 3.3Å
1180N27.4Very low27.3Very low139.8 Ų139.8143.7 Ų143.775%0.74877%0.771SS**  trans-120.2147.3-166.2-119.1-5.6000113.2Q1178 N1182Q1178-N1180 PolarHBondContact O-N 2.79Å; N1180-N1182 PolarHBondContact O-N 3.07Å
1181P30.2Very low27.2Very low102.8 Ų102.8144.2 Ų144.267%0.66878%0.775SS**  trans-95149.6-169.837.2-32.1000113.7
1182N26.6Very low27.2Very low143.8 Ų143.8143.4 Ų143.477%0.76978%0.779SS**  trans149.7102.7164.8-77.1-35000115.6N1180N1180-N1182 PolarHBondContact O-N 3.07Å
1183V29.8Very low27.1Very low131.4 Ų131.4147.5 Ų147.580%0.79678%0.784SS**  trans-165.598.2162.6-176.10000113.3
1184L27.1Very low27.1Very low147.4 Ų147.4145.9 Ų145.977%0.77278%0.778SS**  trans52.571149.9-75.8151.9000117.8K1186L1184-K1186 HydrophobicContact CD2-CD 3.98Å; L1184-K1186 HydrophobicContact CD2-CG 4.43Å; L1184-K1186 PolarHBondContact O-N 3.26Å
1185L26.4Very low27.1Very low153.2 Ų153.2150.7 Ų150.780%0.80278%0.782SS**  -16.5106.6117.4-153.8125.3000113.3
1186K27Very low27.1Very low184.4 Ų184.4152.7 Ų152.780%0.80278%0.782SS**  trans173.7126.6162.2-81.9172.9-176.7175.60113.4L1184L1184-K1186 HydrophobicContact CD2-CD 3.98Å; L1184-K1186 HydrophobicContact CD2-CG 4.43Å; L1184-K1186 PolarHBondContact O-N 3.26Å
1187S27.8Very low27.1Very low105.6 Ų105.6148.8 Ų148.874%0.73878%0.778SS**  trans137.2122.9149.457.80000113.7
1188T27.2Very low27Very low126.2 Ų126.2150.7 Ų150.777%0.77478%0.78SS**  80.3103.280.1600000116.3
1189K26.5Very low27Very low192 Ų192152.2 Ų152.284%0.83579%0.785SS**  26.4136129.1-78.5178.2178.1-177.80114.9
1190R26.3Very low26.9Very low212.4 Ų212.4150.8 Ų150.880%0.80278%0.78SS**  trans106.5125149.1-73.6-174172.7168.4-2115.4E535 D538E535-R1190 PolarHBondContact O-NH2 3.49Å; D538-R1190 IonicContact OD2-NH1 2.73Å
1191H26.6Very low26.9Very low177.6 Ų177.6152.3 Ų152.382%0.82278%0.783SS**  trans67.398.2131.8-71.1-58.2000117R1193H1191-R1193 PolarHBondContact O-N 2.94Å
1192S25.7Very low26.7Very low104.2 Ų104.2154.8 Ų154.873%0.72979%0.79SS**  trans-137109.2134.756.80000110.9
1193R25.9Very low26.8Very low224.4 Ų224.4154.5 Ų154.585%0.84779%0.788SS**  trans139.8113.1169.8-78.6178.8178.2-175.5-3113.5E535 H536 H1191 F1195E535-R1193 IonicContact OE2-CZ 3.16Å; E535-R1193 IonicContact OE2-NE 3.6Å; E535-R1193 IonicContact OE2-NH2 2.92Å; E535-R1193 PolarHBondContact OE2-NH2 2.87Å; H536-R1193 PolarHBondContact CE1-NH1 3.29Å; H536-R1193 PolarHBondContact NE2-NH1 3.44Å; H536-R1193 PolarHBondContact NE2-NH2 3.25Å; H1191-R1193 PolarHBondContact O-N 2.94Å; R1193-F1195 PolarHBondContact O-N 3.46Å
1194S27.9Very low26.6Very low96.8 Ų96.8155.6 Ų155.668%0.67779%0.789SS**  trans-137.193.8167.490.70000112.4I1196S1194-I1196 PolarHBondContact O-N 3.1Å; S1194-I1196 VanDerWaalsContact O-N 3.13Å
1195F25.9Very low26.7Very low196.6 Ų196.6154.2 Ų154.286%0.86279%0.788SS**SBendtrans-122.160.6156.8-84.4-77.4000114.8R1193R1193-F1195 PolarHBondContact O-N 3.46Å
1196I27.2Very low26.9Very low151.4 Ų151.4152 Ų15278%0.77678%0.783SS**  trans-141.270.5163.8-62.3168.3000110.8L462 S1194 M1198L462-I1196 HydrophobicContact CD1-CD1 3.9Å; L462-I1196 HydrophobicContact CD2-CD1 3.98Å; S1194-I1196 PolarHBondContact O-N 3.1Å; S1194-I1196 VanDerWaalsContact O-N 3.13Å; I1196-M1198 HydrophobicContact CG2-CB 4.41Å; I1196-M1198 HydrophobicContact CG2-CE 4.38Å; I1196-M1198 HydrophobicContact CG2-CG 3.47Å; I1196-M1198 VanDerWaalsContact CG2-CG 3.47Å; I1196-M1198 PolarHBondContact O-N 3.48Å
1197S25.6Very low26.8Very low104.8 Ų104.8148.3 Ų148.373%0.73378%0.781SS**  trans-141.347.3167.6630000113F1199S1197-F1199 PolarHBondContact O-N 3.03Å
1198M25.2Very low26.8Very low173.4 Ų173.4149.6 Ų149.685%0.85478%0.784SS**  trans-116.849.1174.1-96.2-174-177.700113.3I1196I1196-M1198 HydrophobicContact CG2-CB 4.41Å; I1196-M1198 HydrophobicContact CG2-CE 4.38Å; I1196-M1198 HydrophobicContact CG2-CG 3.47Å; I1196-M1198 VanDerWaalsContact CG2-CG 3.47Å; I1196-M1198 PolarHBondContact O-N 3.48Å
1199F26Very low26.6Very low196.6 Ų196.6148.3 Ų148.386%0.86278%0.78SS**SBendtrans-107.193.9158-81.6-77.8000112.6S1197S1197-F1199 PolarHBondContact O-N 3.03Å
1200S27.3Very low26.6Very low102.8 Ų102.8148.8 Ų148.872%0.71978%0.778SS**SBendtrans89.679.8171.273.60000116.7
1201Q27.4Very low26.6Very low171.4 Ų171.4143.8 Ų143.880%0.80177%0.771SS**  trans164.5105.4157.1-71.5172.5-17.400112.6D1203Q1201-D1203 PolarHBondContact O-N 2.98Å
1202L26.2Very low26.6Very low154.4 Ų154.4140.3 Ų140.381%0.80876%0.764SS**  -102.7119.4110.8-79.2151.2000112
1203D27.1Very low26.6Very low136.6 Ų136.6143.9 Ų143.973%0.7377%0.767SS**  -119.9144.9119-76.9-41000115.5Q1201 P1205Q1201-D1203 PolarHBondContact O-N 2.98Å; D1203-P1205 VanDerWaalsContact O-CD 3.23Å; D1203-P1205 WeakPolarHBondContact O-CD 3.32Å
1204L26.5Very low26.5Very low155.4 Ų155.4140.2 Ų140.281%0.81476%0.762SS**  trans-36.5147151.5-77.699.5000115P1206L1204-P1206 HydrophobicContact CD2-CG 4.12Å
1205P29Very low26.4Very low118.2 Ų118.2141.4 Ų141.477%0.76877%0.766SS**  -127.216885.133.8-17.1000113.5D1203D1203-P1205 VanDerWaalsContact O-CD 3.23Å; D1203-P1205 WeakPolarHBondContact O-CD 3.32Å
1206P29.9Very low26.3Very low107.2 Ų107.2137.9 Ų137.970%0.69676%0.761SS**  trans-98.3164.4-161.936-29.8000113.7L1204L1204-P1206 HydrophobicContact CD2-CG 4.12Å
1207S24.9Very low26.3Very low106.4 Ų106.4136.7 Ų136.774%0.74476%0.761SS**  trans57.9117.8144.260.90000119.1
1208V27.7Very low26.3Very low132.4 Ų132.4138.1 Ų138.180%0.80277%0.765SS**  -155.3127.8129.9173.30000111.1Y1210V1208-Y1210 HydrophobicContact CG1-CD2 3.91Å; V1208-Y1210 HydrophobicContact CG1-CE2 4.14Å; V1208-Y1210 PolarHBondContact O-N 3.03Å
1209S23.1Very low26.4Very low98.8 Ų98.8134.3 Ų134.369%0.69176%0.761SS**  trans-99.3140.1173.252.80000111.6
1210Y27.3Very low26.5Very low202.6 Ų202.6130.8 Ų130.880%0.79576%0.761SS**  trans-145.1126.8148.9-95.2-80.6000113.7V1208 P1212V1208-Y1210 HydrophobicContact CG1-CD2 3.91Å; V1208-Y1210 HydrophobicContact CG1-CE2 4.14Å; V1208-Y1210 PolarHBondContact O-N 3.03Å; Y1210-P1212 VanDerWaalsContact O-CD 3.28Å; Y1210-P1212 WeakPolarHBondContact O-CD 3.3Å
1211T25.2Very low26.6Very low107.4 Ų107.4129.3 Ų129.366%0.65976%0.762SS**  trans-63.9136.1162.251.80000114.8
1212P27.4Very low26.5Very low104 Ų104125.5 Ų125.568%0.67576%0.76SS**  trans-98.1163.6166.829.3-20.3000112.2Y1210Y1210-P1212 VanDerWaalsContact O-CD 3.28Å; Y1210-P1212 WeakPolarHBondContact O-CD 3.3Å
1213F25Very low26.5Very low180 Ų180124 Ų12479%0.78976%0.757SS**  trans-108.8137.3169.2-109.1-105.2000113.8
1214I25.1Very low26.5Very low146.4 Ų146.4124.4 Ų124.475%0.75176%0.758SS**  trans-102.2136.3160.5-66.1172.4000110.7T1216I1214-T1216 HydrophobicContact CG2-CG2 4.38Å
1215T24.9Very low26.5Very low123 Ų123123.3 Ų123.376%0.75575%0.753SS**  trans-134.311116617.10000114.1
1216T24.3Very low26.3Very low122 Ų122128.4 Ų128.475%0.74876%0.757SS**  trans-53.9141.2148.443.20000113.5I1214I1214-T1216 HydrophobicContact CG2-CG2 4.38Å
1217T26.3Very low26.2Very low127.4 Ų127.4128.1 Ų128.178%0.78276%0.757SS**  trans-153.4133.5134.932.70000112.6
1218T26.3Very low26.2Very low134 Ų134130.3 Ų130.382%0.82276%0.76SS**  trans16.8139.1153.553.10000118.4
1219A27.5Very low26.1Very low92.4 Ų92.4129.1 Ų129.176%0.76476%0.758SS**  trans170.4146.7144.300000114.7
1220S27.9Very low26.3Very low123.4 Ų123.4129.2 Ų129.286%0.86376%0.758SS**  trans115.6149.1162.558.90000114.4
1221G28.6Very low26.2Very low72 Ų72124.5 Ų124.574%0.74276%0.756SS**  cis133.7130.54900000111.6
1222A26.6Very low26.3Very low91.4 Ų91.4125.6 Ų125.676%0.75576%0.762SS**  85.1123.4129.900000113.4
1223T24.9Very low26.3Very low123.6 Ų123.6127.5 Ų127.576%0.75877%0.766SS**  111.9155.956.440.60000113.8
1224I28.4Very low26.4Very low145 Ų145124.1 Ų124.174%0.74477%0.765SS**  trans96.7111.3147.5-65.6163.5000116.9
1225N26Very low26.5Very low131.4 Ų131.4123.9 Ų123.970%0.70377%0.765SS**  73130.7125-78.6-20.4000121.5
1226R25Very low26.6Very low225.2 Ų225.2125.4 Ų125.485%0.8577%0.767SS**  trans61.6129.8136.2-73173.9179-173.1-1.2120.3
1227S26.9Very low26.9Very low100.6 Ų100.6125.3 Ų125.370%0.70377%0.766SS**  94.8133.4115.965.40000117.7
1228N25.7Very low26.9Very low153.2 Ų153.2125.2 Ų125.282%0.81977%0.766SS**  trans84.7140.9155.6-72-4.7000115.8
1229S26.2Very low26.9Very low107.8 Ų107.8124.2 Ų124.275%0.75476%0.762SS**  trans109.4143.4138.762.90000116.5
1230S26.3Very low26.8Very low99.4 Ų99.4126 Ų12670%0.69576%0.763SS**  trans76.9125.9152.254.60000117.4
1231S25.5Very low26.7Very low105.2 Ų105.2126.7 Ų126.774%0.73676%0.762SS**  76.8135.7115.577.10000119.1
1232V28.6Very low26.5Very low129.8 Ų129.8129 Ų12979%0.78777%0.766SS**  trans127115.4142.5179.80000113.3
1233N26.3Very low26.4Very low144 Ų144127.8 Ų127.877%0.7776%0.764SS**  trans-67.6142147.9-78-13.1000115.6
1234S28.2Very low26.4Very low108 Ų108128.4 Ų128.476%0.75577%0.767SS**  trans177.8129.6131.353.80000114.4
1235N25.6Very low26.2Very low143 Ų143126.5 Ų126.577%0.76577%0.767SS**  -11.1141.6129.1-74.6-19.3000113.9
1236I28.5Very low26.2Very low154.2 Ų154.2126.6 Ų126.679%0.79177%0.766SS**  160.8125.6128.4-83.5158.6000112
1237T28.9Very low26.2Very low120.2 Ų120.2126 Ų12674%0.73777%0.765SS**  trans23.4135.2149.343.40000119.6
1238T26.5Very low26.1Very low126.2 Ų126.2126.6 Ų126.677%0.77477%0.769SS**  trans-19.8158136.957.10000116.3
1239P27.6Very low26.1Very low112.8 Ų112.8127.4 Ų127.473%0.73277%0.768SS**  cis-134.6164.93.533.4-14.3000114.7V1241P1239-V1241 PolarHBondContact O-N 2.82Å; P1239-V1241 VanDerWaalsContact O-N 3.12Å
1240T24.1Very low26Very low130.2 Ų130.2127.3 Ų127.380%0.79977%0.767SS**  trans16.3120.3150.148.10000117.7
1241V26Very low26.1Very low138.2 Ų138.2129.2 Ų129.284%0.83877%0.768SS**  trans76.1122.4141.8174.30000115.6P1239 G1243P1239-V1241 PolarHBondContact O-N 2.82Å; P1239-V1241 VanDerWaalsContact O-N 3.12Å; V1241-G1243 PolarHBondContact O-N 3.36Å
1242S24.3Very low26.1Very low118.8 Ų118.8128.5 Ų128.583%0.83176%0.761SS**  trans-140.6135.7156.351.20000112.6T1244S1242-T1244 PolarHBondContact O-N 3.29Å
1243G25.1Very low26.1Very low67.8 Ų67.8129 Ų12970%0.69976%0.755SS**  trans175.585.8170.700000114.5V1241 S1245V1241-G1243 PolarHBondContact O-N 3.36Å; G1243-S1245 PolarHBondContact O-N 3.01Å
1244T25.2Very low26.3Very low134.8 Ų134.8127.9 Ų127.983%0.82775%0.748SS**  trans-59.3126.5158.339.10000114.5S1242 I1246S1242-T1244 PolarHBondContact O-N 3.29Å; T1244-I1246 WeakPolarHBondContact O-CG1 3.45Å; T1244-I1246 PolarHBondContact O-N 3.48Å; T1244-I1246 WeakPolarHBondContact OG1-CD1 3.39Å
1245S24.6Very low26.4Very low105.6 Ų105.6130 Ų13074%0.73874%0.743SS**  trans-44.3112.2170.156.70000115.4G1243 Y1247G1243-S1245 PolarHBondContact O-N 3.01Å; S1245-Y1247 VanDerWaalsContact C-N 3.33Å; S1245-Y1247 PolarHBondContact O-N 3.19Å
1246I25.1Very low26.6Very low133.2 Ų133.2127.5 Ų127.568%0.68373%0.73SS**  trans-124106.4150.3-59.6167.2000109.8T1244 Q1249T1244-I1246 WeakPolarHBondContact O-CG1 3.45Å; T1244-I1246 PolarHBondContact O-N 3.48Å; T1244-I1246 WeakPolarHBondContact OG1-CD1 3.39Å; I1246-Q1249 HydrophobicContact CG2-CB 4.11Å; I1246-Q1249 HydrophobicContact CG2-CG 4.15Å
1247Y24.6Very low26.7Very low213.6 Ų213.6126.8 Ų126.884%0.83872%0.722SS**  trans-178102.1158.8-85.7-74.4000112.2S1245S1245-Y1247 VanDerWaalsContact C-N 3.33Å; S1245-Y1247 PolarHBondContact O-N 3.19Å
1248S24.1Very low26.9Very low112.8 Ų112.8126 Ų12679%0.78971%0.713SS**  -177.785.4109.760.20000111.8S1250S1248-S1250 PolarHBondContact O-N 3.46Å
1249Q26.4Very low27.3Very low170.6 Ų170.6123.8 Ų123.880%0.79770%0.702SS**  trans-110.6127157.8-94.7177.4-15.200111.4I1246 I1251I1246-Q1249 HydrophobicContact CG2-CB 4.11Å; I1246-Q1249 HydrophobicContact CG2-CG 4.15Å; Q1249-I1251 PolarHBondContact O-N 3.27Å
1250S25.2Very low27.4Very low104 Ų104124.4 Ų124.473%0.72770%0.699SS**  trans-62.6142.9167.2450000113.3S1248 P1252S1248-S1250 PolarHBondContact O-N 3.46Å; S1250-P1252 VanDerWaalsContact O-CD 3.27Å; S1250-P1252 WeakPolarHBondContact O-CD 3.43Å
1251I26.8Very low27.9Very low141 Ų141123.2 Ų123.272%0.72369%0.687SS**  trans-56.2117.2163.3-59.7167.2000109.2Q1249 E1253 T1503Q1249-I1251 PolarHBondContact O-N 3.27Å; I1251-E1253 PolarHBondContact O-N 2.97Å; I1251-E1253 VanDerWaalsContact O-N 3.1Å; I1251-T1503 HydrophobicContact CD1-CG2 4.4Å
1252P26.5Very low28.2Very low89 Ų89122.4 Ų122.458%0.57868%0.678SS**  trans-73.5135.7174.5-5.316.9000111S1250 I1254 R1323 Y1855S1250-P1252 VanDerWaalsContact O-CD 3.27Å; S1250-P1252 WeakPolarHBondContact O-CD 3.43Å; P1252-I1254 PolarHBondContact O-N 2.89Å; P1252-I1254 VanDerWaalsContact O-N 3.07Å; P1252-R1323 PolarHBondContact O-NH2 2.87Å; P1252-R1323 VanDerWaalsContact O-NH2 3.08Å; P1252-Y1855 HydrophobicContact CB-CD2 3.5Å; P1252-Y1855 VanDerWaalsContact CB-CD2 3.5Å; P1252-Y1855 HydrophobicContact CB-CE2 3.71Å; P1252-Y1855 HydrophobicContact CB-CG 4.04Å; P1252-Y1855 HydrophobicContact CG-CD1 3.93Å; P1252-Y1855 HydrophobicContact CG-CD2 3.62Å; P1252-Y1855 HydrophobicContact CG-CE1 4.17Å; P1252-Y1855 HydrophobicContact CG-CE2 3.88Å; P1252-Y1855 HydrophobicContact CG-CG 3.63Å
1253E28Very low28.5Very low140 Ų140120.8 Ų120.865%0.65467%0.667SS**  trans-66.6125.9172.6-71.8176.315700110.1K1114 I1251 F1255 D1256 V1485 R1514K1114-E1253 WeakPolarHBondContact CD-OE1 3.47Å; K1114-E1253 WeakPolarHBondContact CE-OE1 3.24Å; K1114-E1253 IonicContact NZ-OE1 3.18Å; K1114-E1253 PolarHBondContact NZ-OE1 2.91Å; K1114-E1253 IonicContact NZ-OE2 3.6Å; K1114-E1253 PolarHBondContact NZ-OE2 2.9Å; I1251-E1253 PolarHBondContact O-N 2.97Å; I1251-E1253 VanDerWaalsContact O-N 3.1Å; E1253-F1255 HydrophobicContact CB-CD2 3.96Å; E1253-F1255 HydrophobicContact CB-CE2 4.31Å; E1253-F1255 HydrophobicContact CG-CD2 3.94Å; E1253-F1255 HydrophobicContact CG-CE2 3.87Å; E1253-F1255 PolarHBondContact O-N 3.16Å; E1253-F1255 WeakPolarHBondContact OE2-CD2 3.38Å; E1253-D1256 PolarHBondContact O-N 3.17Å; E1253-V1485 HydrophobicContact CG-CG1 4.09Å; E1253-V1485 HydrophobicContact CG-CG2 4Å; E1253-V1485 WeakPolarHBondContact OE1-CG1 3.32Å; E1253-V1485 WeakPolarHBondContact OE1-CG2 3.41Å; E1253-V1485 WeakPolarHBondContact OE2-CG2 3.46Å; E1253-R1514 IonicContact OE1-NH1 2.73Å; E1253-R1514 IonicContact OE2-NH1 3.6Å; E1253-R1514 PolarHBondContact OE2-NH1 3.49Å; E1253-R1514 IonicContact OE2-NH2 3.21Å
1254I30.3Very low28.6Very low121.4 Ų121.4124.9 Ų124.962%0.62367%0.672SS**THydrogen-bonded Turntrans-83.231.1-173.1-59.6155.2000112.1P1252 L1327 I1857P1252-I1254 PolarHBondContact O-N 2.89Å; P1252-I1254 VanDerWaalsContact O-N 3.07Å; I1254-L1327 HydrophobicContact CB-CD1 3.77Å; I1254-L1327 HydrophobicContact CB-CD2 4.23Å; I1254-L1327 HydrophobicContact CB-CG 3.84Å; I1254-L1327 HydrophobicContact CD1-CG 4.31Å; I1254-L1327 HydrophobicContact CG1-CD1 4.44Å; I1254-L1327 HydrophobicContact CG1-CG 4.34Å; I1254-L1327 HydrophobicContact CG2-CD1 3.5Å; I1254-L1327 HydrophobicContact CG2-CG 4.17Å; I1254-I1857 HydrophobicContact CD1-CD1 3.68Å; I1254-I1857 HydrophobicContact CD1-CG1 4.29Å; I1254-I1857 HydrophobicContact CD1-CG2 4.13Å; I1254-I1857 HydrophobicContact CG1-CD1 4.13Å
1255F29.9Very low28.8Very low152.2 Ų152.2123.6 Ų123.667%0.66867%0.669SS**THydrogen-bonded Turntrans-13249.5178.5-70.8-73.4000113E1253 F1257 L1327E1253-F1255 HydrophobicContact CB-CD2 3.96Å; E1253-F1255 HydrophobicContact CB-CE2 4.31Å; E1253-F1255 HydrophobicContact CG-CD2 3.94Å; E1253-F1255 HydrophobicContact CG-CE2 3.87Å; E1253-F1255 PolarHBondContact O-N 3.16Å; E1253-F1255 WeakPolarHBondContact OE2-CD2 3.38Å; F1255-F1257 VanDerWaalsContact C-N 3.28Å; F1255-F1257 HydrophobicContact CB-CD2 3.93Å; F1255-F1257 HydrophobicContact CB-CE2 4.03Å; F1255-F1257 HydrophobicContact CB-CZ 4.39Å; F1255-F1257 AromaticContact CD1-CE2 3.98Å; F1255-F1257 HydrophobicContact CD1-CE2 4.17Å; F1255-F1257 HydrophobicContact CD1-CZ 4.35Å; F1255-F1257 HydrophobicContact CG-CE2 4.14Å; F1255-F1257 HydrophobicContact CG-CZ 4.46Å; F1255-F1257 WeakPolarHBondContact O-CD2 3.33Å; F1255-F1257 PolarHBondContact O-N 3.02Å; F1255-L1327 HydrophobicContact CD2-CD2 4.25Å; F1255-L1327 HydrophobicContact CE1-CD2 4.27Å; F1255-L1327 HydrophobicContact CE2-CD2 3.46Å; F1255-L1327 VanDerWaalsContact CE2-CD2 3.46Å; F1255-L1327 HydrophobicContact CZ-CD2 3.47Å; F1255-L1327 VanDerWaalsContact CZ-CD2 3.47Å
1256D31.5Very low29Very low90.8 Ų90.8125.2 Ų125.249%0.48667%0.668SS.*  trans-85.590171.1-174.35.4000110.2E1253 D1258 S1259E1253-D1256 PolarHBondContact O-N 3.17Å; D1256-D1258 VanDerWaalsContact C-N 3.29Å; D1256-D1258 PolarHBondContact O-N 3.14Å; D1256-D1258 VanDerWaalsContact O-N 3.11Å; D1256-D1258 WeakPolarHBondContact OD1-CB 3.38Å; D1256-D1258 PolarHBondContact OD1-N 3.05Å; D1256-S1259 WeakPolarHBondContact O-CB 3.13Å; D1256-S1259 PolarHBondContact O-N 3Å; D1256-S1259 PolarHBondContact O-OG 2.9Å; D1256-S1259 PolarHBondContact OD1-N 2.8Å; D1256-S1259 VanDerWaalsContact OD2-CB 3.25Å; D1256-S1259 WeakPolarHBondContact OD2-CB 3.42Å; D1256-S1259 PolarHBondContact OD2-N 3.43Å; D1256-S1259 PolarHBondContact OD2-OG 3.01Å
1257F29.9Very low29.1Very low140.6 Ų140.6126.6 Ų126.662%0.61768%0.677SS**  trans-66.5-24.1179-82-86000113.1F1255 S1259 L1260 I1261F1255-F1257 VanDerWaalsContact C-N 3.28Å; F1255-F1257 HydrophobicContact CB-CD2 3.93Å; F1255-F1257 HydrophobicContact CB-CE2 4.03Å; F1255-F1257 HydrophobicContact CB-CZ 4.39Å; F1255-F1257 AromaticContact CD1-CE2 3.98Å; F1255-F1257 HydrophobicContact CD1-CE2 4.17Å; F1255-F1257 HydrophobicContact CD1-CZ 4.35Å; F1255-F1257 HydrophobicContact CG-CE2 4.14Å; F1255-F1257 HydrophobicContact CG-CZ 4.46Å; F1255-F1257 WeakPolarHBondContact O-CD2 3.33Å; F1255-F1257 PolarHBondContact O-N 3.02Å; F1257-S1259 VanDerWaalsContact C-N 3.32Å; F1257-S1259 PolarHBondContact O-N 3Å; F1257-L1260 WeakPolarHBondContact O-CA 3.27Å; F1257-L1260 WeakPolarHBondContact O-CB 3.23Å; F1257-L1260 PolarHBondContact O-N 3.01Å; F1257-L1260 VanDerWaalsContact O-N 3.11Å; F1257-I1261 WeakPolarHBondContact O-CG1 3.36Å; F1257-I1261 PolarHBondContact O-N 3.39Å; F1257-I1261 VanDerWaalsContact O-N 3.13Å
1258D32.8Very low29.3Very low102 Ų102121.5 Ų121.555%0.54566%0.663SS.*G310 helixtrans-72-29.2-179.2-69.6-32.5000111.5D1256 L1260 I1261 N1262 R1535D1256-D1258 VanDerWaalsContact C-N 3.29Å; D1256-D1258 PolarHBondContact O-N 3.14Å; D1256-D1258 VanDerWaalsContact O-N 3.11Å; D1256-D1258 WeakPolarHBondContact OD1-CB 3.38Å; D1256-D1258 PolarHBondContact OD1-N 3.05Å; D1258-L1260 VanDerWaalsContact C-N 3.29Å; D1258-L1260 PolarHBondContact O-N 2.96Å; D1258-I1261 PolarHBondContact O-N 3.02Å; D1258-I1261 VanDerWaalsContact O-N 3.12Å; D1258-N1262 WeakPolarHBondContact O-CB 3.25Å; D1258-N1262 PolarHBondContact O-N 3.14Å; D1258-N1262 VanDerWaalsContact O-N 3.1Å; D1258-N1262 PolarHBondContact O-ND2 2.86Å; D1258-N1262 VanDerWaalsContact O-ND2 3.13Å; D1258-R1535 IonicContact OD1-NH2 3.41Å; D1258-R1535 PolarHBondContact OD1-NH2 2.81Å; D1258-R1535 IonicContact OD2-NH2 3.95Å; D1258-R1535 PolarHBondContact OD2-NH2 3.07Å
1259S34.8Very low29.6Very low80 Ų80118.5 Ų118.556%0.55965%0.65SS**G310 helixtrans-64.5-23.5169.3-64.90000113.6D1256 F1257 S1263D1256-S1259 WeakPolarHBondContact O-CB 3.13Å; D1256-S1259 PolarHBondContact O-N 3Å; D1256-S1259 PolarHBondContact O-OG 2.9Å; D1256-S1259 PolarHBondContact OD1-N 2.8Å; D1256-S1259 VanDerWaalsContact OD2-CB 3.25Å; D1256-S1259 WeakPolarHBondContact OD2-CB 3.42Å; D1256-S1259 PolarHBondContact OD2-N 3.43Å; D1256-S1259 PolarHBondContact OD2-OG 3.01Å; F1257-S1259 VanDerWaalsContact C-N 3.32Å; F1257-S1259 PolarHBondContact O-N 3Å; S1259-S1263 WeakPolarHBondContact O-CB 3.29Å; S1259-S1263 PolarHBondContact O-N 3.47Å; S1259-S1263 PolarHBondContact O-OG 2.95Å
1260L31.1Very low29.7Very low124.8 Ų124.8117.2 Ų117.265%0.65365%0.654SS**G310 helixtrans-87.8-13.6179.2-125.2137.1000113.3F1257 D1258 L1374F1257-L1260 WeakPolarHBondContact O-CA 3.27Å; F1257-L1260 WeakPolarHBondContact O-CB 3.23Å; F1257-L1260 PolarHBondContact O-N 3.01Å; F1257-L1260 VanDerWaalsContact O-N 3.11Å; D1258-L1260 VanDerWaalsContact C-N 3.29Å; D1258-L1260 PolarHBondContact O-N 2.96Å; L1260-L1374 HydrophobicContact CD2-CD1 4.17Å
1261I34.2Very low29.9Very low106.2 Ų106.2115.7 Ų115.755%0.54565%0.648SS.*THydrogen-bonded Turntrans-102.2-26.8-175.3-67.2171.3000111.9F1257 D1258 S1263 S1527F1257-I1261 WeakPolarHBondContact O-CG1 3.36Å; F1257-I1261 PolarHBondContact O-N 3.39Å; F1257-I1261 VanDerWaalsContact O-N 3.13Å; D1258-I1261 PolarHBondContact O-N 3.02Å; D1258-I1261 VanDerWaalsContact O-N 3.12Å; I1261-S1263 VanDerWaalsContact C-N 3.28Å; I1261-S1263 PolarHBondContact O-N 2.84Å; I1261-S1527 WeakPolarHBondContact CG2-OG 3.37Å
1262N32.1Very low30.1Very low121.4 Ų121.4117 Ų11765%0.64965%0.645SS**SBendtrans-100.416.2-172.7-65.1-56.6000114.8D1258 D1264D1258-N1262 WeakPolarHBondContact O-CB 3.25Å; D1258-N1262 PolarHBondContact O-N 3.14Å; D1258-N1262 VanDerWaalsContact O-N 3.1Å; D1258-N1262 PolarHBondContact O-ND2 2.86Å; D1258-N1262 VanDerWaalsContact O-ND2 3.13Å; N1262-D1264 VanDerWaalsContact C-N 3.32Å; N1262-D1264 PolarHBondContact O-N 3.1Å; N1262-D1264 VanDerWaalsContact O-N 3.11Å
1263S29.6Very low30.2Very low85.6 Ų85.6119.1 Ų119.160%0.59965%0.65SS**  trans-85.485.1173.352.10000111.3S1259 I1261 S1265S1259-S1263 WeakPolarHBondContact O-CB 3.29Å; S1259-S1263 PolarHBondContact O-N 3.47Å; S1259-S1263 PolarHBondContact O-OG 2.95Å; I1261-S1263 VanDerWaalsContact C-N 3.28Å; I1261-S1263 PolarHBondContact O-N 2.84Å; S1263-S1265 PolarHBondContact O-N 3.07Å
1264D28.7Very low30.3Very low152.4 Ų152.4119 Ų11982%0.81566%0.655SS**  trans-53.4104176.5-82.1-38.8000112.2N1262 L1266N1262-D1264 VanDerWaalsContact C-N 3.32Å; N1262-D1264 PolarHBondContact O-N 3.1Å; N1262-D1264 VanDerWaalsContact O-N 3.11Å; D1264-L1266 PolarHBondContact O-N 2.85Å
1265S28.4Very low30.2Very low109.2 Ų109.2120.5 Ų120.576%0.76466%0.663SS**  trans110.381.3169.4530000115S1263 N1267S1263-S1265 PolarHBondContact O-N 3.07Å; S1265-N1267 PolarHBondContact O-N 2.92Å
1266L28.2Very low30Very low138.8 Ų138.8118.7 Ų118.773%0.72767%0.668SS**  trans-12386.5161.8-99161.9000110.8D1264 I1268 E1320D1264-L1266 PolarHBondContact O-N 2.85Å; L1266-I1268 HydrophobicContact CB-CD1 4.04Å; L1266-I1268 HydrophobicContact CB-CG1 4.12Å; L1266-I1268 HydrophobicContact CD2-CD1 3.59Å; L1266-I1268 VanDerWaalsContact CD2-CD1 3.47Å; L1266-I1268 HydrophobicContact CD2-CG1 3.97Å; L1266-I1268 HydrophobicContact CG-CD1 4.39Å; L1266-I1268 PolarHBondContact O-N 3.15Å; L1266-E1320 HydrophobicContact CD1-CG 4.31Å
1267N27.2Very low29.7Very low163 Ų163121.7 Ų121.787%0.87268%0.684SS**  trans-8485175.3-144.35.7000109.9S1265 G1269S1265-N1267 PolarHBondContact O-N 2.92Å; N1267-G1269 PolarHBondContact O-N 2.64Å
1268I30.5Very low29.5Very low106 Ų106121.1 Ų121.154%0.54469%0.692SS.*  trans-112.7111167.7-62.6142.3000107.4L1266 T1270 Y1272 L1313 H1524L1266-I1268 HydrophobicContact CB-CD1 4.04Å; L1266-I1268 HydrophobicContact CB-CG1 4.12Å; L1266-I1268 HydrophobicContact CD2-CD1 3.59Å; L1266-I1268 VanDerWaalsContact CD2-CD1 3.47Å; L1266-I1268 HydrophobicContact CD2-CG1 3.97Å; L1266-I1268 HydrophobicContact CG-CD1 4.39Å; L1266-I1268 PolarHBondContact O-N 3.15Å; I1268-T1270 PolarHBondContact O-N 3.33Å; I1268-Y1272 HydrophobicContact CG2-CD2 4.4Å; I1268-L1313 HydrophobicContact CD1-CD1 3.64Å; I1268-L1313 HydrophobicContact CD1-CG 4.43Å; I1268-L1313 HydrophobicContact CG1-CD1 3.92Å; I1268-L1313 HydrophobicContact CG2-CD1 4.07Å; I1268-L1313 HydrophobicContact CG2-CD2 4.1Å; I1268-L1313 HydrophobicContact CG2-CG 4.32Å; I1268-H1524 PolarHBondContact O-CE1 3.18Å; I1268-H1524 VanDerWaalsContact O-CE1 3.26Å; I1268-H1524 PolarHBondContact O-NE2 2.89Å
1269G28.8Very low29.2Very low48.6 Ų48.6122.9 Ų122.950%0.50171%0.707SS.*  trans-87.2153.1-17900000113.2N1267 A1271 Y1272N1267-G1269 PolarHBondContact O-N 2.64Å; G1269-A1271 VanDerWaalsContact C-N 3.28Å; G1269-A1271 PolarHBondContact O-N 3.17Å; G1269-Y1272 PolarHBondContact O-N 3.47Å
1270T29.5Very low28.8Very low143.2 Ų143.2124.1 Ų124.188%0.87972%0.715SS**SBendtrans13.111153.446.30000118.8I1268I1268-T1270 PolarHBondContact O-N 3.33Å
1271A30Very low28.5Very low73.8 Ų73.8126.8 Ų126.861%0.6172%0.722SS**  trans-91-22.2-179.400000115G1269 L1273G1269-A1271 VanDerWaalsContact C-N 3.28Å; G1269-A1271 PolarHBondContact O-N 3.17Å; A1271-L1273 PolarHBondContact O-N 3.2Å
1272Y29.9Very low28.2Very low167 Ų167129.8 Ų129.866%0.65573%0.734SS**THydrogen-bonded Turntrans-91.32.8-167.9-115.6-82.8000115.8I1268 G1269 D1310 L1313I1268-Y1272 HydrophobicContact CG2-CD2 4.4Å; G1269-Y1272 PolarHBondContact O-N 3.47Å; Y1272-D1310 WeakPolarHBondContact CE1-OD1 3.34Å; Y1272-D1310 VanDerWaalsContact CZ-OD1 3.27Å; Y1272-D1310 WeakPolarHBondContact OH-CA 3.22Å; Y1272-D1310 PolarHBondContact OH-OD1 3.47Å; Y1272-L1313 HydrophobicContact CD1-CD2 3.99Å; Y1272-L1313 HydrophobicContact CD2-CD2 4.06Å; Y1272-L1313 HydrophobicContact CE1-CD2 3.65Å; Y1272-L1313 HydrophobicContact CE2-CB 4.07Å; Y1272-L1313 HydrophobicContact CE2-CD2 3.69Å; Y1272-L1313 HydrophobicContact CE2-CG 4.33Å; Y1272-L1313 HydrophobicContact CG-CD2 4.22Å
1273L29.5Very low27.9Very low133.2 Ų133.2129.6 Ų129.670%0.69774%0.737SS**THydrogen-bonded Turntrans-102.7-7.9-177.3-77.5170000115A1271 L1275A1271-L1273 PolarHBondContact O-N 3.2Å; L1273-L1275 VanDerWaalsContact C-N 3.27Å; L1273-L1275 PolarHBondContact O-N 3.33Å; L1273-L1275 VanDerWaalsContact O-N 3.15Å
1274N28.8Very low27.8Very low139 Ų139131.4 Ų131.474%0.74375%0.745SS**SBendtrans-103.620.9-173.5-72.19.6000114.5
1275L28.2Very low27.7Very low152.2 Ų152.2129.6 Ų129.680%0.79774%0.739SS**SBendtrans-117.934.7179.7-110.288.4000114L1273L1273-L1275 VanDerWaalsContact C-N 3.27Å; L1273-L1275 PolarHBondContact O-N 3.33Å; L1273-L1275 VanDerWaalsContact O-N 3.15Å
1276C26.9Very low27.7Very low114.8 Ų114.8132.8 Ų132.878%0.77674%0.742SS**SBendtrans-135.46163.5-82.90000112.6T1278C1276-T1278 VanDerWaalsContact C-N 3.34Å; C1276-T1278 PolarHBondContact O-N 2.97Å
1277D25Very low27.7Very low154 Ų154130.6 Ų130.682%0.82474%0.739SS**  trans-95.161.6177.7-76.4-23000113.4
1278T25.9Very low27.8Very low127.8 Ų127.8129.5 Ų129.578%0.78473%0.733SS**  trans-147.894.2160.737.80000111.9C1276C1276-T1278 VanDerWaalsContact C-N 3.34Å; C1276-T1278 PolarHBondContact O-N 2.97Å
1279T26.9Very low27.8Very low140.6 Ų140.6131.3 Ų131.386%0.86374%0.742SS**  trans-146.7104.8154.130.90000110.5
1280S25.9Very low27.8Very low103.8 Ų103.8134.3 Ų134.373%0.72675%0.751SS**  trans-60.7131.7165.262.50000113.9
1281F25.2Very low27.9Very low181.6 Ų181.6133 Ų13380%0.79674%0.743SS**  trans22.8138.8171-85-89.6000112.5
1282E27Very low27.9Very low170.4 Ų170.4135.6 Ų135.680%0.79675%0.747SS**  -138.9146105.3-101167.9-163.100114.5
1283T25.6Very low27.9Very low117.4 Ų117.4135.9 Ų135.972%0.7275%0.751SS**  trans-133.2139150.934.30000113.4
1284T27Very low28.1Very low122.4 Ų122.4134.8 Ų134.875%0.75175%0.75SS**  trans98.4123151.547.70000116.8
1285T27Very low28.3Very low113.8 Ų113.8134.9 Ų134.970%0.69875%0.751SS**  82.6124.290.347.70000117.1
1286E28.7Very low28.6Very low176.6 Ų176.6135 Ų13583%0.82575%0.752SS**  112.3127128.3-88.4174.4-155.500116.5
1287S28.1Very low28.9Very low93.6 Ų93.6136.3 Ų136.366%0.65575%0.751SS**  124.7146.56667.80000116.2
1288N29.8Very low29.3Very low140.2 Ų140.2135.7 Ų135.775%0.7575%0.748SS**  trans106.6142.4142.3-72.2-26000118.7
1289I31.3Very low29.6Very low144 Ų144139.2 Ų139.274%0.73875%0.749SS**  trans111109.8136.3-71.7168.2000112.3
1290T28.1Very low29.8Very low111.4 Ų111.4139.5 Ų139.568%0.68375%0.745SS**  75.614171.4570000117.7
1291T30.7Very low30.1Very low116.4 Ų116.4142.2 Ų142.271%0.71475%0.751SS**  trans102.7148141.350.30000115.1
1292D30.5Very low30.3Very low128.4 Ų128.4136.5 Ų136.569%0.68774%0.744SS**  cis-164.515716.1-105.1-31000113.5
1293F30.9Very low30.5Very low172.4 Ų172.4135.3 Ų135.376%0.75674%0.743SS**  trans41.4138.1161.8-67.2-74.1000118
1294T32.8Very low30.7Very low110.4 Ų110.4140.4 Ų140.468%0.67775%0.749SS**  102146.370.837.10000116.6
1295D32.4Very low30.8Very low141.6 Ų141.6143.9 Ų143.976%0.75775%0.753SS**  -160.7159.5110.1-68.4-32.9000115.5
1296D35.2Very low30.9Very low154.2 Ų154.2147 Ų14783%0.82576%0.758SS**  trans118.9117.1139.5-91.4-10.5000118.3
1297D33.2Very low31.2Very low141 Ų141142.4 Ų142.475%0.75475%0.745SS**  trans4.5123.2144.5-77.8-12.4000119.4
1298N33.7Very low31.6Very low141.2 Ų141.2146.6 Ų146.676%0.75575%0.752SS**  168.4137.5114.4-103.7-64.8000116.8
1299Y32.4Very low31.8Very low202 Ų202143.5 Ų143.579%0.79274%0.738SS**  trans13.2117.3158.4-86.2-100.4000119.6
1300N31.3Very low31.9Very low146 Ų146141.2 Ų141.278%0.78173%0.727SS**  117.5127.5128.2-83-19.4000117.5G1302N1300-G1302 PolarHBondContact O-N 3.5Å
1301D30.6Very low32.4Very low161.2 Ų161.2142.2 Ų142.286%0.86272%0.724SS**  trans68.2128.8130.9-165.723.9000115.5
1302G29.9Very low32.7Very low62.4 Ų62.4140.2 Ų140.264%0.64372%0.715SS**  trans133.178.2152.800000115.9N1300 R1304N1300-G1302 PolarHBondContact O-N 3.5Å; G1302-R1304 VanDerWaalsContact C-N 3.31Å; G1302-R1304 PolarHBondContact O-N 2.97Å
1303D31.7Very low33.1Very low144.2 Ų144.2138.6 Ų138.677%0.77171%0.705SS**  trans-61.2112165.2-120.8-22.2000116.6K1305D1303-K1305 VanDerWaalsContact C-N 3.32Å; D1303-K1305 PolarHBondContact O-N 2.91Å
1304R29.9Very low33.6Very low224.6 Ų224.6133.5 Ų133.585%0.84869%0.689SS**  trans-81.893.8164.9-71.2178.5-174.2-166.61113.5G1302 F1306G1302-R1304 VanDerWaalsContact C-N 3.31Å; G1302-R1304 PolarHBondContact O-N 2.97Å; R1304-F1306 WeakPolarHBondContact O-CD2 3.13Å; R1304-F1306 PolarHBondContact O-N 3.42Å; R1304-F1306 VanDerWaalsContact O-N 3.17Å
1305K29.6Very low34.3Very low195.4 Ų195.4132.5 Ų132.585%0.8568%0.679SS**  trans-131.651152.5-95.3161.3-174.9167.60115.8D1303 S1307D1303-K1305 VanDerWaalsContact C-N 3.32Å; D1303-K1305 PolarHBondContact O-N 2.91Å; K1305-S1307 PolarHBondContact O-N 2.87Å
1306F28.6Very low34.9Very low179.6 Ų179.6127.9 Ų127.979%0.78866%0.66SS**  trans-105.7106.4170.6-91.4-88.5000111.8R1304 K1308 T1309R1304-F1306 WeakPolarHBondContact O-CD2 3.13Å; R1304-F1306 PolarHBondContact O-N 3.42Å; R1304-F1306 VanDerWaalsContact O-N 3.17Å; F1306-K1308 VanDerWaalsContact C-N 3.31Å; F1306-K1308 PolarHBondContact O-N 2.8Å; F1306-K1308 VanDerWaalsContact O-N 3.13Å; F1306-T1309 HydrophobicContact CD1-CG2 3.97Å; F1306-T1309 HydrophobicContact CE1-CG2 3.99Å; F1306-T1309 PolarHBondContact O-N 2.75Å; F1306-T1309 PolarHBondContact O-OG1 2.84Å; F1306-T1309 VanDerWaalsContact O-OG1 3.08Å
1307S33.8Very low35.3Very low80.2 Ų80.2123.6 Ų123.656%0.56164%0.64SS**  trans-105.615.6-174.752.10000114.6K1305 T1309 D1310 Q1311K1305-S1307 PolarHBondContact O-N 2.87Å; S1307-T1309 PolarHBondContact O-N 3.11Å; S1307-T1309 PolarHBondContact OG-OG1 3.46Å; S1307-D1310 PolarHBondContact O-N 2.91Å; S1307-Q1311 VanDerWaalsContact O-CB 3.22Å; S1307-Q1311 WeakPolarHBondContact O-CB 3.37Å; S1307-Q1311 PolarHBondContact O-N 3.38Å
1308K36.3Very low36Very low182.2 Ų182.2121.2 Ų121.279%0.79263%0.627SS**Hα-helixtrans-75.9-19.4-175.8-72.2-176.7174.6-179.60115.4F1306 S1312F1306-K1308 VanDerWaalsContact C-N 3.31Å; F1306-K1308 PolarHBondContact O-N 2.8Å; F1306-K1308 VanDerWaalsContact O-N 3.13Å; K1308-S1312 WeakPolarHBondContact O-CB 3.35Å; K1308-S1312 PolarHBondContact O-N 3.26Å
1309T34.3Very low36.8Very low75.6 Ų75.6120.3 Ų120.346%0.46462%0.62SS.*Hα-helixtrans-69.4-43179.938.70000112.2F1306 S1307 Q1311 S1312 L1313F1306-T1309 HydrophobicContact CD1-CG2 3.97Å; F1306-T1309 HydrophobicContact CE1-CG2 3.99Å; F1306-T1309 PolarHBondContact O-N 2.75Å; F1306-T1309 PolarHBondContact O-OG1 2.84Å; F1306-T1309 VanDerWaalsContact O-OG1 3.08Å; S1307-T1309 PolarHBondContact O-N 3.11Å; S1307-T1309 PolarHBondContact OG-OG1 3.46Å; T1309-Q1311 VanDerWaalsContact C-N 3.31Å; T1309-Q1311 PolarHBondContact O-N 3.02Å; T1309-S1312 CarbonylContact O-C 3.49Å; T1309-S1312 WeakPolarHBondContact O-CA 3.37Å; T1309-S1312 VanDerWaalsContact O-CB 3.31Å; T1309-S1312 WeakPolarHBondContact O-CB 3.3Å; T1309-S1312 PolarHBondContact O-N 3.05Å; T1309-S1312 PolarHBondContact O-OG 3.02Å; T1309-L1313 WeakPolarHBondContact O-CB 3.42Å; T1309-L1313 PolarHBondContact O-N 3.09Å
1310D33.8Very low37.5Very low94.6 Ų94.6115 Ų11551%0.50660%0.602SS.*Hα-helixtrans-73.2-30.7-173.6-59.9-24.6000112Y1272 S1307 S1312 L1313 T1314Y1272-D1310 WeakPolarHBondContact CE1-OD1 3.34Å; Y1272-D1310 VanDerWaalsContact CZ-OD1 3.27Å; Y1272-D1310 WeakPolarHBondContact OH-CA 3.22Å; Y1272-D1310 PolarHBondContact OH-OD1 3.47Å; S1307-D1310 PolarHBondContact O-N 2.91Å; D1310-S1312 VanDerWaalsContact C-N 3.35Å; D1310-S1312 PolarHBondContact O-N 2.86Å; D1310-L1313 PolarHBondContact O-N 3.11Å; D1310-T1314 WeakPolarHBondContact O-CB 3.34Å; D1310-T1314 WeakPolarHBondContact O-CG2 3.3Å; D1310-T1314 PolarHBondContact O-N 3.18Å; D1310-T1314 VanDerWaalsContact O-N 3.16Å; D1310-T1314 PolarHBondContact O-OG1 3.16Å; D1310-T1314 VanDerWaalsContact O-OG1 3.14Å
1311Q38.1Very low38.1Very low133.2 Ų133.2112.3 Ų112.362%0.62259%0.587SS**Hα-helixtrans-69.1-29.6170.7-104.1177.23.500112.6S1307 T1309 L1313 T1314 N1315S1307-Q1311 VanDerWaalsContact O-CB 3.22Å; S1307-Q1311 WeakPolarHBondContact O-CB 3.37Å; S1307-Q1311 PolarHBondContact O-N 3.38Å; T1309-Q1311 VanDerWaalsContact C-N 3.31Å; T1309-Q1311 PolarHBondContact O-N 3.02Å; Q1311-L1313 VanDerWaalsContact C-N 3.34Å; Q1311-T1314 WeakPolarHBondContact CA-OG1 3.35Å; Q1311-T1314 PolarHBondContact O-OG1 3.21Å; Q1311-N1315 VanDerWaalsContact O-CB 3.26Å; Q1311-N1315 WeakPolarHBondContact O-CB 3.32Å; Q1311-N1315 VanDerWaalsContact O-CG 3.27Å; Q1311-N1315 PolarHBondContact O-N 3.06Å; Q1311-N1315 VanDerWaalsContact O-N 3.08Å; Q1311-N1315 PolarHBondContact O-ND2 3.15Å; Q1311-N1315 VanDerWaalsContact O-ND2 3.14Å; Q1311-N1315 PolarHBondContact O-OD1 3.26Å
1312S38.5Very low38.9Very low74.6 Ų74.6107 Ų10752%0.52256%0.563SS.*Hα-helixtrans-73.8-38.6174.874.20000112.1K1308 T1309 D1310 N1315 A1316K1308-S1312 WeakPolarHBondContact O-CB 3.35Å; K1308-S1312 PolarHBondContact O-N 3.26Å; T1309-S1312 CarbonylContact O-C 3.49Å; T1309-S1312 WeakPolarHBondContact O-CA 3.37Å; T1309-S1312 VanDerWaalsContact O-CB 3.31Å; T1309-S1312 WeakPolarHBondContact O-CB 3.3Å; T1309-S1312 PolarHBondContact O-N 3.05Å; T1309-S1312 PolarHBondContact O-OG 3.02Å; D1310-S1312 VanDerWaalsContact C-N 3.35Å; D1310-S1312 PolarHBondContact O-N 2.86Å; S1312-N1315 PolarHBondContact O-N 3.07Å; S1312-A1316 WeakPolarHBondContact O-CB 3.43Å; S1312-A1316 PolarHBondContact O-N 3.09Å
1313L37.9Very low39.8Very low93.4 Ų93.4110.1 Ų110.149%0.48956%0.555SS.*Hα-helixtrans-69.4-44.2178.2-170.466.7000111.7I1268 Y1272 T1309 D1310 Q1311 N1315 A1316 T1317I1268-L1313 HydrophobicContact CD1-CD1 3.64Å; I1268-L1313 HydrophobicContact CD1-CG 4.43Å; I1268-L1313 HydrophobicContact CG1-CD1 3.92Å; I1268-L1313 HydrophobicContact CG2-CD1 4.07Å; I1268-L1313 HydrophobicContact CG2-CD2 4.1Å; I1268-L1313 HydrophobicContact CG2-CG 4.32Å; Y1272-L1313 HydrophobicContact CD1-CD2 3.99Å; Y1272-L1313 HydrophobicContact CD2-CD2 4.06Å; Y1272-L1313 HydrophobicContact CE1-CD2 3.65Å; Y1272-L1313 HydrophobicContact CE2-CB 4.07Å; Y1272-L1313 HydrophobicContact CE2-CD2 3.69Å; Y1272-L1313 HydrophobicContact CE2-CG 4.33Å; Y1272-L1313 HydrophobicContact CG-CD2 4.22Å; T1309-L1313 WeakPolarHBondContact O-CB 3.42Å; T1309-L1313 PolarHBondContact O-N 3.09Å; D1310-L1313 PolarHBondContact O-N 3.11Å; Q1311-L1313 VanDerWaalsContact C-N 3.34Å; L1313-N1315 VanDerWaalsContact C-N 3.31Å; L1313-N1315 PolarHBondContact O-N 3.09Å; L1313-A1316 WeakPolarHBondContact O-CB 3.33Å; L1313-A1316 PolarHBondContact O-N 3.1Å; L1313-A1316 VanDerWaalsContact O-N 3.11Å; L1313-T1317 WeakPolarHBondContact O-CG2 3.22Å; L1313-T1317 PolarHBondContact O-N 3.04Å; L1313-T1317 PolarHBondContact O-OG1 3.13Å
1314T41.3Very low40.5Very low65.4 Ų65.4106.5 Ų106.540%0.40154%0.535SS..Hα-helixtrans-65.9-34.9174.847.70000112.5D1310 Q1311 A1316 T1317 N1318D1310-T1314 WeakPolarHBondContact O-CB 3.34Å; D1310-T1314 WeakPolarHBondContact O-CG2 3.3Å; D1310-T1314 PolarHBondContact O-N 3.18Å; D1310-T1314 VanDerWaalsContact O-N 3.16Å; D1310-T1314 PolarHBondContact O-OG1 3.16Å; D1310-T1314 VanDerWaalsContact O-OG1 3.14Å; Q1311-T1314 WeakPolarHBondContact CA-OG1 3.35Å; Q1311-T1314 PolarHBondContact O-OG1 3.21Å; T1314-A1316 VanDerWaalsContact C-N 3.34Å; T1314-T1317 WeakPolarHBondContact CA-OG1 3.34Å; T1314-T1317 PolarHBondContact O-N 2.98Å; T1314-T1317 PolarHBondContact O-OG1 3.21Å; T1314-T1317 VanDerWaalsContact O-OG1 3.12Å; T1314-N1318 WeakPolarHBondContact O-CB 3.35Å; T1314-N1318 PolarHBondContact O-N 3.14Å; T1314-N1318 VanDerWaalsContact O-N 3.11Å; T1314-N1318 PolarHBondContact O-ND2 3.27Å; T1314-N1318 VanDerWaalsContact O-ND2 3.14Å
1315N47.4Very low41.1Very low90.4 Ų90.4100 Ų10048%0.48352%0.518SS..Hα-helixtrans-67.9-35.6172-76.8-27.4000112.3Q1311 S1312 L1313 N1318 M1319Q1311-N1315 VanDerWaalsContact O-CB 3.26Å; Q1311-N1315 WeakPolarHBondContact O-CB 3.32Å; Q1311-N1315 VanDerWaalsContact O-CG 3.27Å; Q1311-N1315 PolarHBondContact O-N 3.06Å; Q1311-N1315 VanDerWaalsContact O-N 3.08Å; Q1311-N1315 PolarHBondContact O-ND2 3.15Å; Q1311-N1315 VanDerWaalsContact O-ND2 3.14Å; Q1311-N1315 PolarHBondContact O-OD1 3.26Å; S1312-N1315 PolarHBondContact O-N 3.07Å; L1313-N1315 VanDerWaalsContact C-N 3.31Å; L1313-N1315 PolarHBondContact O-N 3.09Å; N1315-N1318 PolarHBondContact O-N 3.39Å; N1315-M1319 HydrophobicContact CB-CE 4.5Å; N1315-M1319 VanDerWaalsContact O-CB 3.25Å; N1315-M1319 WeakPolarHBondContact O-CB 3.18Å; N1315-M1319 WeakPolarHBondContact O-CE 3.15Å; N1315-M1319 VanDerWaalsContact O-CG 3.29Å; N1315-M1319 WeakPolarHBondContact O-CG 3.44Å; N1315-M1319 PolarHBondContact O-N 3.13Å
1316A45.7Very low41.8Very low43.8 Ų43.897.6 Ų97.636%0.36251%0.507SS..Hα-helixtrans-66.9-45174.400000112S1312 L1313 T1314 N1318 M1319 E1320S1312-A1316 WeakPolarHBondContact O-CB 3.43Å; S1312-A1316 PolarHBondContact O-N 3.09Å; L1313-A1316 WeakPolarHBondContact O-CB 3.33Å; L1313-A1316 PolarHBondContact O-N 3.1Å; L1313-A1316 VanDerWaalsContact O-N 3.11Å; T1314-A1316 VanDerWaalsContact C-N 3.34Å; A1316-N1318 VanDerWaalsContact C-N 3.34Å; A1316-N1318 PolarHBondContact O-N 3.12Å; A1316-M1319 PolarHBondContact O-N 3.1Å; A1316-E1320 PolarHBondContact O-N 3.03Å
1317T42.9Very low42.4Very low65.2 Ų65.293.3 Ų93.340%0.449%0.492SS..Hα-helixtrans-65.8-37.4175.855.60000112.1L1313 T1314 M1319 E1320 L1321L1313-T1317 WeakPolarHBondContact O-CG2 3.22Å; L1313-T1317 PolarHBondContact O-N 3.04Å; L1313-T1317 PolarHBondContact O-OG1 3.13Å; T1314-T1317 WeakPolarHBondContact CA-OG1 3.34Å; T1314-T1317 PolarHBondContact O-N 2.98Å; T1314-T1317 PolarHBondContact O-OG1 3.21Å; T1314-T1317 VanDerWaalsContact O-OG1 3.12Å; T1317-M1319 VanDerWaalsContact C-N 3.35Å; T1317-E1320 PolarHBondContact O-N 2.98Å; T1317-L1321 VanDerWaalsContact O-CB 3.24Å; T1317-L1321 WeakPolarHBondContact O-CB 3.15Å; T1317-L1321 WeakPolarHBondContact O-CD1 3.32Å; T1317-L1321 VanDerWaalsContact O-CG 3.26Å; T1317-L1321 WeakPolarHBondContact O-CG 3.37Å; T1317-L1321 PolarHBondContact O-N 3.08Å
1318N48.7Very low42.4Very low90.4 Ų90.496.5 Ų96.548%0.48350%0.496SS..Hα-helixtrans-69.3-34.3174.9-72.1-18.7000112.3T1314 N1315 A1316 L1321 S1322T1314-N1318 WeakPolarHBondContact O-CB 3.35Å; T1314-N1318 PolarHBondContact O-N 3.14Å; T1314-N1318 VanDerWaalsContact O-N 3.11Å; T1314-N1318 PolarHBondContact O-ND2 3.27Å; T1314-N1318 VanDerWaalsContact O-ND2 3.14Å; N1315-N1318 PolarHBondContact O-N 3.39Å; A1316-N1318 VanDerWaalsContact C-N 3.34Å; A1316-N1318 PolarHBondContact O-N 3.12Å; N1318-L1321 PolarHBondContact O-N 3.05Å; N1318-S1322 VanDerWaalsContact O-CB 3.3Å; N1318-S1322 WeakPolarHBondContact O-CB 3.34Å; N1318-S1322 PolarHBondContact O-N 3.06Å
1319M50.6Low42.5Very low122 Ų12293.9 Ų93.960%0.60149%0.485SS*.Hα-helixtrans-64.3-47.5172.1-99.1-174.9-73.100111.5N1315 A1316 T1317 S1322 R1323N1315-M1319 HydrophobicContact CB-CE 4.5Å; N1315-M1319 VanDerWaalsContact O-CB 3.25Å; N1315-M1319 WeakPolarHBondContact O-CB 3.18Å; N1315-M1319 WeakPolarHBondContact O-CE 3.15Å; N1315-M1319 VanDerWaalsContact O-CG 3.29Å; N1315-M1319 WeakPolarHBondContact O-CG 3.44Å; N1315-M1319 PolarHBondContact O-N 3.13Å; A1316-M1319 PolarHBondContact O-N 3.1Å; T1317-M1319 VanDerWaalsContact C-N 3.35Å; M1319-S1322 CarbonylContact O-C 3.54Å; M1319-S1322 PolarHBondContact O-N 3.18Å; M1319-S1322 VanDerWaalsContact O-N 3.17Å; M1319-S1322 PolarHBondContact O-OG 3.28Å; M1319-R1323 WeakPolarHBondContact O-CB 3.34Å; M1319-R1323 PolarHBondContact O-N 3.04Å
1320E45.7Very low42.6Very low89.8 Ų89.892.7 Ų92.742%0.4248%0.478SS..Hα-helixtrans-66.4-38.5177.4-73.9-57.4122.800112.4L1266 A1316 T1317 S1322 R1323 I1324L1266-E1320 HydrophobicContact CD1-CG 4.31Å; A1316-E1320 PolarHBondContact O-N 3.03Å; T1317-E1320 PolarHBondContact O-N 2.98Å; E1320-S1322 VanDerWaalsContact C-N 3.33Å; E1320-S1322 PolarHBondContact O-N 3.1Å; E1320-R1323 VanDerWaalsContact CD-NE 3.29Å; E1320-R1323 CarbonylContact O-C 3.53Å; E1320-R1323 WeakPolarHBondContact O-CA 3.45Å; E1320-R1323 WeakPolarHBondContact O-CB 3.33Å; E1320-R1323 PolarHBondContact O-N 3.25Å; E1320-R1323 VanDerWaalsContact O-N 3.15Å; E1320-R1323 VanDerWaalsContact OE1-CD 3.25Å; E1320-R1323 WeakPolarHBondContact OE1-CD 3.39Å; E1320-R1323 IonicContact OE1-CZ 2.78Å; E1320-R1323 IonicContact OE1-NE 2.89Å; E1320-R1323 PolarHBondContact OE1-NE 3.17Å; E1320-R1323 IonicContact OE1-NH1 3.73Å; E1320-R1323 PolarHBondContact OE1-NH1 2.96Å; E1320-R1323 IonicContact OE1-NH2 3.81Å; E1320-R1323 WeakPolarHBondContact OE2-CD 3.36Å; E1320-R1323 IonicContact OE2-CZ 3.72Å; E1320-R1323 VanDerWaalsContact OE2-CZ 3.27Å; E1320-R1323 IonicContact OE2-NE 3.44Å; E1320-R1323 PolarHBondContact OE2-NE 3.34Å; E1320-R1323 VanDerWaalsContact OE2-NE 3.07Å; E1320-R1323 IonicContact OE2-NH2 3.74Å; E1320-R1323 PolarHBondContact OE2-NH2 3.42Å; E1320-I1324 VanDerWaalsContact O-CB 3.31Å; E1320-I1324 WeakPolarHBondContact O-CB 3.3Å; E1320-I1324 WeakPolarHBondContact O-CD1 3.35Å; E1320-I1324 VanDerWaalsContact O-CG1 3.25Å; E1320-I1324 WeakPolarHBondContact O-CG1 3.36Å; E1320-I1324 PolarHBondContact O-N 3.24Å
1321L44.7Very low42.7Very low89.6 Ų89.692.6 Ų92.647%0.46948%0.478SS..Hα-helixtrans-59.8-45.4170.8-76166000111.4T1317 N1318 R1323 I1324 D1325T1317-L1321 VanDerWaalsContact O-CB 3.24Å; T1317-L1321 WeakPolarHBondContact O-CB 3.15Å; T1317-L1321 WeakPolarHBondContact O-CD1 3.32Å; T1317-L1321 VanDerWaalsContact O-CG 3.26Å; T1317-L1321 WeakPolarHBondContact O-CG 3.37Å; T1317-L1321 PolarHBondContact O-N 3.08Å; N1318-L1321 PolarHBondContact O-N 3.05Å; L1321-R1323 VanDerWaalsContact C-N 3.32Å; L1321-R1323 PolarHBondContact O-N 2.91Å; L1321-I1324 WeakPolarHBondContact O-CB 3.44Å; L1321-I1324 PolarHBondContact O-N 2.98Å; L1321-D1325 WeakPolarHBondContact O-CB 3.45Å; L1321-D1325 PolarHBondContact O-N 3.14Å; L1321-D1325 VanDerWaalsContact O-N 3.13Å
1322S47.7Very low43.1Very low50 Ų5090.7 Ų90.735%0.3547%0.469SS..Hα-helixtrans-66.7-26.1176.299.20000113.5N1318 M1319 E1320 K1326N1318-S1322 VanDerWaalsContact O-CB 3.3Å; N1318-S1322 WeakPolarHBondContact O-CB 3.34Å; N1318-S1322 PolarHBondContact O-N 3.06Å; M1319-S1322 CarbonylContact O-C 3.54Å; M1319-S1322 PolarHBondContact O-N 3.18Å; M1319-S1322 VanDerWaalsContact O-N 3.17Å; M1319-S1322 PolarHBondContact O-OG 3.28Å; E1320-S1322 VanDerWaalsContact C-N 3.33Å; E1320-S1322 PolarHBondContact O-N 3.1Å; S1322-K1326 WeakPolarHBondContact O-CB 3.39Å; S1322-K1326 VanDerWaalsContact O-CD 3.26Å; S1322-K1326 WeakPolarHBondContact O-CD 3.36Å; S1322-K1326 VanDerWaalsContact O-CG 3.29Å; S1322-K1326 WeakPolarHBondContact O-CG 3.28Å; S1322-K1326 PolarHBondContact O-N 3.06Å; S1322-K1326 VanDerWaalsContact O-N 3.07Å
1323R49.2Very low43.3Very low127 Ų12790.1 Ų90.148%0.47946%0.46SS..Hα-helixtrans-77.2-37.7176.1-170.8-179.31631160.5111P1252 M1319 E1320 L1321 K1326 L1327P1252-R1323 PolarHBondContact O-NH2 2.87Å; P1252-R1323 VanDerWaalsContact O-NH2 3.08Å; M1319-R1323 WeakPolarHBondContact O-CB 3.34Å; M1319-R1323 PolarHBondContact O-N 3.04Å; E1320-R1323 VanDerWaalsContact CD-NE 3.29Å; E1320-R1323 CarbonylContact O-C 3.53Å; E1320-R1323 WeakPolarHBondContact O-CA 3.45Å; E1320-R1323 WeakPolarHBondContact O-CB 3.33Å; E1320-R1323 PolarHBondContact O-N 3.25Å; E1320-R1323 VanDerWaalsContact O-N 3.15Å; E1320-R1323 VanDerWaalsContact OE1-CD 3.25Å; E1320-R1323 WeakPolarHBondContact OE1-CD 3.39Å; E1320-R1323 IonicContact OE1-CZ 2.78Å; E1320-R1323 IonicContact OE1-NE 2.89Å; E1320-R1323 PolarHBondContact OE1-NE 3.17Å; E1320-R1323 IonicContact OE1-NH1 3.73Å; E1320-R1323 PolarHBondContact OE1-NH1 2.96Å; E1320-R1323 IonicContact OE1-NH2 3.81Å; E1320-R1323 WeakPolarHBondContact OE2-CD 3.36Å; E1320-R1323 IonicContact OE2-CZ 3.72Å; E1320-R1323 VanDerWaalsContact OE2-CZ 3.27Å; E1320-R1323 IonicContact OE2-NE 3.44Å; E1320-R1323 PolarHBondContact OE2-NE 3.34Å; E1320-R1323 VanDerWaalsContact OE2-NE 3.07Å; E1320-R1323 IonicContact OE2-NH2 3.74Å; E1320-R1323 PolarHBondContact OE2-NH2 3.42Å; L1321-R1323 VanDerWaalsContact C-N 3.32Å; L1321-R1323 PolarHBondContact O-N 2.91Å; R1323-K1326 CarbonylContact O-C 3.48Å; R1323-K1326 PolarHBondContact O-N 3.27Å; R1323-L1327 HydrophobicContact CG-CD1 4.5Å; R1323-L1327 WeakPolarHBondContact O-CB 3.18Å; R1323-L1327 WeakPolarHBondContact O-CD1 3.29Å; R1323-L1327 VanDerWaalsContact O-CG 3.23Å; R1323-L1327 WeakPolarHBondContact O-CG 3.19Å; R1323-L1327 PolarHBondContact O-N 3.24Å; R1323-L1327 VanDerWaalsContact O-N 3.12Å
1324I45.1Very low43.9Very low69.2 Ų69.288.6 Ų88.636%0.35545%0.451SS..Hα-helixtrans-65.8-44.9172.4-72165.8000110.3E1320 L1321 K1326 L1327 F1328E1320-I1324 VanDerWaalsContact O-CB 3.31Å; E1320-I1324 WeakPolarHBondContact O-CB 3.3Å; E1320-I1324 WeakPolarHBondContact O-CD1 3.35Å; E1320-I1324 VanDerWaalsContact O-CG1 3.25Å; E1320-I1324 WeakPolarHBondContact O-CG1 3.36Å; E1320-I1324 PolarHBondContact O-N 3.24Å; L1321-I1324 WeakPolarHBondContact O-CB 3.44Å; L1321-I1324 PolarHBondContact O-N 2.98Å; I1324-K1326 VanDerWaalsContact C-N 3.29Å; I1324-K1326 PolarHBondContact O-N 3.12Å; I1324-L1327 CarbonylContact O-C 3.53Å; I1324-L1327 WeakPolarHBondContact O-CA 3.32Å; I1324-L1327 WeakPolarHBondContact O-CB 3.32Å; I1324-L1327 PolarHBondContact O-N 3.04Å; I1324-L1327 VanDerWaalsContact O-N 3.14Å; I1324-F1328 HydrophobicContact CG2-CD2 3.78Å; I1324-F1328 HydrophobicContact CG2-CE2 3.58Å; I1324-F1328 VanDerWaalsContact CG2-CE2 3.49Å; I1324-F1328 HydrophobicContact CG2-CZ 4.35Å; I1324-F1328 VanDerWaalsContact O-CD2 3.32Å; I1324-F1328 WeakPolarHBondContact O-CD2 3.36Å; I1324-F1328 PolarHBondContact O-N 3.12Å
1325D42.5Very low44.5Very low88.4 Ų88.490 Ų9047%0.47345%0.453SS..Hα-helixtrans-61.5-41.4175.5-91.4-10.2000111.7L1321 L1327 F1328 F1329 R1368L1321-D1325 WeakPolarHBondContact O-CB 3.45Å; L1321-D1325 PolarHBondContact O-N 3.14Å; L1321-D1325 VanDerWaalsContact O-N 3.13Å; D1325-L1327 VanDerWaalsContact C-N 3.27Å; D1325-L1327 PolarHBondContact O-N 3.21Å; D1325-F1328 PolarHBondContact O-N 3.06Å; D1325-F1329 HydrophobicContact CB-CD2 4.43Å; D1325-F1329 CarbonylContact O-C 3.54Å; D1325-F1329 VanDerWaalsContact O-C 3.29Å; D1325-F1329 WeakPolarHBondContact O-CA 3.32Å; D1325-F1329 VanDerWaalsContact O-CB 3.3Å; D1325-F1329 WeakPolarHBondContact O-CB 3.25Å; D1325-F1329 VanDerWaalsContact O-CD2 3.3Å; D1325-F1329 WeakPolarHBondContact O-CD2 3.27Å; D1325-F1329 PolarHBondContact O-N 3.35Å; D1325-F1329 VanDerWaalsContact O-O 3.07Å; D1325-F1329 WeakPolarHBondContact OD1-CD2 3.48Å; D1325-F1329 WeakPolarHBondContact OD1-CE2 3.42Å; D1325-R1368 IonicContact OD1-NH2 3.19Å; D1325-R1368 PolarHBondContact OD1-NH2 3.33Å; D1325-R1368 IonicContact OD2-NH2 3.11Å; D1325-R1368 PolarHBondContact OD2-NH2 3.36Å
1326K44.1Very low45.1Very low144.6 Ų144.689.8 Ų89.863%0.62945%0.449SS*.Hα-helixtrans-68.6-19.3174.2-73.5169.5-173.8161.10114.1S1076 S1322 R1323 I1324 F1328 P1330S1076-K1326 WeakPolarHBondContact CB-O 3.46Å; S1076-K1326 PolarHBondContact OG-O 2.87Å; S1322-K1326 WeakPolarHBondContact O-CB 3.39Å; S1322-K1326 VanDerWaalsContact O-CD 3.26Å; S1322-K1326 WeakPolarHBondContact O-CD 3.36Å; S1322-K1326 VanDerWaalsContact O-CG 3.29Å; S1322-K1326 WeakPolarHBondContact O-CG 3.28Å; S1322-K1326 PolarHBondContact O-N 3.06Å; S1322-K1326 VanDerWaalsContact O-N 3.07Å; R1323-K1326 CarbonylContact O-C 3.48Å; R1323-K1326 PolarHBondContact O-N 3.27Å; I1324-K1326 VanDerWaalsContact C-N 3.29Å; I1324-K1326 PolarHBondContact O-N 3.12Å; K1326-F1328 VanDerWaalsContact C-N 3.31Å; K1326-P1330 VanDerWaalsContact O-CA 3.27Å; K1326-P1330 WeakPolarHBondContact O-CA 3.25Å
1327L41.4Very low45.8Very low90.4 Ų90.489.9 Ų89.947%0.47345%0.445SS..Hα-helixtrans-81-36.6176.3-100164000111.8I1254 F1255 R1323 I1324 D1325 F1329I1254-L1327 HydrophobicContact CB-CD1 3.77Å; I1254-L1327 HydrophobicContact CB-CD2 4.23Å; I1254-L1327 HydrophobicContact CB-CG 3.84Å; I1254-L1327 HydrophobicContact CD1-CG 4.31Å; I1254-L1327 HydrophobicContact CG1-CD1 4.44Å; I1254-L1327 HydrophobicContact CG1-CG 4.34Å; I1254-L1327 HydrophobicContact CG2-CD1 3.5Å; I1254-L1327 HydrophobicContact CG2-CG 4.17Å; F1255-L1327 HydrophobicContact CD2-CD2 4.25Å; F1255-L1327 HydrophobicContact CE1-CD2 4.27Å; F1255-L1327 HydrophobicContact CE2-CD2 3.46Å; F1255-L1327 VanDerWaalsContact CE2-CD2 3.46Å; F1255-L1327 HydrophobicContact CZ-CD2 3.47Å; F1255-L1327 VanDerWaalsContact CZ-CD2 3.47Å; R1323-L1327 HydrophobicContact CG-CD1 4.5Å; R1323-L1327 WeakPolarHBondContact O-CB 3.18Å; R1323-L1327 WeakPolarHBondContact O-CD1 3.29Å; R1323-L1327 VanDerWaalsContact O-CG 3.23Å; R1323-L1327 WeakPolarHBondContact O-CG 3.19Å; R1323-L1327 PolarHBondContact O-N 3.24Å; R1323-L1327 VanDerWaalsContact O-N 3.12Å; I1324-L1327 CarbonylContact O-C 3.53Å; I1324-L1327 WeakPolarHBondContact O-CA 3.32Å; I1324-L1327 WeakPolarHBondContact O-CB 3.32Å; I1324-L1327 PolarHBondContact O-N 3.04Å; I1324-L1327 VanDerWaalsContact O-N 3.14Å; D1325-L1327 VanDerWaalsContact C-N 3.27Å; D1325-L1327 PolarHBondContact O-N 3.21Å; L1327-F1329 VanDerWaalsContact C-N 3.27Å; L1327-F1329 PolarHBondContact O-N 2.91Å
1328F35Very low46.8Very low146.4 Ų146.489.2 Ų89.264%0.64244%0.436SS*.Hα-helixtrans-84.2-22.6178.8-71.1-63.8000113.8I1324 D1325 K1326 P1330I1324-F1328 HydrophobicContact CG2-CD2 3.78Å; I1324-F1328 HydrophobicContact CG2-CE2 3.58Å; I1324-F1328 VanDerWaalsContact CG2-CE2 3.49Å; I1324-F1328 HydrophobicContact CG2-CZ 4.35Å; I1324-F1328 VanDerWaalsContact O-CD2 3.32Å; I1324-F1328 WeakPolarHBondContact O-CD2 3.36Å; I1324-F1328 PolarHBondContact O-N 3.12Å; D1325-F1328 PolarHBondContact O-N 3.06Å; K1326-F1328 VanDerWaalsContact C-N 3.31Å; F1328-P1330 WeakPolarHBondContact O-CD 3.13Å
1329F37.2Very low47.5Very low127.6 Ų127.688.1 Ų88.156%0.5643%0.43SS*.SBendtrans-132.873.8-175.2-49.5-68.9000113.2D1325 L1327 N1331 I1334D1325-F1329 HydrophobicContact CB-CD2 4.43Å; D1325-F1329 CarbonylContact O-C 3.54Å; D1325-F1329 VanDerWaalsContact O-C 3.29Å; D1325-F1329 WeakPolarHBondContact O-CA 3.32Å; D1325-F1329 VanDerWaalsContact O-CB 3.3Å; D1325-F1329 WeakPolarHBondContact O-CB 3.25Å; D1325-F1329 VanDerWaalsContact O-CD2 3.3Å; D1325-F1329 WeakPolarHBondContact O-CD2 3.27Å; D1325-F1329 PolarHBondContact O-N 3.35Å; D1325-F1329 VanDerWaalsContact O-O 3.07Å; D1325-F1329 WeakPolarHBondContact OD1-CD2 3.48Å; D1325-F1329 WeakPolarHBondContact OD1-CE2 3.42Å; L1327-F1329 VanDerWaalsContact C-N 3.27Å; L1327-F1329 PolarHBondContact O-N 2.91Å; F1329-N1331 PolarHBondContact O-N 2.83Å; F1329-N1331 PolarHBondContact O-ND2 2.9Å; F1329-N1331 VanDerWaalsContact O-ND2 3.16Å; F1329-I1334 HydrophobicContact CB-CD1 3.66Å; F1329-I1334 HydrophobicContact CB-CG1 3.93Å
1330P36.6Very low47.9Very low50.6 Ų50.683.2 Ų83.233%0.32941%0.407SS..  trans-75144176.220.5-21.5000112.9C1073 T1075 I1157 K1326 F1328 E1332 I1333 I1334C1073-P1330 HydrophobicContact CB-CG 3.96Å; T1075-P1330 HydrophobicContact CG2-CB 4.27Å; I1157-P1330 VanDerWaalsContact CD1-O 3.23Å; I1157-P1330 WeakPolarHBondContact CD1-O 3.34Å; K1326-P1330 VanDerWaalsContact O-CA 3.27Å; K1326-P1330 WeakPolarHBondContact O-CA 3.25Å; F1328-P1330 WeakPolarHBondContact O-CD 3.13Å; P1330-E1332 VanDerWaalsContact C-N 3.26Å; P1330-E1332 PolarHBondContact O-N 2.97Å; P1330-I1333 HydrophobicContact CB-CB 4.27Å; P1330-I1333 HydrophobicContact CB-CD1 4.19Å; P1330-I1333 HydrophobicContact CB-CG1 4.35Å; P1330-I1333 HydrophobicContact CG-CD1 4.2Å; P1330-I1333 HydrophobicContact CG-CG1 4.18Å; P1330-I1333 HydrophobicContact CG-CG2 4.39Å; P1330-I1333 WeakPolarHBondContact O-CA 3.45Å; P1330-I1333 WeakPolarHBondContact O-CB 3.49Å; P1330-I1333 WeakPolarHBondContact O-CG1 3.49Å; P1330-I1333 PolarHBondContact O-N 2.81Å; P1330-I1334 WeakPolarHBondContact O-CG1 3.13Å; P1330-I1334 PolarHBondContact O-N 2.82Å
1331N37.3Very low48.5Very low92 Ų9280.3 Ų80.349%0.49240%0.402SS..SBendtrans-71.9-16.8-175-67.8-20.5000114.6I1157 F1329 I1333I1157-N1331 PolarHBondContact N-O 3.05Å; F1329-N1331 PolarHBondContact O-N 2.83Å; F1329-N1331 PolarHBondContact O-ND2 2.9Å; F1329-N1331 VanDerWaalsContact O-ND2 3.16Å; N1331-I1333 PolarHBondContact O-N 3.33Å
1332E45.1Very low49.1Very low93.2 Ų93.281.7 Ų81.744%0.43641%0.406SS..EExtended strand (participates in β ladder)trans-114.1105.6175.5-69.1178.4162.800110.9C1073 T1080 I1154 A1155 S1156 P1330 I1334C1073-E1332 VanDerWaalsContact SG-CG 3.53Å; T1080-E1332 VanDerWaalsContact OG1-CD 3.25Å; T1080-E1332 PolarHBondContact OG1-OE1 3.16Å; I1154-E1332 HydrophobicContact CG2-CB 4.19Å; I1154-E1332 HydrophobicContact CG2-CG 4.17Å; I1154-E1332 VanDerWaalsContact CG2-OE2 3.31Å; I1154-E1332 WeakPolarHBondContact CG2-OE2 3.49Å; A1155-E1332 PolarHBondContact N-O 3.02Å; A1155-E1332 WeakPolarHBondContact O-CA 3.33Å; A1155-E1332 WeakPolarHBondContact O-CB 3.07Å; A1155-E1332 WeakPolarHBondContact O-CG 3.32Å; S1156-E1332 VanDerWaalsContact CB-CG 3.48Å; P1330-E1332 VanDerWaalsContact C-N 3.26Å; P1330-E1332 PolarHBondContact O-N 2.97Å; E1332-I1334 HydrophobicContact CB-CD1 4.42Å; E1332-I1334 PolarHBondContact O-N 3.43Å
1333I43Very low49.5Very low63.4 Ų63.481.4 Ų81.433%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-100.2112.3174.8-53.3177.3000109.1L1074 V1152 R1153 I1154 A1155 I1157 P1330 N1331 H1335 E1336 T1337 Y1338L1074-I1333 HydrophobicContact CB-CD1 4.29Å; V1152-I1333 HydrophobicContact CG1-CG2 4.36Å; R1153-I1333 VanDerWaalsContact O-O 3.08Å; I1154-I1333 WeakPolarHBondContact CA-O 3.17Å; A1155-I1333 HydrophobicContact CB-CB 4.3Å; A1155-I1333 PolarHBondContact N-O 2.95Å; A1155-I1333 PolarHBondContact O-N 3.08Å; A1155-I1333 VanDerWaalsContact O-N 3.1Å; I1157-I1333 HydrophobicContact CD1-CD1 3.84Å; I1157-I1333 HydrophobicContact CD1-CG1 3.85Å; I1157-I1333 HydrophobicContact CG1-CD1 4.13Å; I1157-I1333 HydrophobicContact CG1-CG1 4.02Å; P1330-I1333 HydrophobicContact CB-CB 4.27Å; P1330-I1333 HydrophobicContact CB-CD1 4.19Å; P1330-I1333 HydrophobicContact CB-CG1 4.35Å; P1330-I1333 HydrophobicContact CG-CD1 4.2Å; P1330-I1333 HydrophobicContact CG-CG1 4.18Å; P1330-I1333 HydrophobicContact CG-CG2 4.39Å; P1330-I1333 WeakPolarHBondContact O-CA 3.45Å; P1330-I1333 WeakPolarHBondContact O-CB 3.49Å; P1330-I1333 WeakPolarHBondContact O-CG1 3.49Å; P1330-I1333 PolarHBondContact O-N 2.81Å; N1331-I1333 PolarHBondContact O-N 3.33Å; I1333-H1335 VanDerWaalsContact C-N 3.3Å; I1333-H1335 WeakPolarHBondContact CG2-CE1 3.11Å; I1333-H1335 WeakPolarHBondContact CG2-NE2 3.38Å; I1333-H1335 PolarHBondContact O-N 3Å; I1333-H1335 VanDerWaalsContact O-N 3.16Å; I1333-E1336 PolarHBondContact O-N 3.4Å; I1333-T1337 HydrophobicContact CG2-CG2 4.35Å; I1333-T1337 WeakPolarHBondContact CG2-OG1 3.42Å; I1333-T1337 PolarHBondContact O-N 3.47Å; I1333-T1337 VanDerWaalsContact O-N 3.08Å; I1333-T1337 PolarHBondContact O-OG1 3.35Å; I1333-Y1338 HydrophobicContact CG2-CD2 4.02Å; I1333-Y1338 HydrophobicContact CG2-CE2 3.84Å
1334I50.1Low49.6Very low61.6 Ų61.679.2 Ų79.232%0.31640%0.4SS..EExtended strand (participates in β ladder)trans-85.4100.9173.4-66172.7000109.1R1071 F1078 V1152 R1153 I1154 F1329 P1330 E1332 E1336R1071-I1334 HydrophobicContact CG-CG2 4.46Å; F1078-I1334 HydrophobicContact CB-CD1 3.66Å; F1078-I1334 HydrophobicContact CD1-CD1 3.35Å; F1078-I1334 HydrophobicContact CD2-CB 4.14Å; F1078-I1334 HydrophobicContact CD2-CD1 3.63Å; F1078-I1334 HydrophobicContact CD2-CG1 4.45Å; F1078-I1334 HydrophobicContact CD2-CG2 4.2Å; F1078-I1334 HydrophobicContact CE1-CD1 3.71Å; F1078-I1334 HydrophobicContact CE1-CG2 4.27Å; F1078-I1334 HydrophobicContact CE2-CB 3.99Å; F1078-I1334 HydrophobicContact CE2-CD1 4Å; F1078-I1334 HydrophobicContact CE2-CG2 3.55Å; F1078-I1334 HydrophobicContact CG-CD1 3.29Å; F1078-I1334 HydrophobicContact CZ-CB 4.36Å; F1078-I1334 HydrophobicContact CZ-CD1 4.02Å; F1078-I1334 HydrophobicContact CZ-CG2 3.57Å; V1152-I1334 HydrophobicContact CG1-CG2 3.57Å; R1153-I1334 PolarHBondContact N-O 3.36Å; R1153-I1334 CarbonylContact O-C 3.58Å; R1153-I1334 WeakPolarHBondContact O-CA 3.44Å; R1153-I1334 PolarHBondContact O-N 3.28Å; I1154-I1334 HydrophobicContact CB-CD1 4.5Å; I1154-I1334 HydrophobicContact CB-CG1 4.17Å; I1154-I1334 HydrophobicContact CG1-CD1 4.04Å; I1154-I1334 HydrophobicContact CG1-CG1 4Å; I1154-I1334 HydrophobicContact CG2-CD1 4.11Å; I1154-I1334 HydrophobicContact CG2-CG1 4.01Å; F1329-I1334 HydrophobicContact CB-CD1 3.66Å; F1329-I1334 HydrophobicContact CB-CG1 3.93Å; P1330-I1334 WeakPolarHBondContact O-CG1 3.13Å; P1330-I1334 PolarHBondContact O-N 2.82Å; E1332-I1334 HydrophobicContact CB-CD1 4.42Å; E1332-I1334 PolarHBondContact O-N 3.43Å; I1334-E1336 VanDerWaalsContact C-N 3.35Å; I1334-E1336 HydrophobicContact CG2-CG 4.12Å; I1334-E1336 PolarHBondContact O-N 3.08Å
1335H54Low49.9Very low94.4 Ų94.479.6 Ų79.644%0.43741%0.406SS..EExtended strand (participates in β ladder)trans-94.3103.2179.2-88.5-75.2000110.7K1150 V1152 R1153 I1333 T1337 N1339K1150-H1335 VanDerWaalsContact CD-CE1 3.48Å; K1150-H1335 WeakPolarHBondContact CD-CE1 3.38Å; K1150-H1335 WeakPolarHBondContact CD-NE2 3.49Å; V1152-H1335 CarbonylContact C-O 3.57Å; V1152-H1335 WeakPolarHBondContact CA-O 3.2Å; R1153-H1335 HydrophobicContact CB-CB 4.34Å; R1153-H1335 PolarHBondContact N-O 3.37Å; R1153-H1335 PolarHBondContact O-N 3.12Å; I1333-H1335 VanDerWaalsContact C-N 3.3Å; I1333-H1335 WeakPolarHBondContact CG2-CE1 3.11Å; I1333-H1335 WeakPolarHBondContact CG2-NE2 3.38Å; I1333-H1335 PolarHBondContact O-N 3Å; I1333-H1335 VanDerWaalsContact O-N 3.16Å; H1335-T1337 VanDerWaalsContact C-N 3.34Å; H1335-T1337 HydrophobicContact CB-CG2 4.13Å; H1335-T1337 PolarHBondContact CE1-OG1 2.9Å; H1335-T1337 PolarHBondContact O-N 3.05Å; H1335-N1339 PolarHBondContact O-ND2 3.09Å
1336E60.4Low50.3Low85.8 Ų85.879.3 Ų79.340%0.40140%0.404SS..EExtended strand (participates in β ladder)trans-81.899.9168.6-78.6-171.8158.500109.4K1150 R1151 V1152 R1153 I1333 I1334 Y1338 N1339K1150-E1336 CarbonylContact C-O 3.58Å; K1150-E1336 WeakPolarHBondContact CA-O 3.35Å; K1150-E1336 WeakPolarHBondContact CD-OE1 3.33Å; K1150-E1336 WeakPolarHBondContact CD-OE2 3.38Å; K1150-E1336 WeakPolarHBondContact CE-OE2 3.19Å; K1150-E1336 IonicContact NZ-OE1 3.28Å; K1150-E1336 PolarHBondContact NZ-OE1 3.36Å; K1150-E1336 IonicContact NZ-OE2 3.61Å; K1150-E1336 PolarHBondContact NZ-OE2 2.98Å; R1151-E1336 HydrophobicContact CB-CB 4.37Å; R1151-E1336 PolarHBondContact N-O 2.73Å; R1151-E1336 PolarHBondContact O-N 3.44Å; V1152-E1336 HydrophobicContact CG2-CG 4.44Å; R1153-E1336 IonicContact CZ-OE1 3.53Å; R1153-E1336 IonicContact NE-OE1 3.93Å; R1153-E1336 IonicContact NH2-OE1 3.07Å; R1153-E1336 PolarHBondContact NH2-OE1 3.3Å; R1153-E1336 IonicContact NH2-OE2 3.16Å; R1153-E1336 PolarHBondContact NH2-OE2 3.05Å; R1153-E1336 VanDerWaalsContact NH2-OE2 3.12Å; I1333-E1336 PolarHBondContact O-N 3.4Å; I1334-E1336 VanDerWaalsContact C-N 3.35Å; I1334-E1336 HydrophobicContact CG2-CG 4.12Å; I1334-E1336 PolarHBondContact O-N 3.08Å; E1336-Y1338 VanDerWaalsContact C-N 3.31Å; E1336-Y1338 HydrophobicContact CB-CD2 4.44Å; E1336-Y1338 HydrophobicContact CB-CE2 3.58Å; E1336-Y1338 PolarHBondContact OE2-OH 3.19Å; E1336-N1339 HydrophobicContact CG-CB 4.29Å; E1336-N1339 VanDerWaalsContact OE1-CB 3.25Å; E1336-N1339 WeakPolarHBondContact OE1-CB 3.19Å; E1336-N1339 PolarHBondContact OE1-ND2 3.06Å; E1336-N1339 PolarHBondContact OE2-ND2 3.07Å
1337T60.5Low50.6Low46.6 Ų46.675.5 Ų75.529%0.28639%0.39SS..EExtended strand (participates in β ladder)trans-97.5-7.6-178.143.80000112.8K1150 R1151 R1153 I1333 H1335K1150-T1337 HydrophobicContact CG-CG2 3.99Å; R1151-T1337 WeakPolarHBondContact CD-OG1 3.5Å; R1151-T1337 WeakPolarHBondContact CG-OG1 3.37Å; R1151-T1337 PolarHBondContact O-N 3Å; R1151-T1337 PolarHBondContact O-OG1 3Å; R1153-T1337 HydrophobicContact CB-CG2 3.73Å; R1153-T1337 VanDerWaalsContact CB-CG2 3.4Å; R1153-T1337 HydrophobicContact CG-CG2 3.97Å; I1333-T1337 HydrophobicContact CG2-CG2 4.35Å; I1333-T1337 WeakPolarHBondContact CG2-OG1 3.42Å; I1333-T1337 PolarHBondContact O-N 3.47Å; I1333-T1337 VanDerWaalsContact O-N 3.08Å; I1333-T1337 PolarHBondContact O-OG1 3.35Å; H1335-T1337 VanDerWaalsContact C-N 3.34Å; H1335-T1337 HydrophobicContact CB-CG2 4.13Å; H1335-T1337 PolarHBondContact CE1-OG1 2.9Å; H1335-T1337 PolarHBondContact O-N 3.05Å
1338Y63.3Low50.8Low49.2 Ų49.280 Ų8019%0.19340%0.401CS..EExtended strand (participates in β ladder)trans-143.1122.5177-134-98.9000111.4H932 I943 L945 P951 F1149 K1150 R1151 I1333 E1336 S1340H932-Y1338 HydrophobicContact CB-CD1 4.34Å; H932-Y1338 PolarHBondContact CD2-OH 2.83Å; H932-Y1338 AromaticContact CG-CD1 3.95Å; H932-Y1338 AromaticContact NE2-CE1 3.59Å; H932-Y1338 AromaticContact NE2-CZ 3.45Å; H932-Y1338 PolarHBondContact NE2-OH 2.95Å; I943-Y1338 WeakPolarHBondContact CB-OH 3.48Å; I943-Y1338 HydrophobicContact CD1-CD1 4.16Å; I943-Y1338 HydrophobicContact CD1-CE1 4.23Å; I943-Y1338 HydrophobicContact CD1-CE2 4.18Å; I943-Y1338 WeakPolarHBondContact CD1-OH 3.29Å; I943-Y1338 HydrophobicContact CG2-CE1 4.47Å; I943-Y1338 HydrophobicContact CG2-CE2 3.71Å; L945-Y1338 HydrophobicContact CD1-CD1 3.81Å; L945-Y1338 HydrophobicContact CD1-CE1 4.09Å; L945-Y1338 HydrophobicContact CD1-CG 4.13Å; L945-Y1338 HydrophobicContact CD2-CD1 4.14Å; L945-Y1338 HydrophobicContact CD2-CD2 3.66Å; L945-Y1338 HydrophobicContact CD2-CE1 4.39Å; L945-Y1338 HydrophobicContact CD2-CE2 4.3Å; L945-Y1338 HydrophobicContact CD2-CG 3.61Å; L945-Y1338 HydrophobicContact CG-CG 4.49Å; P951-Y1338 HydrophobicContact CB-CD2 3.85Å; P951-Y1338 HydrophobicContact CB-CE1 4.19Å; P951-Y1338 HydrophobicContact CB-CE2 4.05Å; P951-Y1338 HydrophobicContact CG-CD2 4.12Å; P951-Y1338 HydrophobicContact CG-CE1 4.35Å; P951-Y1338 HydrophobicContact CG-CE2 4Å; P951-Y1338 WeakPolarHBondContact CG-OH 3.44Å; F1149-Y1338 HydrophobicContact CD2-CD1 4.35Å; F1149-Y1338 HydrophobicContact CD2-CD2 4.19Å; F1149-Y1338 HydrophobicContact CD2-CE1 4.46Å; F1149-Y1338 VanDerWaalsContact CE1-CB 3.49Å; F1149-Y1338 HydrophobicContact CE1-CD1 4.31Å; F1149-Y1338 AromaticContact CE1-CE1 3.78Å; F1149-Y1338 HydrophobicContact CE1-CE1 3.78Å; F1149-Y1338 HydrophobicContact CE1-CG 4.23Å; F1149-Y1338 AromaticContact CE2-CD1 3.62Å; F1149-Y1338 HydrophobicContact CE2-CD1 3.8Å; F1149-Y1338 AromaticContact CE2-CD2 3.47Å; F1149-Y1338 HydrophobicContact CE2-CD2 3.47Å; F1149-Y1338 VanDerWaalsContact CE2-CD2 3.47Å; F1149-Y1338 AromaticContact CE2-CE1 3.7Å; F1149-Y1338 HydrophobicContact CE2-CE1 3.7Å; F1149-Y1338 HydrophobicContact CE2-CE2 4.26Å; F1149-Y1338 AromaticContact CE2-CG 3.84Å; F1149-Y1338 HydrophobicContact CE2-CG 3.84Å; F1149-Y1338 AromaticContact CZ-CD1 3.45Å; F1149-Y1338 HydrophobicContact CZ-CD1 4.1Å; F1149-Y1338 VanDerWaalsContact CZ-CD1 3.45Å; F1149-Y1338 AromaticContact CZ-CD2 3.73Å; F1149-Y1338 HydrophobicContact CZ-CD2 3.73Å; F1149-Y1338 AromaticContact CZ-CE1 3.55Å; F1149-Y1338 HydrophobicContact CZ-CE1 3.73Å; F1149-Y1338 AromaticContact CZ-CG 3.58Å; F1149-Y1338 HydrophobicContact CZ-CG 3.58Å; F1149-Y1338 PolarHBondContact N-O 2.93Å; F1149-Y1338 PolarHBondContact O-N 3.28Å; K1150-Y1338 CarbonylContact C-O 3.5Å; K1150-Y1338 WeakPolarHBondContact CA-O 3.31Å; R1151-Y1338 HydrophobicContact CB-CE2 4.08Å; R1151-Y1338 PolarHBondContact N-O 3.18Å; R1151-Y1338 PolarHBondContact O-N 3.21Å; R1151-Y1338 VanDerWaalsContact O-N 3.11Å; I1333-Y1338 HydrophobicContact CG2-CD2 4.02Å; I1333-Y1338 HydrophobicContact CG2-CE2 3.84Å; E1336-Y1338 VanDerWaalsContact C-N 3.31Å; E1336-Y1338 HydrophobicContact CB-CD2 4.44Å; E1336-Y1338 HydrophobicContact CB-CE2 3.58Å; E1336-Y1338 PolarHBondContact OE2-OH 3.19Å; Y1338-S1340 PolarHBondContact O-N 2.96Å
1339N63.8Low51.1Low68.8 Ų68.876.9 Ų76.937%0.36839%0.394SS..EExtended strand (participates in β ladder)trans-120.3114173.5-141.8-18.3000108.5H932 N933 S1147 K1150 H1335 E1336 G1341 R1348H932-N1339 PolarHBondContact CE1-N 2.97Å; H932-N1339 VanDerWaalsContact CE1-N 3.31Å; H932-N1339 PolarHBondContact CE1-O 3.36Å; H932-N1339 PolarHBondContact ND1-N 3.39Å; H932-N1339 PolarHBondContact ND1-O 3.36Å; N933-N1339 WeakPolarHBondContact CB-O 3.43Å; N933-N1339 PolarHBondContact N-O 3.08Å; S1147-N1339 PolarHBondContact O-OD1 3.33Å; K1150-N1339 VanDerWaalsContact CE-ND2 3.32Å; K1150-N1339 WeakPolarHBondContact CE-ND2 3.15Å; K1150-N1339 HydrophobicContact CG-CB 4.32Å; K1150-N1339 PolarHBondContact NZ-ND2 3.03Å; K1150-N1339 VanDerWaalsContact NZ-ND2 3.16Å; H1335-N1339 PolarHBondContact O-ND2 3.09Å; E1336-N1339 HydrophobicContact CG-CB 4.29Å; E1336-N1339 VanDerWaalsContact OE1-CB 3.25Å; E1336-N1339 WeakPolarHBondContact OE1-CB 3.19Å; E1336-N1339 PolarHBondContact OE1-ND2 3.06Å; E1336-N1339 PolarHBondContact OE2-ND2 3.07Å; N1339-G1341 VanDerWaalsContact C-N 3.28Å; N1339-G1341 PolarHBondContact O-N 3.28Å; N1339-G1341 PolarHBondContact OD1-N 2.93Å; N1339-G1341 VanDerWaalsContact OD1-N 3.12Å; N1339-R1348 PolarHBondContact OD1-NH1 2.63Å
1340S59.1Low51.2Low17.8 Ų17.878.7 Ų78.712%0.12440%0.404CS..  trans-83.7-0.818060.20000113.4F912 A913 I931 H932 S934 G1148 F1149 Y1338 S1615F912-S1340 WeakPolarHBondContact O-CB 3.26Å; F912-S1340 PolarHBondContact O-OG 3.29Å; A913-S1340 WeakPolarHBondContact CA-OG 3.22Å; A913-S1340 WeakPolarHBondContact CB-OG 3.01Å; I931-S1340 VanDerWaalsContact O-CB 3.27Å; I931-S1340 WeakPolarHBondContact O-CB 3.4Å; H932-S1340 VanDerWaalsContact CE1-CA 3.46Å; H932-S1340 WeakPolarHBondContact CE1-CA 3.28Å; H932-S1340 VanDerWaalsContact CE1-CB 3.48Å; H932-S1340 WeakPolarHBondContact CE1-CB 3.42Å; H932-S1340 PolarHBondContact CE1-O 3.36Å; H932-S1340 VanDerWaalsContact CE1-O 3.31Å; S934-S1340 WeakPolarHBondContact CB-O 3.23Å; S934-S1340 PolarHBondContact OG-O 3.08Å; G1148-S1340 VanDerWaalsContact CA-OG 3.32Å; G1148-S1340 WeakPolarHBondContact CA-OG 3.42Å; F1149-S1340 PolarHBondContact N-OG 3.07Å; F1149-S1340 PolarHBondContact O-N 2.86Å; F1149-S1340 PolarHBondContact O-OG 3.38Å; Y1338-S1340 PolarHBondContact O-N 2.96Å; S1340-S1615 WeakPolarHBondContact CB-O 3.46Å; S1340-S1615 WeakPolarHBondContact CB-OG 3.42Å
1341G58.5Low51.1Low29 Ų2982.9 Ų82.930%0.29942%0.424SS..  trans79.4177.9-172.900000113.1F912 N1339 L1343 V1344F912-G1341 CarbonylContact C-O 3.57Å; F912-G1341 WeakPolarHBondContact CA-O 3.39Å; N1339-G1341 VanDerWaalsContact C-N 3.28Å; N1339-G1341 PolarHBondContact O-N 3.28Å; N1339-G1341 PolarHBondContact OD1-N 2.93Å; N1339-G1341 VanDerWaalsContact OD1-N 3.12Å; G1341-L1343 PolarHBondContact O-N 3.07Å; G1341-L1343 VanDerWaalsContact O-N 3.12Å; G1341-V1344 PolarHBondContact O-N 2.65Å
1342Q57.2Low50.8Low120 Ų12085.3 Ų85.356%0.56144%0.437SS*.  trans-71.5110.5172.8-147.7177.20.900110.3F912 C1146 V1344 V1345 L1346 F1663F912-Q1342 HydrophobicContact CD1-CB 4.26Å; F912-Q1342 HydrophobicContact CD1-CG 4.34Å; F912-Q1342 HydrophobicContact CE1-CB 4.27Å; F912-Q1342 HydrophobicContact CE1-CG 4.04Å; C1146-Q1342 CarbonylContact O-C 3.55Å; C1146-Q1342 WeakPolarHBondContact O-CA 3.28Å; C1146-Q1342 VanDerWaalsContact O-CG 3.24Å; C1146-Q1342 WeakPolarHBondContact O-CG 3.42Å; Q1342-V1344 HydrophobicContact CB-CG2 4.1Å; Q1342-V1344 HydrophobicContact CG-CB 4.42Å; Q1342-V1344 HydrophobicContact CG-CG2 3.71Å; Q1342-V1344 PolarHBondContact O-N 3.32Å; Q1342-V1345 HydrophobicContact CB-CG2 4.47Å; Q1342-V1345 HydrophobicContact CG-CG2 3.87Å; Q1342-V1345 PolarHBondContact O-N 3.01Å; Q1342-L1346 WeakPolarHBondContact O-CB 3.43Å; Q1342-L1346 WeakPolarHBondContact O-CG 3.4Å; Q1342-L1346 PolarHBondContact O-N 3.2Å; Q1342-F1663 PolarHBondContact NE2-O 3.43Å; Q1342-F1663 PolarHBondContact OE1-O 2.91Å
1343L55.8Low50.3Low43.6 Ų43.687.5 Ų87.523%0.22845%0.451CS..BIsolated β-bridgetrans-7559.9176.3-76.4174000110.5W897 F912 A913 F914 I931 H932 L962 C1146 F1149 G1341 V1345 L1347W897-L1343 HydrophobicContact CH2-CD1 4.02Å; F912-L1343 HydrophobicContact CB-CB 3.79Å; F912-L1343 HydrophobicContact CB-CD1 4.33Å; F912-L1343 HydrophobicContact CG-CB 4.38Å; A913-L1343 HydrophobicContact CB-CD1 3.63Å; A913-L1343 HydrophobicContact CB-CD2 4.43Å; F914-L1343 HydrophobicContact CB-CD1 4.08Å; I931-L1343 HydrophobicContact CB-CD2 4.42Å; I931-L1343 HydrophobicContact CD1-CD1 4.29Å; I931-L1343 HydrophobicContact CD1-CD2 4.42Å; I931-L1343 HydrophobicContact CG2-CD2 3.79Å; H932-L1343 HydrophobicContact CB-CD2 3.71Å; L962-L1343 HydrophobicContact CD2-CD2 3.86Å; C1146-L1343 WeakPolarHBondContact CA-O 3.25Å; C1146-L1343 PolarHBondContact O-N 3.37Å; F1149-L1343 HydrophobicContact CD1-CD1 4.38Å; G1341-L1343 PolarHBondContact O-N 3.07Å; G1341-L1343 VanDerWaalsContact O-N 3.12Å; L1343-V1345 WeakPolarHBondContact O-CG2 3.16Å; L1343-V1345 PolarHBondContact O-N 2.93Å; L1343-L1347 HydrophobicContact CD2-CD1 4.19Å; L1343-L1347 WeakPolarHBondContact O-CB 3.39Å; L1343-L1347 WeakPolarHBondContact O-CD1 3.26Å; L1343-L1347 VanDerWaalsContact O-CG 3.23Å; L1343-L1347 WeakPolarHBondContact O-CG 3.43Å; L1343-L1347 PolarHBondContact O-N 2.87Å
1344V52.1Low50.1Low79.8 Ų79.889.5 Ų89.548%0.48447%0.472SS..  trans-87.9-19.3-176.2-178.80000112.2G1341 Q1342 L1346 L1347 R1348G1341-V1344 PolarHBondContact O-N 2.65Å; Q1342-V1344 HydrophobicContact CB-CG2 4.1Å; Q1342-V1344 HydrophobicContact CG-CB 4.42Å; Q1342-V1344 HydrophobicContact CG-CG2 3.71Å; Q1342-V1344 PolarHBondContact O-N 3.32Å; V1344-L1346 VanDerWaalsContact C-N 3.33Å; V1344-L1346 HydrophobicContact CG1-CD1 4.11Å; V1344-L1346 HydrophobicContact CG1-CG 4.18Å; V1344-L1346 PolarHBondContact O-N 2.74Å; V1344-L1347 PolarHBondContact O-N 3.41Å; V1344-L1347 VanDerWaalsContact O-N 3.15Å; V1344-R1348 HydrophobicContact CG1-CG 4.4Å; V1344-R1348 PolarHBondContact O-N 2.98Å
1345V50.9Low49.5Very low78 Ų7898 Ų9847%0.47350%0.5SS..SBendtrans-94.764.8-175.3-1770000111.3F912 N933 Q1342 L1343 L1347 R1348F912-V1345 WeakPolarHBondContact CD1-O 3.41Å; N933-V1345 HydrophobicContact CB-CB 3.96Å; N933-V1345 WeakPolarHBondContact CB-O 3.43Å; N933-V1345 WeakPolarHBondContact ND2-CG1 3.25Å; Q1342-V1345 HydrophobicContact CB-CG2 4.47Å; Q1342-V1345 HydrophobicContact CG-CG2 3.87Å; Q1342-V1345 PolarHBondContact O-N 3.01Å; L1343-V1345 WeakPolarHBondContact O-CG2 3.16Å; L1343-V1345 PolarHBondContact O-N 2.93Å; V1345-L1347 VanDerWaalsContact C-N 3.29Å; V1345-L1347 PolarHBondContact O-N 2.85Å; V1345-L1347 VanDerWaalsContact O-N 3.13Å; V1345-R1348 HydrophobicContact CG1-CG 3.97Å
1346L51Low48.8Very low83.2 Ų83.296.5 Ų96.544%0.43650%0.5SS..  trans-76.948.9-178.4-86161.8000113.4G911 F912 N938 P940 Q1342 V1344 R1348 L1364G911-L1346 CarbonylContact O-C 3.51Å; G911-L1346 WeakPolarHBondContact O-CA 3.18Å; G911-L1346 WeakPolarHBondContact O-CD2 3.18Å; F912-L1346 HydrophobicContact CD1-CD2 4.41Å; F912-L1346 HydrophobicContact CE1-CD2 4.14Å; F912-L1346 HydrophobicContact CE1-CG 4.2Å; F912-L1346 HydrophobicContact CZ-CD2 4.19Å; N938-L1346 HydrophobicContact CB-CD2 4.47Å; P940-L1346 HydrophobicContact CG-CD1 3.91Å; Q1342-L1346 WeakPolarHBondContact O-CB 3.43Å; Q1342-L1346 WeakPolarHBondContact O-CG 3.4Å; Q1342-L1346 PolarHBondContact O-N 3.2Å; V1344-L1346 VanDerWaalsContact C-N 3.33Å; V1344-L1346 HydrophobicContact CG1-CD1 4.11Å; V1344-L1346 HydrophobicContact CG1-CG 4.18Å; V1344-L1346 PolarHBondContact O-N 2.74Å; L1346-R1348 HydrophobicContact CB-CG 4.33Å; L1346-R1348 HydrophobicContact CD2-CG 3.92Å; L1346-R1348 PolarHBondContact O-N 3.41Å; L1346-R1348 VanDerWaalsContact O-N 3.16Å; L1346-L1364 HydrophobicContact CB-CD2 4.27Å; L1346-L1364 WeakPolarHBondContact O-CD1 3.27Å; L1346-L1364 WeakPolarHBondContact O-CD2 3.46Å
1347L50.4Low48Very low63.4 Ų63.495.4 Ų95.433%0.33250%0.502SS..  trans-102.836.5175.4-72.7173.7000112.5G911 F914 I931 P940 L962 H965 L1343 V1344 V1345 T1349 L1364G911-L1347 PolarHBondContact O-N 2.93Å; F914-L1347 HydrophobicContact CB-CD1 3.9Å; I931-L1347 HydrophobicContact CD1-CD2 4.33Å; I931-L1347 HydrophobicContact CG1-CD2 4.02Å; I931-L1347 HydrophobicContact CG2-CD1 4.07Å; P940-L1347 HydrophobicContact CB-CD2 3.62Å; P940-L1347 HydrophobicContact CG-CD2 4.01Å; L962-L1347 HydrophobicContact CD2-CB 4.47Å; L962-L1347 HydrophobicContact CD2-CD2 4.28Å; H965-L1347 VanDerWaalsContact CE1-CB 3.46Å; H965-L1347 WeakPolarHBondContact CE1-CB 3.29Å; H965-L1347 PolarHBondContact CE1-O 2.97Å; L1343-L1347 HydrophobicContact CD2-CD1 4.19Å; L1343-L1347 WeakPolarHBondContact O-CB 3.39Å; L1343-L1347 WeakPolarHBondContact O-CD1 3.26Å; L1343-L1347 VanDerWaalsContact O-CG 3.23Å; L1343-L1347 WeakPolarHBondContact O-CG 3.43Å; L1343-L1347 PolarHBondContact O-N 2.87Å; V1344-L1347 PolarHBondContact O-N 3.41Å; V1344-L1347 VanDerWaalsContact O-N 3.15Å; V1345-L1347 VanDerWaalsContact C-N 3.29Å; V1345-L1347 PolarHBondContact O-N 2.85Å; V1345-L1347 VanDerWaalsContact O-N 3.13Å; L1347-T1349 PolarHBondContact O-N 3.4Å; L1347-L1364 HydrophobicContact CD2-CD2 4.14Å
1348R45Very low47.2Very low184.8 Ų184.8100.6 Ų100.670%0.69752%0.523SS*.  trans-9896.9172-77.4-174.9178.4171.40.6111.8N1339 V1344 V1345 L1346 E1350N1339-R1348 PolarHBondContact OD1-NH1 2.63Å; V1344-R1348 HydrophobicContact CG1-CG 4.4Å; V1344-R1348 PolarHBondContact O-N 2.98Å; V1345-R1348 HydrophobicContact CG1-CG 3.97Å; L1346-R1348 HydrophobicContact CB-CG 4.33Å; L1346-R1348 HydrophobicContact CD2-CG 3.92Å; L1346-R1348 PolarHBondContact O-N 3.41Å; L1346-R1348 VanDerWaalsContact O-N 3.16Å; R1348-E1350 VanDerWaalsContact C-N 3.33Å; R1348-E1350 PolarHBondContact O-N 3.26Å
1349T43.1Very low46.6Very low82.2 Ų82.2101.7 Ų101.750%0.50454%0.538SS..  trans-90101.3167.536.30000110.5N938 L962 L1347 D1351 L1364N938-T1349 PolarHBondContact ND2-O 3.35Å; L962-T1349 HydrophobicContact CB-CG2 4.2Å; L962-T1349 HydrophobicContact CD1-CG2 4.34Å; L1347-T1349 PolarHBondContact O-N 3.4Å; T1349-D1351 WeakPolarHBondContact CB-OD2 3.3Å; T1349-D1351 PolarHBondContact O-N 2.98Å; T1349-D1351 VanDerWaalsContact O-N 3.17Å; T1349-D1351 PolarHBondContact OG1-OD2 3.39Å; T1349-L1364 HydrophobicContact CG2-CD1 4.48Å
1350E37.3Very low46Very low165.6 Ų165.6101.5 Ų101.577%0.77454%0.539SS*.  trans-94.391.6170.3-70.5-179.8168.400110R1348 L1364R1348-E1350 VanDerWaalsContact C-N 3.33Å; R1348-E1350 PolarHBondContact O-N 3.26Å; E1350-L1364 VanDerWaalsContact OE2-CD1 3.28Å; E1350-L1364 WeakPolarHBondContact OE2-CD1 3.48Å
1351D34.5Very low46.1Very low138.8 Ų138.8104.6 Ų104.674%0.74255%0.553SS**  trans-141.369.7171.4-70.4-45.7000112.9T1349 D1353T1349-D1351 WeakPolarHBondContact CB-OD2 3.3Å; T1349-D1351 PolarHBondContact O-N 2.98Å; T1349-D1351 VanDerWaalsContact O-N 3.17Å; T1349-D1351 PolarHBondContact OG1-OD2 3.39Å; D1351-D1353 VanDerWaalsContact C-N 3.34Å; D1351-D1353 PolarHBondContact O-N 3.1Å
1352D32.9Very low46.5Very low142.4 Ų142.4109.6 Ų109.676%0.76157%0.569SS**  trans-160.354.8166-96.3-29.1000116.9R937 S1354R937-D1352 IonicContact CZ-OD1 3.21Å; R937-D1352 IonicContact NH1-OD1 2.73Å; R937-D1352 PolarHBondContact NH1-OD1 3.34Å; D1352-S1354 VanDerWaalsContact C-N 3.31Å; D1352-S1354 PolarHBondContact O-N 3.28Å
1353D34.2Very low46.9Very low138.2 Ų138.2111.5 Ų111.574%0.73957%0.571SS**  trans-112.747.7176.2-107.4-24.9000115.8D1351 R1355 S1356D1351-D1353 VanDerWaalsContact C-N 3.34Å; D1351-D1353 PolarHBondContact O-N 3.1Å; D1353-R1355 PolarHBondContact O-N 2.98Å; D1353-S1356 PolarHBondContact O-N 3.32Å; D1353-S1356 VanDerWaalsContact O-N 3.08Å; D1353-S1356 PolarHBondContact O-OG 3.34Å; D1353-S1356 WeakPolarHBondContact OD1-CB 3.42Å; D1353-S1356 PolarHBondContact OD1-OG 2.93Å; D1353-S1356 VanDerWaalsContact OD1-OG 3.12Å; D1353-S1356 WeakPolarHBondContact OD2-CB 3.44Å; D1353-S1356 PolarHBondContact OD2-OG 2.69Å
1354S37.6Very low47.3Very low107.2 Ų107.2112.2 Ų112.275%0.7557%0.574SS**THydrogen-bonded Turntrans-92.916.7175.159.60000116.5D1352 S1356 S1357D1352-S1354 VanDerWaalsContact C-N 3.31Å; D1352-S1354 PolarHBondContact O-N 3.28Å; S1354-S1356 PolarHBondContact O-N 3.33Å; S1354-S1356 VanDerWaalsContact O-N 3.08Å; S1354-S1357 PolarHBondContact O-OG 2.8Å
1355R38.4Very low48.5Very low239.2 Ų239.2111.3 Ų111.390%0.90357%0.567SS**SBendtrans-127.2-1.6176-77.6-176.2168.2-176-3.7116.4D1353 S1357D1353-R1355 PolarHBondContact O-N 2.98Å; R1355-S1357 PolarHBondContact O-N 3.38Å
1356S39.7Very low49.7Very low63.2 Ų63.2113.5 Ų113.544%0.44258%0.575SS.*  trans-90.5-317857.60000113.5D1353 S1354 E1358 S1359 T1360D1353-S1356 PolarHBondContact O-N 3.32Å; D1353-S1356 VanDerWaalsContact O-N 3.08Å; D1353-S1356 PolarHBondContact O-OG 3.34Å; D1353-S1356 WeakPolarHBondContact OD1-CB 3.42Å; D1353-S1356 PolarHBondContact OD1-OG 2.93Å; D1353-S1356 VanDerWaalsContact OD1-OG 3.12Å; D1353-S1356 WeakPolarHBondContact OD2-CB 3.44Å; D1353-S1356 PolarHBondContact OD2-OG 2.69Å; S1354-S1356 PolarHBondContact O-N 3.33Å; S1354-S1356 VanDerWaalsContact O-N 3.08Å; S1356-E1358 VanDerWaalsContact C-N 3.32Å; S1356-E1358 PolarHBondContact O-N 3.15Å; S1356-S1359 PolarHBondContact O-N 3.21Å; S1356-S1359 VanDerWaalsContact O-N 3.15Å; S1356-S1359 PolarHBondContact O-OG 3.41Å; S1356-T1360 PolarHBondContact O-N 3.03Å; S1356-T1360 PolarHBondContact O-OG1 2.92Å
1357S43.4Very low50.8Low62.4 Ų62.4111.8 Ų111.844%0.43657%0.566SS.*Hα-helixtrans-67.2-44.1-168.452.60000114.2S1354 R1355 S1359 T1360 I1361S1354-S1357 PolarHBondContact O-OG 2.8Å; R1355-S1357 PolarHBondContact O-N 3.38Å; S1357-S1359 PolarHBondContact O-N 3.06Å; S1357-S1359 PolarHBondContact OG-OG 3.11Å; S1357-T1360 WeakPolarHBondContact CA-OG1 3.47Å; S1357-T1360 WeakPolarHBondContact O-CB 3.47Å; S1357-T1360 PolarHBondContact O-N 2.9Å; S1357-T1360 PolarHBondContact O-OG1 3.18Å; S1357-T1360 VanDerWaalsContact O-OG1 3.09Å; S1357-I1361 VanDerWaalsContact O-CB 3.28Å; S1357-I1361 WeakPolarHBondContact O-CB 3.2Å; S1357-I1361 WeakPolarHBondContact O-CD1 3.38Å; S1357-I1361 WeakPolarHBondContact O-CG1 3.38Å; S1357-I1361 PolarHBondContact O-N 3.12Å; S1357-I1361 VanDerWaalsContact O-N 3.13Å
1358E42.7Very low52.1Low155.8 Ų155.8112.2 Ų112.273%0.72856%0.563SS**Hα-helixtrans-58.4-44.7-176.4-131.9168.8-179.500112.6S1356 T1360 I1361 E1362S1356-E1358 VanDerWaalsContact C-N 3.32Å; S1356-E1358 PolarHBondContact O-N 3.15Å; E1358-T1360 VanDerWaalsContact C-N 3.29Å; E1358-T1360 PolarHBondContact O-N 3.15Å; E1358-T1360 VanDerWaalsContact O-N 3.11Å; E1358-I1361 WeakPolarHBondContact O-CB 3.36Å; E1358-I1361 PolarHBondContact O-N 2.93Å; E1358-I1361 VanDerWaalsContact O-N 3.09Å; E1358-E1362 PolarHBondContact O-N 3.2Å; E1358-E1362 VanDerWaalsContact O-N 3.11Å
1359S51.1Low53.8Low72.6 Ų72.6109.1 Ų109.151%0.50856%0.555SS.*Hα-helixtrans-63-28.5177.771.40000114.2S1356 S1357 R1363S1356-S1359 PolarHBondContact O-N 3.21Å; S1356-S1359 VanDerWaalsContact O-N 3.15Å; S1356-S1359 PolarHBondContact O-OG 3.41Å; S1357-S1359 PolarHBondContact O-N 3.06Å; S1357-S1359 PolarHBondContact OG-OG 3.11Å; S1359-R1363 WeakPolarHBondContact O-CB 3.24Å; S1359-R1363 PolarHBondContact O-N 3.17Å; S1359-R1363 VanDerWaalsContact O-N 3.15Å
1360T51.4Low55.5Low64.6 Ų64.6109.8 Ų109.840%0.39655%0.551SS.*Hα-helixtrans-75.6-36.2176.160.50000111.5S1356 S1357 E1358 R1363 L1364S1356-T1360 PolarHBondContact O-N 3.03Å; S1356-T1360 PolarHBondContact O-OG1 2.92Å; S1357-T1360 WeakPolarHBondContact CA-OG1 3.47Å; S1357-T1360 WeakPolarHBondContact O-CB 3.47Å; S1357-T1360 PolarHBondContact O-N 2.9Å; S1357-T1360 PolarHBondContact O-OG1 3.18Å; S1357-T1360 VanDerWaalsContact O-OG1 3.09Å; E1358-T1360 VanDerWaalsContact C-N 3.29Å; E1358-T1360 PolarHBondContact O-N 3.15Å; E1358-T1360 VanDerWaalsContact O-N 3.11Å; T1360-R1363 PolarHBondContact O-N 3.39Å; T1360-L1364 VanDerWaalsContact O-CB 3.23Å; T1360-L1364 WeakPolarHBondContact O-CB 3.34Å; T1360-L1364 WeakPolarHBondContact O-CD1 3.43Å; T1360-L1364 VanDerWaalsContact O-CG 3.25Å; T1360-L1364 WeakPolarHBondContact O-CG 3.38Å; T1360-L1364 PolarHBondContact O-N 3.18Å
1361I61.8Low57.4Low82.8 Ų82.8104.1 Ų104.143%0.42553%0.526SS..Hα-helixtrans-66.2-45.9174.4-65.8166.8000110.2S1357 E1358 R1363 L1364 I1365S1357-I1361 VanDerWaalsContact O-CB 3.28Å; S1357-I1361 WeakPolarHBondContact O-CB 3.2Å; S1357-I1361 WeakPolarHBondContact O-CD1 3.38Å; S1357-I1361 WeakPolarHBondContact O-CG1 3.38Å; S1357-I1361 PolarHBondContact O-N 3.12Å; S1357-I1361 VanDerWaalsContact O-N 3.13Å; E1358-I1361 WeakPolarHBondContact O-CB 3.36Å; E1358-I1361 PolarHBondContact O-N 2.93Å; E1358-I1361 VanDerWaalsContact O-N 3.09Å; I1361-R1363 VanDerWaalsContact C-N 3.32Å; I1361-R1363 PolarHBondContact O-N 3.03Å; I1361-L1364 WeakPolarHBondContact O-CB 3.27Å; I1361-L1364 PolarHBondContact O-N 3.07Å; I1361-L1364 VanDerWaalsContact O-N 3.13Å; I1361-I1365 HydrophobicContact CG2-CD1 3.9Å; I1361-I1365 HydrophobicContact CG2-CG1 4.44Å; I1361-I1365 WeakPolarHBondContact O-CB 3.26Å; I1361-I1365 VanDerWaalsContact O-CG1 3.28Å; I1361-I1365 WeakPolarHBondContact O-CG1 3.28Å; I1361-I1365 PolarHBondContact O-N 3.16Å
1362E66.6Low59.7Low134.6 Ų134.699.8 Ų99.863%0.62950%0.502SS*.Hα-helixtrans-58.2-45.2174.5-70.6-168.8141.800112.2E1358 L1364 I1365 L1366E1358-E1362 PolarHBondContact O-N 3.2Å; E1358-E1362 VanDerWaalsContact O-N 3.11Å; E1362-L1364 VanDerWaalsContact C-N 3.32Å; E1362-L1364 PolarHBondContact O-N 3.18Å; E1362-I1365 PolarHBondContact O-N 2.96Å; E1362-L1366 WeakPolarHBondContact O-CB 3.34Å; E1362-L1366 PolarHBondContact O-N 2.99Å
1363R64.3Low62Low158.4 Ų158.496.3 Ų96.360%0.59849%0.486SS*.Hα-helixtrans-61.4-41.4176.2-163.3174.6174.1170.4-3.4111.8E402 E676 S1359 T1360 I1361 L1366 I1367E402-R1363 IonicContact OE1-NH1 3.15Å; E402-R1363 IonicContact OE2-NH1 2.59Å; E676-R1363 IonicContact OE1-CZ 2.66Å; E676-R1363 IonicContact OE1-NE 3.21Å; E676-R1363 PolarHBondContact OE1-NE 3.3Å; E676-R1363 IonicContact OE1-NH2 3.13Å; E676-R1363 PolarHBondContact OE1-NH2 3.34Å; E676-R1363 IonicContact OE2-NH2 3.58Å; S1359-R1363 WeakPolarHBondContact O-CB 3.24Å; S1359-R1363 PolarHBondContact O-N 3.17Å; S1359-R1363 VanDerWaalsContact O-N 3.15Å; T1360-R1363 PolarHBondContact O-N 3.39Å; I1361-R1363 VanDerWaalsContact C-N 3.32Å; I1361-R1363 PolarHBondContact O-N 3.03Å; R1363-L1366 WeakPolarHBondContact O-CB 3.18Å; R1363-L1366 PolarHBondContact O-N 3.04Å; R1363-I1367 HydrophobicContact CG-CD1 3.77Å; R1363-I1367 HydrophobicContact CG-CG1 4.42Å; R1363-I1367 WeakPolarHBondContact O-CB 3.33Å; R1363-I1367 VanDerWaalsContact O-CD1 3.32Å; R1363-I1367 WeakPolarHBondContact O-CD1 3.35Å; R1363-I1367 VanDerWaalsContact O-CG1 3.26Å; R1363-I1367 WeakPolarHBondContact O-CG1 3.33Å; R1363-I1367 PolarHBondContact O-N 3.14Å
1364L66.1Low64.1Low58.2 Ų58.291.6 Ų91.631%0.30546%0.461SS..Hα-helixtrans-65.8-42.3176.5-89.7150.4000112E675 L1346 L1347 T1349 E1350 T1360 I1361 E1362 L1366 I1367 R1368E675-L1364 HydrophobicContact CB-CD1 4.5Å; E675-L1364 VanDerWaalsContact OE2-CD1 3.3Å; E675-L1364 WeakPolarHBondContact OE2-CD1 3.45Å; L1346-L1364 HydrophobicContact CB-CD2 4.27Å; L1346-L1364 WeakPolarHBondContact O-CD1 3.27Å; L1346-L1364 WeakPolarHBondContact O-CD2 3.46Å; L1347-L1364 HydrophobicContact CD2-CD2 4.14Å; T1349-L1364 HydrophobicContact CG2-CD1 4.48Å; E1350-L1364 VanDerWaalsContact OE2-CD1 3.28Å; E1350-L1364 WeakPolarHBondContact OE2-CD1 3.48Å; T1360-L1364 VanDerWaalsContact O-CB 3.23Å; T1360-L1364 WeakPolarHBondContact O-CB 3.34Å; T1360-L1364 WeakPolarHBondContact O-CD1 3.43Å; T1360-L1364 VanDerWaalsContact O-CG 3.25Å; T1360-L1364 WeakPolarHBondContact O-CG 3.38Å; T1360-L1364 PolarHBondContact O-N 3.18Å; I1361-L1364 WeakPolarHBondContact O-CB 3.27Å; I1361-L1364 PolarHBondContact O-N 3.07Å; I1361-L1364 VanDerWaalsContact O-N 3.13Å; E1362-L1364 VanDerWaalsContact C-N 3.32Å; E1362-L1364 PolarHBondContact O-N 3.18Å; L1364-L1366 VanDerWaalsContact C-N 3.31Å; L1364-L1366 PolarHBondContact O-N 3.09Å; L1364-I1367 PolarHBondContact O-N 3.25Å; L1364-R1368 VanDerWaalsContact CD2-NH2 3.34Å; L1364-R1368 WeakPolarHBondContact O-CB 3.38Å; L1364-R1368 WeakPolarHBondContact O-CG 3.37Å; L1364-R1368 PolarHBondContact O-N 3.13Å
1365I75.4Confident66.1Low62.4 Ų62.487.5 Ų87.532%0.3243%0.434SS..Hα-helixtrans-60.1-43.7174-68165.2000110.4L720 E723 I1361 E1362 R1368 K1369 R1627L720-I1365 HydrophobicContact CD2-CG2 4.4Å; E723-I1365 HydrophobicContact CB-CD1 4.1Å; E723-I1365 HydrophobicContact CB-CG1 4.16Å; I1361-I1365 HydrophobicContact CG2-CD1 3.9Å; I1361-I1365 HydrophobicContact CG2-CG1 4.44Å; I1361-I1365 WeakPolarHBondContact O-CB 3.26Å; I1361-I1365 VanDerWaalsContact O-CG1 3.28Å; I1361-I1365 WeakPolarHBondContact O-CG1 3.28Å; I1361-I1365 PolarHBondContact O-N 3.16Å; E1362-I1365 PolarHBondContact O-N 2.96Å; I1365-R1368 PolarHBondContact O-N 3.24Å; I1365-K1369 HydrophobicContact CG2-CD 4.11Å; I1365-K1369 VanDerWaalsContact O-CB 3.25Å; I1365-K1369 WeakPolarHBondContact O-CB 3.36Å; I1365-K1369 VanDerWaalsContact O-CG 3.26Å; I1365-K1369 WeakPolarHBondContact O-CG 3.45Å; I1365-K1369 PolarHBondContact O-N 3.25Å; I1365-R1627 VanDerWaalsContact CD1-NH2 3.29Å
1366L76.7Confident68.2Low122.8 Ų122.879.6 Ų79.664%0.64341%0.409SS*.Hα-helixtrans-64.1-44.3178-171.567.6000111.9E1362 R1363 L1364 R1368 K1369 H1370E1362-L1366 WeakPolarHBondContact O-CB 3.34Å; E1362-L1366 PolarHBondContact O-N 2.99Å; R1363-L1366 WeakPolarHBondContact O-CB 3.18Å; R1363-L1366 PolarHBondContact O-N 3.04Å; L1364-L1366 VanDerWaalsContact C-N 3.31Å; L1364-L1366 PolarHBondContact O-N 3.09Å; L1366-R1368 VanDerWaalsContact C-N 3.33Å; L1366-R1368 PolarHBondContact O-N 2.7Å; L1366-K1369 PolarHBondContact O-N 3.14Å; L1366-H1370 WeakPolarHBondContact O-CB 3.3Å; L1366-H1370 PolarHBondContact O-N 3.22Å
1367I75.4Confident70.1Confident49 Ų4980.8 Ų80.825%0.25141%0.408SS..Hα-helixtrans-61.2-45.9175.4-69.3161.1000110.5E675 E676 R1363 L1364 K1369 H1370 M1371E675-I1367 HydrophobicContact CB-CG2 4.4Å; E676-I1367 HydrophobicContact CG-CD1 3.95Å; R1363-I1367 HydrophobicContact CG-CD1 3.77Å; R1363-I1367 HydrophobicContact CG-CG1 4.42Å; R1363-I1367 WeakPolarHBondContact O-CB 3.33Å; R1363-I1367 VanDerWaalsContact O-CD1 3.32Å; R1363-I1367 WeakPolarHBondContact O-CD1 3.35Å; R1363-I1367 VanDerWaalsContact O-CG1 3.26Å; R1363-I1367 WeakPolarHBondContact O-CG1 3.33Å; R1363-I1367 PolarHBondContact O-N 3.14Å; L1364-I1367 PolarHBondContact O-N 3.25Å; I1367-K1369 VanDerWaalsContact C-N 3.33Å; I1367-K1369 PolarHBondContact O-N 3.19Å; I1367-H1370 CarbonylContact O-C 3.53Å; I1367-H1370 WeakPolarHBondContact O-CB 3.4Å; I1367-H1370 PolarHBondContact O-N 3.32Å; I1367-M1371 HydrophobicContact CG2-CE 3.98Å; I1367-M1371 HydrophobicContact CG2-CG 4.34Å; I1367-M1371 HydrophobicContact CG2-SD 4.09Å; I1367-M1371 WeakPolarHBondContact CG2-SD 3.37Å; I1367-M1371 WeakPolarHBondContact O-CB 3.46Å; I1367-M1371 VanDerWaalsContact O-CG 3.32Å; I1367-M1371 WeakPolarHBondContact O-CG 3.34Å; I1367-M1371 PolarHBondContact O-N 3.08Å
1368R76Confident71.8Confident71.6 Ų71.679.9 Ų79.927%0.2740%0.398SS..Hα-helixtrans-63.5-39.9178.3-105.4172.7-171.6162.53.1112.5E675 L716 L720 E723 D1325 L1364 I1365 L1366 H1370 M1371 L1372 S1623 S1624E675-R1368 IonicContact OE1-CZ 3.15Å; E675-R1368 IonicContact OE1-NE 3.67Å; E675-R1368 PolarHBondContact OE1-NE 3.1Å; E675-R1368 VanDerWaalsContact OE1-NE 3.15Å; E675-R1368 IonicContact OE1-NH2 3.24Å; E675-R1368 PolarHBondContact OE1-NH2 3.19Å; E675-R1368 WeakPolarHBondContact OE2-CG 3.42Å; E675-R1368 IonicContact OE2-CZ 3.94Å; E675-R1368 IonicContact OE2-NE 3.54Å; E675-R1368 PolarHBondContact OE2-NE 3.34Å; E675-R1368 IonicContact OE2-NH2 3.19Å; L716-R1368 HydrophobicContact CD2-CB 4.34Å; L716-R1368 HydrophobicContact CD2-CG 4.19Å; L720-R1368 HydrophobicContact CD1-CB 4.48Å; L720-R1368 HydrophobicContact CD2-CB 3.86Å; L720-R1368 HydrophobicContact CG-CB 4.27Å; E723-R1368 IonicContact OE1-CZ 3.86Å; E723-R1368 IonicContact OE1-NH1 3.62Å; E723-R1368 PolarHBondContact OE1-NH1 3.25Å; E723-R1368 WeakPolarHBondContact OE2-CD 3.16Å; E723-R1368 IonicContact OE2-CZ 3.61Å; E723-R1368 IonicContact OE2-NH1 3.45Å; E723-R1368 PolarHBondContact OE2-NH1 3.22Å; D1325-R1368 IonicContact OD1-NH2 3.19Å; D1325-R1368 PolarHBondContact OD1-NH2 3.33Å; D1325-R1368 IonicContact OD2-NH2 3.11Å; D1325-R1368 PolarHBondContact OD2-NH2 3.36Å; L1364-R1368 VanDerWaalsContact CD2-NH2 3.34Å; L1364-R1368 WeakPolarHBondContact O-CB 3.38Å; L1364-R1368 WeakPolarHBondContact O-CG 3.37Å; L1364-R1368 PolarHBondContact O-N 3.13Å; I1365-R1368 PolarHBondContact O-N 3.24Å; L1366-R1368 VanDerWaalsContact C-N 3.33Å; L1366-R1368 PolarHBondContact O-N 2.7Å; R1368-H1370 VanDerWaalsContact C-N 3.31Å; R1368-H1370 PolarHBondContact O-N 3.5Å; R1368-M1371 HydrophobicContact CB-CE 4.33Å; R1368-M1371 HydrophobicContact CG-CE 3.76Å; R1368-M1371 PolarHBondContact O-N 2.94Å; R1368-L1372 WeakPolarHBondContact O-CB 3.39Å; R1368-L1372 VanDerWaalsContact O-CG 3.31Å; R1368-L1372 WeakPolarHBondContact O-CG 3.34Å; R1368-L1372 PolarHBondContact O-N 3.21Å; R1368-S1623 PolarHBondContact NH2-O 3.03Å; R1368-S1623 PolarHBondContact NH2-OG 2.86Å; R1368-S1624 PolarHBondContact NH1-OG 3.16Å
1369K80.5Confident73.5Confident119.8 Ų119.874.8 Ų74.852%0.52138%0.375SS..Hα-helixtrans-63.7-41.6173.6-107.9173.8-177.7176.30111.7L720 N724 I1365 L1366 I1367 L1372 T1373L720-K1369 HydrophobicContact CD1-CG 4.29Å; L720-K1369 HydrophobicContact CD2-CG 3.84Å; N724-K1369 WeakPolarHBondContact OD1-CE 3.45Å; N724-K1369 PolarHBondContact OD1-NZ 2.99Å; I1365-K1369 HydrophobicContact CG2-CD 4.11Å; I1365-K1369 VanDerWaalsContact O-CB 3.25Å; I1365-K1369 WeakPolarHBondContact O-CB 3.36Å; I1365-K1369 VanDerWaalsContact O-CG 3.26Å; I1365-K1369 WeakPolarHBondContact O-CG 3.45Å; I1365-K1369 PolarHBondContact O-N 3.25Å; L1366-K1369 PolarHBondContact O-N 3.14Å; I1367-K1369 VanDerWaalsContact C-N 3.33Å; I1367-K1369 PolarHBondContact O-N 3.19Å; K1369-L1372 PolarHBondContact O-N 3.09Å; K1369-T1373 WeakPolarHBondContact O-CB 3.35Å; K1369-T1373 PolarHBondContact O-N 2.97Å; K1369-T1373 VanDerWaalsContact O-N 3.08Å; K1369-T1373 PolarHBondContact O-OG1 3.15Å
1370H79.2Confident74.7Confident95.2 Ų95.277 Ų7744%0.44138%0.378SS..Hα-helixtrans-66.2-44.6175.5-171.437.5000112S679 E683 L1366 I1367 R1368 L1372 T1373 L1374S679-H1370 PolarHBondContact OG-CD2 3.29Å; S679-H1370 VanDerWaalsContact OG-CD2 3.28Å; E683-H1370 IonicContact OE1-CE1 2.76Å; E683-H1370 IonicContact OE1-NE2 3.32Å; E683-H1370 PolarHBondContact OE1-NE2 3.1Å; L1366-H1370 WeakPolarHBondContact O-CB 3.3Å; L1366-H1370 PolarHBondContact O-N 3.22Å; I1367-H1370 CarbonylContact O-C 3.53Å; I1367-H1370 WeakPolarHBondContact O-CB 3.4Å; I1367-H1370 PolarHBondContact O-N 3.32Å; R1368-H1370 VanDerWaalsContact C-N 3.31Å; R1368-H1370 PolarHBondContact O-N 3.5Å; H1370-L1372 VanDerWaalsContact C-N 3.32Å; H1370-L1372 PolarHBondContact O-N 2.96Å; H1370-T1373 WeakPolarHBondContact O-CB 3.36Å; H1370-T1373 PolarHBondContact O-N 3.18Å; H1370-T1373 VanDerWaalsContact O-N 3.16Å; H1370-L1374 WeakPolarHBondContact NE2-CD1 3.35Å; H1370-L1374 VanDerWaalsContact O-CG 3.32Å; H1370-L1374 WeakPolarHBondContact O-CG 3.35Å; H1370-L1374 PolarHBondContact O-N 2.95Å
1371M78.1Confident75.8Confident47.2 Ų47.281 Ų8123%0.23339%0.385CS..Hα-helixtrans-58.6-44.1174.5-73.2-178-139.500112.2E675 I678 S679 L682 L716 I1367 R1368 T1373 L1374 A1375 F1620E675-M1371 HydrophobicContact CB-CE 3.75Å; E675-M1371 HydrophobicContact CB-SD 4.21Å; E675-M1371 HydrophobicContact CG-CE 3.99Å; E675-M1371 WeakPolarHBondContact OE2-CE 3.41Å; I678-M1371 HydrophobicContact CB-SD 3.96Å; I678-M1371 HydrophobicContact CG2-SD 3.74Å; S679-M1371 VanDerWaalsContact CB-CG 3.5Å; L682-M1371 HydrophobicContact CD1-CB 4.12Å; L682-M1371 HydrophobicContact CD1-CG 4.36Å; L716-M1371 HydrophobicContact CD1-CB 3.72Å; L716-M1371 HydrophobicContact CD2-CE 3.71Å; I1367-M1371 HydrophobicContact CG2-CE 3.98Å; I1367-M1371 HydrophobicContact CG2-CG 4.34Å; I1367-M1371 HydrophobicContact CG2-SD 4.09Å; I1367-M1371 WeakPolarHBondContact CG2-SD 3.37Å; I1367-M1371 WeakPolarHBondContact O-CB 3.46Å; I1367-M1371 VanDerWaalsContact O-CG 3.32Å; I1367-M1371 WeakPolarHBondContact O-CG 3.34Å; I1367-M1371 PolarHBondContact O-N 3.08Å; R1368-M1371 HydrophobicContact CB-CE 4.33Å; R1368-M1371 HydrophobicContact CG-CE 3.76Å; R1368-M1371 PolarHBondContact O-N 2.94Å; M1371-T1373 VanDerWaalsContact C-N 3.32Å; M1371-T1373 PolarHBondContact O-N 3.06Å; M1371-L1374 PolarHBondContact O-N 3.23Å; M1371-A1375 VanDerWaalsContact O-CB 3.25Å; M1371-A1375 WeakPolarHBondContact O-CB 3.38Å; M1371-A1375 PolarHBondContact O-N 2.92Å; M1371-F1620 HydrophobicContact CE-CE1 3.47Å; M1371-F1620 VanDerWaalsContact CE-CE1 3.47Å; M1371-F1620 HydrophobicContact CE-CZ 3.36Å
1372L81.4Confident76Confident48.6 Ų48.678.8 Ų78.825%0.25438%0.375SS..Hα-helixtrans-62.8-40.6175.8-140.2105.2000111.6I713 L716 L720 R1368 K1369 H1370 A1375 N1376I713-L1372 HydrophobicContact CB-CD1 4.47Å; I713-L1372 HydrophobicContact CG2-CD1 3.98Å; L716-L1372 HydrophobicContact CB-CB 4.45Å; L716-L1372 HydrophobicContact CB-CD1 3.99Å; L716-L1372 HydrophobicContact CD1-CB 4.4Å; L720-L1372 HydrophobicContact CD1-CB 4.22Å; L720-L1372 HydrophobicContact CD1-CD2 3.78Å; L720-L1372 HydrophobicContact CD1-CG 4.36Å; R1368-L1372 WeakPolarHBondContact O-CB 3.39Å; R1368-L1372 VanDerWaalsContact O-CG 3.31Å; R1368-L1372 WeakPolarHBondContact O-CG 3.34Å; R1368-L1372 PolarHBondContact O-N 3.21Å; K1369-L1372 PolarHBondContact O-N 3.09Å; H1370-L1372 VanDerWaalsContact C-N 3.32Å; H1370-L1372 PolarHBondContact O-N 2.96Å; L1372-A1375 PolarHBondContact O-N 2.93Å; L1372-N1376 WeakPolarHBondContact CD1-ND2 3.3Å; L1372-N1376 WeakPolarHBondContact O-CB 3.39Å; L1372-N1376 VanDerWaalsContact O-CG 3.26Å; L1372-N1376 PolarHBondContact O-N 3.16Å; L1372-N1376 VanDerWaalsContact O-N 3.07Å; L1372-N1376 PolarHBondContact O-ND2 2.98Å; L1372-N1376 PolarHBondContact O-OD1 3.21Å
1373T82.5Confident76Confident69.4 Ų69.476.6 Ų76.643%0.42636%0.364SS..Hα-helixtrans-63.2-45.8176.9-52.70000111.3K1369 H1370 M1371 N1376 Q1377K1369-T1373 WeakPolarHBondContact O-CB 3.35Å; K1369-T1373 PolarHBondContact O-N 2.97Å; K1369-T1373 VanDerWaalsContact O-N 3.08Å; K1369-T1373 PolarHBondContact O-OG1 3.15Å; H1370-T1373 WeakPolarHBondContact O-CB 3.36Å; H1370-T1373 PolarHBondContact O-N 3.18Å; H1370-T1373 VanDerWaalsContact O-N 3.16Å; M1371-T1373 VanDerWaalsContact C-N 3.32Å; M1371-T1373 PolarHBondContact O-N 3.06Å; T1373-N1376 PolarHBondContact O-N 3.17Å; T1373-Q1377 WeakPolarHBondContact O-CB 3.11Å; T1373-Q1377 VanDerWaalsContact O-CG 3.3Å; T1373-Q1377 WeakPolarHBondContact O-CG 3.34Å; T1373-Q1377 PolarHBondContact O-N 3.19Å
1374L78.6Confident75.6Confident37.8 Ų37.873.3 Ų73.320%0.19836%0.358CS..Hα-helixtrans-64.8-42.7176.9-70.9170.3000112.3L682 E683 L686 L1260 H1370 M1371 N1376 Q1377 L1378L682-L1374 HydrophobicContact CB-CB 4.06Å; L682-L1374 HydrophobicContact CB-CD1 4.25Å; E683-L1374 HydrophobicContact CB-CD1 4.2Å; E683-L1374 HydrophobicContact CG-CD1 3.67Å; E683-L1374 HydrophobicContact CG-CD2 3.93Å; E683-L1374 HydrophobicContact CG-CG 4.48Å; L686-L1374 HydrophobicContact CD2-CD2 4.17Å; L1260-L1374 HydrophobicContact CD2-CD1 4.17Å; H1370-L1374 WeakPolarHBondContact NE2-CD1 3.35Å; H1370-L1374 VanDerWaalsContact O-CG 3.32Å; H1370-L1374 WeakPolarHBondContact O-CG 3.35Å; H1370-L1374 PolarHBondContact O-N 2.95Å; M1371-L1374 PolarHBondContact O-N 3.23Å; L1374-N1376 VanDerWaalsContact C-N 3.34Å; L1374-N1376 PolarHBondContact O-N 3.34Å; L1374-Q1377 PolarHBondContact O-N 3.16Å; L1374-L1378 VanDerWaalsContact O-CB 3.28Å; L1374-L1378 WeakPolarHBondContact O-CB 3.35Å; L1374-L1378 VanDerWaalsContact O-CG 3.31Å; L1374-L1378 WeakPolarHBondContact O-CG 3.43Å; L1374-L1378 PolarHBondContact O-N 3.11Å
1375A79.5Confident74.9Confident21.6 Ų21.673.4 Ų73.418%0.17936%0.358CS..Hα-helixtrans-63.9-41.2178.500000111.7L682 I709 I713 M1371 L1372 L1378 L1379L682-A1375 HydrophobicContact CD1-CB 4.25Å; L682-A1375 HydrophobicContact CD2-CB 4.37Å; I709-A1375 HydrophobicContact CG2-CB 4.19Å; I713-A1375 HydrophobicContact CD1-CB 3.99Å; I713-A1375 HydrophobicContact CG1-CB 3.5Å; I713-A1375 VanDerWaalsContact CG1-CB 3.49Å; M1371-A1375 VanDerWaalsContact O-CB 3.25Å; M1371-A1375 WeakPolarHBondContact O-CB 3.38Å; M1371-A1375 PolarHBondContact O-N 2.92Å; L1372-A1375 PolarHBondContact O-N 2.93Å; A1375-L1378 WeakPolarHBondContact O-CB 3.19Å; A1375-L1378 PolarHBondContact O-N 3.23Å; A1375-L1379 VanDerWaalsContact O-CB 3.32Å; A1375-L1379 WeakPolarHBondContact O-CB 3.41Å; A1375-L1379 PolarHBondContact O-N 3.06Å
1376N81Confident73.7Confident72.6 Ų72.673.6 Ų73.639%0.38836%0.362SS..Hα-helixtrans-65.9-44.1174.6-74.3-22.9000112.1I713 L1372 T1373 L1374 L1378 L1379 E1380I713-N1376 WeakPolarHBondContact CD1-OD1 3.27Å; L1372-N1376 WeakPolarHBondContact CD1-ND2 3.3Å; L1372-N1376 WeakPolarHBondContact O-CB 3.39Å; L1372-N1376 VanDerWaalsContact O-CG 3.26Å; L1372-N1376 PolarHBondContact O-N 3.16Å; L1372-N1376 VanDerWaalsContact O-N 3.07Å; L1372-N1376 PolarHBondContact O-ND2 2.98Å; L1372-N1376 PolarHBondContact O-OD1 3.21Å; T1373-N1376 PolarHBondContact O-N 3.17Å; L1374-N1376 VanDerWaalsContact C-N 3.34Å; L1374-N1376 PolarHBondContact O-N 3.34Å; N1376-L1378 VanDerWaalsContact C-N 3.28Å; N1376-L1378 PolarHBondContact O-N 3.07Å; N1376-L1379 WeakPolarHBondContact O-CB 3.18Å; N1376-L1379 PolarHBondContact O-N 2.94Å; N1376-L1379 VanDerWaalsContact O-N 3.15Å; N1376-E1380 WeakPolarHBondContact O-CB 3.44Å; N1376-E1380 WeakPolarHBondContact O-CG 3.33Å; N1376-E1380 PolarHBondContact O-N 2.91Å
1377Q80.1Confident72.2Confident90.4 Ų90.475.3 Ų75.342%0.42236%0.361SS..Hα-helixtrans-61-36.7175.1-74.9176.1-3.800112.7L686 T1373 L1374 R1381L686-Q1377 HydrophobicContact CD2-CB 4.4Å; T1373-Q1377 WeakPolarHBondContact O-CB 3.11Å; T1373-Q1377 VanDerWaalsContact O-CG 3.3Å; T1373-Q1377 WeakPolarHBondContact O-CG 3.34Å; T1373-Q1377 PolarHBondContact O-N 3.19Å; L1374-Q1377 PolarHBondContact O-N 3.16Å; Q1377-R1381 WeakPolarHBondContact O-CB 3.43Å; Q1377-R1381 VanDerWaalsContact O-CG 3.25Å; Q1377-R1381 WeakPolarHBondContact O-CG 3.33Å; Q1377-R1381 PolarHBondContact O-N 3.31Å
1378L78.7Confident70.8Confident43 Ų4378 Ų7823%0.22538%0.376CS..Hα-helixtrans-67.7-44.5174.8-130.2164.5000111.1L682 S685 L686 L689 I709 L1374 A1375 N1376 R1381 L1382L682-L1378 HydrophobicContact CB-CD1 4Å; L682-L1378 HydrophobicContact CD2-CD1 3.86Å; L682-L1378 HydrophobicContact CG-CD1 4.4Å; S685-L1378 WeakPolarHBondContact OG-CD1 3.3Å; L686-L1378 HydrophobicContact CB-CD2 3.81Å; L686-L1378 HydrophobicContact CB-CG 4.17Å; L686-L1378 HydrophobicContact CD1-CD2 4.05Å; L686-L1378 HydrophobicContact CD1-CG 4.31Å; L689-L1378 HydrophobicContact CD1-CD2 3.72Å; L689-L1378 HydrophobicContact CD1-CG 4.16Å; I709-L1378 HydrophobicContact CD1-CD1 3.96Å; I709-L1378 HydrophobicContact CD1-CD2 3.68Å; I709-L1378 HydrophobicContact CD1-CG 4.26Å; I709-L1378 HydrophobicContact CG1-CD1 4.39Å; L1374-L1378 VanDerWaalsContact O-CB 3.28Å; L1374-L1378 WeakPolarHBondContact O-CB 3.35Å; L1374-L1378 VanDerWaalsContact O-CG 3.31Å; L1374-L1378 WeakPolarHBondContact O-CG 3.43Å; L1374-L1378 PolarHBondContact O-N 3.11Å; A1375-L1378 WeakPolarHBondContact O-CB 3.19Å; A1375-L1378 PolarHBondContact O-N 3.23Å; N1376-L1378 VanDerWaalsContact C-N 3.28Å; N1376-L1378 PolarHBondContact O-N 3.07Å; L1378-R1381 PolarHBondContact O-N 3.05Å; L1378-L1382 HydrophobicContact CD2-CD1 3.47Å; L1378-L1382 HydrophobicContact CD2-CG 3.99Å; L1378-L1382 WeakPolarHBondContact O-CB 3.32Å; L1378-L1382 WeakPolarHBondContact O-CD1 3.17Å; L1378-L1382 VanDerWaalsContact O-CG 3.29Å; L1378-L1382 WeakPolarHBondContact O-CG 3.4Å; L1378-L1382 PolarHBondContact O-N 2.98Å; L1378-L1382 VanDerWaalsContact O-N 3.1Å
1379L78.2Confident69.2Low47.6 Ų47.677.2 Ų77.225%0.24938%0.381CS..Hα-helixtrans-63.8-44.9177.7-175.665.6000111.9I706 Q710 I713 A1375 N1376 R1381 L1382 Q1383I706-L1379 HydrophobicContact CG2-CD1 4.27Å; Q710-L1379 VanDerWaalsContact OE1-CD2 3.31Å; I713-L1379 HydrophobicContact CD1-CB 4.12Å; I713-L1379 HydrophobicContact CD1-CD2 3.86Å; I713-L1379 HydrophobicContact CD1-CG 4.46Å; A1375-L1379 VanDerWaalsContact O-CB 3.32Å; A1375-L1379 WeakPolarHBondContact O-CB 3.41Å; A1375-L1379 PolarHBondContact O-N 3.06Å; N1376-L1379 WeakPolarHBondContact O-CB 3.18Å; N1376-L1379 PolarHBondContact O-N 2.94Å; N1376-L1379 VanDerWaalsContact O-N 3.15Å; L1379-R1381 VanDerWaalsContact C-N 3.28Å; L1379-R1381 PolarHBondContact O-N 3.12Å; L1379-L1382 PolarHBondContact O-N 3.13Å; L1379-Q1383 HydrophobicContact CD1-CG 4.32Å; L1379-Q1383 HydrophobicContact CG-CG 4.41Å; L1379-Q1383 VanDerWaalsContact O-CB 3.31Å; L1379-Q1383 WeakPolarHBondContact O-CB 3.35Å; L1379-Q1383 VanDerWaalsContact O-CG 3.28Å; L1379-Q1383 WeakPolarHBondContact O-CG 3.26Å; L1379-Q1383 PolarHBondContact O-N 3.13Å
1380E77.6Confident67.3Low120.2 Ų120.275.2 Ų75.256%0.56238%0.383SS*.Hα-helixtrans-56.9-47.1175.3-113-179166.500111.2N1376 L1382 Q1383 I1384N1376-E1380 WeakPolarHBondContact O-CB 3.44Å; N1376-E1380 WeakPolarHBondContact O-CG 3.33Å; N1376-E1380 PolarHBondContact O-N 2.91Å; E1380-L1382 PolarHBondContact O-N 2.91Å; E1380-Q1383 PolarHBondContact O-N 2.95Å; E1380-Q1383 VanDerWaalsContact O-N 3.17Å; E1380-I1384 HydrophobicContact CB-CD1 4.45Å; E1380-I1384 HydrophobicContact CG-CD1 4.15Å; E1380-I1384 WeakPolarHBondContact O-CB 3.45Å; E1380-I1384 WeakPolarHBondContact O-CD1 3.4Å; E1380-I1384 VanDerWaalsContact O-CG1 3.29Å; E1380-I1384 WeakPolarHBondContact O-CG1 3.3Å; E1380-I1384 PolarHBondContact O-N 3.09Å; E1380-I1384 VanDerWaalsContact O-N 3.09Å
1381R73.2Confident65.3Low147.2 Ų147.275.2 Ų75.256%0.55539%0.389SS*.Hα-helixtrans-61.8-47.4177.5-87.5-136.6179.1178.5-1.3112.3Q1377 L1378 L1379 Q1383 I1384 D1385Q1377-R1381 WeakPolarHBondContact O-CB 3.43Å; Q1377-R1381 VanDerWaalsContact O-CG 3.25Å; Q1377-R1381 WeakPolarHBondContact O-CG 3.33Å; Q1377-R1381 PolarHBondContact O-N 3.31Å; L1378-R1381 PolarHBondContact O-N 3.05Å; L1379-R1381 VanDerWaalsContact C-N 3.28Å; L1379-R1381 PolarHBondContact O-N 3.12Å; R1381-Q1383 VanDerWaalsContact C-N 3.29Å; R1381-Q1383 PolarHBondContact O-N 3.02Å; R1381-I1384 PolarHBondContact O-N 3.4Å; R1381-D1385 IonicContact CZ-OD1 2.96Å; R1381-D1385 IonicContact CZ-OD2 3.96Å; R1381-D1385 IonicContact NE-OD1 3.12Å; R1381-D1385 IonicContact NE-OD2 2.69Å; R1381-D1385 PolarHBondContact NE-OD2 3.08Å; R1381-D1385 IonicContact NH2-OD1 3.7Å; R1381-D1385 IonicContact NH2-OD2 3.47Å; R1381-D1385 WeakPolarHBondContact O-CB 3.17Å; R1381-D1385 PolarHBondContact O-N 3.18Å; R1381-D1385 VanDerWaalsContact O-N 3.12Å
1382L67.7Low63.2Low37.8 Ų37.877.6 Ų77.620%0.19840%0.403CS..Hα-helixtrans-65.1-32178-71.1170.3000112.5L689 V697 F700 I706 I709 L1378 L1379 E1380 D1385 T1386L689-L1382 HydrophobicContact CD1-CD1 4.18Å; L689-L1382 HydrophobicContact CD1-CD2 3.83Å; L689-L1382 HydrophobicContact CD1-CG 3.9Å; L689-L1382 HydrophobicContact CD2-CD2 3.88Å; L689-L1382 HydrophobicContact CG-CD2 4.47Å; V697-L1382 HydrophobicContact CG1-CD2 4.49Å; V697-L1382 HydrophobicContact CG2-CD2 4.22Å; F700-L1382 HydrophobicContact CD2-CD1 4.34Å; F700-L1382 HydrophobicContact CD2-CD2 4.24Å; I706-L1382 HydrophobicContact CB-CD1 4.48Å; I706-L1382 HydrophobicContact CD1-CB 4.49Å; I706-L1382 HydrophobicContact CD1-CD1 4.11Å; I706-L1382 HydrophobicContact CD1-CD2 4.46Å; I706-L1382 HydrophobicContact CG1-CB 4.43Å; I706-L1382 HydrophobicContact CG1-CD1 3.92Å; I706-L1382 HydrophobicContact CG2-CD1 4.29Å; I709-L1382 HydrophobicContact CD1-CD1 4.45Å; L1378-L1382 HydrophobicContact CD2-CD1 3.47Å; L1378-L1382 HydrophobicContact CD2-CG 3.99Å; L1378-L1382 WeakPolarHBondContact O-CB 3.32Å; L1378-L1382 WeakPolarHBondContact O-CD1 3.17Å; L1378-L1382 VanDerWaalsContact O-CG 3.29Å; L1378-L1382 WeakPolarHBondContact O-CG 3.4Å; L1378-L1382 PolarHBondContact O-N 2.98Å; L1378-L1382 VanDerWaalsContact O-N 3.1Å; L1379-L1382 PolarHBondContact O-N 3.13Å; E1380-L1382 PolarHBondContact O-N 2.91Å; L1382-D1385 PolarHBondContact O-N 3.16Å; L1382-T1386 VanDerWaalsContact O-CB 3.27Å; L1382-T1386 WeakPolarHBondContact O-CB 3.3Å; L1382-T1386 WeakPolarHBondContact O-CG2 3.37Å; L1382-T1386 PolarHBondContact O-N 3.06Å; L1382-T1386 PolarHBondContact O-OG1 3.15Å
1383Q65.2Low61Low87.2 Ų87.283.1 Ų83.141%0.40742%0.421SS..Hα-helixtrans-71.4-43.3175-76.1-178.1700112.1L1379 E1380 R1381 D1385 T1386 Y1387L1379-Q1383 HydrophobicContact CD1-CG 4.32Å; L1379-Q1383 HydrophobicContact CG-CG 4.41Å; L1379-Q1383 VanDerWaalsContact O-CB 3.31Å; L1379-Q1383 WeakPolarHBondContact O-CB 3.35Å; L1379-Q1383 VanDerWaalsContact O-CG 3.28Å; L1379-Q1383 WeakPolarHBondContact O-CG 3.26Å; L1379-Q1383 PolarHBondContact O-N 3.13Å; E1380-Q1383 PolarHBondContact O-N 2.95Å; E1380-Q1383 VanDerWaalsContact O-N 3.17Å; R1381-Q1383 VanDerWaalsContact C-N 3.29Å; R1381-Q1383 PolarHBondContact O-N 3.02Å; Q1383-D1385 VanDerWaalsContact C-N 3.33Å; Q1383-D1385 PolarHBondContact O-N 3.19Å; Q1383-T1386 WeakPolarHBondContact CA-OG1 3.38Å; Q1383-T1386 CarbonylContact O-C 3.53Å; Q1383-T1386 WeakPolarHBondContact O-CA 3.43Å; Q1383-T1386 VanDerWaalsContact O-CB 3.31Å; Q1383-T1386 WeakPolarHBondContact O-CB 3.35Å; Q1383-T1386 PolarHBondContact O-N 3.24Å; Q1383-T1386 PolarHBondContact O-OG1 3.17Å; Q1383-Y1387 HydrophobicContact CB-CD2 4.36Å; Q1383-Y1387 HydrophobicContact CB-CE2 3.84Å; Q1383-Y1387 HydrophobicContact CG-CE2 4.36Å; Q1383-Y1387 WeakPolarHBondContact O-CD2 3.42Å; Q1383-Y1387 WeakPolarHBondContact O-CE2 3.47Å; Q1383-Y1387 PolarHBondContact O-N 2.9Å; Q1383-Y1387 VanDerWaalsContact O-N 3.08Å; Q1383-Y1387 PolarHBondContact OE1-OH 3.41Å
1384I56.4Low58.7Low89.8 Ų89.885.8 Ų85.846%0.46144%0.438SS..Hα-helixtrans-57.4-47.6176.8-69.5162.3000110.7E1380 R1381 T1386 Y1387 L1388E1380-I1384 HydrophobicContact CB-CD1 4.45Å; E1380-I1384 HydrophobicContact CG-CD1 4.15Å; E1380-I1384 WeakPolarHBondContact O-CB 3.45Å; E1380-I1384 WeakPolarHBondContact O-CD1 3.4Å; E1380-I1384 VanDerWaalsContact O-CG1 3.29Å; E1380-I1384 WeakPolarHBondContact O-CG1 3.3Å; E1380-I1384 PolarHBondContact O-N 3.09Å; E1380-I1384 VanDerWaalsContact O-N 3.09Å; R1381-I1384 PolarHBondContact O-N 3.4Å; I1384-T1386 VanDerWaalsContact C-N 3.32Å; I1384-T1386 PolarHBondContact O-N 2.88Å; I1384-Y1387 PolarHBondContact O-N 3.3Å; I1384-L1388 HydrophobicContact CG2-CD1 3.89Å; I1384-L1388 WeakPolarHBondContact O-CB 3.36Å; I1384-L1388 WeakPolarHBondContact O-CD1 3.22Å; I1384-L1388 WeakPolarHBondContact O-CG 3.32Å; I1384-L1388 PolarHBondContact O-N 2.84Å; I1384-L1388 VanDerWaalsContact O-N 3.08Å
1385D51.3Low56.4Low60.6 Ų60.688.1 Ų88.132%0.32446%0.457SS..Hα-helixtrans-68.6-26.8-179.8-67.6-24000112.8V697 R1381 L1382 Q1383 Y1387 L1388 S1389 I1412V697-D1385 HydrophobicContact CG1-CB 4.36Å; V697-D1385 HydrophobicContact CG2-CB 4.09Å; R1381-D1385 IonicContact CZ-OD1 2.96Å; R1381-D1385 IonicContact CZ-OD2 3.96Å; R1381-D1385 IonicContact NE-OD1 3.12Å; R1381-D1385 IonicContact NE-OD2 2.69Å; R1381-D1385 PolarHBondContact NE-OD2 3.08Å; R1381-D1385 IonicContact NH2-OD1 3.7Å; R1381-D1385 IonicContact NH2-OD2 3.47Å; R1381-D1385 WeakPolarHBondContact O-CB 3.17Å; R1381-D1385 PolarHBondContact O-N 3.18Å; R1381-D1385 VanDerWaalsContact O-N 3.12Å; L1382-D1385 PolarHBondContact O-N 3.16Å; Q1383-D1385 VanDerWaalsContact C-N 3.33Å; Q1383-D1385 PolarHBondContact O-N 3.19Å; D1385-Y1387 VanDerWaalsContact C-N 3.34Å; D1385-L1388 PolarHBondContact O-N 2.84Å; D1385-S1389 VanDerWaalsContact O-CB 3.31Å; D1385-S1389 WeakPolarHBondContact O-CB 3.3Å; D1385-S1389 PolarHBondContact O-N 3.22Å; D1385-S1389 VanDerWaalsContact O-N 3.12Å; D1385-S1389 PolarHBondContact O-OG 3.34Å; D1385-I1412 HydrophobicContact CB-CD1 4.42Å
1386T49.5Very low54Low65.2 Ų65.292.6 Ų92.640%0.448%0.478SS..Hα-helixtrans-74.2-34.6175.9-18.90000112.5L1382 Q1383 I1384 S1389 S1390L1382-T1386 VanDerWaalsContact O-CB 3.27Å; L1382-T1386 WeakPolarHBondContact O-CB 3.3Å; L1382-T1386 WeakPolarHBondContact O-CG2 3.37Å; L1382-T1386 PolarHBondContact O-N 3.06Å; L1382-T1386 PolarHBondContact O-OG1 3.15Å; Q1383-T1386 WeakPolarHBondContact CA-OG1 3.38Å; Q1383-T1386 CarbonylContact O-C 3.53Å; Q1383-T1386 WeakPolarHBondContact O-CA 3.43Å; Q1383-T1386 VanDerWaalsContact O-CB 3.31Å; Q1383-T1386 WeakPolarHBondContact O-CB 3.35Å; Q1383-T1386 PolarHBondContact O-N 3.24Å; Q1383-T1386 PolarHBondContact O-OG1 3.17Å; I1384-T1386 VanDerWaalsContact C-N 3.32Å; I1384-T1386 PolarHBondContact O-N 2.88Å; T1386-S1389 WeakPolarHBondContact CA-OG 3.45Å; T1386-S1389 WeakPolarHBondContact O-CB 3.43Å; T1386-S1389 PolarHBondContact O-N 3.08Å; T1386-S1389 PolarHBondContact O-OG 3.41Å; T1386-S1390 WeakPolarHBondContact O-CB 3.39Å; T1386-S1390 PolarHBondContact O-N 2.85Å; T1386-S1390 VanDerWaalsContact O-N 3.13Å; T1386-S1390 PolarHBondContact O-OG 3.06Å
1387Y46.4Very low51.5Low158.6 Ų158.693.9 Ų93.962%0.62249%0.492SS*.Hα-helixtrans-69.9-40.7174.3-68.3-63000112.2Q1383 I1384 D1385 S1389 S1390 T1391Q1383-Y1387 HydrophobicContact CB-CD2 4.36Å; Q1383-Y1387 HydrophobicContact CB-CE2 3.84Å; Q1383-Y1387 HydrophobicContact CG-CE2 4.36Å; Q1383-Y1387 WeakPolarHBondContact O-CD2 3.42Å; Q1383-Y1387 WeakPolarHBondContact O-CE2 3.47Å; Q1383-Y1387 PolarHBondContact O-N 2.9Å; Q1383-Y1387 VanDerWaalsContact O-N 3.08Å; Q1383-Y1387 PolarHBondContact OE1-OH 3.41Å; I1384-Y1387 PolarHBondContact O-N 3.3Å; D1385-Y1387 VanDerWaalsContact C-N 3.34Å; Y1387-S1389 VanDerWaalsContact C-N 3.28Å; Y1387-S1389 PolarHBondContact O-N 3.03Å; Y1387-S1389 VanDerWaalsContact O-N 3.13Å; Y1387-S1390 PolarHBondContact O-N 2.97Å; Y1387-S1390 PolarHBondContact O-OG 3.19Å; Y1387-S1390 VanDerWaalsContact O-OG 3.08Å; Y1387-T1391 PolarHBondContact O-N 2.97Å; Y1387-T1391 PolarHBondContact O-OG1 3.33Å
1388L44.8Very low49.1Very low107 Ų10795.3 Ų95.356%0.5651%0.507SS*.Hα-helixtrans-63-32.9174.4-78.4146.2000112.5I1384 D1385 S1390 N1392I1384-L1388 HydrophobicContact CG2-CD1 3.89Å; I1384-L1388 WeakPolarHBondContact O-CB 3.36Å; I1384-L1388 WeakPolarHBondContact O-CD1 3.22Å; I1384-L1388 WeakPolarHBondContact O-CG 3.32Å; I1384-L1388 PolarHBondContact O-N 2.84Å; I1384-L1388 VanDerWaalsContact O-N 3.08Å; D1385-L1388 PolarHBondContact O-N 2.84Å; L1388-S1390 VanDerWaalsContact C-N 3.34Å; L1388-S1390 PolarHBondContact O-N 3.47Å; L1388-N1392 WeakPolarHBondContact O-CB 3.35Å; L1388-N1392 PolarHBondContact O-N 3.33Å
1389S42.8Very low46.8Very low53.6 Ų53.698 Ų9838%0.37553%0.526SS..Hα-helixtrans-74.8-21.9177.3-45.30000113.8D1385 T1386 Y1387 T1391 N1392 Y1393D1385-S1389 VanDerWaalsContact O-CB 3.31Å; D1385-S1389 WeakPolarHBondContact O-CB 3.3Å; D1385-S1389 PolarHBondContact O-N 3.22Å; D1385-S1389 VanDerWaalsContact O-N 3.12Å; D1385-S1389 PolarHBondContact O-OG 3.34Å; T1386-S1389 WeakPolarHBondContact CA-OG 3.45Å; T1386-S1389 WeakPolarHBondContact O-CB 3.43Å; T1386-S1389 PolarHBondContact O-N 3.08Å; T1386-S1389 PolarHBondContact O-OG 3.41Å; Y1387-S1389 VanDerWaalsContact C-N 3.28Å; Y1387-S1389 PolarHBondContact O-N 3.03Å; Y1387-S1389 VanDerWaalsContact O-N 3.13Å; S1389-T1391 VanDerWaalsContact C-N 3.25Å; S1389-T1391 PolarHBondContact O-N 2.95Å; S1389-N1392 PolarHBondContact O-N 2.93Å; S1389-Y1393 VanDerWaalsContact CB-CE2 3.45Å; S1389-Y1393 WeakPolarHBondContact O-CB 3.32Å; S1389-Y1393 WeakPolarHBondContact O-CD2 3.36Å; S1389-Y1393 WeakPolarHBondContact O-CE2 3.47Å; S1389-Y1393 PolarHBondContact O-N 2.79Å
1390S40.5Very low44.5Very low79.4 Ų79.4101.6 Ų101.656%0.55556%0.555SS**Hα-helixtrans-88.6-19.1-174.663.20000114.7T1386 Y1387 L1388T1386-S1390 WeakPolarHBondContact O-CB 3.39Å; T1386-S1390 PolarHBondContact O-N 2.85Å; T1386-S1390 VanDerWaalsContact O-N 3.13Å; T1386-S1390 PolarHBondContact O-OG 3.06Å; Y1387-S1390 PolarHBondContact O-N 2.97Å; Y1387-S1390 PolarHBondContact O-OG 3.19Å; Y1387-S1390 VanDerWaalsContact O-OG 3.08Å; L1388-S1390 VanDerWaalsContact C-N 3.34Å; L1388-S1390 PolarHBondContact O-N 3.47Å
1391T37Very low42.2Very low93.8 Ų93.8101.2 Ų101.258%0.57557%0.565SS**Hα-helixtrans-102-19.1-171.834.40000114.8Y1387 S1389 S1395Y1387-T1391 PolarHBondContact O-N 2.97Å; Y1387-T1391 PolarHBondContact O-OG1 3.33Å; S1389-T1391 VanDerWaalsContact C-N 3.25Å; S1389-T1391 PolarHBondContact O-N 2.95Å; T1391-S1395 PolarHBondContact O-OG 3.35Å
1392N34.5Very low40.2Very low97.2 Ų97.298.4 Ų98.452%0.5257%0.568SS.*SBendtrans-107.2-1.4-172.7-71.9-32.1000114.9L1388 S1389 T1394 S1395 L1396L1388-N1392 WeakPolarHBondContact O-CB 3.35Å; L1388-N1392 PolarHBondContact O-N 3.33Å; S1389-N1392 PolarHBondContact O-N 2.93Å; N1392-T1394 VanDerWaalsContact C-N 3.3Å; N1392-T1394 PolarHBondContact O-N 3.48Å; N1392-S1395 PolarHBondContact O-OG 2.9Å; N1392-L1396 HydrophobicContact CB-CD1 4.22Å; N1392-L1396 WeakPolarHBondContact O-CD1 3.41Å; N1392-L1396 PolarHBondContact O-N 2.82Å
1393Y35.6Very low38.5Very low164.8 Ų164.8102 Ų10265%0.64660%0.597SS**SBendtrans-83.95.2-179.9-66.7-63.5000115.5S1389 S1395S1389-Y1393 VanDerWaalsContact CB-CE2 3.45Å; S1389-Y1393 WeakPolarHBondContact O-CB 3.32Å; S1389-Y1393 WeakPolarHBondContact O-CD2 3.36Å; S1389-Y1393 WeakPolarHBondContact O-CE2 3.47Å; S1389-Y1393 PolarHBondContact O-N 2.79Å; Y1393-S1395 VanDerWaalsContact C-N 3.32Å
1394T33.4Very low37.1Very low126.2 Ų126.2102.4 Ų102.477%0.77461%0.609SS**SBendtrans-93.326.3167.530.20000112.6N1392N1392-T1394 VanDerWaalsContact C-N 3.3Å; N1392-T1394 PolarHBondContact O-N 3.48Å
1395S30.8Very low36.2Very low86.2 Ų86.2103.5 Ų103.560%0.60362%0.615SS**SBendtrans-115.22.1-176.5660000115.5T1391 N1392 Y1393 S1397T1391-S1395 PolarHBondContact O-OG 3.35Å; N1392-S1395 PolarHBondContact O-OG 2.9Å; Y1393-S1395 VanDerWaalsContact C-N 3.32Å; S1395-S1397 VanDerWaalsContact C-N 3.31Å; S1395-S1397 PolarHBondContact O-N 3.34Å
1396L29.4Very low35.5Very low117.2 Ų117.2104.5 Ų104.561%0.61463%0.627SS**THydrogen-bonded Turntrans-9450.6179.8-131.776.5000115.6N1392 T1398N1392-L1396 HydrophobicContact CB-CD1 4.22Å; N1392-L1396 WeakPolarHBondContact O-CD1 3.41Å; N1392-L1396 PolarHBondContact O-N 2.82Å; L1396-T1398 VanDerWaalsContact C-N 3.26Å; L1396-T1398 PolarHBondContact O-N 3.16Å
1397S28.6Very low35Very low98 Ų98103.7 Ų103.769%0.68563%0.631SS**THydrogen-bonded Turntrans-70.132.7166.855.70000115.7S1395S1395-S1397 VanDerWaalsContact C-N 3.31Å; S1395-S1397 PolarHBondContact O-N 3.34Å
1398T29.6Very low34.9Very low121 Ų121100.4 Ų100.474%0.74262%0.623SS**SBendtrans-170.659.1174.746.30000118L1396L1396-T1398 VanDerWaalsContact C-N 3.26Å; L1396-T1398 PolarHBondContact O-N 3.16Å
1399T30.8Very low34.9Very low100 Ų10099.6 Ų99.661%0.61362%0.619SS**  trans-140.8112.2167.151.70000115.5S1401T1399-S1401 VanDerWaalsContact C-N 3.28Å; T1399-S1401 PolarHBondContact O-N 3.31Å
1400S30.1Very low35.1Very low123.2 Ų123.2103.4 Ų103.486%0.86264%0.635SS**SBendtrans-41.475.5169.4-9.30000118.7
1401S29Very low35.5Very low111.6 Ų111.6106.1 Ų106.178%0.7864%0.637SS**  trans118.960.7172.264.10000118.4T1399T1399-S1401 VanDerWaalsContact C-N 3.28Å; T1399-S1401 PolarHBondContact O-N 3.31Å
1402S31.5Very low36Very low88.8 Ų88.8104.6 Ų104.662%0.62163%0.625SS**  trans-147.456.9167.262.90000113.1S1404 L1405S1402-S1404 VanDerWaalsContact C-N 3.28Å; S1402-S1404 PolarHBondContact O-N 3.07Å; S1402-L1405 PolarHBondContact O-N 2.92Å
1403S31.5Very low36.8Very low112.6 Ų112.6101.5 Ų101.579%0.78762%0.615SS**THydrogen-bonded Turntrans-79.754.2-173.155.40000114.6S1406S1403-S1406 PolarHBondContact O-OG 3.14Å
1404S35.8Very low37.7Very low94.8 Ų94.896.7 Ų96.766%0.66361%0.605SS**THydrogen-bonded Turntrans-130.9-29.3173.452.80000115.3S1402S1402-S1404 VanDerWaalsContact C-N 3.28Å; S1402-S1404 PolarHBondContact O-N 3.07Å
1405L37.3Very low38.8Very low113.8 Ų113.895.2 Ų95.260%0.59659%0.591SS**SBendtrans-98-19.2-166.7-80.8158.1000115.7S1402 G1407 I1408 I1409S1402-L1405 PolarHBondContact O-N 2.92Å; L1405-G1407 VanDerWaalsContact C-N 3.27Å; L1405-G1407 PolarHBondContact O-N 3.21Å; L1405-I1408 PolarHBondContact O-N 3.18Å; L1405-I1409 WeakPolarHBondContact O-CG1 3.25Å; L1405-I1409 PolarHBondContact O-N 3.23Å
1406S36.8Very low40.6Very low82.2 Ų82.295.9 Ų95.958%0.57559%0.588SS**Hα-helixtrans-68.5-32.4-177.756.50000113.8S1403 I1408 I1409 D1410S1403-S1406 PolarHBondContact O-OG 3.14Å; S1406-I1408 VanDerWaalsContact C-N 3.3Å; S1406-I1408 PolarHBondContact O-N 2.99Å; S1406-I1408 VanDerWaalsContact O-N 3.13Å; S1406-I1409 WeakPolarHBondContact O-CB 3.29Å; S1406-I1409 PolarHBondContact O-N 3.16Å; S1406-I1409 VanDerWaalsContact O-N 3.13Å; S1406-D1410 PolarHBondContact O-N 2.89Å; S1406-D1410 VanDerWaalsContact O-N 3.13Å
1407G39.6Very low42.6Very low47.4 Ų47.490.6 Ų90.649%0.48956%0.561SS.*Hα-helixtrans-69.8-6.8-173.900000116.1L1405 K1411L1405-G1407 VanDerWaalsContact C-N 3.27Å; L1405-G1407 PolarHBondContact O-N 3.21Å; G1407-K1411 WeakPolarHBondContact O-CB 3.32Å; G1407-K1411 WeakPolarHBondContact O-CG 3.33Å; G1407-K1411 PolarHBondContact O-N 3.02Å
1408I43.9Very low44.9Very low88.8 Ų88.887.1 Ų87.146%0.45553%0.534SS..Hα-helixtrans-95.5-35.9176.8-62.9175.7000111E646 L650 I695 L1405 S1406 D1410 K1411 I1412E646-I1408 WeakPolarHBondContact OE1-CD1 3.46Å; L650-I1408 HydrophobicContact CD1-CG1 4.08Å; L650-I1408 HydrophobicContact CD1-CG2 4.48Å; L650-I1408 HydrophobicContact CD2-CG2 4.29Å; I695-I1408 HydrophobicContact CG1-CG2 4.35Å; L1405-I1408 PolarHBondContact O-N 3.18Å; S1406-I1408 VanDerWaalsContact C-N 3.3Å; S1406-I1408 PolarHBondContact O-N 2.99Å; S1406-I1408 VanDerWaalsContact O-N 3.13Å; I1408-D1410 PolarHBondContact O-N 3.02Å; I1408-K1411 PolarHBondContact O-N 3.15Å; I1408-I1412 HydrophobicContact CG2-CD1 3.7Å; I1408-I1412 WeakPolarHBondContact O-CG1 3.36Å; I1408-I1412 PolarHBondContact O-N 2.89Å; I1408-I1412 VanDerWaalsContact O-N 3.09Å
1409I45.1Very low47.4Very low90.8 Ų90.885.3 Ų85.347%0.46652%0.52SS..G310 helixtrans-69.4-37.3-176.8-64172000111.4L1405 S1406 K1411 I1412 G1413 I1415L1405-I1409 WeakPolarHBondContact O-CG1 3.25Å; L1405-I1409 PolarHBondContact O-N 3.23Å; S1406-I1409 WeakPolarHBondContact O-CB 3.29Å; S1406-I1409 PolarHBondContact O-N 3.16Å; S1406-I1409 VanDerWaalsContact O-N 3.13Å; I1409-K1411 VanDerWaalsContact C-N 3.31Å; I1409-K1411 PolarHBondContact O-N 3.12Å; I1409-I1412 PolarHBondContact O-N 3.08Å; I1409-G1413 PolarHBondContact O-N 2.81Å; I1409-I1415 HydrophobicContact CB-CD1 4.39Å; I1409-I1415 HydrophobicContact CG1-CD1 4.27Å; I1409-I1415 HydrophobicContact CG2-CD1 3.82Å; I1409-I1415 HydrophobicContact CG2-CG1 4.2Å
1410D46Very low49.9Very low133.4 Ų133.485.3 Ų85.371%0.71351%0.509SS*.G310 helixtrans-64-13.2178.7-68.7-30.3000113.8S1406 I1408 G1413S1406-D1410 PolarHBondContact O-N 2.89Å; S1406-D1410 VanDerWaalsContact O-N 3.13Å; I1408-D1410 PolarHBondContact O-N 3.02Å; D1410-G1413 PolarHBondContact O-N 3.16Å
1411K48.7Very low52.5Low137 Ų13779.4 Ų79.460%0.59647%0.468SS*.G310 helixtrans-91.2-11.6-179.4-77.4-179170-145.90115.1L650 D652 P657 G1407 I1408 I1409 G1413 Q1463L650-K1411 HydrophobicContact CD2-CB 4.45Å; L650-K1411 PolarHBondContact O-NZ 3.02Å; L650-K1411 VanDerWaalsContact O-NZ 3.13Å; D652-K1411 IonicContact OD1-NZ 3.85Å; D652-K1411 IonicContact OD2-NZ 3.29Å; D652-K1411 PolarHBondContact OD2-NZ 3.35Å; P657-K1411 VanDerWaalsContact CG-O 3.29Å; P657-K1411 WeakPolarHBondContact CG-O 3.47Å; G1407-K1411 WeakPolarHBondContact O-CB 3.32Å; G1407-K1411 WeakPolarHBondContact O-CG 3.33Å; G1407-K1411 PolarHBondContact O-N 3.02Å; I1408-K1411 PolarHBondContact O-N 3.15Å; I1409-K1411 VanDerWaalsContact C-N 3.31Å; I1409-K1411 PolarHBondContact O-N 3.12Å; K1411-G1413 PolarHBondContact O-N 3.35Å; K1411-Q1463 PolarHBondContact O-OE1 3.25Å
1412I48Very low55.2Low62.6 Ų62.678.2 Ų78.232%0.32145%0.448SS..  trans-8744.1178.1-55.3175.7000110.6L650 I695 L698 V699 R702 D1385 I1408 I1409 N1416L650-I1412 HydrophobicContact CD2-CD1 4.29Å; L650-I1412 HydrophobicContact CD2-CG1 4.06Å; I695-I1412 HydrophobicContact CB-CD1 4.25Å; I695-I1412 HydrophobicContact CG1-CD1 4.07Å; I695-I1412 HydrophobicContact CG2-CD1 3.94Å; L698-I1412 HydrophobicContact CD2-CB 4.23Å; L698-I1412 HydrophobicContact CD2-CG2 3.83Å; V699-I1412 HydrophobicContact CG2-CG2 3.54Å; R702-I1412 PolarHBondContact NH1-O 2.9Å; R702-I1412 VanDerWaalsContact NH1-O 3.08Å; D1385-I1412 HydrophobicContact CB-CD1 4.42Å; I1408-I1412 HydrophobicContact CG2-CD1 3.7Å; I1408-I1412 WeakPolarHBondContact O-CG1 3.36Å; I1408-I1412 PolarHBondContact O-N 2.89Å; I1408-I1412 VanDerWaalsContact O-N 3.09Å; I1409-I1412 PolarHBondContact O-N 3.08Å; I1412-N1416 PolarHBondContact O-ND2 3.24Å
1413G50.8Low57.9Low31.2 Ų31.278.7 Ų78.732%0.32244%0.444SS..  trans53.2-171.1-17900000116.7I1409 D1410 K1411 I1415 A1417I1409-G1413 PolarHBondContact O-N 2.81Å; D1410-G1413 PolarHBondContact O-N 3.16Å; K1411-G1413 PolarHBondContact O-N 3.35Å; G1413-I1415 VanDerWaalsContact C-N 3.29Å; G1413-I1415 PolarHBondContact O-N 2.92Å; G1413-I1415 VanDerWaalsContact O-N 3.13Å; G1413-A1417 PolarHBondContact O-N 3.48Å
1414P54.3Low60.6Low64.6 Ų64.673.7 Ų73.742%0.41941%0.408SS..  trans-71.52-165.925-33.1000113.8N1416 A1417 L1418 E1469P1414-N1416 VanDerWaalsContact C-N 3.26Å; P1414-N1416 PolarHBondContact O-N 2.95Å; P1414-N1416 VanDerWaalsContact O-N 3.11Å; P1414-A1417 HydrophobicContact CG-CB 4.42Å; P1414-A1417 VanDerWaalsContact O-CB 3.3Å; P1414-A1417 WeakPolarHBondContact O-CB 3.41Å; P1414-A1417 PolarHBondContact O-N 3.33Å; P1414-L1418 PolarHBondContact O-N 3.01Å; P1414-E1469 VanDerWaalsContact CA-OE1 3.23Å; P1414-E1469 WeakPolarHBondContact CA-OE1 3.44Å; P1414-E1469 VanDerWaalsContact CB-OE1 3.25Å; P1414-E1469 WeakPolarHBondContact CB-OE1 3.22Å; P1414-E1469 VanDerWaalsContact O-OE1 3.08Å
1415I58Low63.2Low94.8 Ų94.869.8 Ų69.849%0.48638%0.38SS..Hα-helixtrans-54.2-34.6-177.3-61.9174.5000112L698 I1409 G1413 A1417 N1419L698-I1415 HydrophobicContact CD1-CD1 3.74Å; L698-I1415 HydrophobicContact CD1-CG1 4Å; L698-I1415 HydrophobicContact CD2-CD1 3.88Å; L698-I1415 HydrophobicContact CD2-CG1 3.89Å; L698-I1415 HydrophobicContact CG-CD1 4.49Å; I1409-I1415 HydrophobicContact CB-CD1 4.39Å; I1409-I1415 HydrophobicContact CG1-CD1 4.27Å; I1409-I1415 HydrophobicContact CG2-CD1 3.82Å; I1409-I1415 HydrophobicContact CG2-CG1 4.2Å; G1413-I1415 VanDerWaalsContact C-N 3.29Å; G1413-I1415 PolarHBondContact O-N 2.92Å; G1413-I1415 VanDerWaalsContact O-N 3.13Å; I1415-A1417 VanDerWaalsContact C-N 3.31Å; I1415-A1417 PolarHBondContact O-N 3.27Å; I1415-N1419 PolarHBondContact O-N 3.26Å; I1415-N1419 PolarHBondContact O-ND2 3.15Å
1416N66.7Low65.6Low100.8 Ų100.869.6 Ų69.654%0.53938%0.377SS..Hα-helixtrans-71.9-21.5178-74.8-31.3000114.1I1412 P1414 L1418 N1419 R1420I1412-N1416 PolarHBondContact O-ND2 3.24Å; P1414-N1416 VanDerWaalsContact C-N 3.26Å; P1414-N1416 PolarHBondContact O-N 2.95Å; P1414-N1416 VanDerWaalsContact O-N 3.11Å; N1416-L1418 PolarHBondContact O-N 3.28Å; N1416-N1419 PolarHBondContact O-N 3.09Å; N1416-R1420 WeakPolarHBondContact O-CB 3.32Å; N1416-R1420 WeakPolarHBondContact O-CD 3.32Å; N1416-R1420 VanDerWaalsContact O-CG 3.29Å; N1416-R1420 WeakPolarHBondContact O-CG 3.38Å; N1416-R1420 PolarHBondContact O-N 3.11Å
1417A71.4Confident68.1Low6 Ų668.4 Ų68.45%0.0536%0.363CS..Hα-helixtrans-64.8-50.1179.300000112G1413 P1414 I1415 N1419 R1420 I1421 T1464G1413-A1417 PolarHBondContact O-N 3.48Å; P1414-A1417 HydrophobicContact CG-CB 4.42Å; P1414-A1417 VanDerWaalsContact O-CB 3.3Å; P1414-A1417 WeakPolarHBondContact O-CB 3.41Å; P1414-A1417 PolarHBondContact O-N 3.33Å; I1415-A1417 VanDerWaalsContact C-N 3.31Å; I1415-A1417 PolarHBondContact O-N 3.27Å; A1417-N1419 VanDerWaalsContact C-N 3.29Å; A1417-N1419 PolarHBondContact O-N 3.06Å; A1417-R1420 WeakPolarHBondContact O-CB 3.39Å; A1417-R1420 PolarHBondContact O-N 3.1Å; A1417-R1420 VanDerWaalsContact O-N 3.12Å; A1417-I1421 VanDerWaalsContact O-CG1 3.28Å; A1417-I1421 WeakPolarHBondContact O-CG1 3.25Å; A1417-I1421 PolarHBondContact O-N 2.94Å; A1417-T1464 WeakPolarHBondContact CB-O 3.26Å
1418L78.3Confident70.4Confident23.8 Ų23.866.2 Ų66.213%0.12534%0.34CS..Hα-helixtrans-56.5-41.9178.2-177.458.5000112.2Y701 P1414 N1416 R1420 I1421 K1422 E1469Y701-L1418 HydrophobicContact CE1-CD2 4.23Å; P1414-L1418 PolarHBondContact O-N 3.01Å; N1416-L1418 PolarHBondContact O-N 3.28Å; L1418-R1420 PolarHBondContact O-N 3.22Å; L1418-I1421 PolarHBondContact O-N 2.86Å; L1418-K1422 HydrophobicContact CD1-CD 4.46Å; L1418-K1422 HydrophobicContact CD1-CG 4.48Å; L1418-K1422 HydrophobicContact CG-CD 4.33Å; L1418-K1422 WeakPolarHBondContact O-CB 3.36Å; L1418-K1422 VanDerWaalsContact O-CG 3.28Å; L1418-K1422 WeakPolarHBondContact O-CG 3.39Å; L1418-K1422 PolarHBondContact O-N 3.09Å; L1418-E1469 HydrophobicContact CB-CG 4.28Å; L1418-E1469 HydrophobicContact CD1-CB 4.27Å; L1418-E1469 HydrophobicContact CD1-CG 4.42Å
1419N80.7Confident72.6Confident83 Ų8367 Ų6744%0.44434%0.337SS..Hα-helixtrans-66.9-40.2177.8-71.6-21.3000112.1I1415 N1416 A1417 I1421 K1422 L1423I1415-N1419 PolarHBondContact O-N 3.26Å; I1415-N1419 PolarHBondContact O-ND2 3.15Å; N1416-N1419 PolarHBondContact O-N 3.09Å; A1417-N1419 VanDerWaalsContact C-N 3.29Å; A1417-N1419 PolarHBondContact O-N 3.06Å; N1419-I1421 PolarHBondContact O-N 3.45Å; N1419-K1422 PolarHBondContact O-N 3Å; N1419-L1423 WeakPolarHBondContact O-CG 3.39Å; N1419-L1423 PolarHBondContact O-N 2.99Å
1420R83.5Confident74.6Confident100.2 Ų100.266.1 Ų66.138%0.37833%0.333SS..Hα-helixtrans-65.6-38.8175.3-71.3170.780-160.9-2.3112.4N1416 A1417 L1418 L1423 I1424 L1457 E1460N1416-R1420 WeakPolarHBondContact O-CB 3.32Å; N1416-R1420 WeakPolarHBondContact O-CD 3.32Å; N1416-R1420 VanDerWaalsContact O-CG 3.29Å; N1416-R1420 WeakPolarHBondContact O-CG 3.38Å; N1416-R1420 PolarHBondContact O-N 3.11Å; A1417-R1420 WeakPolarHBondContact O-CB 3.39Å; A1417-R1420 PolarHBondContact O-N 3.1Å; A1417-R1420 VanDerWaalsContact O-N 3.12Å; L1418-R1420 PolarHBondContact O-N 3.22Å; R1420-L1423 PolarHBondContact O-N 3.14Å; R1420-I1424 WeakPolarHBondContact O-CG1 3.35Å; R1420-I1424 PolarHBondContact O-N 3.04Å; R1420-I1424 VanDerWaalsContact O-N 3.14Å; R1420-L1457 HydrophobicContact CB-CD1 3.56Å; R1420-L1457 VanDerWaalsContact CB-CD1 3.47Å; R1420-L1457 HydrophobicContact CG-CD1 4.37Å; R1420-E1460 IonicContact CZ-OE1 3Å; R1420-E1460 VanDerWaalsContact CZ-OE1 3.27Å; R1420-E1460 IonicContact CZ-OE2 3.03Å; R1420-E1460 IonicContact NH1-OE1 3.3Å; R1420-E1460 PolarHBondContact NH1-OE1 3.12Å; R1420-E1460 IonicContact NH1-OE2 3.79Å; R1420-E1460 PolarHBondContact NH1-OE2 3.11Å; R1420-E1460 IonicContact NH2-OE1 3.21Å; R1420-E1460 PolarHBondContact NH2-OE1 3.06Å; R1420-E1460 IonicContact NH2-OE2 3.24Å; R1420-E1460 PolarHBondContact NH2-OE2 3.11Å
1421I85.3Confident76.6Confident0 Ų060.5 Ų60.50%030%0.303CS..Hα-helixtrans-67.8-42.5174.7-56.2159.7000110.4A1417 L1418 N1419 L1423 I1424 V1425 L1457 I1465 E1469 S1473 L1475A1417-I1421 VanDerWaalsContact O-CG1 3.28Å; A1417-I1421 WeakPolarHBondContact O-CG1 3.25Å; A1417-I1421 PolarHBondContact O-N 2.94Å; L1418-I1421 PolarHBondContact O-N 2.86Å; N1419-I1421 PolarHBondContact O-N 3.45Å; I1421-L1423 VanDerWaalsContact C-N 3.31Å; I1421-L1423 PolarHBondContact O-N 2.91Å; I1421-I1424 WeakPolarHBondContact O-CA 3.35Å; I1421-I1424 WeakPolarHBondContact O-CB 3.24Å; I1421-I1424 PolarHBondContact O-N 3.02Å; I1421-I1424 VanDerWaalsContact O-N 3.1Å; I1421-V1425 HydrophobicContact CG2-CG2 4.43Å; I1421-V1425 WeakPolarHBondContact O-CB 3.47Å; I1421-V1425 WeakPolarHBondContact O-CG2 3.37Å; I1421-V1425 PolarHBondContact O-N 3.16Å; I1421-L1457 HydrophobicContact CD1-CD2 4.39Å; I1421-L1457 HydrophobicContact CG1-CD1 4.15Å; I1421-L1457 HydrophobicContact CG1-CD2 4.11Å; I1421-I1465 HydrophobicContact CD1-CB 4.41Å; I1421-I1465 HydrophobicContact CD1-CD1 3.96Å; I1421-I1465 HydrophobicContact CD1-CG1 3.99Å; I1421-I1465 HydrophobicContact CD1-CG2 3.74Å; I1421-I1465 HydrophobicContact CG1-CD1 4.36Å; I1421-E1469 HydrophobicContact CD1-CB 4.48Å; I1421-S1473 VanDerWaalsContact CG2-CB 3.49Å; I1421-S1473 WeakPolarHBondContact CG2-OG 3.31Å; I1421-L1475 HydrophobicContact CG2-CB 4.03Å; I1421-L1475 HydrophobicContact CG2-CD2 4.03Å; I1421-L1475 HydrophobicContact CG2-CG 4.41Å
1422K86.2Confident78.3Confident86 Ų8655.9 Ų55.937%0.37428%0.283SS..Hα-helixtrans-58.9-40.2174.3-76.1175.9177.7179.80112.3L1418 N1419 I1424 V1425 M1426L1418-K1422 HydrophobicContact CD1-CD 4.46Å; L1418-K1422 HydrophobicContact CD1-CG 4.48Å; L1418-K1422 HydrophobicContact CG-CD 4.33Å; L1418-K1422 WeakPolarHBondContact O-CB 3.36Å; L1418-K1422 VanDerWaalsContact O-CG 3.28Å; L1418-K1422 WeakPolarHBondContact O-CG 3.39Å; L1418-K1422 PolarHBondContact O-N 3.09Å; N1419-K1422 PolarHBondContact O-N 3Å; K1422-I1424 VanDerWaalsContact C-N 3.33Å; K1422-I1424 PolarHBondContact O-N 3.19Å; K1422-V1425 WeakPolarHBondContact O-CB 3.38Å; K1422-V1425 PolarHBondContact O-N 3.02Å; K1422-M1426 WeakPolarHBondContact O-CG 3.48Å; K1422-M1426 PolarHBondContact O-N 3.06Å
1423L87.9Confident80Confident99 Ų9959 Ų5952%0.51830%0.295SS..Hα-helixtrans-64.4-35.2173.4-73169.6000113N1419 R1420 I1421 Q1427N1419-L1423 WeakPolarHBondContact O-CG 3.39Å; N1419-L1423 PolarHBondContact O-N 2.99Å; R1420-L1423 PolarHBondContact O-N 3.14Å; I1421-L1423 VanDerWaalsContact C-N 3.31Å; I1421-L1423 PolarHBondContact O-N 2.91Å; L1423-Q1427 WeakPolarHBondContact O-CB 3.4Å; L1423-Q1427 VanDerWaalsContact O-CG 3.31Å; L1423-Q1427 WeakPolarHBondContact O-CG 3.42Å; L1423-Q1427 PolarHBondContact O-N 3.05Å; L1423-Q1427 VanDerWaalsContact O-N 3.12Å; L1423-Q1427 PolarHBondContact O-NE2 3.29Å
1424I88.5Confident81.6Confident7.2 Ų7.261.1 Ų61.14%0.03730%0.297CS..Hα-helixtrans-67.3-44.7172.8-72.5166.4000110.5R1420 I1421 K1422 M1426 Q1427 I1428 V1450 K1453 L1454 L1457R1420-I1424 WeakPolarHBondContact O-CG1 3.35Å; R1420-I1424 PolarHBondContact O-N 3.04Å; R1420-I1424 VanDerWaalsContact O-N 3.14Å; I1421-I1424 WeakPolarHBondContact O-CA 3.35Å; I1421-I1424 WeakPolarHBondContact O-CB 3.24Å; I1421-I1424 PolarHBondContact O-N 3.02Å; I1421-I1424 VanDerWaalsContact O-N 3.1Å; K1422-I1424 VanDerWaalsContact C-N 3.33Å; K1422-I1424 PolarHBondContact O-N 3.19Å; I1424-M1426 VanDerWaalsContact C-N 3.34Å; I1424-M1426 PolarHBondContact O-N 3.23Å; I1424-Q1427 WeakPolarHBondContact O-CB 3.48Å; I1424-Q1427 PolarHBondContact O-N 3.33Å; I1424-Q1427 VanDerWaalsContact O-N 3.17Å; I1424-I1428 HydrophobicContact CG2-CD1 4.23Å; I1424-I1428 WeakPolarHBondContact O-CG1 3.32Å; I1424-I1428 PolarHBondContact O-N 3.16Å; I1424-I1428 VanDerWaalsContact O-N 3.1Å; I1424-V1450 HydrophobicContact CB-CG1 4.5Å; I1424-V1450 HydrophobicContact CG2-CG1 3.83Å; I1424-K1453 HydrophobicContact CD1-CB 4.27Å; I1424-K1453 HydrophobicContact CG1-CB 4.43Å; I1424-L1454 HydrophobicContact CD1-CB 4.28Å; I1424-L1454 HydrophobicContact CD1-CD1 4.27Å; I1424-L1454 HydrophobicContact CG2-CB 4.33Å; I1424-L1454 HydrophobicContact CG2-CD1 4.43Å; I1424-L1457 HydrophobicContact CD1-CD1 4.15Å
1425V89.3Confident82.8Confident13.8 Ų13.858.1 Ų58.18%0.08428%0.277CS..Hα-helixtrans-58.9-44.5176.6161.40000111.6I1421 K1422 I1428 W1429 L1475 V1478I1421-V1425 HydrophobicContact CG2-CG2 4.43Å; I1421-V1425 WeakPolarHBondContact O-CB 3.47Å; I1421-V1425 WeakPolarHBondContact O-CG2 3.37Å; I1421-V1425 PolarHBondContact O-N 3.16Å; K1422-V1425 WeakPolarHBondContact O-CB 3.38Å; K1422-V1425 PolarHBondContact O-N 3.02Å; V1425-I1428 PolarHBondContact O-N 2.91Å; V1425-W1429 VanDerWaalsContact O-CD1 3.3Å; V1425-W1429 PolarHBondContact O-N 3.07Å; V1425-W1429 VanDerWaalsContact O-N 3.13Å; V1425-L1475 HydrophobicContact CG2-CB 3.93Å; V1425-L1475 HydrophobicContact CG2-CD1 4.04Å; V1425-V1478 HydrophobicContact CG1-CG2 3.94Å; V1425-V1478 HydrophobicContact CG2-CG2 4.45Å
1426M88.8Confident83.6Confident108.2 Ų108.260.7 Ų60.753%0.53329%0.285SS..Hα-helixtrans-61.6-47.9173-70.6175.769.700111.8K1422 I1424 I1428 W1429 D1430K1422-M1426 WeakPolarHBondContact O-CG 3.48Å; K1422-M1426 PolarHBondContact O-N 3.06Å; I1424-M1426 VanDerWaalsContact C-N 3.34Å; I1424-M1426 PolarHBondContact O-N 3.23Å; M1426-I1428 VanDerWaalsContact C-N 3.3Å; M1426-I1428 PolarHBondContact O-N 3.32Å; M1426-W1429 CarbonylContact O-C 3.54Å; M1426-W1429 WeakPolarHBondContact O-CA 3.5Å; M1426-W1429 WeakPolarHBondContact O-CB 3.32Å; M1426-W1429 PolarHBondContact O-N 3.09Å; M1426-W1429 VanDerWaalsContact O-N 3.1Å; M1426-D1430 VanDerWaalsContact O-CG 3.31Å; M1426-D1430 PolarHBondContact O-N 3.13Å
1427Q89.3Confident83.8Confident57.8 Ų57.861.4 Ų61.427%0.2729%0.289SS..Hα-helixtrans-57.5-38.8179.2-81.2162.277.100113L1423 I1424 D1430 I1431 V1450L1423-Q1427 WeakPolarHBondContact O-CB 3.4Å; L1423-Q1427 VanDerWaalsContact O-CG 3.31Å; L1423-Q1427 WeakPolarHBondContact O-CG 3.42Å; L1423-Q1427 PolarHBondContact O-N 3.05Å; L1423-Q1427 VanDerWaalsContact O-N 3.12Å; L1423-Q1427 PolarHBondContact O-NE2 3.29Å; I1424-Q1427 WeakPolarHBondContact O-CB 3.48Å; I1424-Q1427 PolarHBondContact O-N 3.33Å; I1424-Q1427 VanDerWaalsContact O-N 3.17Å; Q1427-D1430 PolarHBondContact O-N 3.02Å; Q1427-I1431 WeakPolarHBondContact O-CB 3.26Å; Q1427-I1431 VanDerWaalsContact O-CD1 3.28Å; Q1427-I1431 WeakPolarHBondContact O-CD1 3.33Å; Q1427-I1431 WeakPolarHBondContact O-CG1 3.31Å; Q1427-I1431 PolarHBondContact O-N 3Å; Q1427-I1431 VanDerWaalsContact O-N 3.11Å; Q1427-V1450 HydrophobicContact CB-CG1 4.17Å; Q1427-V1450 HydrophobicContact CB-CG2 3.94Å
1428I88.5Confident83.9Confident0.4 Ų0.464.6 Ų64.60%0.00230%0.3CS..Hα-helixtrans-71.8-39176.3-57.2170.7000111.1I1424 V1425 M1426 D1430 I1431 F1432 L1447 V1450 F1451 V1478 C1482I1424-I1428 HydrophobicContact CG2-CD1 4.23Å; I1424-I1428 WeakPolarHBondContact O-CG1 3.32Å; I1424-I1428 PolarHBondContact O-N 3.16Å; I1424-I1428 VanDerWaalsContact O-N 3.1Å; V1425-I1428 PolarHBondContact O-N 2.91Å; M1426-I1428 VanDerWaalsContact C-N 3.3Å; M1426-I1428 PolarHBondContact O-N 3.32Å; I1428-D1430 VanDerWaalsContact C-N 3.31Å; I1428-D1430 PolarHBondContact O-N 3.11Å; I1428-I1431 PolarHBondContact O-N 3.09Å; I1428-F1432 WeakPolarHBondContact O-CB 3.38Å; I1428-F1432 PolarHBondContact O-N 3.01Å; I1428-L1447 HydrophobicContact CG2-CD2 4.15Å; I1428-V1450 HydrophobicContact CD1-CG1 4.04Å; I1428-V1450 HydrophobicContact CG1-CB 4.4Å; I1428-V1450 HydrophobicContact CG1-CG1 3.54Å; I1428-F1451 HydrophobicContact CD1-CD1 4.42Å; I1428-F1451 HydrophobicContact CD1-CE1 3.94Å; I1428-V1478 HydrophobicContact CB-CG1 3.5Å; I1428-V1478 VanDerWaalsContact CB-CG1 3.48Å; I1428-V1478 HydrophobicContact CD1-CG1 3.57Å; I1428-V1478 HydrophobicContact CG1-CG1 4.09Å; I1428-V1478 HydrophobicContact CG2-CG1 3.42Å; I1428-V1478 VanDerWaalsContact CG2-CG1 3.44Å; I1428-C1482 WeakPolarHBondContact CG2-SG 3.44Å
1429W88.9Confident83.7Confident105.8 Ų105.866.3 Ų66.340%0.40131%0.314SS..Hα-helixtrans-61.3-38.6173.5-92.2116.9000112.9V1425 M1426 F1432 K1433 V1478 L1481V1425-W1429 VanDerWaalsContact O-CD1 3.3Å; V1425-W1429 PolarHBondContact O-N 3.07Å; V1425-W1429 VanDerWaalsContact O-N 3.13Å; M1426-W1429 CarbonylContact O-C 3.54Å; M1426-W1429 WeakPolarHBondContact O-CA 3.5Å; M1426-W1429 WeakPolarHBondContact O-CB 3.32Å; M1426-W1429 PolarHBondContact O-N 3.09Å; M1426-W1429 VanDerWaalsContact O-N 3.1Å; W1429-F1432 AromaticContact CE3-CD1 3.74Å; W1429-F1432 HydrophobicContact CE3-CD1 3.74Å; W1429-F1432 HydrophobicContact CE3-CE1 4.4Å; W1429-F1432 HydrophobicContact CE3-CG 4.48Å; W1429-F1432 AromaticContact CZ3-CD1 3.65Å; W1429-F1432 HydrophobicContact CZ3-CD1 3.65Å; W1429-F1432 AromaticContact CZ3-CE1 3.84Å; W1429-F1432 HydrophobicContact CZ3-CE1 3.84Å; W1429-F1432 PolarHBondContact O-N 3.13Å; W1429-K1433 VanDerWaalsContact O-CG 3.3Å; W1429-K1433 WeakPolarHBondContact O-CG 3.36Å; W1429-K1433 PolarHBondContact O-N 3.13Å; W1429-K1433 VanDerWaalsContact O-N 3.09Å; W1429-V1478 VanDerWaalsContact CD1-CG2 3.49Å; W1429-V1478 HydrophobicContact CG-CG2 4.38Å; W1429-V1478 VanDerWaalsContact NE1-CG2 3.3Å; W1429-L1481 HydrophobicContact CD2-CD2 4.39Å; W1429-L1481 HydrophobicContact CE3-CD2 4.03Å; W1429-L1481 HydrophobicContact CH2-CD2 3.72Å; W1429-L1481 HydrophobicContact CZ2-CD2 4.1Å; W1429-L1481 HydrophobicContact CZ3-CD2 3.68Å
1430D87.7Confident83.6Confident72 Ų7266 Ų6639%0.38531%0.309SS..Hα-helixtrans-72.8-37.2178-64.2-31.3000111.7M1426 Q1427 I1428 F1432 K1433 M1434M1426-D1430 VanDerWaalsContact O-CG 3.31Å; M1426-D1430 PolarHBondContact O-N 3.13Å; Q1427-D1430 PolarHBondContact O-N 3.02Å; I1428-D1430 VanDerWaalsContact C-N 3.31Å; I1428-D1430 PolarHBondContact O-N 3.11Å; D1430-F1432 VanDerWaalsContact C-N 3.34Å; D1430-F1432 PolarHBondContact O-N 3.05Å; D1430-K1433 PolarHBondContact O-N 3.19Å; D1430-K1433 IonicContact OD1-NZ 3.08Å; D1430-K1433 PolarHBondContact OD1-NZ 3.05Å; D1430-M1434 WeakPolarHBondContact O-CG 3.35Å; D1430-M1434 PolarHBondContact O-N 3Å; D1430-M1434 VanDerWaalsContact O-N 3.12Å
1431I87.2Confident83.3Confident15.8 Ų15.863.7 Ų63.78%0.08131%0.308CS..Hα-helixtrans-59.6-45.1169.4-69.1162000110.8Q1427 I1428 K1433 M1434 D1435 T1443 K1446 L1447 V1450Q1427-I1431 WeakPolarHBondContact O-CB 3.26Å; Q1427-I1431 VanDerWaalsContact O-CD1 3.28Å; Q1427-I1431 WeakPolarHBondContact O-CD1 3.33Å; Q1427-I1431 WeakPolarHBondContact O-CG1 3.31Å; Q1427-I1431 PolarHBondContact O-N 3Å; Q1427-I1431 VanDerWaalsContact O-N 3.11Å; I1428-I1431 PolarHBondContact O-N 3.09Å; I1431-K1433 VanDerWaalsContact C-N 3.33Å; I1431-K1433 PolarHBondContact O-N 3.19Å; I1431-M1434 CarbonylContact O-C 3.54Å; I1431-M1434 PolarHBondContact O-N 3.1Å; I1431-M1434 VanDerWaalsContact O-N 3.16Å; I1431-D1435 PolarHBondContact O-N 3.14Å; I1431-D1435 VanDerWaalsContact O-N 3.13Å; I1431-T1443 HydrophobicContact CG2-CG2 3.59Å; I1431-T1443 VanDerWaalsContact CG2-CG2 3.48Å; I1431-K1446 HydrophobicContact CD1-CB 3.67Å; I1431-K1446 HydrophobicContact CG1-CB 3.85Å; I1431-K1446 HydrophobicContact CG1-CD 4.31Å; I1431-K1446 HydrophobicContact CG2-CB 4.43Å; I1431-L1447 HydrophobicContact CD1-CD2 4.33Å; I1431-L1447 HydrophobicContact CG2-CD2 4.02Å; I1431-L1447 HydrophobicContact CG2-CG 4.05Å; I1431-V1450 HydrophobicContact CD1-CB 4.47Å; I1431-V1450 HydrophobicContact CD1-CG2 3.76Å
1432F85.9Confident83.3Confident40.4 Ų40.466.3 Ų66.318%0.17732%0.324CS..Hα-helixtrans-62.6-41.4177.6171.1-104.3000112.9I1428 W1429 D1430 M1434 D1435 L1481 H1490 W1491I1428-F1432 WeakPolarHBondContact O-CB 3.38Å; I1428-F1432 PolarHBondContact O-N 3.01Å; W1429-F1432 AromaticContact CE3-CD1 3.74Å; W1429-F1432 HydrophobicContact CE3-CD1 3.74Å; W1429-F1432 HydrophobicContact CE3-CE1 4.4Å; W1429-F1432 HydrophobicContact CE3-CG 4.48Å; W1429-F1432 AromaticContact CZ3-CD1 3.65Å; W1429-F1432 HydrophobicContact CZ3-CD1 3.65Å; W1429-F1432 AromaticContact CZ3-CE1 3.84Å; W1429-F1432 HydrophobicContact CZ3-CE1 3.84Å; W1429-F1432 PolarHBondContact O-N 3.13Å; D1430-F1432 VanDerWaalsContact C-N 3.34Å; D1430-F1432 PolarHBondContact O-N 3.05Å; F1432-M1434 VanDerWaalsContact C-N 3.29Å; F1432-M1434 PolarHBondContact O-N 3.15Å; F1432-D1435 WeakPolarHBondContact O-CB 3.4Å; F1432-D1435 PolarHBondContact O-N 3.14Å; F1432-L1481 HydrophobicContact CB-CD2 4.43Å; F1432-L1481 HydrophobicContact CD1-CD2 4.06Å; F1432-L1481 HydrophobicContact CD2-CD1 4.4Å; F1432-L1481 HydrophobicContact CD2-CD2 4.27Å; F1432-L1481 HydrophobicContact CD2-CG 4.4Å; F1432-L1481 HydrophobicContact CE1-CD2 4.39Å; F1432-L1481 HydrophobicContact CE2-CD1 4.06Å; F1432-L1481 HydrophobicContact CE2-CD2 4.44Å; F1432-L1481 HydrophobicContact CE2-CG 4.46Å; F1432-L1481 HydrophobicContact CG-CD2 3.97Å; F1432-L1481 HydrophobicContact CZ-CD1 4.19Å; F1432-H1490 HydrophobicContact CE2-CB 4.05Å; F1432-H1490 VanDerWaalsContact CE2-O 3.26Å; F1432-H1490 WeakPolarHBondContact CE2-O 3.41Å; F1432-H1490 HydrophobicContact CZ-CB 3.97Å; F1432-H1490 WeakPolarHBondContact CZ-O 3.27Å; F1432-W1491 HydrophobicContact CB-CH2 4.06Å; F1432-W1491 HydrophobicContact CB-CZ2 4.21Å; F1432-W1491 HydrophobicContact CB-CZ3 4.47Å; F1432-W1491 AromaticContact CD2-CD2 3.74Å; F1432-W1491 HydrophobicContact CD2-CD2 3.74Å; F1432-W1491 AromaticContact CD2-CE2 3.47Å; F1432-W1491 VanDerWaalsContact CD2-CE2 3.46Å; F1432-W1491 HydrophobicContact CD2-CE3 4.16Å; F1432-W1491 HydrophobicContact CD2-CG 4.21Å; F1432-W1491 HydrophobicContact CD2-CH2 4.12Å; F1432-W1491 AromaticContact CD2-CZ2 3.7Å; F1432-W1491 HydrophobicContact CD2-CZ2 3.7Å; F1432-W1491 HydrophobicContact CD2-CZ3 4.33Å; F1432-W1491 AromaticContact CD2-NE1 3.8Å; F1432-W1491 AromaticContact CE2-CD1 3.94Å; F1432-W1491 HydrophobicContact CE2-CD2 4.15Å; F1432-W1491 AromaticContact CE2-CE2 3.94Å; F1432-W1491 HydrophobicContact CE2-CG 4.12Å; F1432-W1491 AromaticContact CE2-NE1 3.86Å; F1432-W1491 HydrophobicContact CG-CH2 4.49Å; F1432-W1491 HydrophobicContact CG-CZ2 4.35Å
1433K83.5Confident83.2Confident129 Ų12962.2 Ų62.256%0.56131%0.306SS*.Hα-helixtrans-61.2-41.5176.2-72168.5-165.41660112.1W1429 D1430 I1431 D1435W1429-K1433 VanDerWaalsContact O-CG 3.3Å; W1429-K1433 WeakPolarHBondContact O-CG 3.36Å; W1429-K1433 PolarHBondContact O-N 3.13Å; W1429-K1433 VanDerWaalsContact O-N 3.09Å; D1430-K1433 PolarHBondContact O-N 3.19Å; D1430-K1433 IonicContact OD1-NZ 3.08Å; D1430-K1433 PolarHBondContact OD1-NZ 3.05Å; I1431-K1433 VanDerWaalsContact C-N 3.33Å; I1431-K1433 PolarHBondContact O-N 3.19Å; K1433-D1435 VanDerWaalsContact C-N 3.32Å; K1433-D1435 PolarHBondContact O-N 3.42Å
1434M82.9Confident83.1Confident74.6 Ų74.658 Ų5837%0.36728%0.284SS..G310 helixtrans-90.24.4-176.4-55.5-167.381.400114.2D1430 I1431 F1432 K1436 D1437 Y1438D1430-M1434 WeakPolarHBondContact O-CG 3.35Å; D1430-M1434 PolarHBondContact O-N 3Å; D1430-M1434 VanDerWaalsContact O-N 3.12Å; I1431-M1434 CarbonylContact O-C 3.54Å; I1431-M1434 PolarHBondContact O-N 3.1Å; I1431-M1434 VanDerWaalsContact O-N 3.16Å; F1432-M1434 VanDerWaalsContact C-N 3.29Å; F1432-M1434 PolarHBondContact O-N 3.15Å; M1434-K1436 PolarHBondContact O-N 3.27Å; M1434-K1436 VanDerWaalsContact O-N 3.14Å; M1434-D1437 HydrophobicContact CE-CB 4.46Å; M1434-D1437 VanDerWaalsContact CE-OD2 3.28Å; M1434-D1437 WeakPolarHBondContact CE-OD2 3.44Å; M1434-D1437 PolarHBondContact O-N 3.12Å; M1434-Y1438 HydrophobicContact CB-CD2 3.65Å; M1434-Y1438 HydrophobicContact CB-CE2 3.44Å; M1434-Y1438 VanDerWaalsContact CB-CE2 3.45Å; M1434-Y1438 HydrophobicContact CE-CE2 3.84Å; M1434-Y1438 WeakPolarHBondContact CE-OH 3.4Å; M1434-Y1438 HydrophobicContact CG-CE2 4.21Å; M1434-Y1438 VanDerWaalsContact O-CD2 3.26Å; M1434-Y1438 WeakPolarHBondContact O-CD2 3.38Å; M1434-Y1438 PolarHBondContact O-N 3.04Å; M1434-Y1438 HydrophobicContact SD-CE2 3.79Å
1435D81Confident83.1Confident2.4 Ų2.462.5 Ų62.51%0.01331%0.308CS..THydrogen-bonded Turntrans-59.9-20.9176.6-169.851.4000112.8I1431 F1432 K1433 D1437 T1443 W1491 H1492 H1494 Y1509I1431-D1435 PolarHBondContact O-N 3.14Å; I1431-D1435 VanDerWaalsContact O-N 3.13Å; F1432-D1435 WeakPolarHBondContact O-CB 3.4Å; F1432-D1435 PolarHBondContact O-N 3.14Å; K1433-D1435 VanDerWaalsContact C-N 3.32Å; K1433-D1435 PolarHBondContact O-N 3.42Å; D1435-D1437 VanDerWaalsContact C-N 3.32Å; D1435-T1443 WeakPolarHBondContact OD1-CB 3.4Å; D1435-T1443 VanDerWaalsContact OD1-CG2 3.3Å; D1435-T1443 WeakPolarHBondContact OD1-CG2 3.34Å; D1435-T1443 PolarHBondContact OD1-OG1 3.15Å; D1435-W1491 HydrophobicContact CB-CE3 4.35Å; D1435-H1492 PolarHBondContact OD2-N 3.26Å; D1435-H1494 PolarHBondContact O-NE2 3.28Å; D1435-Y1509 PolarHBondContact OD1-OH 3.14Å
1436K73.5Confident83.1Confident148 Ų14864.9 Ų64.964%0.64332%0.317SS*.THydrogen-bonded Turntrans-73.3-27.8172.3-62.3-179.7-179.7-178.80113.7M1434 H1492M1434-K1436 PolarHBondContact O-N 3.27Å; M1434-K1436 VanDerWaalsContact O-N 3.14Å; K1436-H1492 HydrophobicContact CG-CB 4.14Å
1437D71.9Confident83.1Confident116 Ų11659.7 Ų59.762%0.6229%0.292SS*.THydrogen-bonded Turntrans-99.9-12.8-171.2-49.6-40.6000112.4M1434 D1435M1434-D1437 HydrophobicContact CE-CB 4.46Å; M1434-D1437 VanDerWaalsContact CE-OD2 3.28Å; M1434-D1437 WeakPolarHBondContact CE-OD2 3.44Å; M1434-D1437 PolarHBondContact O-N 3.12Å; D1435-D1437 VanDerWaalsContact C-N 3.32Å
1438Y72.2Confident83.2Confident74 Ų7460.4 Ų60.429%0.2929%0.294SS..SBendtrans-118.5139.7-173.2-69.6-54.6000112.6M1434 V1442 K1446 H1494M1434-Y1438 HydrophobicContact CB-CD2 3.65Å; M1434-Y1438 HydrophobicContact CB-CE2 3.44Å; M1434-Y1438 VanDerWaalsContact CB-CE2 3.45Å; M1434-Y1438 HydrophobicContact CE-CE2 3.84Å; M1434-Y1438 WeakPolarHBondContact CE-OH 3.4Å; M1434-Y1438 HydrophobicContact CG-CE2 4.21Å; M1434-Y1438 VanDerWaalsContact O-CD2 3.26Å; M1434-Y1438 WeakPolarHBondContact O-CD2 3.38Å; M1434-Y1438 PolarHBondContact O-N 3.04Å; M1434-Y1438 HydrophobicContact SD-CE2 3.79Å; Y1438-V1442 HydrophobicContact CD1-CB 4.46Å; Y1438-V1442 HydrophobicContact CD1-CG1 3.81Å; Y1438-V1442 HydrophobicContact CE1-CG1 4.35Å; Y1438-V1442 HydrophobicContact CG-CB 4.48Å; Y1438-V1442 HydrophobicContact CG-CG1 3.94Å; Y1438-K1446 PolarHBondContact OH-NZ 3.06Å; Y1438-K1446 VanDerWaalsContact OH-NZ 3.17Å; Y1438-H1494 PolarHBondContact O-CE1 3.23Å; Y1438-H1494 PolarHBondContact O-NE2 3.16Å
1439S74.2Confident83.2Confident58.6 Ų58.664.9 Ų64.941%0.4132%0.317SS..  trans-57.8145.2167.6138.70000111.1S1441 V1442 T1443S1439-S1441 PolarHBondContact O-N 3.2Å; S1439-S1441 VanDerWaalsContact O-N 3.07Å; S1439-S1441 PolarHBondContact OG-OG 3.14Å; S1439-V1442 WeakPolarHBondContact O-CA 3.35Å; S1439-V1442 WeakPolarHBondContact O-CB 3.36Å; S1439-V1442 PolarHBondContact O-N 3.13Å; S1439-V1442 WeakPolarHBondContact OG-CG2 3.5Å; S1439-T1443 PolarHBondContact O-N 3.22Å; S1439-T1443 VanDerWaalsContact O-N 3.1Å
1440F78.4Confident83.4Confident77.2 Ų77.260.1 Ų60.134%0.33930%0.3SS..Hα-helixtrans-46.9-38-178.887.1-87.4000113.8V1442 T1443 L1444 W1508 Y1509 E1512F1440-V1442 VanDerWaalsContact C-N 3.33Å; F1440-V1442 PolarHBondContact O-N 3.28Å; F1440-T1443 PolarHBondContact O-N 3.25Å; F1440-L1444 HydrophobicContact CD2-CD1 4.09Å; F1440-L1444 HydrophobicContact CD2-CG 4.27Å; F1440-L1444 HydrophobicContact CE1-CD1 4.01Å; F1440-L1444 HydrophobicContact CE2-CD1 3.41Å; F1440-L1444 VanDerWaalsContact CE2-CD1 3.41Å; F1440-L1444 HydrophobicContact CE2-CD2 4.49Å; F1440-L1444 HydrophobicContact CE2-CG 3.85Å; F1440-L1444 HydrophobicContact CZ-CD1 3.26Å; F1440-L1444 HydrophobicContact CZ-CG 4.13Å; F1440-L1444 WeakPolarHBondContact O-CB 3.34Å; F1440-L1444 VanDerWaalsContact O-CG 3.27Å; F1440-L1444 WeakPolarHBondContact O-CG 3.34Å; F1440-L1444 PolarHBondContact O-N 3.37Å; F1440-W1508 HydrophobicContact CD2-CH2 4.4Å; F1440-W1508 HydrophobicContact CD2-CZ3 4.33Å; F1440-W1508 AromaticContact CE1-CH2 3.86Å; F1440-W1508 HydrophobicContact CE1-CH2 3.86Å; F1440-W1508 HydrophobicContact CE1-CZ3 4.02Å; F1440-W1508 HydrophobicContact CE2-CE3 4.35Å; F1440-W1508 HydrophobicContact CE2-CH2 4.17Å; F1440-W1508 AromaticContact CE2-CZ3 3.42Å; F1440-W1508 HydrophobicContact CE2-CZ3 3.42Å; F1440-W1508 VanDerWaalsContact CE2-CZ3 3.42Å; F1440-W1508 AromaticContact CZ-CH2 3.38Å; F1440-W1508 HydrophobicContact CZ-CH2 3.38Å; F1440-W1508 AromaticContact CZ-CZ3 3.31Å; F1440-W1508 HydrophobicContact CZ-CZ3 3.31Å; F1440-Y1509 HydrophobicContact CB-CD2 4.48Å; F1440-Y1509 HydrophobicContact CB-CE2 3.99Å; F1440-Y1509 AromaticContact CD2-CD2 3.69Å; F1440-Y1509 HydrophobicContact CD2-CD2 3.69Å; F1440-Y1509 AromaticContact CD2-CE2 3.63Å; F1440-Y1509 HydrophobicContact CD2-CE2 3.63Å; F1440-Y1509 AromaticContact CE2-CD2 3.73Å; F1440-Y1509 HydrophobicContact CE2-CD2 3.73Å; F1440-Y1509 AromaticContact CE2-CE2 3.94Å; F1440-Y1509 HydrophobicContact CE2-CE2 3.94Å; F1440-E1512 HydrophobicContact CE2-CB 4.2Å; F1440-E1512 HydrophobicContact CE2-CG 4.41Å; F1440-E1512 HydrophobicContact CZ-CB 4.29Å; F1440-E1512 HydrophobicContact CZ-CG 4.12Å
1441S78.3Confident83.5Confident52.4 Ų52.456.7 Ų56.737%0.36628%0.281SS..Hα-helixtrans-64.7-36.1178.158.50000112.9S1439 N1445S1439-S1441 PolarHBondContact O-N 3.2Å; S1439-S1441 VanDerWaalsContact O-N 3.07Å; S1439-S1441 PolarHBondContact OG-OG 3.14Å; S1441-N1445 VanDerWaalsContact O-CB 3.28Å; S1441-N1445 WeakPolarHBondContact O-CB 3.36Å; S1441-N1445 VanDerWaalsContact O-CG 3.26Å; S1441-N1445 PolarHBondContact O-N 3.05Å; S1441-N1445 VanDerWaalsContact O-N 3.09Å; S1441-N1445 PolarHBondContact O-ND2 3.12Å
1442V83.9Confident83.6Confident53.4 Ų53.461 Ų6132%0.32430%0.3SS..Hα-helixtrans-72.9-41.9176.4176.40000110.6Y1438 S1439 F1440 N1445 K1446Y1438-V1442 HydrophobicContact CD1-CB 4.46Å; Y1438-V1442 HydrophobicContact CD1-CG1 3.81Å; Y1438-V1442 HydrophobicContact CE1-CG1 4.35Å; Y1438-V1442 HydrophobicContact CG-CB 4.48Å; Y1438-V1442 HydrophobicContact CG-CG1 3.94Å; S1439-V1442 WeakPolarHBondContact O-CA 3.35Å; S1439-V1442 WeakPolarHBondContact O-CB 3.36Å; S1439-V1442 PolarHBondContact O-N 3.13Å; S1439-V1442 WeakPolarHBondContact OG-CG2 3.5Å; F1440-V1442 VanDerWaalsContact C-N 3.33Å; F1440-V1442 PolarHBondContact O-N 3.28Å; V1442-N1445 PolarHBondContact O-N 2.96Å; V1442-K1446 HydrophobicContact CG1-CD 4.26Å; V1442-K1446 WeakPolarHBondContact O-CB 3.41Å; V1442-K1446 VanDerWaalsContact O-CG 3.31Å; V1442-K1446 WeakPolarHBondContact O-CG 3.31Å; V1442-K1446 PolarHBondContact O-N 3.14Å
1443T85.5Confident83.6Confident0.6 Ų0.663.5 Ų63.50%0.00431%0.31CS..Hα-helixtrans-61.2-48.2173.9-53.30000111.1I1431 D1435 S1439 F1440 N1445 K1446 L1447 W1491 Y1509I1431-T1443 HydrophobicContact CG2-CG2 3.59Å; I1431-T1443 VanDerWaalsContact CG2-CG2 3.48Å; D1435-T1443 WeakPolarHBondContact OD1-CB 3.4Å; D1435-T1443 VanDerWaalsContact OD1-CG2 3.3Å; D1435-T1443 WeakPolarHBondContact OD1-CG2 3.34Å; D1435-T1443 PolarHBondContact OD1-OG1 3.15Å; S1439-T1443 PolarHBondContact O-N 3.22Å; S1439-T1443 VanDerWaalsContact O-N 3.1Å; F1440-T1443 PolarHBondContact O-N 3.25Å; T1443-N1445 VanDerWaalsContact C-N 3.35Å; T1443-N1445 PolarHBondContact O-N 3.06Å; T1443-K1446 PolarHBondContact O-N 3.21Å; T1443-L1447 HydrophobicContact CG2-CD1 4.2Å; T1443-L1447 HydrophobicContact CG2-CG 4.44Å; T1443-L1447 WeakPolarHBondContact O-CG 3.37Å; T1443-L1447 PolarHBondContact O-N 2.98Å; T1443-W1491 HydrophobicContact CG2-CZ3 4.03Å; T1443-Y1509 VanDerWaalsContact CB-OH 3.29Å; T1443-Y1509 WeakPolarHBondContact CB-OH 3.25Å; T1443-Y1509 VanDerWaalsContact CG2-OH 3.26Å; T1443-Y1509 WeakPolarHBondContact CG2-OH 3.31Å
1444L86.5Confident83.9Confident11.4 Ų11.457.3 Ų57.36%0.0628%0.283CS..Hα-helixtrans-63-40178.8-70.6176.4000112.5F1440 K1446 L1447 F1448 Y1509 E1512 R1513 V1516F1440-L1444 HydrophobicContact CD2-CD1 4.09Å; F1440-L1444 HydrophobicContact CD2-CG 4.27Å; F1440-L1444 HydrophobicContact CE1-CD1 4.01Å; F1440-L1444 HydrophobicContact CE2-CD1 3.41Å; F1440-L1444 VanDerWaalsContact CE2-CD1 3.41Å; F1440-L1444 HydrophobicContact CE2-CD2 4.49Å; F1440-L1444 HydrophobicContact CE2-CG 3.85Å; F1440-L1444 HydrophobicContact CZ-CD1 3.26Å; F1440-L1444 HydrophobicContact CZ-CG 4.13Å; F1440-L1444 WeakPolarHBondContact O-CB 3.34Å; F1440-L1444 VanDerWaalsContact O-CG 3.27Å; F1440-L1444 WeakPolarHBondContact O-CG 3.34Å; F1440-L1444 PolarHBondContact O-N 3.37Å; L1444-K1446 VanDerWaalsContact C-N 3.31Å; L1444-K1446 PolarHBondContact O-N 3.13Å; L1444-L1447 HydrophobicContact CD2-CD1 4.36Å; L1444-L1447 PolarHBondContact O-N 3.11Å; L1444-F1448 WeakPolarHBondContact O-CB 3.31Å; L1444-F1448 PolarHBondContact O-N 3.31Å; L1444-Y1509 HydrophobicContact CD1-CE2 4.46Å; L1444-Y1509 HydrophobicContact CD2-CE2 4.22Å; L1444-Y1509 HydrophobicContact CG-CE2 4.19Å; L1444-E1512 HydrophobicContact CD1-CB 3.95Å; L1444-E1512 HydrophobicContact CD1-CG 4.4Å; L1444-E1512 HydrophobicContact CD2-CB 4.09Å; L1444-R1513 HydrophobicContact CD2-CB 4.48Å; L1444-R1513 HydrophobicContact CD2-CG 3.79Å; L1444-V1516 HydrophobicContact CB-CG2 4.39Å; L1444-V1516 HydrophobicContact CD1-CG2 4.17Å; L1444-V1516 HydrophobicContact CD2-CG2 4.1Å
1445N87.7Confident84.1Confident100.8 Ų100.854 Ų5454%0.53927%0.267SS..Hα-helixtrans-66.1-36.9175.2-79.3-31.1000112.5S1441 V1442 T1443 F1448 I1449S1441-N1445 VanDerWaalsContact O-CB 3.28Å; S1441-N1445 WeakPolarHBondContact O-CB 3.36Å; S1441-N1445 VanDerWaalsContact O-CG 3.26Å; S1441-N1445 PolarHBondContact O-N 3.05Å; S1441-N1445 VanDerWaalsContact O-N 3.09Å; S1441-N1445 PolarHBondContact O-ND2 3.12Å; V1442-N1445 PolarHBondContact O-N 2.96Å; T1443-N1445 VanDerWaalsContact C-N 3.35Å; T1443-N1445 PolarHBondContact O-N 3.06Å; N1445-F1448 WeakPolarHBondContact O-CB 3.18Å; N1445-F1448 PolarHBondContact O-N 3.32Å; N1445-I1449 WeakPolarHBondContact O-CD1 3.32Å; N1445-I1449 VanDerWaalsContact O-CG1 3.31Å; N1445-I1449 WeakPolarHBondContact O-CG1 3.37Å; N1445-I1449 PolarHBondContact O-N 2.96Å; N1445-I1449 VanDerWaalsContact O-N 3.15Å
1446K89.4Confident84.3Confident63.2 Ų63.257.2 Ų57.228%0.27528%0.284SS..Hα-helixtrans-67.2-44.1173.1-71.8176.5177.7-176.90111.7I1431 Y1438 V1442 T1443 L1444 F1448 I1449 V1450I1431-K1446 HydrophobicContact CD1-CB 3.67Å; I1431-K1446 HydrophobicContact CG1-CB 3.85Å; I1431-K1446 HydrophobicContact CG1-CD 4.31Å; I1431-K1446 HydrophobicContact CG2-CB 4.43Å; Y1438-K1446 PolarHBondContact OH-NZ 3.06Å; Y1438-K1446 VanDerWaalsContact OH-NZ 3.17Å; V1442-K1446 HydrophobicContact CG1-CD 4.26Å; V1442-K1446 WeakPolarHBondContact O-CB 3.41Å; V1442-K1446 VanDerWaalsContact O-CG 3.31Å; V1442-K1446 WeakPolarHBondContact O-CG 3.31Å; V1442-K1446 PolarHBondContact O-N 3.14Å; T1443-K1446 PolarHBondContact O-N 3.21Å; L1444-K1446 VanDerWaalsContact C-N 3.31Å; L1444-K1446 PolarHBondContact O-N 3.13Å; K1446-F1448 VanDerWaalsContact C-N 3.32Å; K1446-F1448 PolarHBondContact O-N 3.16Å; K1446-I1449 PolarHBondContact O-N 3.27Å; K1446-V1450 WeakPolarHBondContact O-CG2 3.41Å; K1446-V1450 PolarHBondContact O-N 3.26Å; K1446-V1450 VanDerWaalsContact O-N 3.1Å
1447L89.6Confident84.8Confident0.2 Ų0.250.2 Ų50.20%0.00125%0.254CS..Hα-helixtrans-60.4-40.2173.8-72.4174.3000111.8I1428 I1431 T1443 L1444 I1449 V1450 F1451 W1491 R1513 V1516I1428-L1447 HydrophobicContact CG2-CD2 4.15Å; I1431-L1447 HydrophobicContact CD1-CD2 4.33Å; I1431-L1447 HydrophobicContact CG2-CD2 4.02Å; I1431-L1447 HydrophobicContact CG2-CG 4.05Å; T1443-L1447 HydrophobicContact CG2-CD1 4.2Å; T1443-L1447 HydrophobicContact CG2-CG 4.44Å; T1443-L1447 WeakPolarHBondContact O-CG 3.37Å; T1443-L1447 PolarHBondContact O-N 2.98Å; L1444-L1447 HydrophobicContact CD2-CD1 4.36Å; L1444-L1447 PolarHBondContact O-N 3.11Å; L1447-I1449 PolarHBondContact O-N 3.18Å; L1447-V1450 PolarHBondContact O-N 3.06Å; L1447-F1451 HydrophobicContact CB-CD2 4.33Å; L1447-F1451 HydrophobicContact CB-CE2 4.07Å; L1447-F1451 HydrophobicContact CD2-CE2 4.39Å; L1447-F1451 HydrophobicContact CD2-CZ 4.32Å; L1447-F1451 WeakPolarHBondContact O-CB 3.3Å; L1447-F1451 VanDerWaalsContact O-CD2 3.27Å; L1447-F1451 WeakPolarHBondContact O-CD2 3.35Å; L1447-F1451 WeakPolarHBondContact O-CG 3.34Å; L1447-F1451 PolarHBondContact O-N 3.12Å; L1447-W1491 HydrophobicContact CD1-CH2 4.31Å; L1447-W1491 HydrophobicContact CD1-CZ3 4.25Å; L1447-W1491 HydrophobicContact CD2-CH2 4.43Å; L1447-R1513 HydrophobicContact CD1-CG 3.86Å; L1447-V1516 HydrophobicContact CB-CG1 4.35Å
1448F90Very high85.4Confident72.6 Ų72.644.9 Ų44.932%0.31823%0.226SC..Hα-helixtrans-57.1-49.5174.6177.7-91000111.5L1444 N1445 K1446 V1450 F1451 K1452 V1516 L1519 N1520L1444-F1448 WeakPolarHBondContact O-CB 3.31Å; L1444-F1448 PolarHBondContact O-N 3.31Å; N1445-F1448 WeakPolarHBondContact O-CB 3.18Å; N1445-F1448 PolarHBondContact O-N 3.32Å; K1446-F1448 VanDerWaalsContact C-N 3.32Å; K1446-F1448 PolarHBondContact O-N 3.16Å; F1448-V1450 VanDerWaalsContact C-N 3.31Å; F1448-V1450 PolarHBondContact O-N 3.02Å; F1448-F1451 PolarHBondContact O-N 2.79Å; F1448-K1452 VanDerWaalsContact O-CB 3.32Å; F1448-K1452 WeakPolarHBondContact O-CB 3.31Å; F1448-K1452 PolarHBondContact O-N 3.13Å; F1448-V1516 VanDerWaalsContact CA-CG1 3.47Å; F1448-V1516 HydrophobicContact CB-CG1 3.7Å; F1448-V1516 HydrophobicContact CD2-CG1 4.3Å; F1448-V1516 HydrophobicContact CG-CG1 4.47Å; F1448-L1519 HydrophobicContact CD2-CD2 4.4Å; F1448-L1519 HydrophobicContact CE2-CD2 3.81Å; F1448-L1519 HydrophobicContact CE2-CG 4.28Å; F1448-N1520 WeakPolarHBondContact CD2-ND2 3.38Å; F1448-N1520 WeakPolarHBondContact CE2-ND2 3.41Å; F1448-N1520 PolarHBondContact O-ND2 2.89Å
1449I89.9Confident85.8Confident93.6 Ų93.644.6 Ų44.648%0.4823%0.229SC..Hα-helixtrans-60.9-39.8178.3-68.1164.6000111.4N1445 K1446 L1447 K1452 K1453N1445-I1449 WeakPolarHBondContact O-CD1 3.32Å; N1445-I1449 VanDerWaalsContact O-CG1 3.31Å; N1445-I1449 WeakPolarHBondContact O-CG1 3.37Å; N1445-I1449 PolarHBondContact O-N 2.96Å; N1445-I1449 VanDerWaalsContact O-N 3.15Å; K1446-I1449 PolarHBondContact O-N 3.27Å; L1447-I1449 PolarHBondContact O-N 3.18Å; I1449-K1452 WeakPolarHBondContact O-CB 3.42Å; I1449-K1452 PolarHBondContact O-N 3.19Å; I1449-K1453 WeakPolarHBondContact O-CG 3.42Å; I1449-K1453 PolarHBondContact O-N 3.12Å; I1449-K1453 VanDerWaalsContact O-N 3.15Å
1450V91.2Very high85.9Confident6 Ų646.8 Ų46.84%0.03623%0.233CC..Hα-helixtrans-77.8-38.1-177.3-179.10000112.3I1424 Q1427 I1428 I1431 K1446 L1447 F1448 K1452 K1453 L1454I1424-V1450 HydrophobicContact CB-CG1 4.5Å; I1424-V1450 HydrophobicContact CG2-CG1 3.83Å; Q1427-V1450 HydrophobicContact CB-CG1 4.17Å; Q1427-V1450 HydrophobicContact CB-CG2 3.94Å; I1428-V1450 HydrophobicContact CD1-CG1 4.04Å; I1428-V1450 HydrophobicContact CG1-CB 4.4Å; I1428-V1450 HydrophobicContact CG1-CG1 3.54Å; I1431-V1450 HydrophobicContact CD1-CB 4.47Å; I1431-V1450 HydrophobicContact CD1-CG2 3.76Å; K1446-V1450 WeakPolarHBondContact O-CG2 3.41Å; K1446-V1450 PolarHBondContact O-N 3.26Å; K1446-V1450 VanDerWaalsContact O-N 3.1Å; L1447-V1450 PolarHBondContact O-N 3.06Å; F1448-V1450 VanDerWaalsContact C-N 3.31Å; F1448-V1450 PolarHBondContact O-N 3.02Å; V1450-K1452 VanDerWaalsContact C-N 3.3Å; V1450-K1452 PolarHBondContact O-N 3.12Å; V1450-K1453 WeakPolarHBondContact O-CB 3.45Å; V1450-K1453 PolarHBondContact O-N 3.07Å; V1450-L1454 PolarHBondContact O-N 2.88Å; V1450-L1454 VanDerWaalsContact O-N 3.13Å
1451F90.7Very high85.4Confident0.4 Ų0.444.5 Ų44.50%0.00223%0.231CC..Hα-helixtrans-67.8-29.7171.3-65.4-37.6000112.5I1428 L1447 F1448 L1454 S1455 L1479 C1482 V1516 F1517 N1520I1428-F1451 HydrophobicContact CD1-CD1 4.42Å; I1428-F1451 HydrophobicContact CD1-CE1 3.94Å; L1447-F1451 HydrophobicContact CB-CD2 4.33Å; L1447-F1451 HydrophobicContact CB-CE2 4.07Å; L1447-F1451 HydrophobicContact CD2-CE2 4.39Å; L1447-F1451 HydrophobicContact CD2-CZ 4.32Å; L1447-F1451 WeakPolarHBondContact O-CB 3.3Å; L1447-F1451 VanDerWaalsContact O-CD2 3.27Å; L1447-F1451 WeakPolarHBondContact O-CD2 3.35Å; L1447-F1451 WeakPolarHBondContact O-CG 3.34Å; L1447-F1451 PolarHBondContact O-N 3.12Å; F1448-F1451 PolarHBondContact O-N 2.79Å; F1451-L1454 PolarHBondContact O-N 3.16Å; F1451-S1455 WeakPolarHBondContact O-CB 3.27Å; F1451-S1455 PolarHBondContact O-N 3.09Å; F1451-L1479 HydrophobicContact CE1-CD2 4.11Å; F1451-C1482 HydrophobicContact CZ-CB 4.37Å; F1451-V1516 HydrophobicContact CD2-CG1 4.22Å; F1451-F1517 AromaticContact CD1-CD2 3.81Å; F1451-F1517 HydrophobicContact CD1-CD2 3.81Å; F1451-F1517 HydrophobicContact CD1-CE2 4.42Å; F1451-F1517 HydrophobicContact CD2-CB 3.94Å; F1451-F1517 HydrophobicContact CD2-CD2 4.16Å; F1451-F1517 AromaticContact CE1-CD2 3.82Å; F1451-F1517 HydrophobicContact CE1-CD2 3.82Å; F1451-F1517 HydrophobicContact CE1-CE2 4.46Å; F1451-F1517 HydrophobicContact CE2-CB 3.8Å; F1451-F1517 HydrophobicContact CE2-CD2 4.17Å; F1451-F1517 HydrophobicContact CE2-CG 4.46Å; F1451-F1517 AromaticContact CG-CD2 3.97Å; F1451-F1517 HydrophobicContact CG-CD2 4Å; F1451-F1517 HydrophobicContact CZ-CB 4.31Å; F1451-F1517 AromaticContact CZ-CD2 3.96Å; F1451-F1517 HydrophobicContact CZ-CD2 4Å; F1451-N1520 HydrophobicContact CB-CB 4.02Å
1452K88.4Confident84.8Confident107.2 Ų107.246.3 Ų46.347%0.46623%0.234SC..Hα-helixtrans-60.9-51.7169-170.1177.1176.1-179.10111.3F1448 I1449 V1450 L1454 S1455 D1456 N1520F1448-K1452 VanDerWaalsContact O-CB 3.32Å; F1448-K1452 WeakPolarHBondContact O-CB 3.31Å; F1448-K1452 PolarHBondContact O-N 3.13Å; I1449-K1452 WeakPolarHBondContact O-CB 3.42Å; I1449-K1452 PolarHBondContact O-N 3.19Å; V1450-K1452 VanDerWaalsContact C-N 3.3Å; V1450-K1452 PolarHBondContact O-N 3.12Å; K1452-L1454 VanDerWaalsContact C-N 3.27Å; K1452-L1454 PolarHBondContact O-N 3.05Å; K1452-L1454 VanDerWaalsContact O-N 3.11Å; K1452-S1455 CarbonylContact O-C 3.54Å; K1452-S1455 WeakPolarHBondContact O-CA 3.4Å; K1452-S1455 WeakPolarHBondContact O-CB 3.32Å; K1452-S1455 PolarHBondContact O-N 3.21Å; K1452-S1455 VanDerWaalsContact O-N 3.1Å; K1452-D1456 WeakPolarHBondContact O-CB 3.42Å; K1452-D1456 VanDerWaalsContact O-CG 3.26Å; K1452-D1456 PolarHBondContact O-N 3.17Å; K1452-N1520 WeakPolarHBondContact CA-OD1 3.46Å; K1452-N1520 VanDerWaalsContact CB-OD1 3.28Å; K1452-N1520 WeakPolarHBondContact CB-OD1 3.36Å; K1452-N1520 PolarHBondContact N-OD1 2.91Å
1453K87.5Confident84Confident91 Ų9149.7 Ų49.740%0.39625%0.246SC..Hα-helixtrans-54.9-36.8175.5-67.5174.5-170.4-1790112.7I1424 I1449 V1450 D1456 L1457I1424-K1453 HydrophobicContact CD1-CB 4.27Å; I1424-K1453 HydrophobicContact CG1-CB 4.43Å; I1449-K1453 WeakPolarHBondContact O-CG 3.42Å; I1449-K1453 PolarHBondContact O-N 3.12Å; I1449-K1453 VanDerWaalsContact O-N 3.15Å; V1450-K1453 WeakPolarHBondContact O-CB 3.45Å; V1450-K1453 PolarHBondContact O-N 3.07Å; K1453-D1456 PolarHBondContact O-N 2.8Å; K1453-L1457 WeakPolarHBondContact O-CB 3.34Å; K1453-L1457 PolarHBondContact O-N 3.4Å; K1453-L1457 VanDerWaalsContact O-N 3.14Å
1454L88.2Confident83.4Confident0 Ų050.7 Ų50.70%025%0.252CS..Hα-helixtrans-71.2-41.2176.6-176.261.9000112.4I1424 V1450 F1451 K1452 L1457 L1458 L1475 L1479 M1521I1424-L1454 HydrophobicContact CD1-CB 4.28Å; I1424-L1454 HydrophobicContact CD1-CD1 4.27Å; I1424-L1454 HydrophobicContact CG2-CB 4.33Å; I1424-L1454 HydrophobicContact CG2-CD1 4.43Å; V1450-L1454 PolarHBondContact O-N 2.88Å; V1450-L1454 VanDerWaalsContact O-N 3.13Å; F1451-L1454 PolarHBondContact O-N 3.16Å; K1452-L1454 VanDerWaalsContact C-N 3.27Å; K1452-L1454 PolarHBondContact O-N 3.05Å; K1452-L1454 VanDerWaalsContact O-N 3.11Å; L1454-L1457 PolarHBondContact O-N 2.96Å; L1454-L1458 HydrophobicContact CD1-CD1 4.43Å; L1454-L1458 HydrophobicContact CG-CD1 4.2Å; L1454-L1458 WeakPolarHBondContact O-CB 3.37Å; L1454-L1458 WeakPolarHBondContact O-CD1 3.27Å; L1454-L1458 VanDerWaalsContact O-CG 3.31Å; L1454-L1458 WeakPolarHBondContact O-CG 3.37Å; L1454-L1458 PolarHBondContact O-N 3.11Å; L1454-L1475 HydrophobicContact CD1-CD1 4.44Å; L1454-L1475 HydrophobicContact CD1-CD2 3.78Å; L1454-L1475 HydrophobicContact CD2-CD1 4.08Å; L1454-L1475 HydrophobicContact CD2-CD2 4.19Å; L1454-L1479 HydrophobicContact CD2-CD2 4.46Å; L1454-M1521 HydrophobicContact CB-CE 4.21Å; L1454-M1521 HydrophobicContact CD2-CE 3.7Å; L1454-M1521 HydrophobicContact CG-CE 3.81Å
1455S87.2Confident83Confident4.4 Ų4.450.3 Ų50.33%0.03125%0.25CS..Hα-helixtrans-63.3-43.1173.5-174.10000111.3F1451 K1452 L1457 L1458 N1459 N1520 S1529F1451-S1455 WeakPolarHBondContact O-CB 3.27Å; F1451-S1455 PolarHBondContact O-N 3.09Å; K1452-S1455 CarbonylContact O-C 3.54Å; K1452-S1455 WeakPolarHBondContact O-CA 3.4Å; K1452-S1455 WeakPolarHBondContact O-CB 3.32Å; K1452-S1455 PolarHBondContact O-N 3.21Å; K1452-S1455 VanDerWaalsContact O-N 3.1Å; S1455-L1457 VanDerWaalsContact C-N 3.33Å; S1455-L1457 PolarHBondContact O-N 3.28Å; S1455-L1458 CarbonylContact O-C 3.59Å; S1455-L1458 PolarHBondContact O-N 3.08Å; S1455-L1458 VanDerWaalsContact O-N 3.16Å; S1455-N1459 WeakPolarHBondContact O-CB 3.38Å; S1455-N1459 VanDerWaalsContact O-CG 3.27Å; S1455-N1459 PolarHBondContact O-N 2.98Å; S1455-N1459 VanDerWaalsContact O-N 3.14Å; S1455-N1459 PolarHBondContact O-ND2 2.97Å; S1455-N1459 PolarHBondContact OG-ND2 2.95Å; S1455-N1520 VanDerWaalsContact CB-O 3.32Å; S1455-N1520 WeakPolarHBondContact CB-O 3.25Å; S1455-N1520 PolarHBondContact OG-O 3.1Å; S1455-S1529 PolarHBondContact O-OG 3.07Å; S1455-S1529 VanDerWaalsContact O-OG 3.09Å; S1455-S1529 WeakPolarHBondContact OG-CB 3.35Å; S1455-S1529 PolarHBondContact OG-OG 3.1Å
1456D85.4Confident82.7Confident69.2 Ų69.247 Ų4737%0.3723%0.234SC..Hα-helixtrans-61.3-45.8176.7-65.4-32.5000111.2K1452 K1453 L1458 N1459 E1460 K1526K1452-D1456 WeakPolarHBondContact O-CB 3.42Å; K1452-D1456 VanDerWaalsContact O-CG 3.26Å; K1452-D1456 PolarHBondContact O-N 3.17Å; K1453-D1456 PolarHBondContact O-N 2.8Å; D1456-L1458 VanDerWaalsContact C-N 3.3Å; D1456-L1458 PolarHBondContact O-N 3.43Å; D1456-N1459 WeakPolarHBondContact O-CB 3.32Å; D1456-N1459 PolarHBondContact O-N 3.07Å; D1456-E1460 PolarHBondContact O-N 2.87Å; D1456-K1526 IonicContact OD1-NZ 3.07Å; D1456-K1526 PolarHBondContact OD1-NZ 2.93Å
1457L85.2Confident82.2Confident3 Ų344.4 Ų44.42%0.01622%0.224CC..Hα-helixtrans-62.8-39175.8-167.4157.1000112.5R1420 I1421 I1424 K1453 L1454 S1455 N1459 E1460 T1464 I1465R1420-L1457 HydrophobicContact CB-CD1 3.56Å; R1420-L1457 VanDerWaalsContact CB-CD1 3.47Å; R1420-L1457 HydrophobicContact CG-CD1 4.37Å; I1421-L1457 HydrophobicContact CD1-CD2 4.39Å; I1421-L1457 HydrophobicContact CG1-CD1 4.15Å; I1421-L1457 HydrophobicContact CG1-CD2 4.11Å; I1424-L1457 HydrophobicContact CD1-CD1 4.15Å; K1453-L1457 WeakPolarHBondContact O-CB 3.34Å; K1453-L1457 PolarHBondContact O-N 3.4Å; K1453-L1457 VanDerWaalsContact O-N 3.14Å; L1454-L1457 PolarHBondContact O-N 2.96Å; S1455-L1457 VanDerWaalsContact C-N 3.33Å; S1455-L1457 PolarHBondContact O-N 3.28Å; L1457-N1459 VanDerWaalsContact C-N 3.29Å; L1457-N1459 PolarHBondContact O-N 2.98Å; L1457-E1460 PolarHBondContact O-N 2.9Å; L1457-T1464 PolarHBondContact O-OG1 3.28Å; L1457-T1464 VanDerWaalsContact O-OG1 3.11Å; L1457-I1465 HydrophobicContact CD2-CD1 3.53Å; L1457-I1465 VanDerWaalsContact CD2-CD1 3.48Å; L1457-I1465 HydrophobicContact CD2-CG1 3.61Å
1458L83.3Confident81.8Confident4.6 Ų4.649.9 Ų49.92%0.02425%0.246CC..Hα-helixtrans-67.6-19.9172.9-77.4163.6000113.5L1454 S1455 D1456 I1465 M1521 S1529 L1532 L1533L1454-L1458 HydrophobicContact CD1-CD1 4.43Å; L1454-L1458 HydrophobicContact CG-CD1 4.2Å; L1454-L1458 WeakPolarHBondContact O-CB 3.37Å; L1454-L1458 WeakPolarHBondContact O-CD1 3.27Å; L1454-L1458 VanDerWaalsContact O-CG 3.31Å; L1454-L1458 WeakPolarHBondContact O-CG 3.37Å; L1454-L1458 PolarHBondContact O-N 3.11Å; S1455-L1458 CarbonylContact O-C 3.59Å; S1455-L1458 PolarHBondContact O-N 3.08Å; S1455-L1458 VanDerWaalsContact O-N 3.16Å; D1456-L1458 VanDerWaalsContact C-N 3.3Å; D1456-L1458 PolarHBondContact O-N 3.43Å; L1458-I1465 HydrophobicContact CD2-CD1 3.57Å; L1458-I1465 HydrophobicContact CD2-CG1 4.31Å; L1458-I1465 HydrophobicContact CG-CD1 4.07Å; L1458-M1521 HydrophobicContact CD1-CE 3.87Å; L1458-M1521 HydrophobicContact CD1-SD 4.07Å; L1458-S1529 WeakPolarHBondContact CB-OG 3.23Å; L1458-L1532 HydrophobicContact CB-CD2 4.46Å; L1458-L1532 HydrophobicContact CD2-CB 4.44Å; L1458-L1532 HydrophobicContact CD2-CD2 4.07Å; L1458-L1532 HydrophobicContact CD2-CG 4.3Å; L1458-L1532 VanDerWaalsContact O-CD2 3.28Å; L1458-L1532 WeakPolarHBondContact O-CD2 3.28Å; L1458-L1533 HydrophobicContact CD1-CB 4.07Å; L1458-L1533 HydrophobicContact CD1-CD2 4.43Å; L1458-L1533 HydrophobicContact CD2-CB 4.27Å
1459N81Confident81.4Confident67.8 Ų67.846.8 Ų46.836%0.36323%0.232SC..Hα-helixtrans-91.6-13.5178.4-72.9-45.4000113.6S1455 D1456 L1457 G1461 S1529S1455-N1459 WeakPolarHBondContact O-CB 3.38Å; S1455-N1459 VanDerWaalsContact O-CG 3.27Å; S1455-N1459 PolarHBondContact O-N 2.98Å; S1455-N1459 VanDerWaalsContact O-N 3.14Å; S1455-N1459 PolarHBondContact O-ND2 2.97Å; S1455-N1459 PolarHBondContact OG-ND2 2.95Å; D1456-N1459 WeakPolarHBondContact O-CB 3.32Å; D1456-N1459 PolarHBondContact O-N 3.07Å; L1457-N1459 VanDerWaalsContact C-N 3.29Å; L1457-N1459 PolarHBondContact O-N 2.98Å; N1459-G1461 VanDerWaalsContact C-N 3.29Å; N1459-G1461 PolarHBondContact O-N 3.18Å; N1459-G1461 VanDerWaalsContact O-N 3.14Å; N1459-S1529 VanDerWaalsContact CG-OG 3.24Å; N1459-S1529 PolarHBondContact ND2-OG 3.06Å; N1459-S1529 PolarHBondContact OD1-OG 3.03Å
1460E77.3Confident81.2Confident104 Ų10442.4 Ų42.449%0.48621%0.209SC..SBendtrans-65-22.1179.4-77.3171.8-170.600113.6R1420 D1456 L1457 T1464R1420-E1460 IonicContact CZ-OE1 3Å; R1420-E1460 VanDerWaalsContact CZ-OE1 3.27Å; R1420-E1460 IonicContact CZ-OE2 3.03Å; R1420-E1460 IonicContact NH1-OE1 3.3Å; R1420-E1460 PolarHBondContact NH1-OE1 3.12Å; R1420-E1460 IonicContact NH1-OE2 3.79Å; R1420-E1460 PolarHBondContact NH1-OE2 3.11Å; R1420-E1460 IonicContact NH2-OE1 3.21Å; R1420-E1460 PolarHBondContact NH2-OE1 3.06Å; R1420-E1460 IonicContact NH2-OE2 3.24Å; R1420-E1460 PolarHBondContact NH2-OE2 3.11Å; D1456-E1460 PolarHBondContact O-N 2.87Å; L1457-E1460 PolarHBondContact O-N 2.9Å; E1460-T1464 HydrophobicContact CB-CG2 3.74Å; E1460-T1464 VanDerWaalsContact CB-CG2 3.47Å
1461G68.4Low80.7Confident29 Ų2944.2 Ų44.230%0.29922%0.221SC..  trans158.3158170.600000113.6N1459 Q1463 T1464N1459-G1461 VanDerWaalsContact C-N 3.29Å; N1459-G1461 PolarHBondContact O-N 3.18Å; N1459-G1461 VanDerWaalsContact O-N 3.14Å; G1461-Q1463 VanDerWaalsContact C-N 3.26Å; G1461-Q1463 PolarHBondContact O-N 2.95Å; G1461-Q1463 VanDerWaalsContact O-N 3.1Å; G1461-T1464 WeakPolarHBondContact O-CB 3.35Å; G1461-T1464 VanDerWaalsContact O-CG2 3.29Å; G1461-T1464 WeakPolarHBondContact O-CG2 3.41Å; G1461-T1464 PolarHBondContact O-N 2.96Å; G1461-T1464 VanDerWaalsContact O-N 3.13Å; G1461-T1464 PolarHBondContact O-OG1 3.18Å; G1461-T1464 VanDerWaalsContact O-OG1 3.06Å
1462E65.4Low80.3Confident90.8 Ų90.846.9 Ų46.942%0.42424%0.237SC..THydrogen-bonded Turntrans-63.2-23.6-176.1-64.2-170.116000113.5K1528 L1532 R1535 R1536E1462-K1528 IonicContact OE1-NZ 3.7Å; E1462-K1528 PolarHBondContact OE1-NZ 3.36Å; E1462-L1532 HydrophobicContact CB-CD1 4.24Å; E1462-L1532 HydrophobicContact CG-CD1 4.25Å; E1462-R1535 IonicContact OE1-NH1 3.6Å; E1462-R1536 PolarHBondContact O-NE 3.17Å; E1462-R1536 PolarHBondContact O-NH2 3.21Å
1463Q66.2Low80.1Confident123 Ų12342.1 Ų42.158%0.57522%0.217SC*.THydrogen-bonded Turntrans-91.9-0.6179.7-64.2175.616.700114.2S655 P657 R702 K1411 G1461 I1465S655-Q1463 PolarHBondContact O-NE2 2.8Å; P657-Q1463 VanDerWaalsContact CD-OE1 3.23Å; R702-Q1463 PolarHBondContact NH1-O 2.86Å; R702-Q1463 PolarHBondContact NH2-O 3.19Å; K1411-Q1463 PolarHBondContact O-OE1 3.25Å; G1461-Q1463 VanDerWaalsContact C-N 3.26Å; G1461-Q1463 PolarHBondContact O-N 2.95Å; G1461-Q1463 VanDerWaalsContact O-N 3.1Å; Q1463-I1465 VanDerWaalsContact C-N 3.31Å; Q1463-I1465 PolarHBondContact O-N 3.04Å
1464T72.2Confident80Confident23.2 Ų23.238.7 Ų38.714%0.14221%0.208CC..SBendtrans-71.2-24.9-176.258.10000113.9R702 A1417 L1457 E1460 G1461R702-T1464 PolarHBondContact NH2-O 3.08Å; A1417-T1464 WeakPolarHBondContact CB-O 3.26Å; L1457-T1464 PolarHBondContact O-OG1 3.28Å; L1457-T1464 VanDerWaalsContact O-OG1 3.11Å; E1460-T1464 HydrophobicContact CB-CG2 3.74Å; E1460-T1464 VanDerWaalsContact CB-CG2 3.47Å; G1461-T1464 WeakPolarHBondContact O-CB 3.35Å; G1461-T1464 VanDerWaalsContact O-CG2 3.29Å; G1461-T1464 WeakPolarHBondContact O-CG2 3.41Å; G1461-T1464 PolarHBondContact O-N 2.96Å; G1461-T1464 VanDerWaalsContact O-N 3.13Å; G1461-T1464 PolarHBondContact O-OG1 3.18Å; G1461-T1464 VanDerWaalsContact O-OG1 3.06Å
1465I78.5Confident80Confident2.4 Ų2.438.7 Ų38.71%0.01221%0.208CC..SBendtrans-129.9118172.9-42.1-174.9000108.6I1421 L1457 L1458 Q1463 E1469 L1470 R1536I1421-I1465 HydrophobicContact CD1-CB 4.41Å; I1421-I1465 HydrophobicContact CD1-CD1 3.96Å; I1421-I1465 HydrophobicContact CD1-CG1 3.99Å; I1421-I1465 HydrophobicContact CD1-CG2 3.74Å; I1421-I1465 HydrophobicContact CG1-CD1 4.36Å; L1457-I1465 HydrophobicContact CD2-CD1 3.53Å; L1457-I1465 VanDerWaalsContact CD2-CD1 3.48Å; L1457-I1465 HydrophobicContact CD2-CG1 3.61Å; L1458-I1465 HydrophobicContact CD2-CD1 3.57Å; L1458-I1465 HydrophobicContact CD2-CG1 4.31Å; L1458-I1465 HydrophobicContact CG-CD1 4.07Å; Q1463-I1465 VanDerWaalsContact C-N 3.31Å; Q1463-I1465 PolarHBondContact O-N 3.04Å; I1465-E1469 WeakPolarHBondContact CA-OE2 3.48Å; I1465-E1469 HydrophobicContact CG2-CB 4.31Å; I1465-L1470 HydrophobicContact CG2-CB 4.19Å; I1465-L1470 HydrophobicContact CG2-CD1 4.48Å; I1465-R1536 WeakPolarHBondContact O-CD 3.4Å; I1465-R1536 VanDerWaalsContact O-CZ 3.25Å; I1465-R1536 PolarHBondContact O-NE 3.28Å; I1465-R1536 PolarHBondContact O-NH2 2.99Å
1466T81.2Confident80Confident32.2 Ų32.240.4 Ų40.420%0.19822%0.217CC..  trans-82.3162.616769.10000111.2F660 R702 Y1468 E1469 L1470F660-T1466 HydrophobicContact CE2-CG2 3.68Å; F660-T1466 HydrophobicContact CZ-CG2 3.62Å; R702-T1466 HydrophobicContact CB-CG2 4.37Å; R702-T1466 WeakPolarHBondContact O-CB 3.41Å; R702-T1466 WeakPolarHBondContact O-CG2 3.25Å; R702-T1466 PolarHBondContact O-OG1 3.36Å; T1466-Y1468 VanDerWaalsContact C-N 3.29Å; T1466-Y1468 PolarHBondContact O-N 3.17Å; T1466-Y1468 PolarHBondContact OG1-N 3.24Å; T1466-E1469 VanDerWaalsContact CB-OE2 3.25Å; T1466-E1469 WeakPolarHBondContact CB-OE2 3.2Å; T1466-E1469 VanDerWaalsContact CG2-OE2 3.3Å; T1466-E1469 WeakPolarHBondContact CG2-OE2 3.41Å; T1466-E1469 PolarHBondContact N-OE2 3.13Å; T1466-E1469 PolarHBondContact O-N 3.21Å; T1466-E1469 WeakPolarHBondContact OG1-CB 3.42Å; T1466-E1469 VanDerWaalsContact OG1-CG 3.28Å; T1466-E1469 WeakPolarHBondContact OG1-CG 3.36Å; T1466-E1469 PolarHBondContact OG1-N 2.9Å; T1466-E1469 VanDerWaalsContact OG1-N 3.14Å; T1466-E1469 PolarHBondContact OG1-OE2 3.12Å; T1466-L1470 WeakPolarHBondContact O-CB 3.34Å; T1466-L1470 PolarHBondContact O-N 3.18Å; T1466-L1470 VanDerWaalsContact O-N 3.13Å
1467A80.7Confident80Confident8.4 Ų8.442.4 Ų42.47%0.06922%0.223CC..Hα-helixtrans-62-30.8173.800000112.8L1470 T1471 Q1539 A1540 L1543A1467-L1470 WeakPolarHBondContact O-CB 3.45Å; A1467-L1470 PolarHBondContact O-N 3.05Å; A1467-T1471 WeakPolarHBondContact O-CG2 3.32Å; A1467-T1471 PolarHBondContact O-N 3.1Å; A1467-T1471 VanDerWaalsContact O-N 3.1Å; A1467-T1471 PolarHBondContact O-OG1 2.93Å; A1467-Q1539 HydrophobicContact CB-CB 3.87Å; A1467-A1540 HydrophobicContact CB-CB 4.32Å; A1467-L1543 HydrophobicContact CB-CD1 3.71Å; A1467-L1543 HydrophobicContact CB-CG 4.28Å
1468Y80.4Confident80.2Confident114.4 Ų114.442.2 Ų42.245%0.44922%0.223SC..Hα-helixtrans-70.3-41.8175.1178.1-99.8000112.6Y701 G704 P707 T1466 L1470 T1471 T1472Y701-Y1468 WeakPolarHBondContact O-CD1 3.43Å; Y701-Y1468 WeakPolarHBondContact O-CE1 3.3Å; G704-Y1468 VanDerWaalsContact CA-CD1 3.48Å; P707-Y1468 HydrophobicContact CG-CE2 3.98Å; P707-Y1468 VanDerWaalsContact CG-OH 3.31Å; P707-Y1468 WeakPolarHBondContact CG-OH 3.33Å; T1466-Y1468 VanDerWaalsContact C-N 3.29Å; T1466-Y1468 PolarHBondContact O-N 3.17Å; T1466-Y1468 PolarHBondContact OG1-N 3.24Å; Y1468-L1470 VanDerWaalsContact C-N 3.29Å; Y1468-L1470 PolarHBondContact O-N 2.83Å; Y1468-T1471 WeakPolarHBondContact CA-OG1 3.33Å; Y1468-T1471 PolarHBondContact O-N 3.15Å; Y1468-T1471 PolarHBondContact O-OG1 3.2Å; Y1468-T1472 HydrophobicContact CD1-CG2 4.44Å; Y1468-T1472 HydrophobicContact CD2-CG2 4.14Å; Y1468-T1472 HydrophobicContact CE1-CG2 4.09Å; Y1468-T1472 HydrophobicContact CE2-CG2 3.7Å; Y1468-T1472 HydrophobicContact CG-CG2 4.42Å; Y1468-T1472 WeakPolarHBondContact O-CB 3.36Å; Y1468-T1472 WeakPolarHBondContact O-CG2 3.42Å; Y1468-T1472 PolarHBondContact O-N 3.26Å; Y1468-T1472 PolarHBondContact O-OG1 3.22Å
1469E81.6Confident80.4Confident7.4 Ų7.442.7 Ų42.74%0.03523%0.225CC..Hα-helixtrans-66.8-34.3174.1-68.4160.9143.300111.2R702 P1414 L1418 I1421 I1465 T1466 T1472 S1473R702-E1469 WeakPolarHBondContact CG-OE1 3.43Å; R702-E1469 IonicContact CZ-OE1 2.65Å; R702-E1469 IonicContact CZ-OE2 2.67Å; R702-E1469 IonicContact NE-OE1 3.04Å; R702-E1469 PolarHBondContact NE-OE1 3.05Å; R702-E1469 IonicContact NE-OE2 3.58Å; R702-E1469 IonicContact NH2-OE1 2.64Å; R702-E1469 PolarHBondContact NH2-OE1 3.31Å; R702-E1469 IonicContact NH2-OE2 3.33Å; R702-E1469 PolarHBondContact NH2-OE2 3.24Å; P1414-E1469 VanDerWaalsContact CA-OE1 3.23Å; P1414-E1469 WeakPolarHBondContact CA-OE1 3.44Å; P1414-E1469 VanDerWaalsContact CB-OE1 3.25Å; P1414-E1469 WeakPolarHBondContact CB-OE1 3.22Å; P1414-E1469 VanDerWaalsContact O-OE1 3.08Å; L1418-E1469 HydrophobicContact CB-CG 4.28Å; L1418-E1469 HydrophobicContact CD1-CB 4.27Å; L1418-E1469 HydrophobicContact CD1-CG 4.42Å; I1421-E1469 HydrophobicContact CD1-CB 4.48Å; I1465-E1469 WeakPolarHBondContact CA-OE2 3.48Å; I1465-E1469 HydrophobicContact CG2-CB 4.31Å; T1466-E1469 VanDerWaalsContact CB-OE2 3.25Å; T1466-E1469 WeakPolarHBondContact CB-OE2 3.2Å; T1466-E1469 VanDerWaalsContact CG2-OE2 3.3Å; T1466-E1469 WeakPolarHBondContact CG2-OE2 3.41Å; T1466-E1469 PolarHBondContact N-OE2 3.13Å; T1466-E1469 PolarHBondContact O-N 3.21Å; T1466-E1469 WeakPolarHBondContact OG1-CB 3.42Å; T1466-E1469 VanDerWaalsContact OG1-CG 3.28Å; T1466-E1469 WeakPolarHBondContact OG1-CG 3.36Å; T1466-E1469 PolarHBondContact OG1-N 2.9Å; T1466-E1469 VanDerWaalsContact OG1-N 3.14Å; T1466-E1469 PolarHBondContact OG1-OE2 3.12Å; E1469-T1472 PolarHBondContact O-N 2.92Å; E1469-T1472 PolarHBondContact O-OG1 3.33Å; E1469-S1473 WeakPolarHBondContact O-CB 3.38Å; E1469-S1473 PolarHBondContact O-N 3.09Å; E1469-S1473 VanDerWaalsContact O-N 3.17Å; E1469-S1473 PolarHBondContact O-OG 2.96Å
1470L84.4Confident80.7Confident1 Ų142.7 Ų42.71%0.00523%0.225CC..Hα-helixtrans-65-44.4175.6-173.564000112.4I1465 T1466 A1467 Y1468 S1473 L1475 I1476 L1533 R1536 L1537 A1540I1465-L1470 HydrophobicContact CG2-CB 4.19Å; I1465-L1470 HydrophobicContact CG2-CD1 4.48Å; T1466-L1470 WeakPolarHBondContact O-CB 3.34Å; T1466-L1470 PolarHBondContact O-N 3.18Å; T1466-L1470 VanDerWaalsContact O-N 3.13Å; A1467-L1470 WeakPolarHBondContact O-CB 3.45Å; A1467-L1470 PolarHBondContact O-N 3.05Å; Y1468-L1470 VanDerWaalsContact C-N 3.29Å; Y1468-L1470 PolarHBondContact O-N 2.83Å; L1470-S1473 PolarHBondContact O-OG 2.98Å; L1470-L1475 HydrophobicContact CD1-CB 4.33Å; L1470-L1475 HydrophobicContact CD1-CD2 3.82Å; L1470-L1475 HydrophobicContact CD1-CG 4.45Å; L1470-I1476 HydrophobicContact CD1-CG1 4.47Å; L1470-I1476 HydrophobicContact CG-CD1 4.31Å; L1470-I1476 HydrophobicContact CG-CG1 4.23Å; L1470-L1533 HydrophobicContact CD1-CD1 4.35Å; L1470-R1536 VanDerWaalsContact CD2-C 3.43Å; L1470-R1536 HydrophobicContact CD2-CB 3.84Å; L1470-R1536 WeakPolarHBondContact CD2-O 3.42Å; L1470-L1537 HydrophobicContact CD2-CB 4.45Å; L1470-L1537 HydrophobicContact CD2-CD2 3.9Å; L1470-L1537 HydrophobicContact CD2-CG 4Å; L1470-A1540 HydrophobicContact CD2-CB 4.28Å
1471T81.6Confident81.2Confident44.4 Ų44.438.2 Ų38.227%0.27220%0.204SC..Hα-helixtrans-71.3-40.4177.950.40000112.8A1467 Y1468 S1473 I1476 A1540 T1544A1467-T1471 WeakPolarHBondContact O-CG2 3.32Å; A1467-T1471 PolarHBondContact O-N 3.1Å; A1467-T1471 VanDerWaalsContact O-N 3.1Å; A1467-T1471 PolarHBondContact O-OG1 2.93Å; Y1468-T1471 WeakPolarHBondContact CA-OG1 3.33Å; Y1468-T1471 PolarHBondContact O-N 3.15Å; Y1468-T1471 PolarHBondContact O-OG1 3.2Å; T1471-S1473 PolarHBondContact O-N 3.04Å; T1471-I1476 HydrophobicContact CG2-CD1 4.18Å; T1471-A1540 HydrophobicContact CG2-CB 3.65Å; T1471-T1544 HydrophobicContact CG2-CG2 4.41Å
1472T82.8Confident82Confident57 Ų5736.8 Ų36.835%0.3519%0.19SC..Hα-helixtrans-83.3-13-177.358.10000115.1Y1468 E1469 G1474Y1468-T1472 HydrophobicContact CD1-CG2 4.44Å; Y1468-T1472 HydrophobicContact CD2-CG2 4.14Å; Y1468-T1472 HydrophobicContact CE1-CG2 4.09Å; Y1468-T1472 HydrophobicContact CE2-CG2 3.7Å; Y1468-T1472 HydrophobicContact CG-CG2 4.42Å; Y1468-T1472 WeakPolarHBondContact O-CB 3.36Å; Y1468-T1472 WeakPolarHBondContact O-CG2 3.42Å; Y1468-T1472 PolarHBondContact O-N 3.26Å; Y1468-T1472 PolarHBondContact O-OG1 3.22Å; E1469-T1472 PolarHBondContact O-N 2.92Å; E1469-T1472 PolarHBondContact O-OG1 3.33Å; T1472-G1474 VanDerWaalsContact C-N 3.35Å; T1472-G1474 PolarHBondContact O-N 3.3Å
1473S84.1Confident83Confident6.4 Ų6.433.9 Ų33.95%0.04518%0.177CC..THydrogen-bonded Turntrans-76.6-20.3179.559.80000114.9I1421 E1469 L1470 T1471 L1475I1421-S1473 VanDerWaalsContact CG2-CB 3.49Å; I1421-S1473 WeakPolarHBondContact CG2-OG 3.31Å; E1469-S1473 WeakPolarHBondContact O-CB 3.38Å; E1469-S1473 PolarHBondContact O-N 3.09Å; E1469-S1473 VanDerWaalsContact O-N 3.17Å; E1469-S1473 PolarHBondContact O-OG 2.96Å; L1470-S1473 PolarHBondContact O-OG 2.98Å; T1471-S1473 PolarHBondContact O-N 3.04Å; S1473-L1475 VanDerWaalsContact C-N 3.33Å; S1473-L1475 VanDerWaalsContact OG-CB 3.28Å; S1473-L1475 WeakPolarHBondContact OG-CB 3.31Å; S1473-L1475 PolarHBondContact OG-N 3.03Å; S1473-L1475 VanDerWaalsContact OG-N 3.11Å
1474G84.8Confident83.8Confident20 Ų2029.2 Ų29.221%0.20616%0.158CC..THydrogen-bonded Turntrans83.93.7-170.900000114.8T1472 I1476 Q1477 V1478T1472-G1474 VanDerWaalsContact C-N 3.35Å; T1472-G1474 PolarHBondContact O-N 3.3Å; G1474-I1476 VanDerWaalsContact C-N 3.35Å; G1474-I1476 PolarHBondContact O-N 3.16Å; G1474-Q1477 VanDerWaalsContact C-OE1 3.24Å; G1474-Q1477 VanDerWaalsContact CA-OE1 3.27Å; G1474-Q1477 PolarHBondContact O-N 3.12Å; G1474-Q1477 PolarHBondContact O-OE1 3.29Å; G1474-V1478 PolarHBondContact O-N 3.31Å
1475L88.5Confident84.1Confident0 Ų031.7 Ų31.70%017%0.173CC..Hα-helixtrans-66.3-35.2-175-17662.7000113.1I1421 V1425 L1454 L1470 S1473 Q1477 V1478 L1479I1421-L1475 HydrophobicContact CG2-CB 4.03Å; I1421-L1475 HydrophobicContact CG2-CD2 4.03Å; I1421-L1475 HydrophobicContact CG2-CG 4.41Å; V1425-L1475 HydrophobicContact CG2-CB 3.93Å; V1425-L1475 HydrophobicContact CG2-CD1 4.04Å; L1454-L1475 HydrophobicContact CD1-CD1 4.44Å; L1454-L1475 HydrophobicContact CD1-CD2 3.78Å; L1454-L1475 HydrophobicContact CD2-CD1 4.08Å; L1454-L1475 HydrophobicContact CD2-CD2 4.19Å; L1470-L1475 HydrophobicContact CD1-CB 4.33Å; L1470-L1475 HydrophobicContact CD1-CD2 3.82Å; L1470-L1475 HydrophobicContact CD1-CG 4.45Å; S1473-L1475 VanDerWaalsContact C-N 3.33Å; S1473-L1475 VanDerWaalsContact OG-CB 3.28Å; S1473-L1475 WeakPolarHBondContact OG-CB 3.31Å; S1473-L1475 PolarHBondContact OG-N 3.03Å; S1473-L1475 VanDerWaalsContact OG-N 3.11Å; L1475-Q1477 VanDerWaalsContact C-N 3.34Å; L1475-Q1477 PolarHBondContact O-N 3.33Å; L1475-V1478 PolarHBondContact O-N 2.96Å; L1475-L1479 HydrophobicContact CD1-CD1 4.26Å; L1475-L1479 HydrophobicContact CD1-CD2 4.43Å; L1475-L1479 HydrophobicContact CD1-CG 4.08Å; L1475-L1479 HydrophobicContact CD2-CD1 4.39Å; L1475-L1479 HydrophobicContact CG-CD1 3.91Å; L1475-L1479 HydrophobicContact CG-CG 4.18Å; L1475-L1479 WeakPolarHBondContact O-CB 3.24Å; L1475-L1479 VanDerWaalsContact O-CG 3.3Å; L1475-L1479 WeakPolarHBondContact O-CG 3.3Å; L1475-L1479 PolarHBondContact O-N 3.12Å
1476I86.9Confident84Confident40.6 Ų40.635.2 Ų35.221%0.20820%0.202CC..Hα-helixtrans-63-45.6-179-55.5179.6000110.4L1470 T1471 G1474 V1478 L1479 L1480 L1537 A1540L1470-I1476 HydrophobicContact CD1-CG1 4.47Å; L1470-I1476 HydrophobicContact CG-CD1 4.31Å; L1470-I1476 HydrophobicContact CG-CG1 4.23Å; T1471-I1476 HydrophobicContact CG2-CD1 4.18Å; G1474-I1476 VanDerWaalsContact C-N 3.35Å; G1474-I1476 PolarHBondContact O-N 3.16Å; I1476-V1478 VanDerWaalsContact C-N 3.33Å; I1476-V1478 PolarHBondContact O-N 3.03Å; I1476-L1479 PolarHBondContact O-N 3.04Å; I1476-L1480 HydrophobicContact CG2-CD1 4.39Å; I1476-L1480 WeakPolarHBondContact O-CB 3.32Å; I1476-L1480 PolarHBondContact O-N 3.19Å; I1476-L1537 HydrophobicContact CD1-CD2 4.13Å; I1476-L1537 HydrophobicContact CG1-CD2 3.97Å; I1476-A1540 HydrophobicContact CD1-CB 4.35Å
1477Q86.1Confident83.7Confident110 Ų11037.6 Ų37.651%0.51421%0.208SC..Hα-helixtrans-62.7-41.5178.9-6382.7-13.900111.3G1474 L1475 L1480 L1481G1474-Q1477 VanDerWaalsContact C-OE1 3.24Å; G1474-Q1477 VanDerWaalsContact CA-OE1 3.27Å; G1474-Q1477 PolarHBondContact O-N 3.12Å; G1474-Q1477 PolarHBondContact O-OE1 3.29Å; L1475-Q1477 VanDerWaalsContact C-N 3.34Å; L1475-Q1477 PolarHBondContact O-N 3.33Å; Q1477-L1480 WeakPolarHBondContact O-CB 3.37Å; Q1477-L1480 PolarHBondContact O-N 2.91Å; Q1477-L1481 WeakPolarHBondContact O-CB 3.45Å; Q1477-L1481 PolarHBondContact O-N 3.12Å
1478V88.3Confident83.4Confident0.6 Ų0.637.5 Ų37.50%0.00421%0.207CC..Hα-helixtrans-71.9-39.3179.3166.10000112.8V1425 I1428 W1429 G1474 L1475 I1476 L1480 L1481 C1482V1425-V1478 HydrophobicContact CG1-CG2 3.94Å; V1425-V1478 HydrophobicContact CG2-CG2 4.45Å; I1428-V1478 HydrophobicContact CB-CG1 3.5Å; I1428-V1478 VanDerWaalsContact CB-CG1 3.48Å; I1428-V1478 HydrophobicContact CD1-CG1 3.57Å; I1428-V1478 HydrophobicContact CG1-CG1 4.09Å; I1428-V1478 HydrophobicContact CG2-CG1 3.42Å; I1428-V1478 VanDerWaalsContact CG2-CG1 3.44Å; W1429-V1478 VanDerWaalsContact CD1-CG2 3.49Å; W1429-V1478 HydrophobicContact CG-CG2 4.38Å; W1429-V1478 VanDerWaalsContact NE1-CG2 3.3Å; G1474-V1478 PolarHBondContact O-N 3.31Å; L1475-V1478 PolarHBondContact O-N 2.96Å; I1476-V1478 VanDerWaalsContact C-N 3.33Å; I1476-V1478 PolarHBondContact O-N 3.03Å; V1478-L1480 VanDerWaalsContact C-N 3.3Å; V1478-L1480 PolarHBondContact O-N 3.06Å; V1478-L1481 WeakPolarHBondContact O-CB 3.32Å; V1478-L1481 PolarHBondContact O-N 2.98Å; V1478-C1482 WeakPolarHBondContact O-CB 3.41Å; V1478-C1482 PolarHBondContact O-N 3.08Å; V1478-C1482 VanDerWaalsContact O-N 3.08Å; V1478-C1482 PolarHBondContact O-SG 3.02Å
1479L89.1Confident82.9Confident14.4 Ų14.435 Ų358%0.07522%0.216CC..Hα-helixtrans-64.6-36.8172-70.8175.1000111.1F1451 L1454 L1475 I1476 C1482 L1483 F1517 L1533F1451-L1479 HydrophobicContact CE1-CD2 4.11Å; L1454-L1479 HydrophobicContact CD2-CD2 4.46Å; L1475-L1479 HydrophobicContact CD1-CD1 4.26Å; L1475-L1479 HydrophobicContact CD1-CD2 4.43Å; L1475-L1479 HydrophobicContact CD1-CG 4.08Å; L1475-L1479 HydrophobicContact CD2-CD1 4.39Å; L1475-L1479 HydrophobicContact CG-CD1 3.91Å; L1475-L1479 HydrophobicContact CG-CG 4.18Å; L1475-L1479 WeakPolarHBondContact O-CB 3.24Å; L1475-L1479 VanDerWaalsContact O-CG 3.3Å; L1475-L1479 WeakPolarHBondContact O-CG 3.3Å; L1475-L1479 PolarHBondContact O-N 3.12Å; I1476-L1479 PolarHBondContact O-N 3.04Å; L1479-C1482 PolarHBondContact O-N 3.07Å; L1479-L1483 HydrophobicContact CB-CD1 4.48Å; L1479-L1483 HydrophobicContact CD2-CD1 4.2Å; L1479-L1483 VanDerWaalsContact O-CB 3.27Å; L1479-L1483 WeakPolarHBondContact O-CB 3.31Å; L1479-L1483 WeakPolarHBondContact O-CG 3.41Å; L1479-L1483 PolarHBondContact O-N 3.18Å; L1479-F1517 HydrophobicContact CD2-CD2 4.24Å; L1479-F1517 HydrophobicContact CD2-CE2 3.66Å; L1479-F1517 HydrophobicContact CD2-CZ 4.39Å; L1479-L1533 HydrophobicContact CD1-CD2 4.37Å
1480L87.4Confident82.8Confident67.4 Ų67.439.8 Ų39.835%0.35324%0.238SC..Hα-helixtrans-62.4-46.4172.9-144.488.3000111.8I1476 Q1477 V1478 C1482 L1483 S1484 Y1487I1476-L1480 HydrophobicContact CG2-CD1 4.39Å; I1476-L1480 WeakPolarHBondContact O-CB 3.32Å; I1476-L1480 PolarHBondContact O-N 3.19Å; Q1477-L1480 WeakPolarHBondContact O-CB 3.37Å; Q1477-L1480 PolarHBondContact O-N 2.91Å; V1478-L1480 VanDerWaalsContact C-N 3.3Å; V1478-L1480 PolarHBondContact O-N 3.06Å; L1480-C1482 VanDerWaalsContact C-N 3.29Å; L1480-C1482 PolarHBondContact O-N 3.25Å; L1480-L1483 PolarHBondContact O-N 3.16Å; L1480-S1484 WeakPolarHBondContact O-CA 3.43Å; L1480-S1484 WeakPolarHBondContact O-CB 3.37Å; L1480-S1484 PolarHBondContact O-N 3.24Å; L1480-Y1487 HydrophobicContact CB-CD2 4.08Å; L1480-Y1487 HydrophobicContact CB-CE2 4Å; L1480-Y1487 HydrophobicContact CD2-CD2 4.22Å; L1480-Y1487 HydrophobicContact CD2-CE2 3.59Å; L1480-Y1487 HydrophobicContact CG-CD2 4.13Å; L1480-Y1487 HydrophobicContact CG-CE2 3.87Å
1481L86.3Confident82.6Confident10.2 Ų10.240.2 Ų40.25%0.05324%0.24CC..Hα-helixtrans-57.8-37.8175.4177.763.9000112.3W1429 F1432 Q1477 V1478 Y1487 H1490 W1491 R1513W1429-L1481 HydrophobicContact CD2-CD2 4.39Å; W1429-L1481 HydrophobicContact CE3-CD2 4.03Å; W1429-L1481 HydrophobicContact CH2-CD2 3.72Å; W1429-L1481 HydrophobicContact CZ2-CD2 4.1Å; W1429-L1481 HydrophobicContact CZ3-CD2 3.68Å; F1432-L1481 HydrophobicContact CB-CD2 4.43Å; F1432-L1481 HydrophobicContact CD1-CD2 4.06Å; F1432-L1481 HydrophobicContact CD2-CD1 4.4Å; F1432-L1481 HydrophobicContact CD2-CD2 4.27Å; F1432-L1481 HydrophobicContact CD2-CG 4.4Å; F1432-L1481 HydrophobicContact CE1-CD2 4.39Å; F1432-L1481 HydrophobicContact CE2-CD1 4.06Å; F1432-L1481 HydrophobicContact CE2-CD2 4.44Å; F1432-L1481 HydrophobicContact CE2-CG 4.46Å; F1432-L1481 HydrophobicContact CG-CD2 3.97Å; F1432-L1481 HydrophobicContact CZ-CD1 4.19Å; Q1477-L1481 WeakPolarHBondContact O-CB 3.45Å; Q1477-L1481 PolarHBondContact O-N 3.12Å; V1478-L1481 WeakPolarHBondContact O-CB 3.32Å; V1478-L1481 PolarHBondContact O-N 2.98Å; L1481-Y1487 HydrophobicContact CD1-CD1 4.1Å; L1481-Y1487 HydrophobicContact CD1-CG 4.4Å; L1481-H1490 HydrophobicContact CD1-CB 4.36Å; L1481-W1491 HydrophobicContact CG-CZ2 4.34Å; L1481-W1491 PolarHBondContact O-NE1 3.21Å; L1481-R1513 PolarHBondContact O-NH1 2.83Å
1482C85.1Confident82.1Confident0 Ų042.4 Ų42.40%025%0.246CC..Hα-helixtrans-85.2-29-177.4-1030000114.8I1428 F1451 V1478 L1479 L1480 W1491 R1513I1428-C1482 WeakPolarHBondContact CG2-SG 3.44Å; F1451-C1482 HydrophobicContact CZ-CB 4.37Å; V1478-C1482 WeakPolarHBondContact O-CB 3.41Å; V1478-C1482 PolarHBondContact O-N 3.08Å; V1478-C1482 VanDerWaalsContact O-N 3.08Å; V1478-C1482 PolarHBondContact O-SG 3.02Å; L1479-C1482 PolarHBondContact O-N 3.07Å; L1480-C1482 VanDerWaalsContact C-N 3.29Å; L1480-C1482 PolarHBondContact O-N 3.25Å; C1482-W1491 HydrophobicContact CB-CZ2 4.28Å; C1482-R1513 PolarHBondContact O-NH1 3.11Å; C1482-R1513 VanDerWaalsContact O-NH1 3.11Å
1483L87Confident81.3Confident28.8 Ų28.841.1 Ų41.115%0.15124%0.24CC..Hα-helixtrans-121.4-14.1-165.9-55.2174.9000114.7L1479 L1480 R1514 F1517L1479-L1483 HydrophobicContact CB-CD1 4.48Å; L1479-L1483 HydrophobicContact CD2-CD1 4.2Å; L1479-L1483 VanDerWaalsContact O-CB 3.27Å; L1479-L1483 WeakPolarHBondContact O-CB 3.31Å; L1479-L1483 WeakPolarHBondContact O-CG 3.41Å; L1479-L1483 PolarHBondContact O-N 3.18Å; L1480-L1483 PolarHBondContact O-N 3.16Å; L1483-R1514 HydrophobicContact CD2-CG 4.06Å; L1483-R1514 VanDerWaalsContact O-CZ 3.27Å; L1483-R1514 PolarHBondContact O-NE 3.07Å; L1483-R1514 PolarHBondContact O-NH2 3.07Å; L1483-F1517 HydrophobicContact CD1-CB 4.46Å; L1483-F1517 HydrophobicContact CD1-CD1 3.8Å; L1483-F1517 HydrophobicContact CD1-CD2 3.98Å; L1483-F1517 HydrophobicContact CD1-CE1 3.9Å; L1483-F1517 HydrophobicContact CD1-CE2 4.08Å; L1483-F1517 HydrophobicContact CD1-CG 3.84Å; L1483-F1517 HydrophobicContact CD1-CZ 4.03Å; L1483-F1517 HydrophobicContact CD2-CB 3.81Å; L1483-F1517 HydrophobicContact CD2-CD1 4.39Å; L1483-F1517 HydrophobicContact CD2-CG 4.04Å
1484S83.7Confident80.1Confident24.2 Ų24.244.1 Ų44.117%0.16925%0.253CS..  trans-86144.4-179.6-172.20000113L1480 A1486 Y1487 A1488 L1510L1480-S1484 WeakPolarHBondContact O-CA 3.43Å; L1480-S1484 WeakPolarHBondContact O-CB 3.37Å; L1480-S1484 PolarHBondContact O-N 3.24Å; S1484-A1486 VanDerWaalsContact C-N 3.27Å; S1484-A1486 PolarHBondContact O-N 3.27Å; S1484-A1486 WeakPolarHBondContact OG-CB 3.37Å; S1484-A1486 PolarHBondContact OG-N 3.2Å; S1484-A1486 VanDerWaalsContact OG-N 3.09Å; S1484-Y1487 PolarHBondContact O-N 3.05Å; S1484-A1488 PolarHBondContact O-N 3.05Å; S1484-L1510 VanDerWaalsContact O-CD1 3.31Å; S1484-L1510 WeakPolarHBondContact O-CD1 3.44Å
1485V78.6Confident78.7Confident75.4 Ų75.451.1 Ų51.146%0.45728%0.284SS..G310 helixtrans-61.9-36.3170.3-170.10000110.9E1253 Y1487 A1488 L1507 L1510E1253-V1485 HydrophobicContact CG-CG1 4.09Å; E1253-V1485 HydrophobicContact CG-CG2 4Å; E1253-V1485 WeakPolarHBondContact OE1-CG1 3.32Å; E1253-V1485 WeakPolarHBondContact OE1-CG2 3.41Å; E1253-V1485 WeakPolarHBondContact OE2-CG2 3.46Å; V1485-Y1487 PolarHBondContact O-N 3.11Å; V1485-Y1487 VanDerWaalsContact O-N 3.13Å; V1485-A1488 VanDerWaalsContact O-CB 3.25Å; V1485-A1488 WeakPolarHBondContact O-CB 3.37Å; V1485-A1488 PolarHBondContact O-N 3.04Å; V1485-A1488 VanDerWaalsContact O-N 3.11Å; V1485-L1507 HydrophobicContact CG1-CD2 4.35Å; V1485-L1510 HydrophobicContact CB-CD2 4.26Å; V1485-L1510 HydrophobicContact CG2-CD2 3.94Å; V1485-L1510 VanDerWaalsContact CG2-CD2 3.45Å
1486A74.7Confident77.2Confident75.8 Ų75.853.8 Ų53.863%0.62630%0.296SS*.G310 helixtrans-61.4-26.5-178.300000113.4S1484S1484-A1486 VanDerWaalsContact C-N 3.27Å; S1484-A1486 PolarHBondContact O-N 3.27Å; S1484-A1486 WeakPolarHBondContact OG-CB 3.37Å; S1484-A1486 PolarHBondContact OG-N 3.2Å; S1484-A1486 VanDerWaalsContact OG-N 3.09Å
1487Y76.4Confident75.5Confident83.4 Ų83.458.2 Ų58.233%0.32733%0.33SS..G310 helixtrans-107.16.5178-66-70.8000113.4L1480 L1481 S1484 V1485 G1489 H1490L1480-Y1487 HydrophobicContact CB-CD2 4.08Å; L1480-Y1487 HydrophobicContact CB-CE2 4Å; L1480-Y1487 HydrophobicContact CD2-CD2 4.22Å; L1480-Y1487 HydrophobicContact CD2-CE2 3.59Å; L1480-Y1487 HydrophobicContact CG-CD2 4.13Å; L1480-Y1487 HydrophobicContact CG-CE2 3.87Å; L1481-Y1487 HydrophobicContact CD1-CD1 4.1Å; L1481-Y1487 HydrophobicContact CD1-CG 4.4Å; S1484-Y1487 PolarHBondContact O-N 3.05Å; V1485-Y1487 PolarHBondContact O-N 3.11Å; V1485-Y1487 VanDerWaalsContact O-N 3.13Å; Y1487-G1489 VanDerWaalsContact C-N 3.3Å; Y1487-G1489 PolarHBondContact O-N 3.08Å; Y1487-H1490 AromaticContact CD1-CD2 3.79Å; Y1487-H1490 AromaticContact CD1-NE2 3.88Å; Y1487-H1490 WeakPolarHBondContact O-CB 3.34Å; Y1487-H1490 PolarHBondContact O-N 3.41Å; Y1487-H1490 VanDerWaalsContact O-N 3.12Å
1488A74.4Confident73.8Confident5.8 Ų5.859.6 Ų59.65%0.04834%0.338CS..G310 helixtrans-57.4-44.4-179.600000111.7S1484 V1485 H1490 W1491 L1506 L1510S1484-A1488 PolarHBondContact O-N 3.05Å; V1485-A1488 VanDerWaalsContact O-CB 3.25Å; V1485-A1488 WeakPolarHBondContact O-CB 3.37Å; V1485-A1488 PolarHBondContact O-N 3.04Å; V1485-A1488 VanDerWaalsContact O-N 3.11Å; A1488-H1490 PolarHBondContact O-N 3.19Å; A1488-H1490 VanDerWaalsContact O-N 3.12Å; A1488-W1491 PolarHBondContact O-N 3.01Å; A1488-W1491 VanDerWaalsContact O-N 3.15Å; A1488-L1506 HydrophobicContact CB-CD2 4.13Å; A1488-L1506 HydrophobicContact CB-CG 4.11Å; A1488-L1506 WeakPolarHBondContact O-CD1 3.28Å; A1488-L1506 WeakPolarHBondContact O-CD2 3.43Å; A1488-L1510 HydrophobicContact CB-CB 4.5Å; A1488-L1510 HydrophobicContact CB-CD1 4.42Å; A1488-L1510 HydrophobicContact CB-CD2 4.24Å
1489G69.5Low72Confident61.4 Ų61.469.5 Ų69.563%0.63339%0.385SS*.G310 helixtrans-66.9-3-179.500000116.4Y1487Y1487-G1489 VanDerWaalsContact C-N 3.3Å; Y1487-G1489 PolarHBondContact O-N 3.08Å
1490H78.8Confident70.5Confident109.4 Ų109.472.3 Ų72.351%0.50640%0.399SS..G310 helixtrans-88.8-13.5174.4-70.7-78.7000113.6F1432 L1481 Y1487 A1488F1432-H1490 HydrophobicContact CE2-CB 4.05Å; F1432-H1490 VanDerWaalsContact CE2-O 3.26Å; F1432-H1490 WeakPolarHBondContact CE2-O 3.41Å; F1432-H1490 HydrophobicContact CZ-CB 3.97Å; F1432-H1490 WeakPolarHBondContact CZ-O 3.27Å; L1481-H1490 HydrophobicContact CD1-CB 4.36Å; Y1487-H1490 AromaticContact CD1-CD2 3.79Å; Y1487-H1490 AromaticContact CD1-NE2 3.88Å; Y1487-H1490 WeakPolarHBondContact O-CB 3.34Å; Y1487-H1490 PolarHBondContact O-N 3.41Å; Y1487-H1490 VanDerWaalsContact O-N 3.12Å; A1488-H1490 PolarHBondContact O-N 3.19Å; A1488-H1490 VanDerWaalsContact O-N 3.12Å
1491W80.2Confident69.5Low9.4 Ų9.474.3 Ų74.34%0.03641%0.41CS..SBendtrans-93.9148.4-178.2-68.270.6000111.3F1432 D1435 T1443 L1447 L1481 C1482 A1488 C1493 Y1509 R1513F1432-W1491 HydrophobicContact CB-CH2 4.06Å; F1432-W1491 HydrophobicContact CB-CZ2 4.21Å; F1432-W1491 HydrophobicContact CB-CZ3 4.47Å; F1432-W1491 AromaticContact CD2-CD2 3.74Å; F1432-W1491 HydrophobicContact CD2-CD2 3.74Å; F1432-W1491 AromaticContact CD2-CE2 3.47Å; F1432-W1491 VanDerWaalsContact CD2-CE2 3.46Å; F1432-W1491 HydrophobicContact CD2-CE3 4.16Å; F1432-W1491 HydrophobicContact CD2-CG 4.21Å; F1432-W1491 HydrophobicContact CD2-CH2 4.12Å; F1432-W1491 AromaticContact CD2-CZ2 3.7Å; F1432-W1491 HydrophobicContact CD2-CZ2 3.7Å; F1432-W1491 HydrophobicContact CD2-CZ3 4.33Å; F1432-W1491 AromaticContact CD2-NE1 3.8Å; F1432-W1491 AromaticContact CE2-CD1 3.94Å; F1432-W1491 HydrophobicContact CE2-CD2 4.15Å; F1432-W1491 AromaticContact CE2-CE2 3.94Å; F1432-W1491 HydrophobicContact CE2-CG 4.12Å; F1432-W1491 AromaticContact CE2-NE1 3.86Å; F1432-W1491 HydrophobicContact CG-CH2 4.49Å; F1432-W1491 HydrophobicContact CG-CZ2 4.35Å; D1435-W1491 HydrophobicContact CB-CE3 4.35Å; T1443-W1491 HydrophobicContact CG2-CZ3 4.03Å; L1447-W1491 HydrophobicContact CD1-CH2 4.31Å; L1447-W1491 HydrophobicContact CD1-CZ3 4.25Å; L1447-W1491 HydrophobicContact CD2-CH2 4.43Å; L1481-W1491 HydrophobicContact CG-CZ2 4.34Å; L1481-W1491 PolarHBondContact O-NE1 3.21Å; C1482-W1491 HydrophobicContact CB-CZ2 4.28Å; A1488-W1491 PolarHBondContact O-N 3.01Å; A1488-W1491 VanDerWaalsContact O-N 3.15Å; W1491-C1493 PolarHBondContact O-N 2.89Å; W1491-Y1509 HydrophobicContact CB-CD1 4.24Å; W1491-Y1509 HydrophobicContact CB-CE1 4.04Å; W1491-Y1509 HydrophobicContact CD2-CE1 4.46Å; W1491-Y1509 AromaticContact CE3-CE1 3.97Å; W1491-Y1509 HydrophobicContact CE3-CE1 4.16Å; W1491-Y1509 HydrophobicContact CG-CE1 4.48Å; W1491-R1513 VanDerWaalsContact CD2-NH1 3.33Å; W1491-R1513 VanDerWaalsContact CG-CZ 3.42Å; W1491-R1513 VanDerWaalsContact CG-NH1 3.31Å; W1491-R1513 VanDerWaalsContact CG-NH2 3.28Å; W1491-R1513 VanDerWaalsContact NE1-NH1 3.14Å
1492H71.8Confident68.5Low89.4 Ų89.480.5 Ų80.541%0.41444%0.443SS..  trans-89.296.8-174.6-162.461.4000110.9D1435 K1436 H1494D1435-H1492 PolarHBondContact OD2-N 3.26Å; K1436-H1492 HydrophobicContact CG-CB 4.14Å; H1492-H1494 AromaticContact CD2-CE1 3.78Å; H1492-H1494 AromaticContact CD2-NE2 3.75Å; H1492-H1494 PolarHBondContact O-CD2 3.19Å; H1492-H1494 PolarHBondContact O-N 3.29Å; H1492-H1494 VanDerWaalsContact O-N 3.15Å
1493C64.8Low67.8Low31.2 Ų31.284.7 Ų84.721%0.21147%0.469CS..  trans-78.3107.7175.4-144.50000110.1W1491 A1505 L1506 Y1509W1491-C1493 PolarHBondContact O-N 2.89Å; C1493-A1505 VanDerWaalsContact SG-C 3.57Å; C1493-A1505 PolarHBondContact SG-O 3.16Å; C1493-A1505 VanDerWaalsContact SG-O 3.33Å; C1493-L1506 HydrophobicContact CB-CD1 4.01Å; C1493-L1506 HydrophobicContact CB-CD2 3.96Å; C1493-L1506 HydrophobicContact CB-CG 4.24Å; C1493-L1506 VanDerWaalsContact SG-CD2 3.53Å; C1493-Y1509 HydrophobicContact CB-CD1 4.41Å; C1493-Y1509 VanDerWaalsContact SG-CD1 3.6Å
1494H60.8Low67Low68.4 Ų68.486.3 Ų86.332%0.31748%0.48SS..PPolyproline II helixtrans-63.5144.7171.7-72-86.5000110.9D1435 Y1438 H1492 F1496D1435-H1494 PolarHBondContact O-NE2 3.28Å; Y1438-H1494 PolarHBondContact O-CE1 3.23Å; Y1438-H1494 PolarHBondContact O-NE2 3.16Å; H1492-H1494 AromaticContact CD2-CE1 3.78Å; H1492-H1494 AromaticContact CD2-NE2 3.75Å; H1492-H1494 PolarHBondContact O-CD2 3.19Å; H1492-H1494 PolarHBondContact O-N 3.29Å; H1492-H1494 VanDerWaalsContact O-N 3.15Å; H1494-F1496 PolarHBondContact O-N 3.14Å
1495I54.6Low66.3Low167.4 Ų167.485.5 Ų85.586%0.85848%0.475SS*.PPolyproline II helixtrans-62123.9-176.5-60.4170.1000110
1496F57Low66.2Low56.2 Ų56.283.9 Ų83.925%0.24646%0.464CS..PPolyproline II helixtrans-74.5146.3171.3-69.6-82.9000110.7H1494 M1498 A1505 W1508H1494-F1496 PolarHBondContact O-N 3.14Å; F1496-M1498 PolarHBondContact O-N 3.13Å; F1496-M1498 VanDerWaalsContact O-N 3.08Å; F1496-A1505 HydrophobicContact CD2-CB 3.79Å; F1496-A1505 HydrophobicContact CE2-CB 3.8Å; F1496-W1508 HydrophobicContact CE1-CD2 4.37Å; F1496-W1508 AromaticContact CE1-CE3 3.87Å; F1496-W1508 HydrophobicContact CE1-CE3 3.87Å; F1496-W1508 HydrophobicContact CE1-CH2 4.07Å; F1496-W1508 HydrophobicContact CE1-CZ2 4.46Å; F1496-W1508 AromaticContact CE1-CZ3 3.7Å; F1496-W1508 HydrophobicContact CE1-CZ3 3.7Å; F1496-W1508 HydrophobicContact CE2-CE3 4.32Å; F1496-W1508 AromaticContact CZ-CD2 3.95Å; F1496-W1508 HydrophobicContact CZ-CD2 4.04Å; F1496-W1508 AromaticContact CZ-CE3 3.34Å; F1496-W1508 HydrophobicContact CZ-CE3 3.34Å; F1496-W1508 HydrophobicContact CZ-CH2 4.33Å; F1496-W1508 AromaticContact CZ-CZ3 3.51Å; F1496-W1508 HydrophobicContact CZ-CZ3 3.51Å; F1496-W1508 VanDerWaalsContact CZ-CZ3 3.42Å
1497S51.3Low66.3Low134 Ų13484.4 Ų84.494%0.93746%0.456SS*.SBendtrans-71.712.4174.2-45.90000114.2
1498M50.7Low66.3Low138.2 Ų138.284.7 Ų84.768%0.68146%0.456SS*.SBendtrans-125.3142.9172.6-71.1-128.17000107.9F1496 L1500F1496-M1498 PolarHBondContact O-N 3.13Å; F1496-M1498 VanDerWaalsContact O-N 3.08Å; M1498-L1500 VanDerWaalsContact C-N 3.29Å; M1498-L1500 HydrophobicContact CB-CD1 3.64Å; M1498-L1500 HydrophobicContact CE-CD1 4.4Å; M1498-L1500 PolarHBondContact O-N 2.89Å
1499E49.3Very low66.7Low209 Ų20984.6 Ų84.698%0.97746%0.455SS*.  trans-70.776.1-178-62.1179.2146.800111.6
1500L58.3Low67.4Low72.6 Ų72.681.8 Ų81.838%0.3843%0.425SS..  trans-97.6136.1171.3-85.572.7000109.8M1498 N1502 T1504 A1505M1498-L1500 VanDerWaalsContact C-N 3.29Å; M1498-L1500 HydrophobicContact CB-CD1 3.64Å; M1498-L1500 HydrophobicContact CE-CD1 4.4Å; M1498-L1500 PolarHBondContact O-N 2.89Å; L1500-N1502 PolarHBondContact O-N 2.75Å; L1500-T1504 WeakPolarHBondContact CB-OG1 3.14Å; L1500-T1504 HydrophobicContact CD2-CG2 4.09Å; L1500-T1504 HydrophobicContact CG-CG2 4.41Å; L1500-A1505 HydrophobicContact CB-CB 4.43Å
1501D65.8Low67.5Low110.8 Ų110.882 Ų8259%0.59343%0.426SS*.  trans-52.6142167.7-66.1-45.8000110.9T1503 T1504 A1505D1501-T1503 WeakPolarHBondContact CB-OG1 3.44Å; D1501-T1503 PolarHBondContact O-N 2.93Å; D1501-T1503 VanDerWaalsContact O-N 3.08Å; D1501-T1504 HydrophobicContact CB-CG2 4.21Å; D1501-T1504 PolarHBondContact N-OG1 3.06Å; D1501-T1504 WeakPolarHBondContact O-CA 3.32Å; D1501-T1504 WeakPolarHBondContact O-CB 3.47Å; D1501-T1504 PolarHBondContact O-N 3.18Å; D1501-T1504 PolarHBondContact O-OG1 3.45Å; D1501-T1504 PolarHBondContact OD2-OG1 2.97Å; D1501-A1505 PolarHBondContact O-N 3.29Å
1502N66.4Low67.6Low139 Ų13983.1 Ų83.174%0.74343%0.432SS*.Hα-helixtrans-51.1-34.8177.6-72.4-22.6000112.8L1500 A1505 L1506L1500-N1502 PolarHBondContact O-N 2.75Å; N1502-A1505 PolarHBondContact O-N 3.17Å; N1502-L1506 VanDerWaalsContact O-CB 3.3Å; N1502-L1506 WeakPolarHBondContact O-CB 3.43Å; N1502-L1506 WeakPolarHBondContact O-CD1 3.29Å; N1502-L1506 VanDerWaalsContact O-CG 3.24Å; N1502-L1506 WeakPolarHBondContact O-CG 3.3Å; N1502-L1506 PolarHBondContact O-N 3.09Å
1503T69.4Low68.3Low89 Ų8978.9 Ų78.955%0.54641%0.412SS..Hα-helixtrans-66.5-43.2175.347.20000112.7I1251 D1501 L1506 L1507I1251-T1503 HydrophobicContact CD1-CG2 4.4Å; D1501-T1503 WeakPolarHBondContact CB-OG1 3.44Å; D1501-T1503 PolarHBondContact O-N 2.93Å; D1501-T1503 VanDerWaalsContact O-N 3.08Å; T1503-L1506 WeakPolarHBondContact O-CB 3.44Å; T1503-L1506 PolarHBondContact O-N 3.03Å; T1503-L1507 WeakPolarHBondContact O-CB 3.33Å; T1503-L1507 VanDerWaalsContact O-CG 3.28Å; T1503-L1507 WeakPolarHBondContact O-CG 3.44Å; T1503-L1507 PolarHBondContact O-N 3.18Å
1504T71.6Confident69.4Low62.6 Ų62.681.2 Ų81.238%0.38442%0.416SS..Hα-helixtrans-69.9-39.8178-15.60000111.3L1500 D1501 L1506 L1507 W1508L1500-T1504 WeakPolarHBondContact CB-OG1 3.14Å; L1500-T1504 HydrophobicContact CD2-CG2 4.09Å; L1500-T1504 HydrophobicContact CG-CG2 4.41Å; D1501-T1504 HydrophobicContact CB-CG2 4.21Å; D1501-T1504 PolarHBondContact N-OG1 3.06Å; D1501-T1504 WeakPolarHBondContact O-CA 3.32Å; D1501-T1504 WeakPolarHBondContact O-CB 3.47Å; D1501-T1504 PolarHBondContact O-N 3.18Å; D1501-T1504 PolarHBondContact O-OG1 3.45Å; D1501-T1504 PolarHBondContact OD2-OG1 2.97Å; T1504-L1506 VanDerWaalsContact C-N 3.35Å; T1504-L1506 PolarHBondContact O-N 2.76Å; T1504-L1507 PolarHBondContact O-N 2.93Å; T1504-W1508 WeakPolarHBondContact O-CB 3.36Å; T1504-W1508 PolarHBondContact O-N 3.03Å
1505A68.6Low70.4Confident7.6 Ų7.683.3 Ų83.36%0.06342%0.422CS..Hα-helixtrans-59.4-46.8171.600000112C1493 F1496 L1500 D1501 N1502 L1507 W1508 Y1509C1493-A1505 VanDerWaalsContact SG-C 3.57Å; C1493-A1505 PolarHBondContact SG-O 3.16Å; C1493-A1505 VanDerWaalsContact SG-O 3.33Å; F1496-A1505 HydrophobicContact CD2-CB 3.79Å; F1496-A1505 HydrophobicContact CE2-CB 3.8Å; L1500-A1505 HydrophobicContact CB-CB 4.43Å; D1501-A1505 PolarHBondContact O-N 3.29Å; N1502-A1505 PolarHBondContact O-N 3.17Å; A1505-L1507 PolarHBondContact O-N 3.09Å; A1505-W1508 WeakPolarHBondContact O-CB 3.08Å; A1505-W1508 PolarHBondContact O-N 2.98Å; A1505-Y1509 WeakPolarHBondContact O-CB 3.35Å; A1505-Y1509 PolarHBondContact O-N 2.93Å
1506L75.1Confident71.9Confident41.8 Ų41.875.7 Ų75.722%0.21938%0.383CS..Hα-helixtrans-63.2-40.1176.8-116.7109.8000112.9A1488 C1493 N1502 T1503 T1504 Y1509 L1510A1488-L1506 HydrophobicContact CB-CD2 4.13Å; A1488-L1506 HydrophobicContact CB-CG 4.11Å; A1488-L1506 WeakPolarHBondContact O-CD1 3.28Å; A1488-L1506 WeakPolarHBondContact O-CD2 3.43Å; C1493-L1506 HydrophobicContact CB-CD1 4.01Å; C1493-L1506 HydrophobicContact CB-CD2 3.96Å; C1493-L1506 HydrophobicContact CB-CG 4.24Å; C1493-L1506 VanDerWaalsContact SG-CD2 3.53Å; N1502-L1506 VanDerWaalsContact O-CB 3.3Å; N1502-L1506 WeakPolarHBondContact O-CB 3.43Å; N1502-L1506 WeakPolarHBondContact O-CD1 3.29Å; N1502-L1506 VanDerWaalsContact O-CG 3.24Å; N1502-L1506 WeakPolarHBondContact O-CG 3.3Å; N1502-L1506 PolarHBondContact O-N 3.09Å; T1503-L1506 WeakPolarHBondContact O-CB 3.44Å; T1503-L1506 PolarHBondContact O-N 3.03Å; T1504-L1506 VanDerWaalsContact C-N 3.35Å; T1504-L1506 PolarHBondContact O-N 2.76Å; L1506-Y1509 PolarHBondContact O-N 2.95Å; L1506-L1510 WeakPolarHBondContact O-CB 3.35Å; L1506-L1510 PolarHBondContact O-N 3.17Å
1507L76.7Confident73.4Confident85.4 Ų85.474 Ų7445%0.44738%0.375SS..Hα-helixtrans-68.9-38.8176.5-74170.8000112V1485 T1503 T1504 A1505 Y1509 L1510 Q1511V1485-L1507 HydrophobicContact CG1-CD2 4.35Å; T1503-L1507 WeakPolarHBondContact O-CB 3.33Å; T1503-L1507 VanDerWaalsContact O-CG 3.28Å; T1503-L1507 WeakPolarHBondContact O-CG 3.44Å; T1503-L1507 PolarHBondContact O-N 3.18Å; T1504-L1507 PolarHBondContact O-N 2.93Å; A1505-L1507 PolarHBondContact O-N 3.09Å; L1507-Y1509 VanDerWaalsContact C-N 3.32Å; L1507-Y1509 PolarHBondContact O-N 3.34Å; L1507-L1510 HydrophobicContact CD2-CD2 4.41Å; L1507-L1510 WeakPolarHBondContact O-CB 3.36Å; L1507-L1510 PolarHBondContact O-N 3.17Å; L1507-Q1511 WeakPolarHBondContact O-CB 3.38Å; L1507-Q1511 PolarHBondContact O-N 2.99Å
1508W77.7Confident75Confident90.6 Ų90.670.2 Ų70.234%0.34335%0.347SS..Hα-helixtrans-61.6-44.1171.7-174.297.2000111.1F1440 F1496 T1504 A1505 L1510 Q1511 E1512F1440-W1508 HydrophobicContact CD2-CH2 4.4Å; F1440-W1508 HydrophobicContact CD2-CZ3 4.33Å; F1440-W1508 AromaticContact CE1-CH2 3.86Å; F1440-W1508 HydrophobicContact CE1-CH2 3.86Å; F1440-W1508 HydrophobicContact CE1-CZ3 4.02Å; F1440-W1508 HydrophobicContact CE2-CE3 4.35Å; F1440-W1508 HydrophobicContact CE2-CH2 4.17Å; F1440-W1508 AromaticContact CE2-CZ3 3.42Å; F1440-W1508 HydrophobicContact CE2-CZ3 3.42Å; F1440-W1508 VanDerWaalsContact CE2-CZ3 3.42Å; F1440-W1508 AromaticContact CZ-CH2 3.38Å; F1440-W1508 HydrophobicContact CZ-CH2 3.38Å; F1440-W1508 AromaticContact CZ-CZ3 3.31Å; F1440-W1508 HydrophobicContact CZ-CZ3 3.31Å; F1496-W1508 HydrophobicContact CE1-CD2 4.37Å; F1496-W1508 AromaticContact CE1-CE3 3.87Å; F1496-W1508 HydrophobicContact CE1-CE3 3.87Å; F1496-W1508 HydrophobicContact CE1-CH2 4.07Å; F1496-W1508 HydrophobicContact CE1-CZ2 4.46Å; F1496-W1508 AromaticContact CE1-CZ3 3.7Å; F1496-W1508 HydrophobicContact CE1-CZ3 3.7Å; F1496-W1508 HydrophobicContact CE2-CE3 4.32Å; F1496-W1508 AromaticContact CZ-CD2 3.95Å; F1496-W1508 HydrophobicContact CZ-CD2 4.04Å; F1496-W1508 AromaticContact CZ-CE3 3.34Å; F1496-W1508 HydrophobicContact CZ-CE3 3.34Å; F1496-W1508 HydrophobicContact CZ-CH2 4.33Å; F1496-W1508 AromaticContact CZ-CZ3 3.51Å; F1496-W1508 HydrophobicContact CZ-CZ3 3.51Å; F1496-W1508 VanDerWaalsContact CZ-CZ3 3.42Å; T1504-W1508 WeakPolarHBondContact O-CB 3.36Å; T1504-W1508 PolarHBondContact O-N 3.03Å; A1505-W1508 WeakPolarHBondContact O-CB 3.08Å; A1505-W1508 PolarHBondContact O-N 2.98Å; W1508-L1510 VanDerWaalsContact C-N 3.31Å; W1508-L1510 PolarHBondContact O-N 3.1Å; W1508-Q1511 WeakPolarHBondContact O-CA 3.34Å; W1508-Q1511 WeakPolarHBondContact O-CB 3.39Å; W1508-Q1511 PolarHBondContact O-N 3.25Å; W1508-Q1511 VanDerWaalsContact O-N 3.12Å; W1508-E1512 HydrophobicContact CD2-CG 4.19Å; W1508-E1512 HydrophobicContact CE3-CG 4.02Å; W1508-E1512 HydrophobicContact CH2-CG 3.72Å; W1508-E1512 HydrophobicContact CZ2-CG 3.85Å; W1508-E1512 HydrophobicContact CZ3-CB 4.42Å; W1508-E1512 HydrophobicContact CZ3-CG 3.8Å; W1508-E1512 PolarHBondContact O-N 3.05Å
1509Y81.7Confident76.5Confident3.6 Ų3.667.7 Ų67.71%0.01434%0.336CS..Hα-helixtrans-68.4-30.4178.3-169.6-138.5000113D1435 F1440 T1443 L1444 W1491 C1493 A1505 L1506 L1507 Q1511 E1512 R1513D1435-Y1509 PolarHBondContact OD1-OH 3.14Å; F1440-Y1509 HydrophobicContact CB-CD2 4.48Å; F1440-Y1509 HydrophobicContact CB-CE2 3.99Å; F1440-Y1509 AromaticContact CD2-CD2 3.69Å; F1440-Y1509 HydrophobicContact CD2-CD2 3.69Å; F1440-Y1509 AromaticContact CD2-CE2 3.63Å; F1440-Y1509 HydrophobicContact CD2-CE2 3.63Å; F1440-Y1509 AromaticContact CE2-CD2 3.73Å; F1440-Y1509 HydrophobicContact CE2-CD2 3.73Å; F1440-Y1509 AromaticContact CE2-CE2 3.94Å; F1440-Y1509 HydrophobicContact CE2-CE2 3.94Å; T1443-Y1509 VanDerWaalsContact CB-OH 3.29Å; T1443-Y1509 WeakPolarHBondContact CB-OH 3.25Å; T1443-Y1509 VanDerWaalsContact CG2-OH 3.26Å; T1443-Y1509 WeakPolarHBondContact CG2-OH 3.31Å; L1444-Y1509 HydrophobicContact CD1-CE2 4.46Å; L1444-Y1509 HydrophobicContact CD2-CE2 4.22Å; L1444-Y1509 HydrophobicContact CG-CE2 4.19Å; W1491-Y1509 HydrophobicContact CB-CD1 4.24Å; W1491-Y1509 HydrophobicContact CB-CE1 4.04Å; W1491-Y1509 HydrophobicContact CD2-CE1 4.46Å; W1491-Y1509 AromaticContact CE3-CE1 3.97Å; W1491-Y1509 HydrophobicContact CE3-CE1 4.16Å; W1491-Y1509 HydrophobicContact CG-CE1 4.48Å; C1493-Y1509 HydrophobicContact CB-CD1 4.41Å; C1493-Y1509 VanDerWaalsContact SG-CD1 3.6Å; A1505-Y1509 WeakPolarHBondContact O-CB 3.35Å; A1505-Y1509 PolarHBondContact O-N 2.93Å; L1506-Y1509 PolarHBondContact O-N 2.95Å; L1507-Y1509 VanDerWaalsContact C-N 3.32Å; L1507-Y1509 PolarHBondContact O-N 3.34Å; Y1509-Q1511 VanDerWaalsContact C-N 3.32Å; Y1509-Q1511 PolarHBondContact O-N 3.22Å; Y1509-E1512 PolarHBondContact O-N 3.46Å; Y1509-R1513 HydrophobicContact CD2-CG 4.29Å; Y1509-R1513 HydrophobicContact CE2-CG 4.23Å; Y1509-R1513 VanDerWaalsContact O-CG 3.32Å; Y1509-R1513 WeakPolarHBondContact O-CG 3.33Å; Y1509-R1513 PolarHBondContact O-N 2.97Å; Y1509-R1513 VanDerWaalsContact O-N 3.17Å; Y1509-R1513 PolarHBondContact O-NE 2.94Å
1510L84.1Confident78Confident2.8 Ų2.858.1 Ų58.12%0.01529%0.291CS..Hα-helixtrans-66.9-41.3168.1-177.568.3000111.8S1484 V1485 A1488 L1506 L1507 W1508 E1512 R1513 R1514S1484-L1510 VanDerWaalsContact O-CD1 3.31Å; S1484-L1510 WeakPolarHBondContact O-CD1 3.44Å; V1485-L1510 HydrophobicContact CB-CD2 4.26Å; V1485-L1510 HydrophobicContact CG2-CD2 3.94Å; V1485-L1510 VanDerWaalsContact CG2-CD2 3.45Å; A1488-L1510 HydrophobicContact CB-CB 4.5Å; A1488-L1510 HydrophobicContact CB-CD1 4.42Å; A1488-L1510 HydrophobicContact CB-CD2 4.24Å; L1506-L1510 WeakPolarHBondContact O-CB 3.35Å; L1506-L1510 PolarHBondContact O-N 3.17Å; L1507-L1510 HydrophobicContact CD2-CD2 4.41Å; L1507-L1510 WeakPolarHBondContact O-CB 3.36Å; L1507-L1510 PolarHBondContact O-N 3.17Å; W1508-L1510 VanDerWaalsContact C-N 3.31Å; W1508-L1510 PolarHBondContact O-N 3.1Å; L1510-E1512 VanDerWaalsContact C-N 3.35Å; L1510-E1512 PolarHBondContact O-N 3.43Å; L1510-R1513 PolarHBondContact O-N 3.06Å; L1510-R1514 WeakPolarHBondContact O-CB 3.46Å; L1510-R1514 VanDerWaalsContact O-CG 3.27Å; L1510-R1514 WeakPolarHBondContact O-CG 3.33Å; L1510-R1514 PolarHBondContact O-N 3Å
1511Q81.3Confident79.1Confident113.2 Ų113.254.7 Ų54.753%0.52927%0.273SS..Hα-helixtrans-64.1-40.9178.3-174.7171.3-20.700111.8L1507 W1508 Y1509 R1514 R1515L1507-Q1511 WeakPolarHBondContact O-CB 3.38Å; L1507-Q1511 PolarHBondContact O-N 2.99Å; W1508-Q1511 WeakPolarHBondContact O-CA 3.34Å; W1508-Q1511 WeakPolarHBondContact O-CB 3.39Å; W1508-Q1511 PolarHBondContact O-N 3.25Å; W1508-Q1511 VanDerWaalsContact O-N 3.12Å; Y1509-Q1511 VanDerWaalsContact C-N 3.32Å; Y1509-Q1511 PolarHBondContact O-N 3.22Å; Q1511-R1514 CarbonylContact O-C 3.51Å; Q1511-R1514 WeakPolarHBondContact O-CB 3.38Å; Q1511-R1514 PolarHBondContact O-N 3.12Å; Q1511-R1515 WeakPolarHBondContact O-CB 3.36Å; Q1511-R1515 PolarHBondContact O-N 3.18Å
1512E81.9Confident79.4Confident32.4 Ų32.453.2 Ų53.215%0.15127%0.265CS..Hα-helixtrans-67.4-41175.4-80.9-61.4101.200113.1F1440 L1444 W1508 Y1509 L1510 R1514 R1515 V1516F1440-E1512 HydrophobicContact CE2-CB 4.2Å; F1440-E1512 HydrophobicContact CE2-CG 4.41Å; F1440-E1512 HydrophobicContact CZ-CB 4.29Å; F1440-E1512 HydrophobicContact CZ-CG 4.12Å; L1444-E1512 HydrophobicContact CD1-CB 3.95Å; L1444-E1512 HydrophobicContact CD1-CG 4.4Å; L1444-E1512 HydrophobicContact CD2-CB 4.09Å; W1508-E1512 HydrophobicContact CD2-CG 4.19Å; W1508-E1512 HydrophobicContact CE3-CG 4.02Å; W1508-E1512 HydrophobicContact CH2-CG 3.72Å; W1508-E1512 HydrophobicContact CZ2-CG 3.85Å; W1508-E1512 HydrophobicContact CZ3-CB 4.42Å; W1508-E1512 HydrophobicContact CZ3-CG 3.8Å; W1508-E1512 PolarHBondContact O-N 3.05Å; Y1509-E1512 PolarHBondContact O-N 3.46Å; L1510-E1512 VanDerWaalsContact C-N 3.35Å; L1510-E1512 PolarHBondContact O-N 3.43Å; E1512-R1514 VanDerWaalsContact C-N 3.29Å; E1512-R1514 PolarHBondContact O-N 3.35Å; E1512-R1515 VanDerWaalsContact CD-NE 3.29Å; E1512-R1515 WeakPolarHBondContact O-CB 3.25Å; E1512-R1515 PolarHBondContact O-N 3.08Å; E1512-R1515 VanDerWaalsContact O-N 3.12Å; E1512-R1515 VanDerWaalsContact OE1-CD 3.29Å; E1512-R1515 WeakPolarHBondContact OE1-CD 3.37Å; E1512-R1515 IonicContact OE1-CZ 3.14Å; E1512-R1515 IonicContact OE1-NE 3.08Å; E1512-R1515 PolarHBondContact OE1-NE 3.15Å; E1512-R1515 IonicContact OE1-NH2 2.99Å; E1512-R1515 IonicContact OE2-CZ 3.2Å; E1512-R1515 VanDerWaalsContact OE2-CZ 3.26Å; E1512-R1515 IonicContact OE2-NE 3.44Å; E1512-R1515 PolarHBondContact OE2-NE 3.12Å; E1512-R1515 VanDerWaalsContact OE2-NE 3.11Å; E1512-R1515 IonicContact OE2-NH2 3.12Å; E1512-R1515 PolarHBondContact OE2-NH2 2.94Å; E1512-V1516 WeakPolarHBondContact O-CB 3.46Å; E1512-V1516 WeakPolarHBondContact O-CG2 3.23Å; E1512-V1516 PolarHBondContact O-N 3.06Å
1513R86.9Confident79.2Confident0.4 Ų0.449.2 Ų49.20%0.00225%0.248CC..Hα-helixtrans-61.4-39.8172.7-72.3178.7-70.3145-13.8111.8L1444 L1447 L1481 C1482 W1491 Y1509 L1510 V1516 F1517L1444-R1513 HydrophobicContact CD2-CB 4.48Å; L1444-R1513 HydrophobicContact CD2-CG 3.79Å; L1447-R1513 HydrophobicContact CD1-CG 3.86Å; L1481-R1513 PolarHBondContact O-NH1 2.83Å; C1482-R1513 PolarHBondContact O-NH1 3.11Å; C1482-R1513 VanDerWaalsContact O-NH1 3.11Å; W1491-R1513 VanDerWaalsContact CD2-NH1 3.33Å; W1491-R1513 VanDerWaalsContact CG-CZ 3.42Å; W1491-R1513 VanDerWaalsContact CG-NH1 3.31Å; W1491-R1513 VanDerWaalsContact CG-NH2 3.28Å; W1491-R1513 VanDerWaalsContact NE1-NH1 3.14Å; Y1509-R1513 HydrophobicContact CD2-CG 4.29Å; Y1509-R1513 HydrophobicContact CE2-CG 4.23Å; Y1509-R1513 VanDerWaalsContact O-CG 3.32Å; Y1509-R1513 WeakPolarHBondContact O-CG 3.33Å; Y1509-R1513 PolarHBondContact O-N 2.97Å; Y1509-R1513 VanDerWaalsContact O-N 3.17Å; Y1509-R1513 PolarHBondContact O-NE 2.94Å; L1510-R1513 PolarHBondContact O-N 3.06Å; R1513-V1516 PolarHBondContact O-N 3.35Å; R1513-F1517 PolarHBondContact O-N 3.31Å; R1513-F1517 VanDerWaalsContact O-N 3.1Å
1514R87.8Confident78.4Confident79.6 Ų79.653.7 Ų53.730%0.326%0.262SS..Hα-helixtrans-63.1-43.7171.4-73.3170.8173.7-172.4-2.8112E1253 L1483 L1510 Q1511 E1512 V1516 F1517 V1518E1253-R1514 IonicContact OE1-NH1 2.73Å; E1253-R1514 IonicContact OE2-NH1 3.6Å; E1253-R1514 PolarHBondContact OE2-NH1 3.49Å; E1253-R1514 IonicContact OE2-NH2 3.21Å; L1483-R1514 HydrophobicContact CD2-CG 4.06Å; L1483-R1514 VanDerWaalsContact O-CZ 3.27Å; L1483-R1514 PolarHBondContact O-NE 3.07Å; L1483-R1514 PolarHBondContact O-NH2 3.07Å; L1510-R1514 WeakPolarHBondContact O-CB 3.46Å; L1510-R1514 VanDerWaalsContact O-CG 3.27Å; L1510-R1514 WeakPolarHBondContact O-CG 3.33Å; L1510-R1514 PolarHBondContact O-N 3Å; Q1511-R1514 CarbonylContact O-C 3.51Å; Q1511-R1514 WeakPolarHBondContact O-CB 3.38Å; Q1511-R1514 PolarHBondContact O-N 3.12Å; E1512-R1514 VanDerWaalsContact C-N 3.29Å; E1512-R1514 PolarHBondContact O-N 3.35Å; R1514-V1516 PolarHBondContact O-N 2.88Å; R1514-F1517 WeakPolarHBondContact O-CB 3.23Å; R1514-F1517 PolarHBondContact O-N 2.99Å; R1514-V1518 WeakPolarHBondContact O-CB 3.35Å; R1514-V1518 VanDerWaalsContact O-CG2 3.28Å; R1514-V1518 WeakPolarHBondContact O-CG2 3.34Å; R1514-V1518 PolarHBondContact O-N 3.31Å
1515R82.5Confident77.5Confident112.6 Ų112.655.7 Ų55.743%0.42528%0.279SS..Hα-helixtrans-59.9-45.3176.9-171.3-174.464.7771.7111.6Q1511 E1512 F1517 V1518 L1519Q1511-R1515 WeakPolarHBondContact O-CB 3.36Å; Q1511-R1515 PolarHBondContact O-N 3.18Å; E1512-R1515 VanDerWaalsContact CD-NE 3.29Å; E1512-R1515 WeakPolarHBondContact O-CB 3.25Å; E1512-R1515 PolarHBondContact O-N 3.08Å; E1512-R1515 VanDerWaalsContact O-N 3.12Å; E1512-R1515 VanDerWaalsContact OE1-CD 3.29Å; E1512-R1515 WeakPolarHBondContact OE1-CD 3.37Å; E1512-R1515 IonicContact OE1-CZ 3.14Å; E1512-R1515 IonicContact OE1-NE 3.08Å; E1512-R1515 PolarHBondContact OE1-NE 3.15Å; E1512-R1515 IonicContact OE1-NH2 2.99Å; E1512-R1515 IonicContact OE2-CZ 3.2Å; E1512-R1515 VanDerWaalsContact OE2-CZ 3.26Å; E1512-R1515 IonicContact OE2-NE 3.44Å; E1512-R1515 PolarHBondContact OE2-NE 3.12Å; E1512-R1515 VanDerWaalsContact OE2-NE 3.11Å; E1512-R1515 IonicContact OE2-NH2 3.12Å; E1512-R1515 PolarHBondContact OE2-NH2 2.94Å; R1515-F1517 PolarHBondContact O-N 3.49Å; R1515-V1518 PolarHBondContact O-N 3.29Å; R1515-L1519 VanDerWaalsContact O-CB 3.29Å; R1515-L1519 WeakPolarHBondContact O-CB 3.3Å; R1515-L1519 PolarHBondContact O-N 3.07Å
1516V86.2Confident76.9Confident7.4 Ų7.462 Ų625%0.04531%0.305CS..Hα-helixtrans-66-36.8178.7171.40000112.3L1444 L1447 F1448 F1451 E1512 R1513 R1514 N1520L1444-V1516 HydrophobicContact CB-CG2 4.39Å; L1444-V1516 HydrophobicContact CD1-CG2 4.17Å; L1444-V1516 HydrophobicContact CD2-CG2 4.1Å; L1447-V1516 HydrophobicContact CB-CG1 4.35Å; F1448-V1516 VanDerWaalsContact CA-CG1 3.47Å; F1448-V1516 HydrophobicContact CB-CG1 3.7Å; F1448-V1516 HydrophobicContact CD2-CG1 4.3Å; F1448-V1516 HydrophobicContact CG-CG1 4.47Å; F1451-V1516 HydrophobicContact CD2-CG1 4.22Å; E1512-V1516 WeakPolarHBondContact O-CB 3.46Å; E1512-V1516 WeakPolarHBondContact O-CG2 3.23Å; E1512-V1516 PolarHBondContact O-N 3.06Å; R1513-V1516 PolarHBondContact O-N 3.35Å; R1514-V1516 PolarHBondContact O-N 2.88Å; V1516-N1520 PolarHBondContact O-N 2.91Å; V1516-N1520 PolarHBondContact O-ND2 3.1Å
1517F88.4Confident76.1Confident20.6 Ų20.662.3 Ų62.39%0.0931%0.31CS..Hα-helixtrans-65.1-51.6171.5176.9-99000112F1451 L1479 L1483 R1513 R1514 R1515 L1519 N1520 M1521 L1533F1451-F1517 AromaticContact CD1-CD2 3.81Å; F1451-F1517 HydrophobicContact CD1-CD2 3.81Å; F1451-F1517 HydrophobicContact CD1-CE2 4.42Å; F1451-F1517 HydrophobicContact CD2-CB 3.94Å; F1451-F1517 HydrophobicContact CD2-CD2 4.16Å; F1451-F1517 AromaticContact CE1-CD2 3.82Å; F1451-F1517 HydrophobicContact CE1-CD2 3.82Å; F1451-F1517 HydrophobicContact CE1-CE2 4.46Å; F1451-F1517 HydrophobicContact CE2-CB 3.8Å; F1451-F1517 HydrophobicContact CE2-CD2 4.17Å; F1451-F1517 HydrophobicContact CE2-CG 4.46Å; F1451-F1517 AromaticContact CG-CD2 3.97Å; F1451-F1517 HydrophobicContact CG-CD2 4Å; F1451-F1517 HydrophobicContact CZ-CB 4.31Å; F1451-F1517 AromaticContact CZ-CD2 3.96Å; F1451-F1517 HydrophobicContact CZ-CD2 4Å; L1479-F1517 HydrophobicContact CD2-CD2 4.24Å; L1479-F1517 HydrophobicContact CD2-CE2 3.66Å; L1479-F1517 HydrophobicContact CD2-CZ 4.39Å; L1483-F1517 HydrophobicContact CD1-CB 4.46Å; L1483-F1517 HydrophobicContact CD1-CD1 3.8Å; L1483-F1517 HydrophobicContact CD1-CD2 3.98Å; L1483-F1517 HydrophobicContact CD1-CE1 3.9Å; L1483-F1517 HydrophobicContact CD1-CE2 4.08Å; L1483-F1517 HydrophobicContact CD1-CG 3.84Å; L1483-F1517 HydrophobicContact CD1-CZ 4.03Å; L1483-F1517 HydrophobicContact CD2-CB 3.81Å; L1483-F1517 HydrophobicContact CD2-CD1 4.39Å; L1483-F1517 HydrophobicContact CD2-CG 4.04Å; R1513-F1517 PolarHBondContact O-N 3.31Å; R1513-F1517 VanDerWaalsContact O-N 3.1Å; R1514-F1517 WeakPolarHBondContact O-CB 3.23Å; R1514-F1517 PolarHBondContact O-N 2.99Å; R1515-F1517 PolarHBondContact O-N 3.49Å; F1517-L1519 VanDerWaalsContact C-N 3.33Å; F1517-L1519 PolarHBondContact O-N 3.08Å; F1517-N1520 PolarHBondContact O-N 3.24Å; F1517-M1521 HydrophobicContact CD1-CG 4.4Å; F1517-M1521 HydrophobicContact CD2-CE 4.46Å; F1517-M1521 HydrophobicContact CD2-CG 4.23Å; F1517-M1521 HydrophobicContact CE1-CG 4.09Å; F1517-M1521 HydrophobicContact CE2-CE 3.79Å; F1517-M1521 HydrophobicContact CE2-CG 3.91Å; F1517-M1521 HydrophobicContact CE2-SD 4.14Å; F1517-M1521 HydrophobicContact CG-CG 4.4Å; F1517-M1521 HydrophobicContact CZ-CE 4.25Å; F1517-M1521 HydrophobicContact CZ-CG 3.83Å; F1517-M1521 HydrophobicContact CZ-SD 4.37Å; F1517-M1521 WeakPolarHBondContact O-CB 3.33Å; F1517-M1521 WeakPolarHBondContact O-CG 3.38Å; F1517-M1521 PolarHBondContact O-N 3.13Å; F1517-M1521 VanDerWaalsContact O-N 3.14Å; F1517-L1533 HydrophobicContact CZ-CD2 3.99Å
1518V84.4Confident75.9Confident56 Ų5664.5 Ų64.534%0.33932%0.316SS..Hα-helixtrans-56.6-45.9179163.80000111.4R1514 R1515 N1520 M1521 L1522R1514-V1518 WeakPolarHBondContact O-CB 3.35Å; R1514-V1518 VanDerWaalsContact O-CG2 3.28Å; R1514-V1518 WeakPolarHBondContact O-CG2 3.34Å; R1514-V1518 PolarHBondContact O-N 3.31Å; R1515-V1518 PolarHBondContact O-N 3.29Å; V1518-N1520 VanDerWaalsContact C-N 3.33Å; V1518-N1520 PolarHBondContact O-N 2.95Å; V1518-M1521 PolarHBondContact O-N 3.08Å; V1518-M1521 VanDerWaalsContact O-N 3.16Å; V1518-L1522 HydrophobicContact CG1-CB 4.37Å; V1518-L1522 HydrophobicContact CG1-CD1 4.03Å; V1518-L1522 WeakPolarHBondContact O-CB 3.36Å; V1518-L1522 PolarHBondContact O-N 2.98Å
1519L82.7Confident75.9Confident85.6 Ų85.660.2 Ų60.245%0.44830%0.3SS..Hα-helixtrans-63-33.7-176.7-168.5133.1000112.9F1448 R1515 F1517 S1523F1448-L1519 HydrophobicContact CD2-CD2 4.4Å; F1448-L1519 HydrophobicContact CE2-CD2 3.81Å; F1448-L1519 HydrophobicContact CE2-CG 4.28Å; R1515-L1519 VanDerWaalsContact O-CB 3.29Å; R1515-L1519 WeakPolarHBondContact O-CB 3.3Å; R1515-L1519 PolarHBondContact O-N 3.07Å; F1517-L1519 VanDerWaalsContact C-N 3.33Å; F1517-L1519 PolarHBondContact O-N 3.08Å; L1519-S1523 VanDerWaalsContact O-CB 3.28Å; L1519-S1523 WeakPolarHBondContact O-CB 3.32Å; L1519-S1523 PolarHBondContact O-N 3.15Å; L1519-S1523 PolarHBondContact O-OG 3.26Å
1520N80.9Confident76Confident7.2 Ų7.262 Ų624%0.03931%0.309CS..Hα-helixtrans-77.1-37.7173.3-77.4-75.2000113F1448 F1451 K1452 S1455 V1516 F1517 V1518 L1522 S1523F1448-N1520 WeakPolarHBondContact CD2-ND2 3.38Å; F1448-N1520 WeakPolarHBondContact CE2-ND2 3.41Å; F1448-N1520 PolarHBondContact O-ND2 2.89Å; F1451-N1520 HydrophobicContact CB-CB 4.02Å; K1452-N1520 WeakPolarHBondContact CA-OD1 3.46Å; K1452-N1520 VanDerWaalsContact CB-OD1 3.28Å; K1452-N1520 WeakPolarHBondContact CB-OD1 3.36Å; K1452-N1520 PolarHBondContact N-OD1 2.91Å; S1455-N1520 VanDerWaalsContact CB-O 3.32Å; S1455-N1520 WeakPolarHBondContact CB-O 3.25Å; S1455-N1520 PolarHBondContact OG-O 3.1Å; V1516-N1520 PolarHBondContact O-N 2.91Å; V1516-N1520 PolarHBondContact O-ND2 3.1Å; F1517-N1520 PolarHBondContact O-N 3.24Å; V1518-N1520 VanDerWaalsContact C-N 3.33Å; V1518-N1520 PolarHBondContact O-N 2.95Å; N1520-L1522 VanDerWaalsContact C-N 3.31Å; N1520-L1522 PolarHBondContact O-N 2.98Å; N1520-S1523 PolarHBondContact O-N 3.49Å; N1520-S1523 PolarHBondContact O-OG 3.03Å
1521M80Confident75.8Confident0.6 Ų0.663.7 Ų63.70%0.00332%0.321CS..Hα-helixtrans-83.2-21.8-174.4-69.2-66.2-167.500114.2L1454 L1458 F1517 V1518 S1527 I1530 L1533L1454-M1521 HydrophobicContact CB-CE 4.21Å; L1454-M1521 HydrophobicContact CD2-CE 3.7Å; L1454-M1521 HydrophobicContact CG-CE 3.81Å; L1458-M1521 HydrophobicContact CD1-CE 3.87Å; L1458-M1521 HydrophobicContact CD1-SD 4.07Å; F1517-M1521 HydrophobicContact CD1-CG 4.4Å; F1517-M1521 HydrophobicContact CD2-CE 4.46Å; F1517-M1521 HydrophobicContact CD2-CG 4.23Å; F1517-M1521 HydrophobicContact CE1-CG 4.09Å; F1517-M1521 HydrophobicContact CE2-CE 3.79Å; F1517-M1521 HydrophobicContact CE2-CG 3.91Å; F1517-M1521 HydrophobicContact CE2-SD 4.14Å; F1517-M1521 HydrophobicContact CG-CG 4.4Å; F1517-M1521 HydrophobicContact CZ-CE 4.25Å; F1517-M1521 HydrophobicContact CZ-CG 3.83Å; F1517-M1521 HydrophobicContact CZ-SD 4.37Å; F1517-M1521 WeakPolarHBondContact O-CB 3.33Å; F1517-M1521 WeakPolarHBondContact O-CG 3.38Å; F1517-M1521 PolarHBondContact O-N 3.13Å; F1517-M1521 VanDerWaalsContact O-N 3.14Å; V1518-M1521 PolarHBondContact O-N 3.08Å; V1518-M1521 VanDerWaalsContact O-N 3.16Å; M1521-S1527 WeakPolarHBondContact O-CB 3.46Å; M1521-S1527 PolarHBondContact O-OG 3.33Å; M1521-I1530 HydrophobicContact CB-CB 4.2Å; M1521-I1530 HydrophobicContact CB-CD1 4.22Å; M1521-I1530 HydrophobicContact CB-CG1 4.33Å; M1521-I1530 HydrophobicContact CE-CB 4.31Å; M1521-L1533 HydrophobicContact CE-CB 4.02Å; M1521-L1533 HydrophobicContact CE-CD2 3.73Å; M1521-L1533 HydrophobicContact CE-CG 4.44Å
1522L72.8Confident75.9Confident80 Ų8058.8 Ų58.842%0.41930%0.299SS..SBendtrans-120.222.1-178.7-78.3159.1000113.1V1518 N1520 H1524 I1530V1518-L1522 HydrophobicContact CG1-CB 4.37Å; V1518-L1522 HydrophobicContact CG1-CD1 4.03Å; V1518-L1522 WeakPolarHBondContact O-CB 3.36Å; V1518-L1522 PolarHBondContact O-N 2.98Å; N1520-L1522 VanDerWaalsContact C-N 3.31Å; N1520-L1522 PolarHBondContact O-N 2.98Å; L1522-H1524 PolarHBondContact O-N 3.22Å; L1522-I1530 HydrophobicContact CD1-CD1 3.89Å; L1522-I1530 HydrophobicContact CD1-CG2 4.49Å; L1522-I1530 HydrophobicContact CD2-CG2 3.8Å; L1522-I1530 HydrophobicContact CG-CB 4.46Å; L1522-I1530 HydrophobicContact CG-CD1 4.06Å; L1522-I1530 HydrophobicContact CG-CG2 4.11Å
1523S62.1Low76Confident54.8 Ų54.857.6 Ų57.638%0.38329%0.293SS..  trans-52.4129.8174.6-62.70000112.1L1519 N1520 S1525 K1526 S1527L1519-S1523 VanDerWaalsContact O-CB 3.28Å; L1519-S1523 WeakPolarHBondContact O-CB 3.32Å; L1519-S1523 PolarHBondContact O-N 3.15Å; L1519-S1523 PolarHBondContact O-OG 3.26Å; N1520-S1523 PolarHBondContact O-N 3.49Å; N1520-S1523 PolarHBondContact O-OG 3.03Å; S1523-S1525 PolarHBondContact O-N 3.08Å; S1523-K1526 PolarHBondContact O-N 2.95Å; S1523-S1527 PolarHBondContact O-OG 2.81Å
1524H53.7Low76Confident182 Ų18261.1 Ų61.184%0.84331%0.314SS*.THydrogen-bonded Turntrans-42.4-6-170.6-69.7-30.4000118.4I1268 L1522 K1526I1268-H1524 PolarHBondContact O-CE1 3.18Å; I1268-H1524 VanDerWaalsContact O-CE1 3.26Å; I1268-H1524 PolarHBondContact O-NE2 2.89Å; L1522-H1524 PolarHBondContact O-N 3.22Å; H1524-K1526 PolarHBondContact O-N 2.71Å; H1524-K1526 VanDerWaalsContact O-N 3.16Å
1525S53Low75.8Confident106 Ų10662.5 Ų62.574%0.74132%0.32SS*.THydrogen-bonded Turntrans-118.751.7176.7174.20000113S1523 S1527S1523-S1525 PolarHBondContact O-N 3.08Å; S1525-S1527 PolarHBondContact O-N 2.89Å
1526K54.9Low75.8Confident140.4 Ų140.459.2 Ų59.261%0.6131%0.307SS*.  trans28.843.9-179.9-67.9-175.7173.3-175.20115D1456 S1523 H1524 K1528 S1529D1456-K1526 IonicContact OD1-NZ 3.07Å; D1456-K1526 PolarHBondContact OD1-NZ 2.93Å; S1523-K1526 PolarHBondContact O-N 2.95Å; H1524-K1526 PolarHBondContact O-N 2.71Å; H1524-K1526 VanDerWaalsContact O-N 3.16Å; K1526-K1528 HydrophobicContact CB-CG 4.21Å; K1526-K1528 PolarHBondContact O-N 3.23Å; K1526-S1529 PolarHBondContact O-N 3.16Å; K1526-S1529 PolarHBondContact O-OG 3.44Å
1527S59.5Low75.7Confident46.6 Ų46.660.6 Ų60.633%0.32632%0.315SS..THydrogen-bonded Turntrans-63.241.3-177.173.50000113.8I1261 M1521 S1523 S1525 S1529 S1531I1261-S1527 WeakPolarHBondContact CG2-OG 3.37Å; M1521-S1527 WeakPolarHBondContact O-CB 3.46Å; M1521-S1527 PolarHBondContact O-OG 3.33Å; S1523-S1527 PolarHBondContact O-OG 2.81Å; S1525-S1527 PolarHBondContact O-N 2.89Å; S1527-S1529 VanDerWaalsContact C-N 3.29Å; S1527-S1529 PolarHBondContact O-N 3.26Å; S1527-S1529 PolarHBondContact OG-N 2.74Å; S1527-S1529 PolarHBondContact OG-OG 3.35Å; S1527-S1531 WeakPolarHBondContact O-CB 3.41Å; S1527-S1531 PolarHBondContact O-N 3.11Å; S1527-S1531 PolarHBondContact O-OG 3.16Å
1528K71.2Confident75.5Confident132.6 Ų132.663 Ų6358%0.57733%0.33SS*.Hα-helixtrans-64.8-29175.5-69.1-173.8177-171.30112.8E1462 K1526 I1530 S1531 L1532E1462-K1528 IonicContact OE1-NZ 3.7Å; E1462-K1528 PolarHBondContact OE1-NZ 3.36Å; K1526-K1528 HydrophobicContact CB-CG 4.21Å; K1526-K1528 PolarHBondContact O-N 3.23Å; K1528-I1530 PolarHBondContact O-N 3.32Å; K1528-S1531 WeakPolarHBondContact CA-OG 3.35Å; K1528-S1531 CarbonylContact O-C 3.59Å; K1528-S1531 WeakPolarHBondContact O-CA 3.4Å; K1528-S1531 PolarHBondContact O-N 3.08Å; K1528-S1531 PolarHBondContact O-OG 3.14Å; K1528-L1532 WeakPolarHBondContact O-CA 3.34Å; K1528-L1532 VanDerWaalsContact O-CB 3.27Å; K1528-L1532 WeakPolarHBondContact O-CB 3.44Å; K1528-L1532 PolarHBondContact O-N 3.05Å
1529S78.1Confident75.1Confident0.4 Ų0.463.6 Ų63.60%0.00333%0.33CS..Hα-helixtrans-54.2-52.5-173.9-52.70000113.1S1455 L1458 N1459 K1526 S1527 S1531 L1532 L1533S1455-S1529 PolarHBondContact O-OG 3.07Å; S1455-S1529 VanDerWaalsContact O-OG 3.09Å; S1455-S1529 WeakPolarHBondContact OG-CB 3.35Å; S1455-S1529 PolarHBondContact OG-OG 3.1Å; L1458-S1529 WeakPolarHBondContact CB-OG 3.23Å; N1459-S1529 VanDerWaalsContact CG-OG 3.24Å; N1459-S1529 PolarHBondContact ND2-OG 3.06Å; N1459-S1529 PolarHBondContact OD1-OG 3.03Å; K1526-S1529 PolarHBondContact O-N 3.16Å; K1526-S1529 PolarHBondContact O-OG 3.44Å; S1527-S1529 VanDerWaalsContact C-N 3.29Å; S1527-S1529 PolarHBondContact O-N 3.26Å; S1527-S1529 PolarHBondContact OG-N 2.74Å; S1527-S1529 PolarHBondContact OG-OG 3.35Å; S1529-S1531 VanDerWaalsContact C-N 3.34Å; S1529-S1531 PolarHBondContact O-N 3.2Å; S1529-L1532 PolarHBondContact O-N 3.03Å; S1529-L1533 VanDerWaalsContact O-CB 3.32Å; S1529-L1533 WeakPolarHBondContact O-CB 3.32Å; S1529-L1533 PolarHBondContact O-N 2.99Å
1530I83.7Confident74.9Confident40.6 Ų40.659.7 Ų59.721%0.20831%0.309CS..Hα-helixtrans-68.4-38.2-179-160.1168.1000112.2M1521 L1522 K1528 L1532 L1533 V1534M1521-I1530 HydrophobicContact CB-CB 4.2Å; M1521-I1530 HydrophobicContact CB-CD1 4.22Å; M1521-I1530 HydrophobicContact CB-CG1 4.33Å; M1521-I1530 HydrophobicContact CE-CB 4.31Å; L1522-I1530 HydrophobicContact CD1-CD1 3.89Å; L1522-I1530 HydrophobicContact CD1-CG2 4.49Å; L1522-I1530 HydrophobicContact CD2-CG2 3.8Å; L1522-I1530 HydrophobicContact CG-CB 4.46Å; L1522-I1530 HydrophobicContact CG-CD1 4.06Å; L1522-I1530 HydrophobicContact CG-CG2 4.11Å; K1528-I1530 PolarHBondContact O-N 3.32Å; I1530-L1532 VanDerWaalsContact C-N 3.34Å; I1530-L1532 PolarHBondContact O-N 3.34Å; I1530-L1533 PolarHBondContact O-N 2.97Å; I1530-V1534 HydrophobicContact CG1-CG2 4.33Å; I1530-V1534 WeakPolarHBondContact O-CB 3.37Å; I1530-V1534 VanDerWaalsContact O-CG2 3.27Å; I1530-V1534 WeakPolarHBondContact O-CG2 3.42Å; I1530-V1534 PolarHBondContact O-N 3.02Å
1531S80.3Confident74.6Confident37.8 Ų37.863.9 Ų63.926%0.26433%0.328SS..Hα-helixtrans-69.5-34.2178.266.30000112.3S1527 K1528 S1529 V1534 R1535S1527-S1531 WeakPolarHBondContact O-CB 3.41Å; S1527-S1531 PolarHBondContact O-N 3.11Å; S1527-S1531 PolarHBondContact O-OG 3.16Å; K1528-S1531 WeakPolarHBondContact CA-OG 3.35Å; K1528-S1531 CarbonylContact O-C 3.59Å; K1528-S1531 WeakPolarHBondContact O-CA 3.4Å; K1528-S1531 PolarHBondContact O-N 3.08Å; K1528-S1531 PolarHBondContact O-OG 3.14Å; S1529-S1531 VanDerWaalsContact C-N 3.34Å; S1529-S1531 PolarHBondContact O-N 3.2Å; S1531-V1534 PolarHBondContact O-N 2.89Å; S1531-R1535 WeakPolarHBondContact O-CB 3.28Å; S1531-R1535 WeakPolarHBondContact O-CD 3.36Å; S1531-R1535 VanDerWaalsContact O-CG 3.29Å; S1531-R1535 WeakPolarHBondContact O-CG 3.33Å; S1531-R1535 PolarHBondContact O-N 2.91Å; S1531-R1535 VanDerWaalsContact O-N 3.09Å; S1531-R1535 PolarHBondContact OG-NH2 2.99Å
1532L82.1Confident74.1Confident11.6 Ų11.668.5 Ų68.56%0.06135%0.349CS..Hα-helixtrans-69.8-45.7172.4-174.565.6000111L1458 E1462 K1528 S1529 I1530 V1534 R1535 R1536L1458-L1532 HydrophobicContact CB-CD2 4.46Å; L1458-L1532 HydrophobicContact CD2-CB 4.44Å; L1458-L1532 HydrophobicContact CD2-CD2 4.07Å; L1458-L1532 HydrophobicContact CD2-CG 4.3Å; L1458-L1532 VanDerWaalsContact O-CD2 3.28Å; L1458-L1532 WeakPolarHBondContact O-CD2 3.28Å; E1462-L1532 HydrophobicContact CB-CD1 4.24Å; E1462-L1532 HydrophobicContact CG-CD1 4.25Å; K1528-L1532 WeakPolarHBondContact O-CA 3.34Å; K1528-L1532 VanDerWaalsContact O-CB 3.27Å; K1528-L1532 WeakPolarHBondContact O-CB 3.44Å; K1528-L1532 PolarHBondContact O-N 3.05Å; S1529-L1532 PolarHBondContact O-N 3.03Å; I1530-L1532 VanDerWaalsContact C-N 3.34Å; I1530-L1532 PolarHBondContact O-N 3.34Å; L1532-V1534 VanDerWaalsContact C-N 3.34Å; L1532-V1534 PolarHBondContact O-N 2.97Å; L1532-R1535 PolarHBondContact O-N 3.12Å; L1532-R1535 VanDerWaalsContact O-N 3.15Å; L1532-R1536 HydrophobicContact CD1-CG 4.32Å; L1532-R1536 HydrophobicContact CG-CG 4.42Å; L1532-R1536 WeakPolarHBondContact O-CB 3.24Å; L1532-R1536 VanDerWaalsContact O-CG 3.31Å; L1532-R1536 WeakPolarHBondContact O-CG 3.27Å; L1532-R1536 PolarHBondContact O-N 3.13Å
1533L85.8Confident73.9Confident6.8 Ų6.868.3 Ų68.34%0.03635%0.348CS..Hα-helixtrans-59-45.1176.6-17962000111.4L1458 L1470 L1479 F1517 M1521 S1529 I1530 R1536 L1537L1458-L1533 HydrophobicContact CD1-CB 4.07Å; L1458-L1533 HydrophobicContact CD1-CD2 4.43Å; L1458-L1533 HydrophobicContact CD2-CB 4.27Å; L1470-L1533 HydrophobicContact CD1-CD1 4.35Å; L1479-L1533 HydrophobicContact CD1-CD2 4.37Å; F1517-L1533 HydrophobicContact CZ-CD2 3.99Å; M1521-L1533 HydrophobicContact CE-CB 4.02Å; M1521-L1533 HydrophobicContact CE-CD2 3.73Å; M1521-L1533 HydrophobicContact CE-CG 4.44Å; S1529-L1533 VanDerWaalsContact O-CB 3.32Å; S1529-L1533 WeakPolarHBondContact O-CB 3.32Å; S1529-L1533 PolarHBondContact O-N 2.99Å; I1530-L1533 PolarHBondContact O-N 2.97Å; L1533-R1536 PolarHBondContact O-N 3.07Å; L1533-L1537 HydrophobicContact CD1-CD1 4.31Å; L1533-L1537 HydrophobicContact CD1-CG 4.37Å; L1533-L1537 HydrophobicContact CG-CD1 4.04Å; L1533-L1537 HydrophobicContact CG-CG 4.45Å; L1533-L1537 VanDerWaalsContact O-CB 3.28Å; L1533-L1537 WeakPolarHBondContact O-CB 3.41Å; L1533-L1537 VanDerWaalsContact O-CG 3.28Å; L1533-L1537 WeakPolarHBondContact O-CG 3.31Å; L1533-L1537 PolarHBondContact O-N 3.11Å
1534V85.5Confident74Confident73 Ų7369.7 Ų69.744%0.44235%0.354SS..Hα-helixtrans-63.6-44.3175.8170.60000111.4I1530 S1531 L1532 R1536 L1537 V1538I1530-V1534 HydrophobicContact CG1-CG2 4.33Å; I1530-V1534 WeakPolarHBondContact O-CB 3.37Å; I1530-V1534 VanDerWaalsContact O-CG2 3.27Å; I1530-V1534 WeakPolarHBondContact O-CG2 3.42Å; I1530-V1534 PolarHBondContact O-N 3.02Å; S1531-V1534 PolarHBondContact O-N 2.89Å; L1532-V1534 VanDerWaalsContact C-N 3.34Å; L1532-V1534 PolarHBondContact O-N 2.97Å; V1534-R1536 VanDerWaalsContact C-N 3.33Å; V1534-R1536 PolarHBondContact O-N 3.09Å; V1534-L1537 PolarHBondContact O-N 2.93Å; V1534-V1538 HydrophobicContact CG1-CG2 4.48Å; V1534-V1538 WeakPolarHBondContact O-CB 3.37Å; V1534-V1538 VanDerWaalsContact O-CG2 3.31Å; V1534-V1538 WeakPolarHBondContact O-CG2 3.38Å; V1534-V1538 PolarHBondContact O-N 3.1Å
1535R83.2Confident73.9Confident110.4 Ų110.466.7 Ų66.742%0.41734%0.341SS..Hα-helixtrans-61-42175.3-74.3168.9-168.3164.84.7112.4D1258 E1462 S1531 L1532 V1538 Q1539D1258-R1535 IonicContact OD1-NH2 3.41Å; D1258-R1535 PolarHBondContact OD1-NH2 2.81Å; D1258-R1535 IonicContact OD2-NH2 3.95Å; D1258-R1535 PolarHBondContact OD2-NH2 3.07Å; E1462-R1535 IonicContact OE1-NH1 3.6Å; S1531-R1535 WeakPolarHBondContact O-CB 3.28Å; S1531-R1535 WeakPolarHBondContact O-CD 3.36Å; S1531-R1535 VanDerWaalsContact O-CG 3.29Å; S1531-R1535 WeakPolarHBondContact O-CG 3.33Å; S1531-R1535 PolarHBondContact O-N 2.91Å; S1531-R1535 VanDerWaalsContact O-N 3.09Å; S1531-R1535 PolarHBondContact OG-NH2 2.99Å; L1532-R1535 PolarHBondContact O-N 3.12Å; L1532-R1535 VanDerWaalsContact O-N 3.15Å; R1535-V1538 PolarHBondContact O-N 3.11Å; R1535-Q1539 WeakPolarHBondContact O-CB 3.39Å; R1535-Q1539 WeakPolarHBondContact O-CG 3.45Å; R1535-Q1539 PolarHBondContact O-N 3.01Å; R1535-Q1539 VanDerWaalsContact O-N 3.09Å
1536R83Confident73.7Confident41.8 Ų41.865.9 Ų65.916%0.15833%0.325CS..Hα-helixtrans-72.4-32.1177.8-66.1-53.8-167.9-174.65.9112.5E1462 I1465 L1470 L1532 L1533 V1534 Q1539 A1540E1462-R1536 PolarHBondContact O-NE 3.17Å; E1462-R1536 PolarHBondContact O-NH2 3.21Å; I1465-R1536 WeakPolarHBondContact O-CD 3.4Å; I1465-R1536 VanDerWaalsContact O-CZ 3.25Å; I1465-R1536 PolarHBondContact O-NE 3.28Å; I1465-R1536 PolarHBondContact O-NH2 2.99Å; L1470-R1536 VanDerWaalsContact CD2-C 3.43Å; L1470-R1536 HydrophobicContact CD2-CB 3.84Å; L1470-R1536 WeakPolarHBondContact CD2-O 3.42Å; L1532-R1536 HydrophobicContact CD1-CG 4.32Å; L1532-R1536 HydrophobicContact CG-CG 4.42Å; L1532-R1536 WeakPolarHBondContact O-CB 3.24Å; L1532-R1536 VanDerWaalsContact O-CG 3.31Å; L1532-R1536 WeakPolarHBondContact O-CG 3.27Å; L1532-R1536 PolarHBondContact O-N 3.13Å; L1533-R1536 PolarHBondContact O-N 3.07Å; V1534-R1536 VanDerWaalsContact C-N 3.33Å; V1534-R1536 PolarHBondContact O-N 3.09Å; R1536-Q1539 VanDerWaalsContact CD-OE1 3.27Å; R1536-Q1539 PolarHBondContact O-N 3.24Å; R1536-A1540 VanDerWaalsContact O-CB 3.26Å; R1536-A1540 WeakPolarHBondContact O-CB 3.31Å; R1536-A1540 PolarHBondContact O-N 3.1Å
1537L85.3Confident73Confident38.8 Ų38.864 Ų6420%0.20332%0.321CS..Hα-helixtrans-65.8-44.6169.7-78.1168.4000111.6L1470 I1476 L1533 V1534 Q1539 A1540 F1541L1470-L1537 HydrophobicContact CD2-CB 4.45Å; L1470-L1537 HydrophobicContact CD2-CD2 3.9Å; L1470-L1537 HydrophobicContact CD2-CG 4Å; I1476-L1537 HydrophobicContact CD1-CD2 4.13Å; I1476-L1537 HydrophobicContact CG1-CD2 3.97Å; L1533-L1537 HydrophobicContact CD1-CD1 4.31Å; L1533-L1537 HydrophobicContact CD1-CG 4.37Å; L1533-L1537 HydrophobicContact CG-CD1 4.04Å; L1533-L1537 HydrophobicContact CG-CG 4.45Å; L1533-L1537 VanDerWaalsContact O-CB 3.28Å; L1533-L1537 WeakPolarHBondContact O-CB 3.41Å; L1533-L1537 VanDerWaalsContact O-CG 3.28Å; L1533-L1537 WeakPolarHBondContact O-CG 3.31Å; L1533-L1537 PolarHBondContact O-N 3.11Å; V1534-L1537 PolarHBondContact O-N 2.93Å; L1537-Q1539 VanDerWaalsContact C-N 3.35Å; L1537-Q1539 PolarHBondContact O-N 3.12Å; L1537-A1540 CarbonylContact O-C 3.46Å; L1537-A1540 WeakPolarHBondContact O-CB 3.35Å; L1537-A1540 PolarHBondContact O-N 2.9Å; L1537-A1540 VanDerWaalsContact O-N 3.17Å; L1537-F1541 HydrophobicContact CB-CD2 4.49Å; L1537-F1541 HydrophobicContact CB-CE2 4.45Å; L1537-F1541 HydrophobicContact CD2-CE2 4.39Å; L1537-F1541 VanDerWaalsContact O-CB 3.26Å; L1537-F1541 WeakPolarHBondContact O-CB 3.47Å; L1537-F1541 WeakPolarHBondContact O-CD2 3.46Å; L1537-F1541 PolarHBondContact O-N 3.11Å
1538V82.9Confident72.1Confident69.2 Ų69.264.8 Ų64.842%0.41933%0.325SS..Hα-helixtrans-61.1-45.6175.2170.40000110.7V1534 R1535 A1540 F1541 E1542V1534-V1538 HydrophobicContact CG1-CG2 4.48Å; V1534-V1538 WeakPolarHBondContact O-CB 3.37Å; V1534-V1538 VanDerWaalsContact O-CG2 3.31Å; V1534-V1538 WeakPolarHBondContact O-CG2 3.38Å; V1534-V1538 PolarHBondContact O-N 3.1Å; R1535-V1538 PolarHBondContact O-N 3.11Å; V1538-A1540 VanDerWaalsContact C-N 3.32Å; V1538-A1540 PolarHBondContact O-N 3.18Å; V1538-F1541 CarbonylContact O-C 3.48Å; V1538-F1541 WeakPolarHBondContact O-CB 3.45Å; V1538-F1541 PolarHBondContact O-N 3.11Å; V1538-F1541 VanDerWaalsContact O-N 3.11Å; V1538-E1542 HydrophobicContact CG1-CG 4.38Å; V1538-E1542 WeakPolarHBondContact O-CB 3.43Å; V1538-E1542 VanDerWaalsContact O-CG 3.29Å; V1538-E1542 WeakPolarHBondContact O-CG 3.39Å; V1538-E1542 PolarHBondContact O-N 3.02Å
1539Q77.1Confident70.4Confident69.8 Ų69.862.7 Ų62.733%0.32632%0.32SS..Hα-helixtrans-64.7-36.4175.4-72.5173-13.100113.1A1467 R1535 R1536 L1537 F1541 E1542 L1543A1467-Q1539 HydrophobicContact CB-CB 3.87Å; R1535-Q1539 WeakPolarHBondContact O-CB 3.39Å; R1535-Q1539 WeakPolarHBondContact O-CG 3.45Å; R1535-Q1539 PolarHBondContact O-N 3.01Å; R1535-Q1539 VanDerWaalsContact O-N 3.09Å; R1536-Q1539 VanDerWaalsContact CD-OE1 3.27Å; R1536-Q1539 PolarHBondContact O-N 3.24Å; L1537-Q1539 VanDerWaalsContact C-N 3.35Å; L1537-Q1539 PolarHBondContact O-N 3.12Å; Q1539-F1541 VanDerWaalsContact C-N 3.33Å; Q1539-F1541 PolarHBondContact O-N 3.19Å; Q1539-E1542 WeakPolarHBondContact CA-OE2 3.45Å; Q1539-E1542 PolarHBondContact O-N 3.02Å; Q1539-L1543 WeakPolarHBondContact O-CB 3.1Å; Q1539-L1543 VanDerWaalsContact O-CG 3.3Å; Q1539-L1543 WeakPolarHBondContact O-CG 3.4Å; Q1539-L1543 PolarHBondContact O-N 3.13Å; Q1539-L1543 VanDerWaalsContact O-N 3.09Å
1540A78.5Confident68.3Low2.6 Ų2.670.2 Ų70.22%0.02135%0.348CS..Hα-helixtrans-64.1-40172.300000111.6A1467 L1470 T1471 I1476 R1536 L1537 V1538 L1543 T1544A1467-A1540 HydrophobicContact CB-CB 4.32Å; L1470-A1540 HydrophobicContact CD2-CB 4.28Å; T1471-A1540 HydrophobicContact CG2-CB 3.65Å; I1476-A1540 HydrophobicContact CD1-CB 4.35Å; R1536-A1540 VanDerWaalsContact O-CB 3.26Å; R1536-A1540 WeakPolarHBondContact O-CB 3.31Å; R1536-A1540 PolarHBondContact O-N 3.1Å; L1537-A1540 CarbonylContact O-C 3.46Å; L1537-A1540 WeakPolarHBondContact O-CB 3.35Å; L1537-A1540 PolarHBondContact O-N 2.9Å; L1537-A1540 VanDerWaalsContact O-N 3.17Å; V1538-A1540 VanDerWaalsContact C-N 3.32Å; V1538-A1540 PolarHBondContact O-N 3.18Å; A1540-L1543 PolarHBondContact O-N 2.98Å; A1540-T1544 WeakPolarHBondContact O-CG2 3.14Å; A1540-T1544 PolarHBondContact O-N 2.98Å; A1540-T1544 VanDerWaalsContact O-N 3.11Å; A1540-T1544 PolarHBondContact O-OG1 3.04Å
1541F73.9Confident65.9Low97 Ų9772.8 Ų72.843%0.42536%0.362SS..Hα-helixtrans-65.8-47174.3-110.6-83.8000111.4L1537 V1538 Q1539 L1543 T1544 E1545L1537-F1541 HydrophobicContact CB-CD2 4.49Å; L1537-F1541 HydrophobicContact CB-CE2 4.45Å; L1537-F1541 HydrophobicContact CD2-CE2 4.39Å; L1537-F1541 VanDerWaalsContact O-CB 3.26Å; L1537-F1541 WeakPolarHBondContact O-CB 3.47Å; L1537-F1541 WeakPolarHBondContact O-CD2 3.46Å; L1537-F1541 PolarHBondContact O-N 3.11Å; V1538-F1541 CarbonylContact O-C 3.48Å; V1538-F1541 WeakPolarHBondContact O-CB 3.45Å; V1538-F1541 PolarHBondContact O-N 3.11Å; V1538-F1541 VanDerWaalsContact O-N 3.11Å; Q1539-F1541 VanDerWaalsContact C-N 3.33Å; Q1539-F1541 PolarHBondContact O-N 3.19Å; F1541-L1543 VanDerWaalsContact C-N 3.28Å; F1541-L1543 PolarHBondContact O-N 3.12Å; F1541-T1544 WeakPolarHBondContact CA-OG1 3.38Å; F1541-T1544 CarbonylContact O-C 3.55Å; F1541-T1544 WeakPolarHBondContact O-CA 3.28Å; F1541-T1544 PolarHBondContact O-N 3.21Å; F1541-T1544 PolarHBondContact O-OG1 2.99Å; F1541-E1545 HydrophobicContact CD1-CG 3.85Å; F1541-E1545 HydrophobicContact CD2-CG 4.15Å; F1541-E1545 HydrophobicContact CE1-CG 3.63Å; F1541-E1545 VanDerWaalsContact CE1-CG 3.46Å; F1541-E1545 WeakPolarHBondContact CE1-OE1 3.38Å; F1541-E1545 WeakPolarHBondContact CE1-OE2 3.31Å; F1541-E1545 HydrophobicContact CE2-CG 3.94Å; F1541-E1545 HydrophobicContact CG-CG 4.1Å; F1541-E1545 HydrophobicContact CZ-CG 3.68Å; F1541-E1545 WeakPolarHBondContact CZ-OE1 3.46Å; F1541-E1545 WeakPolarHBondContact O-CB 3.25Å; F1541-E1545 WeakPolarHBondContact O-CG 3.33Å; F1541-E1545 PolarHBondContact O-N 2.97Å
1542E69.3Low63.7Low96.6 Ų96.677.5 Ų77.545%0.45138%0.378SS..Hα-helixtrans-54.6-40174.1-72.2169.616400112.3V1538 Q1539 T1544 E1545 H1546V1538-E1542 HydrophobicContact CG1-CG 4.38Å; V1538-E1542 WeakPolarHBondContact O-CB 3.43Å; V1538-E1542 VanDerWaalsContact O-CG 3.29Å; V1538-E1542 WeakPolarHBondContact O-CG 3.39Å; V1538-E1542 PolarHBondContact O-N 3.02Å; Q1539-E1542 WeakPolarHBondContact CA-OE2 3.45Å; Q1539-E1542 PolarHBondContact O-N 3.02Å; E1542-T1544 VanDerWaalsContact C-N 3.25Å; E1542-T1544 PolarHBondContact O-N 3.17Å; E1542-E1545 PolarHBondContact O-N 3.21Å; E1542-H1546 WeakPolarHBondContact O-CB 3.36Å; E1542-H1546 PolarHBondContact O-CD2 3.22Å; E1542-H1546 PolarHBondContact O-CE1 2.92Å; E1542-H1546 PolarHBondContact O-N 3.1Å; E1542-H1546 VanDerWaalsContact O-N 3.15Å; E1542-H1546 PolarHBondContact O-ND1 3.47Å; E1542-H1546 VanDerWaalsContact O-ND1 3.08Å
1543L68.2Low61.3Low76 Ų7681.2 Ų81.240%0.39841%0.405SS..Hα-helixtrans-68.6-30.4174.6-70.4178000113.5Y667 A1467 Q1539 A1540 F1541 H1546 L1547 S1615Y667-L1543 HydrophobicContact CE1-CD2 3.64Å; A1467-L1543 HydrophobicContact CB-CD1 3.71Å; A1467-L1543 HydrophobicContact CB-CG 4.28Å; Q1539-L1543 WeakPolarHBondContact O-CB 3.1Å; Q1539-L1543 VanDerWaalsContact O-CG 3.3Å; Q1539-L1543 WeakPolarHBondContact O-CG 3.4Å; Q1539-L1543 PolarHBondContact O-N 3.13Å; Q1539-L1543 VanDerWaalsContact O-N 3.09Å; A1540-L1543 PolarHBondContact O-N 2.98Å; F1541-L1543 VanDerWaalsContact C-N 3.28Å; F1541-L1543 PolarHBondContact O-N 3.12Å; L1543-H1546 PolarHBondContact O-CD2 3.33Å; L1543-H1546 VanDerWaalsContact O-CD2 3.26Å; L1543-L1547 PolarHBondContact O-N 2.9Å; L1543-S1615 PolarHBondContact O-OG 3.47Å
1544T64.8Low58.6Low83.2 Ų83.284.6 Ų84.651%0.5143%0.433SS..Hα-helixtrans-86.6-24.7174.657.50000113.8T1471 A1540 F1541 E1542 H1546 L1547T1471-T1544 HydrophobicContact CG2-CG2 4.41Å; A1540-T1544 WeakPolarHBondContact O-CG2 3.14Å; A1540-T1544 PolarHBondContact O-N 2.98Å; A1540-T1544 VanDerWaalsContact O-N 3.11Å; A1540-T1544 PolarHBondContact O-OG1 3.04Å; F1541-T1544 WeakPolarHBondContact CA-OG1 3.38Å; F1541-T1544 CarbonylContact O-C 3.55Å; F1541-T1544 WeakPolarHBondContact O-CA 3.28Å; F1541-T1544 PolarHBondContact O-N 3.21Å; F1541-T1544 PolarHBondContact O-OG1 2.99Å; E1542-T1544 VanDerWaalsContact C-N 3.25Å; E1542-T1544 PolarHBondContact O-N 3.17Å; T1544-H1546 VanDerWaalsContact C-N 3.27Å; T1544-H1546 CarbonylContact O-C 3.57Å; T1544-H1546 PolarHBondContact O-N 3.1Å; T1544-H1546 VanDerWaalsContact O-N 3.14Å; T1544-L1547 WeakPolarHBondContact O-CA 3.22Å; T1544-L1547 WeakPolarHBondContact O-CB 3.29Å; T1544-L1547 PolarHBondContact O-N 2.79Å
1545E52.3Low56Low119.8 Ų119.884.2 Ų84.256%0.5644%0.438SS*.Hα-helixtrans-81.8-1177-75-156.7163.400112.6F1541 E1542 L1547 K2276F1541-E1545 HydrophobicContact CD1-CG 3.85Å; F1541-E1545 HydrophobicContact CD2-CG 4.15Å; F1541-E1545 HydrophobicContact CE1-CG 3.63Å; F1541-E1545 VanDerWaalsContact CE1-CG 3.46Å; F1541-E1545 WeakPolarHBondContact CE1-OE1 3.38Å; F1541-E1545 WeakPolarHBondContact CE1-OE2 3.31Å; F1541-E1545 HydrophobicContact CE2-CG 3.94Å; F1541-E1545 HydrophobicContact CG-CG 4.1Å; F1541-E1545 HydrophobicContact CZ-CG 3.68Å; F1541-E1545 WeakPolarHBondContact CZ-OE1 3.46Å; F1541-E1545 WeakPolarHBondContact O-CB 3.25Å; F1541-E1545 WeakPolarHBondContact O-CG 3.33Å; F1541-E1545 PolarHBondContact O-N 2.97Å; E1542-E1545 PolarHBondContact O-N 3.21Å; E1545-L1547 VanDerWaalsContact C-N 3.3Å; E1545-L1547 PolarHBondContact O-N 2.99Å; E1545-K2276 VanDerWaalsContact CD-CE 3.43Å; E1545-K2276 PolarHBondContact O-NZ 3.19Å; E1545-K2276 VanDerWaalsContact OE1-CD 3.22Å; E1545-K2276 WeakPolarHBondContact OE1-CD 3.28Å; E1545-K2276 WeakPolarHBondContact OE1-CE 3.19Å; E1545-K2276 IonicContact OE1-NZ 2.64Å; E1545-K2276 PolarHBondContact OE1-NZ 3.49Å; E1545-K2276 WeakPolarHBondContact OE2-CD 3.33Å; E1545-K2276 WeakPolarHBondContact OE2-CE 3.32Å; E1545-K2276 IonicContact OE2-NZ 3.95Å; E1545-K2276 PolarHBondContact OE2-NZ 3.41Å
1546H47.9Very low53.6Low88.4 Ų88.486.8 Ų86.841%0.40945%0.454SS..  trans-6853.5161.1-69.8-42.3000111.5I671 E1542 L1543 T1544 P1548I671-H1546 HydrophobicContact CG2-CB 4.21Å; E1542-H1546 WeakPolarHBondContact O-CB 3.36Å; E1542-H1546 PolarHBondContact O-CD2 3.22Å; E1542-H1546 PolarHBondContact O-CE1 2.92Å; E1542-H1546 PolarHBondContact O-N 3.1Å; E1542-H1546 VanDerWaalsContact O-N 3.15Å; E1542-H1546 PolarHBondContact O-ND1 3.47Å; E1542-H1546 VanDerWaalsContact O-ND1 3.08Å; L1543-H1546 PolarHBondContact O-CD2 3.33Å; L1543-H1546 VanDerWaalsContact O-CD2 3.26Å; T1544-H1546 VanDerWaalsContact C-N 3.27Å; T1544-H1546 CarbonylContact O-C 3.57Å; T1544-H1546 PolarHBondContact O-N 3.1Å; T1544-H1546 VanDerWaalsContact O-N 3.14Å; H1546-P1548 VanDerWaalsContact O-CD 3.23Å; H1546-P1548 WeakPolarHBondContact O-CD 3.17Å; H1546-P1548 VanDerWaalsContact O-N 3.12Å
1547L40.3Very low51.2Low101.8 Ų101.891.4 Ų91.453%0.53348%0.481SS..  trans-62.6113.2177.5-164.4113.4000108.6I711 L1543 T1544 E1545 L1549 I1618I711-L1547 HydrophobicContact CD1-CD2 3.97Å; L1543-L1547 PolarHBondContact O-N 2.9Å; T1544-L1547 WeakPolarHBondContact O-CA 3.22Å; T1544-L1547 WeakPolarHBondContact O-CB 3.29Å; T1544-L1547 PolarHBondContact O-N 2.79Å; E1545-L1547 VanDerWaalsContact C-N 3.3Å; E1545-L1547 PolarHBondContact O-N 2.99Å; L1547-L1549 HydrophobicContact CD2-CD2 4.1Å; L1547-L1549 HydrophobicContact CD2-CG 4.15Å; L1547-L1549 HydrophobicContact CG-CG 4.48Å; L1547-L1549 PolarHBondContact O-N 3.18Å; L1547-L1549 VanDerWaalsContact O-N 3.11Å; L1547-I1618 HydrophobicContact CB-CD1 4.07Å
1548P40.3Very low48.6Very low62.2 Ų62.296.1 Ų96.140%0.40451%0.506SS..  trans-71.8100.8-177.527.8-32.2000109.1I711 I715 H1546 R1550I711-P1548 HydrophobicContact CG2-CG 3.33Å; I715-P1548 HydrophobicContact CD1-CG 4.18Å; H1546-P1548 VanDerWaalsContact O-CD 3.23Å; H1546-P1548 WeakPolarHBondContact O-CD 3.17Å; H1546-P1548 VanDerWaalsContact O-N 3.12Å; P1548-R1550 VanDerWaalsContact C-N 3.28Å; P1548-R1550 PolarHBondContact O-N 3.1Å; P1548-R1550 VanDerWaalsContact O-N 3.15Å
1549L35.9Very low46Very low89.2 Ų89.2103.2 Ų103.247%0.46753%0.525SS..  trans-63.793.4172.3-82.5169.1000109.2L1547 L1551 I1618 I1621L1547-L1549 HydrophobicContact CD2-CD2 4.1Å; L1547-L1549 HydrophobicContact CD2-CG 4.15Å; L1547-L1549 HydrophobicContact CG-CG 4.48Å; L1547-L1549 PolarHBondContact O-N 3.18Å; L1547-L1549 VanDerWaalsContact O-N 3.11Å; L1549-L1551 VanDerWaalsContact C-N 3.29Å; L1549-L1551 HydrophobicContact CB-CG 4.43Å; L1549-L1551 PolarHBondContact O-N 2.86Å; L1549-L1551 VanDerWaalsContact O-N 3.16Å; L1549-I1618 HydrophobicContact CD1-CD1 4.4Å; L1549-I1618 HydrophobicContact CD1-CG1 3.99Å; L1549-I1618 HydrophobicContact CG-CG1 4.29Å; L1549-I1621 HydrophobicContact CB-CD1 4.29Å; L1549-I1621 HydrophobicContact CD1-CD1 3.5Å
1550R34Very low43.7Very low157.4 Ų157.4104.2 Ų104.259%0.59454%0.54SS*.  trans-6888.3173.5-68.5-175-179.8-179.70109.6D714 P1548 F1552D714-R1550 IonicContact OD2-CZ 2.62Å; D714-R1550 IonicContact OD2-NH2 3.9Å; D714-R1550 PolarHBondContact OD2-NH2 3.03Å; P1548-R1550 VanDerWaalsContact C-N 3.28Å; P1548-R1550 PolarHBondContact O-N 3.1Å; P1548-R1550 VanDerWaalsContact O-N 3.15Å; R1550-F1552 VanDerWaalsContact C-N 3.31Å; R1550-F1552 HydrophobicContact CB-CD2 4.26Å; R1550-F1552 HydrophobicContact CB-CE2 3.9Å; R1550-F1552 HydrophobicContact CB-CZ 4.2Å; R1550-F1552 HydrophobicContact CG-CE2 4.31Å; R1550-F1552 VanDerWaalsContact O-CD2 3.23Å; R1550-F1552 WeakPolarHBondContact O-CD2 3.34Å; R1550-F1552 WeakPolarHBondContact O-CE2 3.49Å; R1550-F1552 PolarHBondContact O-N 3.03Å; R1550-F1552 VanDerWaalsContact O-N 3.08Å
1551L32.7Very low41.3Very low95 Ų95108.2 Ų108.250%0.49757%0.568SS.*  trans-75.589.5175.1-70.8171.8000109.5L1549 S1553 A1614 L1616 F1677L1549-L1551 VanDerWaalsContact C-N 3.29Å; L1549-L1551 HydrophobicContact CB-CG 4.43Å; L1549-L1551 PolarHBondContact O-N 2.86Å; L1549-L1551 VanDerWaalsContact O-N 3.16Å; L1551-S1553 PolarHBondContact O-N 3.11Å; L1551-S1553 VanDerWaalsContact O-N 3.11Å; L1551-A1614 PolarHBondContact N-O 3.01Å; L1551-L1616 HydrophobicContact CD1-CD1 4.11Å; L1551-F1677 HydrophobicContact CD1-CZ 4.37Å
1552F34.6Very low39.1Very low136.6 Ų136.6108.6 Ų108.660%0.59958%0.583SS**  trans-68.567.4177.4-68.9-79.9000112.5H718 R1550 A1554 A1555 M1652H718-F1552 AromaticContact NE2-CE1 3.99Å; R1550-F1552 VanDerWaalsContact C-N 3.31Å; R1550-F1552 HydrophobicContact CB-CD2 4.26Å; R1550-F1552 HydrophobicContact CB-CE2 3.9Å; R1550-F1552 HydrophobicContact CB-CZ 4.2Å; R1550-F1552 HydrophobicContact CG-CE2 4.31Å; R1550-F1552 VanDerWaalsContact O-CD2 3.23Å; R1550-F1552 WeakPolarHBondContact O-CD2 3.34Å; R1550-F1552 WeakPolarHBondContact O-CE2 3.49Å; R1550-F1552 PolarHBondContact O-N 3.03Å; R1550-F1552 VanDerWaalsContact O-N 3.08Å; F1552-A1554 VanDerWaalsContact C-N 3.33Å; F1552-A1554 PolarHBondContact O-N 2.97Å; F1552-A1554 VanDerWaalsContact O-N 3.1Å; F1552-A1555 WeakPolarHBondContact O-CB 3.27Å; F1552-A1555 PolarHBondContact O-N 3.25Å; F1552-A1555 VanDerWaalsContact O-N 3.11Å; F1552-M1652 HydrophobicContact CE2-SD 4.42Å
1553S30.8Very low37.1Very low90.6 Ų90.6109.8 Ų109.863%0.63460%0.597SS**THydrogen-bonded Turntrans-77.319.2-176.9-148.30000113.8L1551 A1555 F1625L1551-S1553 PolarHBondContact O-N 3.11Å; L1551-S1553 VanDerWaalsContact O-N 3.11Å; S1553-A1555 VanDerWaalsContact C-N 3.29Å; S1553-A1555 PolarHBondContact O-N 3.13Å; S1553-F1625 WeakPolarHBondContact OG-CE1 3.45Å
1554A29.8Very low35.1Very low76.4 Ų76.4114.1 Ų114.163%0.63162%0.62SS**THydrogen-bonded Turntrans-78.716.1-179.100000113.2F1552 H1556 L1557F1552-A1554 VanDerWaalsContact C-N 3.33Å; F1552-A1554 PolarHBondContact O-N 2.97Å; F1552-A1554 VanDerWaalsContact O-N 3.1Å; A1554-H1556 VanDerWaalsContact C-N 3.3Å; A1554-H1556 PolarHBondContact O-N 2.91Å; A1554-L1557 PolarHBondContact O-N 2.81Å
1555A30.9Very low33.4Very low64.8 Ų64.8114.2 Ų114.254%0.53663%0.63SS.*G310 helixtrans-101.6-20.6-172.400000115.6F1552 S1553 L1668F1552-A1555 WeakPolarHBondContact O-CB 3.27Å; F1552-A1555 PolarHBondContact O-N 3.25Å; F1552-A1555 VanDerWaalsContact O-N 3.11Å; S1553-A1555 VanDerWaalsContact C-N 3.29Å; S1553-A1555 PolarHBondContact O-N 3.13Å; A1555-L1668 HydrophobicContact CB-CD2 3.93Å
1556H33.5Very low32.2Very low165.2 Ų165.2114 Ų11477%0.76564%0.642SS**SBendtrans-99.8-6.4-177.1-80.4-75000114.3A1554 L1558 R1559A1554-H1556 VanDerWaalsContact C-N 3.3Å; A1554-H1556 PolarHBondContact O-N 2.91Å; H1556-L1558 VanDerWaalsContact C-N 3.35Å; H1556-L1558 PolarHBondContact O-N 3.09Å; H1556-R1559 PolarHBondContact O-N 2.94Å
1557L31.9Very low31.3Very low138.4 Ų138.4114.9 Ų114.973%0.72566%0.658SS**THydrogen-bonded Turntrans-92.8-3.2-176.3-84.6167.4000113.4A1554 R1559 S1560A1554-L1557 PolarHBondContact O-N 2.81Å; L1557-R1559 VanDerWaalsContact C-N 3.29Å; L1557-R1559 PolarHBondContact O-N 3.07Å; L1557-S1560 PolarHBondContact O-OG 2.67Å; L1557-S1560 VanDerWaalsContact O-OG 3.12Å
1558L30.7Very low30.8Very low138.8 Ų138.8116.1 Ų116.173%0.72767%0.669SS**THydrogen-bonded Turntrans-89.519.3178.2-68.3169.3000114H1556 S1561H1556-L1558 VanDerWaalsContact C-N 3.35Å; H1556-L1558 PolarHBondContact O-N 3.09Å; L1558-S1561 PolarHBondContact O-OG 3.15Å
1559R29Very low30.4Very low216.8 Ų216.8120.5 Ų120.582%0.81868%0.684SS**SBendtrans-120.115.8173.1-153.9173.7-179.1173.6-0.1114.5H1556 L1557H1556-R1559 PolarHBondContact O-N 2.94Å; L1557-R1559 VanDerWaalsContact C-N 3.29Å; L1557-R1559 PolarHBondContact O-N 3.07Å
1560S28.4Very low30.2Very low90.8 Ų90.8123.4 Ų123.464%0.63570%0.695SS**SBendtrans-122.551.7170.544.10000114.2L1557L1557-S1560 PolarHBondContact O-OG 2.67Å; L1557-S1560 VanDerWaalsContact O-OG 3.12Å
1561S27Very low30Very low88 Ų88121.9 Ų121.962%0.61570%0.698SS**SBendtrans-153.249.8178.145.40000113.3V728 T729 L1558V728-S1561 VanDerWaalsContact O-O 3.09Å; T729-S1561 WeakPolarHBondContact CG2-O 3.49Å; L1558-S1561 PolarHBondContact O-OG 3.15Å
1562S27.7Very low29.9Very low105.6 Ų105.6123.5 Ų123.574%0.73871%0.713SS**  trans-145.549.7159.4700000113.6
1563T28.9Very low29.8Very low120.4 Ų120.4121.5 Ų121.574%0.73972%0.716SS**  trans-144.9101.7171.249.60000110.9A1565T1563-A1565 PolarHBondContact O-N 3.41Å
1564N26.6Very low29.7Very low166.2 Ų166.2123.8 Ų123.889%0.88972%0.721SS**  trans-130.5116.1164.1-85.7-15.3000110.9
1565A27.6Very low29.8Very low86.6 Ų86.6127.6 Ų127.672%0.71673%0.725SS**  trans-158.9137.7164.500000111.4T1563T1563-A1565 PolarHBondContact O-N 3.41Å
1566S28.5Very low29.8Very low115.6 Ų115.6132.8 Ų132.881%0.80874%0.735SS**  trans47.4114.4172.962.70000117.3V1568S1566-V1568 PolarHBondContact O-N 3.23Å
1567S28.4Very low29.6Very low107 Ų107131.6 Ų131.675%0.74873%0.734SS**  -96151105.464.20000111
1568V30.5Very low29.6Very low127 Ų127130.3 Ų130.377%0.7773%0.728SS**  trans-163138.8133.21480000110.7S1566S1566-V1568 PolarHBondContact O-N 3.23Å
1569H31.8Very low29.6Very low155 Ų155132.9 Ų132.972%0.71873%0.728SS**  trans-39.7154172.5-78.5-77.7000116.7
1570H30.4Very low29.6Very low148.8 Ų148.8129 Ų12969%0.68972%0.724SS**  170.8150.7112.5-100.4-77.4000115.2
1571D29.1Very low29.7Very low125.4 Ų125.4130.8 Ų130.867%0.67173%0.726SS**  trans58148.3136.5-64.9-23.7000119.5S1573D1571-S1573 PolarHBondContact O-N 2.85Å
1572T32.2Very low29.9Very low130.4 Ų130.4131.1 Ų131.180%0.873%0.725SS**  -33.8144.111818.20000114.6
1573S32Very low30.1Very low94.4 Ų94.4132.2 Ų132.266%0.6672%0.722SS**  -179141.186.4630000113.5D1571D1571-S1573 PolarHBondContact O-N 2.85Å
1574N29.5Very low30.3Very low137.8 Ų137.8132.1 Ų132.174%0.73772%0.717SS**  trans75.7126.1144.8-71.6-34.2000118.9
1575H32.1Very low30.6Very low157.2 Ų157.2130.5 Ų130.573%0.72871%0.708SS**  107.8117.398.6-96.7-23.2000117.2
1576K28.9Very low30.8Very low172.4 Ų172.4133.3 Ų133.375%0.7571%0.708SS**  84139123.5-100.4-176.6-178.2175.40117
1577L30.4Very low30.8Very low140 Ų140133.7 Ų133.773%0.73370%0.701SS**  111.8146.9123.8-77.4166000113.7
1578D31.1Very low31.1Very low111.8 Ų111.8134.7 Ų134.760%0.59870%0.699SS**  cis170.8153.4-8.4-119.73.7000114.4
1579R30.7Very low31.1Very low192.8 Ų192.8132.6 Ų132.673%0.72869%0.689SS**  91.3129.6110.8-91.6166.4-162.4-156-1.5117.6
1580N30.1Very low31Very low136.4 Ų136.4131 Ų13173%0.72969%0.686SS**  59.9145.7122.9-59.45.8000120.5
1581N30.8Very low31Very low127 Ų127131.9 Ų131.968%0.67969%0.688SS**  cis159.8134.149.3-12319.7000115.5
1582T31.5Very low31Very low96 Ų96131.6 Ų131.659%0.58969%0.691SS**  trans57.8134.613155.50000122.1
1583N31.9Very low30.8Very low127 Ų127132.4 Ų132.468%0.67969%0.689SS**  126.8140.383.6-89.22.4000117.4
1584N32.7Very low30.6Very low120.2 Ų120.2136.3 Ų136.364%0.64369%0.694SS**  trans73.4123.6136.2-63.9-1.7000120.2
1585N32Very low30.6Very low131.2 Ų131.2136.5 Ų136.570%0.70270%0.696SS**  103.5142.8102.7-80.6-6000117.2
1586M31.6Very low30.3Very low145.2 Ų145.2134.3 Ų134.372%0.71569%0.693SS**  105.9130.695.5-85.3-88179.700116.2
1587N30.1Very low30.3Very low124 Ų124132.2 Ų132.266%0.66369%0.691SS**  trans61.9150.4135.4-69.318.5000121.1
1588D33Very low30.2Very low129.2 Ų129.2131.2 Ų131.269%0.69169%0.69SS**  168.1148.564.2-109.9-44.9000117.7
1589S31.6Very low30.1Very low82.6 Ų82.6131.3 Ų131.358%0.57869%0.691SS**  trans46.3135.7153.568.20000119.9
1590N29.1Very low29.9Very low121.6 Ų121.6132.3 Ų132.365%0.6570%0.696SS**  71.1111126-68.7-40.7000121.1
1591K31.5Very low29.9Very low168.2 Ų168.2132.2 Ų132.273%0.73169%0.694SS**  142.1125.4124.6-86.5178176.6161.50116.5
1592T27.6Very low29.8Very low117.8 Ų117.8129.9 Ų129.972%0.72369%0.686SS**  52.5126.4128.549.70000116.3
1593L28.1Very low29.7Very low147.4 Ų147.4130.8 Ų130.877%0.77269%0.694SS**  -171.413280.2-156.772.7000113.5
1594K28.7Very low29.6Very low175.6 Ų175.6129.2 Ų129.276%0.76369%0.689SS**  trans48.2140.3151.3-67.2173.8-176.5177.30117.3
1595N28.6Very low29.5Very low142.6 Ų142.6129.7 Ų129.776%0.76369%0.691SS**  trans106.9130.8131.9-77.76.4000117.2
1596T27.6Very low29.4Very low111.2 Ų111.2130.1 Ų130.168%0.68269%0.692SS**  56117.3119.360.10000116.1
1597N27.3Very low29.3Very low129.2 Ų129.2129.1 Ų129.169%0.69169%0.689SS**  trans124.1119.2141.8-69.6-4.1000112.2
1598T29.2Very low29.3Very low118.4 Ų118.4130.1 Ų130.173%0.72669%0.694SS**  46.4115.2122.553.80000113.3Y1600T1598-Y1600 PolarHBondContact O-N 2.97Å
1599N28.7Very low29.2Very low113.4 Ų113.4134.5 Ų134.561%0.60670%0.701SS**  trans-67.9142.1164.4-79.4-13.8000114.6I1601N1599-I1601 HydrophobicContact CB-CG1 3.94Å; N1599-I1601 PolarHBondContact O-N 3.07Å
1600Y25.7Very low29.1Very low213.6 Ų213.6136.3 Ų136.384%0.83870%0.703SS**  trans-63.1109.9174.1-124.6-109.7000111.7T1598 P1602T1598-Y1600 PolarHBondContact O-N 2.97Å; Y1600-P1602 WeakPolarHBondContact O-CD 3.34Å
1601I29.8Very low29Very low134.4 Ų134.4133.6 Ų133.669%0.68970%0.704SS**  trans-106.8120.6173.3-59.7176.6000108.2N1599N1599-I1601 HydrophobicContact CB-CG1 3.94Å; N1599-I1601 PolarHBondContact O-N 3.07Å
1602P29.6Very low29Very low79.8 Ų79.8135 Ų13552%0.51871%0.706SS.*  trans-75.3149179.729.8-33.6000111.7Y1600 T1604Y1600-P1602 WeakPolarHBondContact O-CD 3.34Å; P1602-T1604 HydrophobicContact CB-CG2 4.25Å; P1602-T1604 PolarHBondContact O-N 3.27Å; P1602-T1604 PolarHBondContact O-OG1 3.1Å
1603P28.5Very low29Very low115.2 Ų115.2133.8 Ų133.875%0.74870%0.702SS**THydrogen-bonded Turntrans-85.854.717933.2-35.1000113.5N1605P1603-N1605 VanDerWaalsContact C-N 3.33Å; P1603-N1605 PolarHBondContact O-N 3.45Å
1604T30.1Very low29.2Very low93 Ų93129.9 Ų129.957%0.57169%0.691SS**THydrogen-bonded Turntrans-97.3-26.2-178.748.40000113.3P1602 L1606 N1608P1602-T1604 HydrophobicContact CB-CG2 4.25Å; P1602-T1604 PolarHBondContact O-N 3.27Å; P1602-T1604 PolarHBondContact O-OG1 3.1Å; T1604-L1606 PolarHBondContact O-N 3.06Å; T1604-N1608 PolarHBondContact O-ND2 3.37Å
1605N30.8Very low29.4Very low130 Ų130124.3 Ų124.370%0.69567%0.674SS**SBendtrans-89.73.5-176.9-66.8-22.3000115.7P1603 I1607P1603-N1605 VanDerWaalsContact C-N 3.33Å; P1603-N1605 PolarHBondContact O-N 3.45Å; N1605-I1607 PolarHBondContact O-N 3.06Å
1606L29.2Very low29.7Very low139 Ų139121 Ų12173%0.72866%0.656SS**THydrogen-bonded Turntrans-99.4-10.8170.3-97.7162.4000113.3T1604 N1608 R1609 I1610T1604-L1606 PolarHBondContact O-N 3.06Å; L1606-N1608 PolarHBondContact O-N 3.15Å; L1606-N1608 VanDerWaalsContact O-N 3.16Å; L1606-R1609 PolarHBondContact O-N 3.17Å; L1606-I1610 PolarHBondContact O-N 3.22Å
1607I29.8Very low30.1Very low125.6 Ų125.6118.4 Ų118.464%0.64464%0.641SS**G310 helixtrans-72.3-23.6180-65.6171.5000111.4N1605 R1609 I1610N1605-I1607 PolarHBondContact O-N 3.06Å; I1607-R1609 VanDerWaalsContact C-N 3.3Å; I1607-R1609 PolarHBondContact O-N 3.03Å; I1607-I1610 WeakPolarHBondContact O-CB 3.48Å; I1607-I1610 VanDerWaalsContact O-CG1 3.28Å; I1607-I1610 WeakPolarHBondContact O-CG1 3.31Å; I1607-I1610 PolarHBondContact O-N 3.13Å
1608N30.9Very low30.5Very low145.2 Ų145.2115.7 Ų115.778%0.77663%0.626SS**THydrogen-bonded Turntrans-7115.9-179.4-68.7-28.6000115.6T1604 L1606T1604-N1608 PolarHBondContact O-ND2 3.37Å; L1606-N1608 PolarHBondContact O-N 3.15Å; L1606-N1608 VanDerWaalsContact O-N 3.16Å
1609R29.8Very low30.8Very low221.6 Ų221.6115 Ų11584%0.83662%0.618SS**THydrogen-bonded Turntrans-123.14167.2-145.8172-108.1-145.8-0.5114.7L1606 I1607 G1611L1606-R1609 PolarHBondContact O-N 3.17Å; I1607-R1609 VanDerWaalsContact C-N 3.3Å; I1607-R1609 PolarHBondContact O-N 3.03Å; R1609-G1611 PolarHBondContact O-N 3.27Å
1610I29.5Very low31.2Very low119.2 Ų119.2113.4 Ų113.461%0.61161%0.606SS**  trans-102.979.4173.8-53.1174.2000111.1L1606 I1607 Y1612L1606-I1610 PolarHBondContact O-N 3.22Å; I1607-I1610 WeakPolarHBondContact O-CB 3.48Å; I1607-I1610 VanDerWaalsContact O-CG1 3.28Å; I1607-I1610 WeakPolarHBondContact O-CG1 3.31Å; I1607-I1610 PolarHBondContact O-N 3.13Å; I1610-Y1612 VanDerWaalsContact C-N 3.34Å; I1610-Y1612 HydrophobicContact CG2-CD2 4.37Å; I1610-Y1612 HydrophobicContact CG2-CE1 4.28Å; I1610-Y1612 HydrophobicContact CG2-CE2 4.07Å; I1610-Y1612 WeakPolarHBondContact O-CD2 3.49Å; I1610-Y1612 PolarHBondContact O-N 2.94Å; I1610-Y1612 VanDerWaalsContact O-N 3.08Å
1611G28.4Very low31.8Very low64.6 Ų64.6106.5 Ų106.567%0.66658%0.583SS**  trans-79.896.9174.500000113R1609 S1613R1609-G1611 PolarHBondContact O-N 3.27Å; G1611-S1613 VanDerWaalsContact C-N 3.28Å; G1611-S1613 PolarHBondContact O-N 3.34Å
1612Y30.2Very low31.9Very low199.2 Ų199.2105 Ų10578%0.78158%0.575SS**  trans-89.194164.5-72.2-67.5000113.4I1610 A1614 D1669 P1671I1610-Y1612 VanDerWaalsContact C-N 3.34Å; I1610-Y1612 HydrophobicContact CG2-CD2 4.37Å; I1610-Y1612 HydrophobicContact CG2-CE1 4.28Å; I1610-Y1612 HydrophobicContact CG2-CE2 4.07Å; I1610-Y1612 WeakPolarHBondContact O-CD2 3.49Å; I1610-Y1612 PolarHBondContact O-N 2.94Å; I1610-Y1612 VanDerWaalsContact O-N 3.08Å; Y1612-A1614 PolarHBondContact O-N 2.94Å; Y1612-D1669 CarbonylContact O-C 3.58Å; Y1612-D1669 VanDerWaalsContact O-C 3.27Å; Y1612-P1671 HydrophobicContact CD1-CG 3.62Å; Y1612-P1671 HydrophobicContact CE1-CG 4.21Å; Y1612-P1671 HydrophobicContact CG-CG 3.83Å
1613S28.9Very low31.9Very low91.6 Ų91.6104 Ų10464%0.64157%0.57SS**  trans-85.7111.3-179.259.50000112.6G1611 S1615 L1668G1611-S1613 VanDerWaalsContact C-N 3.28Å; G1611-S1613 PolarHBondContact O-N 3.34Å; S1613-S1615 PolarHBondContact O-N 2.8Å; S1613-L1668 CarbonylContact C-O 3.46Å; S1613-L1668 VanDerWaalsContact CA-O 3.31Å; S1613-L1668 WeakPolarHBondContact CA-O 3.39Å
1614A31.9Very low32Very low66.2 Ų66.2102 Ų10255%0.54756%0.559SS.*  trans-99.8136170.100000111L1551 Y1612 L1616 L1668 Y1670L1551-A1614 PolarHBondContact N-O 3.01Å; Y1612-A1614 PolarHBondContact O-N 2.94Å; A1614-L1616 PolarHBondContact O-N 2.94Å; A1614-L1668 WeakPolarHBondContact CB-O 3.47Å; A1614-L1668 PolarHBondContact N-O 3.36Å; A1614-Y1670 VanDerWaalsContact CB-O 3.29Å; A1614-Y1670 WeakPolarHBondContact CB-O 3.28Å
1615S32.2Very low32Very low56.4 Ų56.4105.1 Ų105.139%0.39457%0.565SS.*  trans-94.8124.3174.848.30000111.1S1340 L1543 S1613S1340-S1615 WeakPolarHBondContact CB-O 3.46Å; S1340-S1615 WeakPolarHBondContact CB-OG 3.42Å; L1543-S1615 PolarHBondContact O-OG 3.47Å; S1613-S1615 PolarHBondContact O-N 2.8Å
1616L34.5Very low32Very low74.8 Ų74.8103.3 Ų103.339%0.39256%0.563SS.*  trans-100136.6172.1-78.3152.5000109.8L1551 A1614 I1618 F1620 I1621 F1677L1551-L1616 HydrophobicContact CD1-CD1 4.11Å; A1614-L1616 PolarHBondContact O-N 2.94Å; L1616-I1618 PolarHBondContact O-N 2.85Å; L1616-F1620 HydrophobicContact CB-CB 4.09Å; L1616-F1620 HydrophobicContact CD2-CB 4.11Å; L1616-F1620 HydrophobicContact CD2-CD1 4.32Å; L1616-F1620 HydrophobicContact CD2-CG 4.25Å; L1616-I1621 HydrophobicContact CB-CD1 4.48Å; L1616-I1621 HydrophobicContact CB-CG1 4.44Å; L1616-F1677 HydrophobicContact CD1-CE1 4.04Å
1617P36.6Very low32.1Very low55 Ų55105 Ų10536%0.35756%0.56SS.*  trans-64.3145.5176.9-13.221.2000112.5N1619 F1620 F1677P1617-N1619 VanDerWaalsContact C-N 3.27Å; P1617-N1619 PolarHBondContact O-N 3.12Å; P1617-F1620 HydrophobicContact CB-CD2 4.11Å; P1617-F1620 HydrophobicContact CG-CD2 4.08Å; P1617-F1620 HydrophobicContact CG-CE2 4.25Å; P1617-F1620 WeakPolarHBondContact O-CB 3.14Å; P1617-F1620 PolarHBondContact O-N 3.15Å; P1617-F1677 HydrophobicContact CG-CD2 4.39Å
1618I36.1Very low31.9Very low73.6 Ų73.6104.2 Ų104.238%0.37756%0.564SS.*Hα-helixtrans-64.3-22.2-174.7-76.8168.7000113L1547 L1549 L1616 F1620 I1621 N1622 F1677 P1679 L1688L1547-I1618 HydrophobicContact CB-CD1 4.07Å; L1549-I1618 HydrophobicContact CD1-CD1 4.4Å; L1549-I1618 HydrophobicContact CD1-CG1 3.99Å; L1549-I1618 HydrophobicContact CG-CG1 4.29Å; L1616-I1618 PolarHBondContact O-N 2.85Å; I1618-F1620 VanDerWaalsContact C-N 3.33Å; I1618-F1620 PolarHBondContact O-N 3.37Å; I1618-I1621 PolarHBondContact O-N 3.23Å; I1618-N1622 PolarHBondContact O-ND2 3.48Å; I1618-F1677 HydrophobicContact CG2-CD1 4.39Å; I1618-P1679 HydrophobicContact CD1-CG 4.03Å; I1618-L1688 HydrophobicContact CD1-CD2 4.1Å
1619N36.4Very low31.8Very low104 Ų104106.3 Ų106.356%0.55657%0.569SS**Hα-helixtrans-87.8-12.6175.1-79.5-13.2000114.4P1617 I1621 N1622P1617-N1619 VanDerWaalsContact C-N 3.27Å; P1617-N1619 PolarHBondContact O-N 3.12Å; N1619-I1621 VanDerWaalsContact C-N 3.3Å; N1619-I1621 PolarHBondContact O-N 3.13Å; N1619-N1622 PolarHBondContact O-N 3.03Å
1620F35.8Very low31.8Very low79.8 Ų79.8100.9 Ų100.935%0.3557%0.565SS.*Hα-helixtrans-86.7-20.7179.1-88-88.9000113.1M1371 L1616 P1617 I1618 N1622 S1623 S1624 L1660 L1681 I1684M1371-F1620 HydrophobicContact CE-CE1 3.47Å; M1371-F1620 VanDerWaalsContact CE-CE1 3.47Å; M1371-F1620 HydrophobicContact CE-CZ 3.36Å; L1616-F1620 HydrophobicContact CB-CB 4.09Å; L1616-F1620 HydrophobicContact CD2-CB 4.11Å; L1616-F1620 HydrophobicContact CD2-CD1 4.32Å; L1616-F1620 HydrophobicContact CD2-CG 4.25Å; P1617-F1620 HydrophobicContact CB-CD2 4.11Å; P1617-F1620 HydrophobicContact CG-CD2 4.08Å; P1617-F1620 HydrophobicContact CG-CE2 4.25Å; P1617-F1620 WeakPolarHBondContact O-CB 3.14Å; P1617-F1620 PolarHBondContact O-N 3.15Å; I1618-F1620 VanDerWaalsContact C-N 3.33Å; I1618-F1620 PolarHBondContact O-N 3.37Å; F1620-N1622 VanDerWaalsContact C-N 3.33Å; F1620-N1622 PolarHBondContact O-N 3.4Å; F1620-S1623 WeakPolarHBondContact CA-OG 3.37Å; F1620-S1623 PolarHBondContact O-N 3.44Å; F1620-S1623 PolarHBondContact O-OG 3.14Å; F1620-S1624 WeakPolarHBondContact O-CB 3.45Å; F1620-S1624 PolarHBondContact O-N 2.85Å; F1620-S1624 VanDerWaalsContact O-N 3.16Å; F1620-S1624 PolarHBondContact O-OG 3.45Å; F1620-L1660 HydrophobicContact CE1-CD1 3.75Å; F1620-L1681 HydrophobicContact CD2-CB 3.9Å; F1620-L1681 HydrophobicContact CE2-CB 3.64Å; F1620-L1681 HydrophobicContact CE2-CD1 3.69Å; F1620-L1681 HydrophobicContact CE2-CD2 4Å; F1620-L1681 HydrophobicContact CE2-CG 3.95Å; F1620-L1681 HydrophobicContact CZ-CB 4.24Å; F1620-L1681 HydrophobicContact CZ-CD1 3.88Å; F1620-I1684 HydrophobicContact CE1-CD1 3.73Å; F1620-I1684 HydrophobicContact CZ-CD1 4.11Å
1621I38.5Very low31.7Very low69.2 Ų69.297.9 Ų97.936%0.35556%0.563SS.*Hα-helixtrans-71.1-13.5-176.5-60.3173.6000111.3L1549 L1616 I1618 N1619 S1623 S1624 F1625 T1678 P1679L1549-I1621 HydrophobicContact CB-CD1 4.29Å; L1549-I1621 HydrophobicContact CD1-CD1 3.5Å; L1616-I1621 HydrophobicContact CB-CD1 4.48Å; L1616-I1621 HydrophobicContact CB-CG1 4.44Å; I1618-I1621 PolarHBondContact O-N 3.23Å; N1619-I1621 VanDerWaalsContact C-N 3.3Å; N1619-I1621 PolarHBondContact O-N 3.13Å; I1621-S1623 VanDerWaalsContact C-N 3.28Å; I1621-S1623 PolarHBondContact O-N 3.17Å; I1621-S1624 PolarHBondContact O-N 3.09Å; I1621-F1625 HydrophobicContact CG2-CD2 3.76Å; I1621-F1625 HydrophobicContact CG2-CE2 4.07Å; I1621-F1625 PolarHBondContact O-N 2.98Å; I1621-F1625 VanDerWaalsContact O-N 3.08Å; I1621-T1678 HydrophobicContact CD1-CG2 4.33Å; I1621-T1678 HydrophobicContact CG1-CG2 4.23Å; I1621-P1679 HydrophobicContact CG2-CB 3.81Å; I1621-P1679 HydrophobicContact CG2-CG 3.88Å
1622N31.9Very low31.8Very low101 Ų101101.9 Ų101.954%0.5457%0.568SS.*Hα-helixtrans-103.212.6174.7-142.624000115.7I1618 N1619 F1620 Q1649 D1674 F1677I1618-N1622 PolarHBondContact O-ND2 3.48Å; N1619-N1622 PolarHBondContact O-N 3.03Å; F1620-N1622 VanDerWaalsContact C-N 3.33Å; F1620-N1622 PolarHBondContact O-N 3.4Å; N1622-Q1649 VanDerWaalsContact O-CG 3.25Å; N1622-Q1649 WeakPolarHBondContact O-CG 3.37Å; N1622-Q1649 PolarHBondContact O-OE1 3.46Å; N1622-Q1649 VanDerWaalsContact O-OE1 3.06Å; N1622-D1674 PolarHBondContact ND2-O 3.07Å; N1622-F1677 HydrophobicContact CB-CB 4.33Å; N1622-F1677 WeakPolarHBondContact OD1-CD2 3.32Å; N1622-F1677 WeakPolarHBondContact OD1-CG 3.42Å
1623S30.1Very low32Very low59 Ų59100.6 Ų100.641%0.41356%0.563SS.*  trans-88.993170.4590000114.8R1368 F1620 I1621 Q1649R1368-S1623 PolarHBondContact NH2-O 3.03Å; R1368-S1623 PolarHBondContact NH2-OG 2.86Å; F1620-S1623 WeakPolarHBondContact CA-OG 3.37Å; F1620-S1623 PolarHBondContact O-N 3.44Å; F1620-S1623 PolarHBondContact O-OG 3.14Å; I1621-S1623 VanDerWaalsContact C-N 3.28Å; I1621-S1623 PolarHBondContact O-N 3.17Å; S1623-Q1649 PolarHBondContact O-OE1 2.78Å; S1623-Q1649 VanDerWaalsContact O-OE1 3.14Å
1624S30.8Very low32.4Very low73.8 Ų73.899.2 Ų99.252%0.51655%0.551SS.*  trans-143.120.7169-55.90000115.4R1368 F1620 I1621 S1626 R1627 Q1649R1368-S1624 PolarHBondContact NH1-OG 3.16Å; F1620-S1624 WeakPolarHBondContact O-CB 3.45Å; F1620-S1624 PolarHBondContact O-N 2.85Å; F1620-S1624 VanDerWaalsContact O-N 3.16Å; F1620-S1624 PolarHBondContact O-OG 3.45Å; I1621-S1624 PolarHBondContact O-N 3.09Å; S1624-S1626 PolarHBondContact O-N 3.28Å; S1624-S1626 VanDerWaalsContact O-N 3.07Å; S1624-R1627 PolarHBondContact O-N 3.45Å; S1624-Q1649 PolarHBondContact OG-NE2 3.06Å; S1624-Q1649 PolarHBondContact OG-OE1 3.22Å
1625F30.1Very low32.8Very low158.6 Ų158.6104.1 Ų104.170%0.69657%0.567SS**  trans-96.834.7172.1-112.5-83.3000113.9S1553 I1621 R1627 T1678S1553-F1625 WeakPolarHBondContact OG-CE1 3.45Å; I1621-F1625 HydrophobicContact CG2-CD2 3.76Å; I1621-F1625 HydrophobicContact CG2-CE2 4.07Å; I1621-F1625 PolarHBondContact O-N 2.98Å; I1621-F1625 VanDerWaalsContact O-N 3.08Å; F1625-R1627 VanDerWaalsContact C-N 3.29Å; F1625-R1627 PolarHBondContact O-N 3.2Å; F1625-T1678 HydrophobicContact CD2-CG2 3.81Å; F1625-T1678 HydrophobicContact CE2-CG2 3.93Å
1626S31.2Very low33.2Very low92.6 Ų92.6109.5 Ų109.565%0.64859%0.586SS**SBendtrans-105.521.8172.7177.10000113.9S1624S1624-S1626 PolarHBondContact O-N 3.28Å; S1624-S1626 VanDerWaalsContact O-N 3.07Å
1627R30Very low33.1Very low175 Ų175107.7 Ų107.766%0.6659%0.586SS**SBendtrans-136.330.4174.4-110.5177.9-142.7-153.2-4.6114.7I1365 S1624 F1625 H1629 M1652I1365-R1627 VanDerWaalsContact CD1-NH2 3.29Å; S1624-R1627 PolarHBondContact O-N 3.45Å; F1625-R1627 VanDerWaalsContact C-N 3.29Å; F1625-R1627 PolarHBondContact O-N 3.2Å; R1627-H1629 VanDerWaalsContact C-N 3.25Å; R1627-H1629 PolarHBondContact O-N 3.1Å; R1627-M1652 PolarHBondContact NH1-O 2.81Å; R1627-M1652 PolarHBondContact NH2-O 3.08Å
1628C26.8Very low33Very low108.6 Ų108.6110.6 Ų110.673%0.73460%0.599SS**  trans-121.287.1163.7-94.70000111.2S1630 D1674C1628-S1630 PolarHBondContact O-N 3.28Å; C1628-D1674 PolarHBondContact SG-OD2 3.32Å
1629H27.7Very low32.9Very low189.2 Ų189.2112.1 Ų112.188%0.87661%0.613SS**  trans-87.981.5177.9-73.5-54000111.8R1627 G1631R1627-H1629 VanDerWaalsContact C-N 3.25Å; R1627-H1629 PolarHBondContact O-N 3.1Å; H1629-G1631 PolarHBondContact O-N 2.97Å
1630S29.6Very low32.6Very low108.2 Ų108.2112.2 Ų112.276%0.75762%0.617SS**  trans-105.8109.5156.3-169.60000108.4C1628 I1632C1628-S1630 PolarHBondContact O-N 3.28Å; S1630-I1632 PolarHBondContact O-N 3.15Å; S1630-I1632 VanDerWaalsContact O-N 3.13Å
1631G29.1Very low32.4Very low55.6 Ų55.6113.1 Ų113.157%0.57363%0.633SS**  trans-74.7107.5-179.100000111H1629 Y1633H1629-G1631 PolarHBondContact O-N 2.97Å; G1631-Y1633 VanDerWaalsContact C-N 3.29Å; G1631-Y1633 VanDerWaalsContact O-CD2 3.27Å; G1631-Y1633 WeakPolarHBondContact O-CD2 3.36Å; G1631-Y1633 PolarHBondContact O-N 3.25Å; G1631-Y1633 VanDerWaalsContact O-N 3.1Å
1632I30.2Very low32.1Very low149 Ų149116.1 Ų116.176%0.76465%0.649SS**  trans-7697166.9-57.6178.4000107.3S1630S1630-I1632 PolarHBondContact O-N 3.15Å; S1630-I1632 VanDerWaalsContact O-N 3.13Å
1633Y34.2Very low31.9Very low171.2 Ų171.2118.2 Ų118.267%0.67166%0.66SS**  trans-71144.1168.7-72.2-87000110G1631 G1637G1631-Y1633 VanDerWaalsContact C-N 3.29Å; G1631-Y1633 VanDerWaalsContact O-CD2 3.27Å; G1631-Y1633 WeakPolarHBondContact O-CD2 3.36Å; G1631-Y1633 PolarHBondContact O-N 3.25Å; G1631-Y1633 VanDerWaalsContact O-N 3.1Å; Y1633-G1637 VanDerWaalsContact CD1-O 3.27Å; Y1633-G1637 WeakPolarHBondContact CD1-O 3.36Å; Y1633-G1637 WeakPolarHBondContact CE1-O 3.23Å
1634T37.3Very low31.9Very low63.4 Ų63.4123.2 Ų123.239%0.38967%0.674SS.*  trans-78.8163.6160.258.10000109.6H1636 G1637 D1638 V1640T1634-H1636 PolarHBondContact O-N 3.06Å; T1634-H1636 PolarHBondContact OG1-N 3.27Å; T1634-G1637 PolarHBondContact O-N 3.16Å; T1634-D1638 PolarHBondContact OG1-N 2.98Å; T1634-D1638 PolarHBondContact OG1-O 3.18Å; T1634-D1638 VanDerWaalsContact OG1-O 3.08Å; T1634-V1640 HydrophobicContact CG2-CG2 3.97Å
1635D39.8Very low31.8Very low167.4 Ų167.4129.2 Ų129.290%0.89569%0.691SS**THydrogen-bonded Turntrans-61.81.8175.4-65-44000114.2
1636H39.8Very low31.9Very low170.6 Ų170.6128.3 Ų128.379%0.7969%0.689SS**THydrogen-bonded Turntrans-120.611.3177.1-61-18.4000113.3T1634 D1638T1634-H1636 PolarHBondContact O-N 3.06Å; T1634-H1636 PolarHBondContact OG1-N 3.27Å; H1636-D1638 VanDerWaalsContact C-N 3.3Å; H1636-D1638 PolarHBondContact O-N 2.93Å
1637G33.7Very low31.9Very low37.6 Ų37.6128.8 Ų128.839%0.38869%0.69SS.*  trans80.8-9.6169.700000116.4Y1633 T1634 P1639Y1633-G1637 VanDerWaalsContact CD1-O 3.27Å; Y1633-G1637 WeakPolarHBondContact CD1-O 3.36Å; Y1633-G1637 WeakPolarHBondContact CE1-O 3.23Å; T1634-G1637 PolarHBondContact O-N 3.16Å; G1637-P1639 WeakPolarHBondContact O-CD 3.46Å
1638D34.2Very low31.9Very low116.2 Ų116.2128.4 Ų128.462%0.62169%0.693SS**  trans-77.5130.5-179.1-83.7-36.6000112.9T1634 H1636 V1640T1634-D1638 PolarHBondContact OG1-N 2.98Å; T1634-D1638 PolarHBondContact OG1-O 3.18Å; T1634-D1638 VanDerWaalsContact OG1-O 3.08Å; H1636-D1638 VanDerWaalsContact C-N 3.3Å; H1636-D1638 PolarHBondContact O-N 2.93Å; D1638-V1640 PolarHBondContact O-N 3.26Å
1639P33.3Very low32.2Very low104.2 Ų104.2129.3 Ų129.368%0.67769%0.687SS**  trans-84.6109.9178.432.1-33.4000112.4G1637 S1641G1637-P1639 WeakPolarHBondContact O-CD 3.46Å; P1639-S1641 PolarHBondContact O-N 3.14Å
1640V31.6Very low32.4Very low105.6 Ų105.6127.6 Ų127.664%0.6469%0.685SS**  trans-83.3110.4-179.8-177.70000111.4T1634 D1638 I1642T1634-V1640 HydrophobicContact CG2-CG2 3.97Å; D1638-V1640 PolarHBondContact O-N 3.26Å; V1640-I1642 HydrophobicContact CG1-CG1 4.22Å; V1640-I1642 PolarHBondContact O-N 3.29Å
1641S31.4Very low32.8Very low100 Ų100126.9 Ų126.970%0.69968%0.68SS**  trans-86.4109.4178.454.50000112.9P1639 N1643P1639-S1641 PolarHBondContact O-N 3.14Å; S1641-N1643 PolarHBondContact O-N 3.27Å; S1641-N1643 VanDerWaalsContact O-N 3.16Å
1642I30.6Very low33.3Very low131.6 Ų131.6127.6 Ų127.668%0.67567%0.669SS**  trans-88.998.7179.2-52.6180000110.4V1640 F1644V1640-I1642 HydrophobicContact CG1-CG1 4.22Å; V1640-I1642 PolarHBondContact O-N 3.29Å; I1642-F1644 VanDerWaalsContact C-N 3.32Å; I1642-F1644 HydrophobicContact CG2-CD2 3.73Å; I1642-F1644 VanDerWaalsContact CG2-CD2 3.43Å; I1642-F1644 HydrophobicContact CG2-CE2 3.76Å; I1642-F1644 VanDerWaalsContact CG2-CE2 3.5Å; I1642-F1644 HydrophobicContact CG2-CG 4.42Å; I1642-F1644 PolarHBondContact O-N 3.19Å
1643N28.8Very low33.7Very low145.2 Ų145.2125.1 Ų125.178%0.77666%0.657SS**  trans-76.883.8178.3-90.9-61000112.9S1641 K1645S1641-N1643 PolarHBondContact O-N 3.27Å; S1641-N1643 VanDerWaalsContact O-N 3.16Å; N1643-K1645 PolarHBondContact O-N 2.95Å; N1643-K1645 VanDerWaalsContact O-N 3.08Å
1644F30Very low34Very low164 Ų164120.5 Ų120.572%0.71966%0.655SS**  trans-87.6109.7164.9-94.2-80.4000111.2I1642 Q1646I1642-F1644 VanDerWaalsContact C-N 3.32Å; I1642-F1644 HydrophobicContact CG2-CD2 3.73Å; I1642-F1644 VanDerWaalsContact CG2-CD2 3.43Å; I1642-F1644 HydrophobicContact CG2-CE2 3.76Å; I1642-F1644 VanDerWaalsContact CG2-CE2 3.5Å; I1642-F1644 HydrophobicContact CG2-CG 4.42Å; I1642-F1644 PolarHBondContact O-N 3.19Å; F1644-Q1646 PolarHBondContact O-N 3.26Å; F1644-Q1646 VanDerWaalsContact O-N 3.16Å
1645K28.5Very low34.3Very low198.8 Ų198.8125.1 Ų125.186%0.86467%0.669SS**  trans-83.8121.2170.2-71.4-172.2174.6-173.70110.3N1643N1643-K1645 PolarHBondContact O-N 2.95Å; N1643-K1645 VanDerWaalsContact O-N 3.08Å
1646Q31.7Very low34.5Very low139.8 Ų139.8121.6 Ų121.665%0.65365%0.647SS**  trans-128.2129.5177.1-148.3169.2-11.200110F1644 F1648F1644-Q1646 PolarHBondContact O-N 3.26Å; F1644-Q1646 VanDerWaalsContact O-N 3.16Å; Q1646-F1648 VanDerWaalsContact C-N 3.34Å; Q1646-F1648 PolarHBondContact O-N 3.23Å; Q1646-F1648 VanDerWaalsContact O-N 3.1Å
1647P30.7Very low34.7Very low104.2 Ų104.2116.4 Ų116.468%0.67763%0.625SS**THydrogen-bonded Turntrans-97.348.2-153.836.8-36.3000115.7
1648F31.8Very low35.2Very low165 Ų165117.3 Ų117.372%0.72463%0.629SS**  trans-144.153.8-179.7-74.1-73.9000112.1Q1646Q1646-F1648 VanDerWaalsContact C-N 3.34Å; Q1646-F1648 PolarHBondContact O-N 3.23Å; Q1646-F1648 VanDerWaalsContact O-N 3.1Å
1649Q31.7Very low35.8Very low128 Ų128113.1 Ų113.160%0.59861%0.611SS**  trans-112.96.4-163.1-151.1156.9-7.500115.7N1622 S1623 S1624 S1651N1622-Q1649 VanDerWaalsContact O-CG 3.25Å; N1622-Q1649 WeakPolarHBondContact O-CG 3.37Å; N1622-Q1649 PolarHBondContact O-OE1 3.46Å; N1622-Q1649 VanDerWaalsContact O-OE1 3.06Å; S1623-Q1649 PolarHBondContact O-OE1 2.78Å; S1623-Q1649 VanDerWaalsContact O-OE1 3.14Å; S1624-Q1649 PolarHBondContact OG-NE2 3.06Å; S1624-Q1649 PolarHBondContact OG-OE1 3.22Å; Q1649-S1651 PolarHBondContact O-N 3.09Å
1650D32.4Very low36.3Very low154.6 Ų154.6110.9 Ų110.983%0.82759%0.593SS**  trans-114.744.6-162.8-54-53.4000114.2
1651S38.3Very low37Very low92.8 Ų92.8109.6 Ų109.665%0.64958%0.581SS**SBendtrans-144.515.4-173.869.70000118.4Q1649Q1649-S1651 PolarHBondContact O-N 3.09Å
1652M38.7Very low37.6Very low71.2 Ų71.2113.9 Ų113.935%0.35158%0.582SS.*  trans-153.7123.3165.4-131.3175.974.900110.7F1552 R1627 E1656 L1657 L1660 I1684F1552-M1652 HydrophobicContact CE2-SD 4.42Å; R1627-M1652 PolarHBondContact NH1-O 2.81Å; R1627-M1652 PolarHBondContact NH2-O 3.08Å; M1652-E1656 VanDerWaalsContact CA-OE2 3.3Å; M1652-E1656 WeakPolarHBondContact CA-OE2 3.28Å; M1652-E1656 HydrophobicContact CE-CB 4.21Å; M1652-E1656 HydrophobicContact CG-CB 3.98Å; M1652-E1656 VanDerWaalsContact CG-OE2 3.23Å; M1652-E1656 WeakPolarHBondContact CG-OE2 3.44Å; M1652-E1656 HydrophobicContact SD-CB 4.45Å; M1652-L1657 HydrophobicContact CE-CB 4.19Å; M1652-L1657 HydrophobicContact CE-CD1 3.96Å; M1652-L1657 HydrophobicContact CE-CG 4.47Å; M1652-L1660 HydrophobicContact CE-CD1 3.77Å; M1652-L1660 HydrophobicContact SD-CD1 4.21Å; M1652-I1684 HydrophobicContact SD-CD1 3.8Å
1653D39.4Very low38Very low94.8 Ų94.8113.8 Ų113.851%0.50758%0.577SS.*  trans-81.9156.7-175.6-16119.8000111.7K1655 E1656 L1657D1653-K1655 PolarHBondContact O-N 3.08Å; D1653-K1655 IonicContact OD2-NZ 3.85Å; D1653-E1656 HydrophobicContact CB-CB 4.43Å; D1653-E1656 HydrophobicContact CB-CG 4.15Å; D1653-E1656 WeakPolarHBondContact CB-OE1 3.3Å; D1653-E1656 VanDerWaalsContact N-CD 3.27Å; D1653-E1656 PolarHBondContact N-OE1 3.42Å; D1653-E1656 PolarHBondContact N-OE2 3.03Å; D1653-E1656 WeakPolarHBondContact O-CA 3.23Å; D1653-E1656 WeakPolarHBondContact O-CB 3.43Å; D1653-E1656 PolarHBondContact O-N 3.15Å; D1653-E1656 VanDerWaalsContact O-N 3.08Å; D1653-L1657 PolarHBondContact O-N 3.08Å
1654A41.1Very low38.7Very low75.8 Ų75.8108.8 Ų108.863%0.62655%0.554SS**Hα-helixtrans-60.3-27.7-177.400000112.8A1658A1654-A1658 VanDerWaalsContact O-CB 3.26Å; A1654-A1658 WeakPolarHBondContact O-CB 3.33Å; A1654-A1658 PolarHBondContact O-N 3.19Å; A1654-A1658 VanDerWaalsContact O-N 3.11Å
1655K42.7Very low39.2Very low159.6 Ų159.6104.6 Ų104.669%0.69454%0.543SS*.Hα-helixtrans-70.5-36.5173.7-66173.9-176.5164.90112.8D1653 L1657 A1658 A1659D1653-K1655 PolarHBondContact O-N 3.08Å; D1653-K1655 IonicContact OD2-NZ 3.85Å; K1655-L1657 VanDerWaalsContact C-N 3.32Å; K1655-L1657 PolarHBondContact O-N 3.37Å; K1655-A1658 WeakPolarHBondContact O-CB 3.3Å; K1655-A1658 PolarHBondContact O-N 3.02Å; K1655-A1659 VanDerWaalsContact O-CB 3.27Å; K1655-A1659 WeakPolarHBondContact O-CB 3.37Å; K1655-A1659 PolarHBondContact O-N 3.15Å
1656E43.8Very low39.9Very low93.2 Ų93.2100.3 Ų100.344%0.43653%0.528SS..Hα-helixtrans-71.9-39.7179.5-62.4172.814500110.5M1652 D1653 A1658 A1659 L1660M1652-E1656 VanDerWaalsContact CA-OE2 3.3Å; M1652-E1656 WeakPolarHBondContact CA-OE2 3.28Å; M1652-E1656 HydrophobicContact CE-CB 4.21Å; M1652-E1656 HydrophobicContact CG-CB 3.98Å; M1652-E1656 VanDerWaalsContact CG-OE2 3.23Å; M1652-E1656 WeakPolarHBondContact CG-OE2 3.44Å; M1652-E1656 HydrophobicContact SD-CB 4.45Å; D1653-E1656 HydrophobicContact CB-CB 4.43Å; D1653-E1656 HydrophobicContact CB-CG 4.15Å; D1653-E1656 WeakPolarHBondContact CB-OE1 3.3Å; D1653-E1656 VanDerWaalsContact N-CD 3.27Å; D1653-E1656 PolarHBondContact N-OE1 3.42Å; D1653-E1656 PolarHBondContact N-OE2 3.03Å; D1653-E1656 WeakPolarHBondContact O-CA 3.23Å; D1653-E1656 WeakPolarHBondContact O-CB 3.43Å; D1653-E1656 PolarHBondContact O-N 3.15Å; D1653-E1656 VanDerWaalsContact O-N 3.08Å; E1656-A1658 PolarHBondContact O-N 2.99Å; E1656-A1659 WeakPolarHBondContact O-CB 3.41Å; E1656-A1659 PolarHBondContact O-N 3.12Å; E1656-L1660 WeakPolarHBondContact O-CB 3.46Å; E1656-L1660 PolarHBondContact O-N 3.18Å
1657L44.6Very low40.2Very low62.6 Ų62.696.9 Ų96.933%0.32851%0.514SS..Hα-helixtrans-62.1-45.2170.6-170.872.7000111.5M1652 D1653 K1655 A1659 L1660 L1661 P1679M1652-L1657 HydrophobicContact CE-CB 4.19Å; M1652-L1657 HydrophobicContact CE-CD1 3.96Å; M1652-L1657 HydrophobicContact CE-CG 4.47Å; D1653-L1657 PolarHBondContact O-N 3.08Å; K1655-L1657 VanDerWaalsContact C-N 3.32Å; K1655-L1657 PolarHBondContact O-N 3.37Å; L1657-A1659 VanDerWaalsContact C-N 3.31Å; L1657-A1659 PolarHBondContact O-N 3.04Å; L1657-L1660 PolarHBondContact O-N 3.13Å; L1657-L1661 HydrophobicContact CD1-CD1 3.91Å; L1657-L1661 HydrophobicContact CD1-CG 3.99Å; L1657-L1661 HydrophobicContact CD2-CD1 4.45Å; L1657-L1661 HydrophobicContact CG-CD1 4.19Å; L1657-L1661 HydrophobicContact CG-CG 4.45Å; L1657-L1661 WeakPolarHBondContact O-CB 3.41Å; L1657-L1661 VanDerWaalsContact O-CG 3.31Å; L1657-L1661 WeakPolarHBondContact O-CG 3.45Å; L1657-L1661 PolarHBondContact O-N 3.1Å; L1657-P1679 HydrophobicContact CD1-CG 3.67Å
1658A44.5Very low40.7Very low55.8 Ų55.896.9 Ų96.946%0.46151%0.508SS..Hα-helixtrans-64.4-33.9176.300000112.6A1654 K1655 E1656 L1661 R1662A1654-A1658 VanDerWaalsContact O-CB 3.26Å; A1654-A1658 WeakPolarHBondContact O-CB 3.33Å; A1654-A1658 PolarHBondContact O-N 3.19Å; A1654-A1658 VanDerWaalsContact O-N 3.11Å; K1655-A1658 WeakPolarHBondContact O-CB 3.3Å; K1655-A1658 PolarHBondContact O-N 3.02Å; E1656-A1658 PolarHBondContact O-N 2.99Å; A1658-L1661 PolarHBondContact O-N 2.89Å; A1658-R1662 VanDerWaalsContact O-CB 3.27Å; A1658-R1662 WeakPolarHBondContact O-CB 3.38Å; A1658-R1662 PolarHBondContact O-N 3.24Å; A1658-R1662 VanDerWaalsContact O-N 3.14Å
1659A45.6Very low40.9Very low29.2 Ų29.294.4 Ų94.424%0.24150%0.502CS..Hα-helixtrans-66.6-47.5172.100000111.4K1655 E1656 L1657 L1661 R1662 F1663K1655-A1659 VanDerWaalsContact O-CB 3.27Å; K1655-A1659 WeakPolarHBondContact O-CB 3.37Å; K1655-A1659 PolarHBondContact O-N 3.15Å; E1656-A1659 WeakPolarHBondContact O-CB 3.41Å; E1656-A1659 PolarHBondContact O-N 3.12Å; L1657-A1659 VanDerWaalsContact C-N 3.31Å; L1657-A1659 PolarHBondContact O-N 3.04Å; A1659-L1661 VanDerWaalsContact C-N 3.33Å; A1659-L1661 PolarHBondContact O-N 2.96Å; A1659-R1662 CarbonylContact O-C 3.54Å; A1659-R1662 WeakPolarHBondContact O-CA 3.33Å; A1659-R1662 WeakPolarHBondContact O-CB 3.4Å; A1659-R1662 PolarHBondContact O-N 3.03Å; A1659-F1663 HydrophobicContact CB-CD2 4.26Å; A1659-F1663 HydrophobicContact CB-CE2 4.24Å; A1659-F1663 WeakPolarHBondContact O-CB 3.41Å; A1659-F1663 VanDerWaalsContact O-CD2 3.28Å; A1659-F1663 WeakPolarHBondContact O-CD2 3.35Å; A1659-F1663 PolarHBondContact O-N 3.28Å; A1659-F1663 VanDerWaalsContact O-N 3.08Å
1660L43.9Very low41.2Very low57.4 Ų57.495 Ų9530%0.30150%0.5SS..Hα-helixtrans-59-45.9178.2-115.6166000112F1620 M1652 E1656 L1657 R1662 F1663 C1664 L1667F1620-L1660 HydrophobicContact CE1-CD1 3.75Å; M1652-L1660 HydrophobicContact CE-CD1 3.77Å; M1652-L1660 HydrophobicContact SD-CD1 4.21Å; E1656-L1660 WeakPolarHBondContact O-CB 3.46Å; E1656-L1660 PolarHBondContact O-N 3.18Å; L1657-L1660 PolarHBondContact O-N 3.13Å; L1660-R1662 VanDerWaalsContact C-N 3.29Å; L1660-R1662 PolarHBondContact O-N 3.07Å; L1660-F1663 PolarHBondContact O-N 3.26Å; L1660-C1664 WeakPolarHBondContact O-CA 3.24Å; L1660-C1664 WeakPolarHBondContact O-CB 3.37Å; L1660-C1664 PolarHBondContact O-N 3.17Å; L1660-C1664 VanDerWaalsContact O-N 3.11Å; L1660-L1667 HydrophobicContact CB-CD1 4.35Å; L1660-L1667 HydrophobicContact CD1-CD1 4.46Å; L1660-L1667 HydrophobicContact CD2-CD1 3.95Å
1661L45.8Very low41.4Very low77.2 Ų77.293.3 Ų93.340%0.40450%0.497SS..Hα-helixtrans-66.5-24.3176.1-67.9170.7000113.2L1657 A1658 A1659 L1667 L1668L1657-L1661 HydrophobicContact CD1-CD1 3.91Å; L1657-L1661 HydrophobicContact CD1-CG 3.99Å; L1657-L1661 HydrophobicContact CD2-CD1 4.45Å; L1657-L1661 HydrophobicContact CG-CD1 4.19Å; L1657-L1661 HydrophobicContact CG-CG 4.45Å; L1657-L1661 WeakPolarHBondContact O-CB 3.41Å; L1657-L1661 VanDerWaalsContact O-CG 3.31Å; L1657-L1661 WeakPolarHBondContact O-CG 3.45Å; L1657-L1661 PolarHBondContact O-N 3.1Å; A1658-L1661 PolarHBondContact O-N 2.89Å; A1659-L1661 VanDerWaalsContact C-N 3.33Å; A1659-L1661 PolarHBondContact O-N 2.96Å; L1661-L1667 HydrophobicContact CD2-CB 4.31Å; L1661-L1668 HydrophobicContact CD2-CD1 4.15Å; L1661-L1668 HydrophobicContact CD2-CD2 4.21Å; L1661-L1668 HydrophobicContact CD2-CG 4.21Å
1662R44.5Very low41.4Very low191.2 Ų191.295.6 Ų95.672%0.72250%0.498SS*.Hα-helixtrans-85.7-29.2177.6-170.6176.4-170.7169.24.9113.2A1658 A1659 L1660A1658-R1662 VanDerWaalsContact O-CB 3.27Å; A1658-R1662 WeakPolarHBondContact O-CB 3.38Å; A1658-R1662 PolarHBondContact O-N 3.24Å; A1658-R1662 VanDerWaalsContact O-N 3.14Å; A1659-R1662 CarbonylContact O-C 3.54Å; A1659-R1662 WeakPolarHBondContact O-CA 3.33Å; A1659-R1662 WeakPolarHBondContact O-CB 3.4Å; A1659-R1662 PolarHBondContact O-N 3.03Å; L1660-R1662 VanDerWaalsContact C-N 3.29Å; L1660-R1662 PolarHBondContact O-N 3.07Å
1663F39Very low41.3Very low128.6 Ų128.697.8 Ų97.856%0.56451%0.505SS*.Hα-helixtrans-92.7-24.8177.8-73-64000113.7Q1342 A1659 L1660 P1665Q1342-F1663 PolarHBondContact NE2-O 3.43Å; Q1342-F1663 PolarHBondContact OE1-O 2.91Å; A1659-F1663 HydrophobicContact CB-CD2 4.26Å; A1659-F1663 HydrophobicContact CB-CE2 4.24Å; A1659-F1663 WeakPolarHBondContact O-CB 3.41Å; A1659-F1663 VanDerWaalsContact O-CD2 3.28Å; A1659-F1663 WeakPolarHBondContact O-CD2 3.35Å; A1659-F1663 PolarHBondContact O-N 3.28Å; A1659-F1663 VanDerWaalsContact O-N 3.08Å; L1660-F1663 PolarHBondContact O-N 3.26Å; F1663-P1665 VanDerWaalsContact C-CD 3.41Å; F1663-P1665 VanDerWaalsContact O-CD 3.26Å; F1663-P1665 WeakPolarHBondContact O-CD 3.41Å
1664C44.2Very low41Very low41.8 Ų41.899.6 Ų99.628%0.28252%0.515SS..  trans-122.965.9-178.4-61.50000112.3L1660 I1666 L1667L1660-C1664 WeakPolarHBondContact O-CA 3.24Å; L1660-C1664 WeakPolarHBondContact O-CB 3.37Å; L1660-C1664 PolarHBondContact O-N 3.17Å; L1660-C1664 VanDerWaalsContact O-N 3.11Å; C1664-I1666 PolarHBondContact O-N 3.08Å; C1664-I1666 VanDerWaalsContact O-N 3.13Å; C1664-L1667 HydrophobicContact CB-CD1 3.71Å; C1664-L1667 HydrophobicContact CB-CG 3.92Å; C1664-L1667 VanDerWaalsContact O-CB 3.27Å; C1664-L1667 WeakPolarHBondContact O-CB 3.34Å; C1664-L1667 VanDerWaalsContact O-CG 3.29Å; C1664-L1667 WeakPolarHBondContact O-CG 3.29Å; C1664-L1667 PolarHBondContact O-N 3.09Å; C1664-L1667 VanDerWaalsContact O-N 3.12Å
1665P40.2Very low40.7Very low74.6 Ų74.6100 Ų10048%0.48451%0.513SS..G310 helixtrans-60.4-22.6179.616.1-22.6000113.9F1663 L1667 L1668 D1669F1663-P1665 VanDerWaalsContact C-CD 3.41Å; F1663-P1665 VanDerWaalsContact O-CD 3.26Å; F1663-P1665 WeakPolarHBondContact O-CD 3.41Å; P1665-L1667 PolarHBondContact O-N 3.08Å; P1665-L1667 VanDerWaalsContact O-N 3.11Å; P1665-L1668 WeakPolarHBondContact O-CA 3.48Å; P1665-L1668 WeakPolarHBondContact O-CB 3.26Å; P1665-L1668 PolarHBondContact O-N 3.09Å; P1665-L1668 VanDerWaalsContact O-N 3.15Å; P1665-D1669 PolarHBondContact O-N 2.93Å
1666I42.6Very low40.2Very low108 Ų10897 Ų9755%0.55451%0.511SS*.G310 helixtrans-56-19.7172.4-69.6169.6000112.7C1664 L1668 D1669 Y1670 P1689 Y1691C1664-I1666 PolarHBondContact O-N 3.08Å; C1664-I1666 VanDerWaalsContact O-N 3.13Å; I1666-L1668 VanDerWaalsContact C-N 3.26Å; I1666-L1668 PolarHBondContact O-N 3.22Å; I1666-D1669 WeakPolarHBondContact CA-OD2 2.94Å; I1666-Y1670 HydrophobicContact CG2-CE2 4.26Å; I1666-Y1670 WeakPolarHBondContact O-CD2 3.42Å; I1666-P1689 HydrophobicContact CD1-CG 3.96Å; I1666-Y1691 HydrophobicContact CD1-CE2 4.31Å
1667L38.8Very low39.7Very low68.8 Ų68.898.6 Ų98.636%0.3652%0.517SS..G310 helixtrans-72.3-1.4173.4-60.4176.1000114L1660 L1661 C1664 P1665 F1673 F1677 K1686L1660-L1667 HydrophobicContact CB-CD1 4.35Å; L1660-L1667 HydrophobicContact CD1-CD1 4.46Å; L1660-L1667 HydrophobicContact CD2-CD1 3.95Å; L1661-L1667 HydrophobicContact CD2-CB 4.31Å; C1664-L1667 HydrophobicContact CB-CD1 3.71Å; C1664-L1667 HydrophobicContact CB-CG 3.92Å; C1664-L1667 VanDerWaalsContact O-CB 3.27Å; C1664-L1667 WeakPolarHBondContact O-CB 3.34Å; C1664-L1667 VanDerWaalsContact O-CG 3.29Å; C1664-L1667 WeakPolarHBondContact O-CG 3.29Å; C1664-L1667 PolarHBondContact O-N 3.09Å; C1664-L1667 VanDerWaalsContact O-N 3.12Å; P1665-L1667 PolarHBondContact O-N 3.08Å; P1665-L1667 VanDerWaalsContact O-N 3.11Å; L1667-F1673 VanDerWaalsContact C-CE2 3.43Å; L1667-F1673 VanDerWaalsContact CA-CZ 3.44Å; L1667-F1673 HydrophobicContact CB-CE1 4.13Å; L1667-F1673 HydrophobicContact CB-CE2 4.27Å; L1667-F1673 HydrophobicContact CB-CZ 3.82Å; L1667-F1673 HydrophobicContact CD2-CE1 4.11Å; L1667-F1673 HydrophobicContact CD2-CZ 3.8Å; L1667-F1673 HydrophobicContact CG-CZ 4.2Å; L1667-F1673 VanDerWaalsContact O-CE2 3.28Å; L1667-F1673 WeakPolarHBondContact O-CE2 3.36Å; L1667-F1673 WeakPolarHBondContact O-CZ 3.49Å; L1667-F1677 HydrophobicContact CD2-CE2 4.45Å; L1667-F1677 HydrophobicContact CD2-CZ 4.43Å; L1667-K1686 HydrophobicContact CD2-CB 3.7Å; L1667-K1686 HydrophobicContact CD2-CD 3.69Å; L1667-K1686 HydrophobicContact CD2-CG 4.29Å; L1667-K1686 PolarHBondContact O-NZ 2.74Å
1668L40.4Very low39.3Very low104.6 Ų104.699.6 Ų99.655%0.54853%0.526SS..G310 helixtrans-112.6-13.2-177.9-67.5162.7000114.6A1555 S1613 A1614 L1661 P1665 I1666 Y1670A1555-L1668 HydrophobicContact CB-CD2 3.93Å; S1613-L1668 CarbonylContact C-O 3.46Å; S1613-L1668 VanDerWaalsContact CA-O 3.31Å; S1613-L1668 WeakPolarHBondContact CA-O 3.39Å; A1614-L1668 WeakPolarHBondContact CB-O 3.47Å; A1614-L1668 PolarHBondContact N-O 3.36Å; L1661-L1668 HydrophobicContact CD2-CD1 4.15Å; L1661-L1668 HydrophobicContact CD2-CD2 4.21Å; L1661-L1668 HydrophobicContact CD2-CG 4.21Å; P1665-L1668 WeakPolarHBondContact O-CA 3.48Å; P1665-L1668 WeakPolarHBondContact O-CB 3.26Å; P1665-L1668 PolarHBondContact O-N 3.09Å; P1665-L1668 VanDerWaalsContact O-N 3.15Å; I1666-L1668 VanDerWaalsContact C-N 3.26Å; I1666-L1668 PolarHBondContact O-N 3.22Å; L1668-Y1670 PolarHBondContact O-N 3.42Å
1669D37.3Very low39Very low113.6 Ų113.699.2 Ų99.261%0.60752%0.519SS*.SBendtrans-97.110.8-163.5-73.9-28.2000115.9Y1612 P1665 I1666Y1612-D1669 CarbonylContact O-C 3.58Å; Y1612-D1669 VanDerWaalsContact O-C 3.27Å; P1665-D1669 PolarHBondContact O-N 2.93Å; I1666-D1669 WeakPolarHBondContact CA-OD2 2.94Å
1670Y37.3Very low38.6Very low139.4 Ų139.4101.2 Ų101.255%0.54753%0.531SS..  trans-119.4115.1-178.1-75.3-88.1000113F952 R954 A1614 I1666 L1668 E1672 F1673F952-Y1670 HydrophobicContact CZ-CE2 4.1Å; F952-Y1670 AromaticContact CZ-CZ 3.81Å; F952-Y1670 WeakPolarHBondContact CZ-OH 3.39Å; R954-Y1670 PolarHBondContact NH1-OH 3.2Å; A1614-Y1670 VanDerWaalsContact CB-O 3.29Å; A1614-Y1670 WeakPolarHBondContact CB-O 3.28Å; I1666-Y1670 HydrophobicContact CG2-CE2 4.26Å; I1666-Y1670 WeakPolarHBondContact O-CD2 3.42Å; L1668-Y1670 PolarHBondContact O-N 3.42Å; Y1670-E1672 VanDerWaalsContact C-N 3.26Å; Y1670-E1672 PolarHBondContact O-N 2.91Å; Y1670-E1672 VanDerWaalsContact O-N 3.12Å; Y1670-F1673 HydrophobicContact CD2-CE2 4.21Å; Y1670-F1673 HydrophobicContact CG-CE2 4.32Å; Y1670-F1673 WeakPolarHBondContact O-CB 3.36Å; Y1670-F1673 VanDerWaalsContact O-CD2 3.23Å; Y1670-F1673 WeakPolarHBondContact O-CD2 3.46Å; Y1670-F1673 PolarHBondContact O-N 2.99Å
1671P37Very low38.6Very low118.4 Ų118.4103.7 Ų103.777%0.76954%0.544SS*.THydrogen-bonded Turntrans-829.5-175.224.2-23.9000114.8Y1612 F1673Y1612-P1671 HydrophobicContact CD1-CG 3.62Å; Y1612-P1671 HydrophobicContact CE1-CG 4.21Å; Y1612-P1671 HydrophobicContact CG-CG 3.83Å; P1671-F1673 VanDerWaalsContact C-N 3.35Å; P1671-F1673 PolarHBondContact O-N 3.41Å
1672E38Very low38.7Very low142 Ų142106.5 Ų106.566%0.66456%0.555SS**THydrogen-bonded Turntrans-107.817.4-173.4-60.7-171.1158.100113.7P955 Y1670 D1674 S1675P955-E1672 WeakPolarHBondContact CB-OE1 3.38Å; P955-E1672 WeakPolarHBondContact CB-OE2 3.39Å; P955-E1672 HydrophobicContact CG-CB 4.3Å; P955-E1672 HydrophobicContact CG-CG 4.21Å; P955-E1672 WeakPolarHBondContact CG-OE1 3.48Å; P955-E1672 WeakPolarHBondContact CG-OE2 3.32Å; Y1670-E1672 VanDerWaalsContact C-N 3.26Å; Y1670-E1672 PolarHBondContact O-N 2.91Å; Y1670-E1672 VanDerWaalsContact O-N 3.12Å; E1672-D1674 VanDerWaalsContact C-N 3.31Å; E1672-D1674 PolarHBondContact O-N 2.9Å; E1672-D1674 VanDerWaalsContact O-N 3.11Å; E1672-S1675 WeakPolarHBondContact O-CB 3.47Å; E1672-S1675 PolarHBondContact O-N 2.88Å; E1672-S1675 PolarHBondContact O-OG 3.14Å
1673F36.8Very low38.8Very low117 Ų117101.8 Ų101.851%0.51354%0.541SS..  trans-81.91.6-169-104.1-81.5000115.4L1667 Y1670 P1671 S1675 C1676 F1677L1667-F1673 VanDerWaalsContact C-CE2 3.43Å; L1667-F1673 VanDerWaalsContact CA-CZ 3.44Å; L1667-F1673 HydrophobicContact CB-CE1 4.13Å; L1667-F1673 HydrophobicContact CB-CE2 4.27Å; L1667-F1673 HydrophobicContact CB-CZ 3.82Å; L1667-F1673 HydrophobicContact CD2-CE1 4.11Å; L1667-F1673 HydrophobicContact CD2-CZ 3.8Å; L1667-F1673 HydrophobicContact CG-CZ 4.2Å; L1667-F1673 VanDerWaalsContact O-CE2 3.28Å; L1667-F1673 WeakPolarHBondContact O-CE2 3.36Å; L1667-F1673 WeakPolarHBondContact O-CZ 3.49Å; Y1670-F1673 HydrophobicContact CD2-CE2 4.21Å; Y1670-F1673 HydrophobicContact CG-CE2 4.32Å; Y1670-F1673 WeakPolarHBondContact O-CB 3.36Å; Y1670-F1673 VanDerWaalsContact O-CD2 3.23Å; Y1670-F1673 WeakPolarHBondContact O-CD2 3.46Å; Y1670-F1673 PolarHBondContact O-N 2.99Å; P1671-F1673 VanDerWaalsContact C-N 3.35Å; P1671-F1673 PolarHBondContact O-N 3.41Å; F1673-S1675 PolarHBondContact O-N 3.15Å; F1673-S1675 VanDerWaalsContact O-N 3.13Å; F1673-C1676 HydrophobicContact CD1-CB 4.48Å; F1673-C1676 PolarHBondContact O-N 2.98Å; F1673-F1677 HydrophobicContact CD1-CD2 4.31Å; F1673-F1677 HydrophobicContact CD1-CE2 4.32Å; F1673-F1677 AromaticContact CE1-CD2 3.71Å; F1673-F1677 HydrophobicContact CE1-CD2 4.01Å; F1673-F1677 AromaticContact CE1-CE2 3.58Å; F1673-F1677 HydrophobicContact CE1-CE2 3.58Å; F1673-F1677 VanDerWaalsContact CE1-CE2 3.41Å; F1673-F1677 HydrophobicContact CE1-CZ 4.47Å; F1673-F1677 AromaticContact CZ-CE2 3.94Å; F1673-F1677 HydrophobicContact CZ-CE2 3.94Å
1674D33.3Very low39.2Very low133.8 Ų133.898.4 Ų98.472%0.71653%0.528SS*.THydrogen-bonded Turntrans-65-4.7175.8-87.6-28.4000113.1N1622 C1628 E1672N1622-D1674 PolarHBondContact ND2-O 3.07Å; C1628-D1674 PolarHBondContact SG-OD2 3.32Å; E1672-D1674 VanDerWaalsContact C-N 3.31Å; E1672-D1674 PolarHBondContact O-N 2.9Å; E1672-D1674 VanDerWaalsContact O-N 3.11Å
1675S34.2Very low39.5Very low84.2 Ų84.299.8 Ų99.859%0.58954%0.542SS*.THydrogen-bonded Turntrans-91.32.3-17470.40000115.8R937 E1672 F1673 F1677R937-S1675 WeakPolarHBondContact CD-O 3.35Å; R937-S1675 PolarHBondContact NE-O 2.98Å; R937-S1675 PolarHBondContact NH1-O 3.41Å; E1672-S1675 WeakPolarHBondContact O-CB 3.47Å; E1672-S1675 PolarHBondContact O-N 2.88Å; E1672-S1675 PolarHBondContact O-OG 3.14Å; F1673-S1675 PolarHBondContact O-N 3.15Å; F1673-S1675 VanDerWaalsContact O-N 3.13Å; S1675-F1677 PolarHBondContact O-N 3.47Å
1676C32.4Very low40.1Very low96.4 Ų96.4101.9 Ų101.965%0.65154%0.544SS*.  trans-120.918.5-178.9-93.40000115.7F1673 T1678F1673-C1676 HydrophobicContact CD1-CB 4.48Å; F1673-C1676 PolarHBondContact O-N 2.98Å; C1676-T1678 VanDerWaalsContact C-N 3.33Å; C1676-T1678 PolarHBondContact O-N 3.28Å
1677F33.7Very low41.2Very low125.2 Ų125.2102.7 Ų102.755%0.54954%0.54SS..  trans-104.471.2176.4-84.1-88.9000113.1R937 L1551 L1616 P1617 I1618 N1622 L1667 F1673 S1675 P1679R937-F1677 PolarHBondContact NH2-O 3.43Å; L1551-F1677 HydrophobicContact CD1-CZ 4.37Å; L1616-F1677 HydrophobicContact CD1-CE1 4.04Å; P1617-F1677 HydrophobicContact CG-CD2 4.39Å; I1618-F1677 HydrophobicContact CG2-CD1 4.39Å; N1622-F1677 HydrophobicContact CB-CB 4.33Å; N1622-F1677 WeakPolarHBondContact OD1-CD2 3.32Å; N1622-F1677 WeakPolarHBondContact OD1-CG 3.42Å; L1667-F1677 HydrophobicContact CD2-CE2 4.45Å; L1667-F1677 HydrophobicContact CD2-CZ 4.43Å; F1673-F1677 HydrophobicContact CD1-CD2 4.31Å; F1673-F1677 HydrophobicContact CD1-CE2 4.32Å; F1673-F1677 AromaticContact CE1-CD2 3.71Å; F1673-F1677 HydrophobicContact CE1-CD2 4.01Å; F1673-F1677 AromaticContact CE1-CE2 3.58Å; F1673-F1677 HydrophobicContact CE1-CE2 3.58Å; F1673-F1677 VanDerWaalsContact CE1-CE2 3.41Å; F1673-F1677 HydrophobicContact CE1-CZ 4.47Å; F1673-F1677 AromaticContact CZ-CE2 3.94Å; F1673-F1677 HydrophobicContact CZ-CE2 3.94Å; S1675-F1677 PolarHBondContact O-N 3.47Å; F1677-P1679 VanDerWaalsContact C-CD 3.44Å; F1677-P1679 VanDerWaalsContact O-CD 3.26Å; F1677-P1679 WeakPolarHBondContact O-CD 3.36Å
1678T36.1Very low42.5Very low83.6 Ų83.6102.4 Ų102.451%0.51354%0.539SS..  trans-128.899.3163430000111.2I1621 F1625 C1676 S1680I1621-T1678 HydrophobicContact CD1-CG2 4.33Å; I1621-T1678 HydrophobicContact CG1-CG2 4.23Å; F1625-T1678 HydrophobicContact CD2-CG2 3.81Å; F1625-T1678 HydrophobicContact CE2-CG2 3.93Å; C1676-T1678 VanDerWaalsContact C-N 3.33Å; C1676-T1678 PolarHBondContact O-N 3.28Å; T1678-S1680 PolarHBondContact O-N 3.26Å
1679P37.1Very low44Very low48.2 Ų48.2100 Ų10031%0.31353%0.529SS..  trans-73.299.3171.425-23.4000110.1I1618 I1621 L1657 F1677 L1681 Q1683I1618-P1679 HydrophobicContact CD1-CG 4.03Å; I1621-P1679 HydrophobicContact CG2-CB 3.81Å; I1621-P1679 HydrophobicContact CG2-CG 3.88Å; L1657-P1679 HydrophobicContact CD1-CG 3.67Å; F1677-P1679 VanDerWaalsContact C-CD 3.44Å; F1677-P1679 VanDerWaalsContact O-CD 3.26Å; F1677-P1679 WeakPolarHBondContact O-CD 3.36Å; P1679-L1681 PolarHBondContact O-N 3.09Å; P1679-Q1683 HydrophobicContact CB-CB 4.11Å; P1679-Q1683 VanDerWaalsContact CB-OE1 3.26Å
1680S38.2Very low45.8Very low70.4 Ų70.497.1 Ų97.149%0.49251%0.513SS..  trans-74.9139174.961.60000111T1678 H1682 Q1683 I1684T1678-S1680 PolarHBondContact O-N 3.26Å; S1680-H1682 PolarHBondContact O-N 3.16Å; S1680-H1682 PolarHBondContact O-ND1 3.23Å; S1680-H1682 WeakPolarHBondContact OG-CB 3.33Å; S1680-Q1683 WeakPolarHBondContact O-CA 3.4Å; S1680-Q1683 WeakPolarHBondContact O-CB 3.27Å; S1680-Q1683 PolarHBondContact O-N 3.23Å; S1680-I1684 PolarHBondContact O-N 3.09Å
1681L43.6Very low47.6Very low111.6 Ų111.697.3 Ų97.358%0.58451%0.514SS*.THydrogen-bonded Turntrans-39.2-19.6178.7-153.595.6000114.6F1620 P1679 Q1683 I1684 A1685 M2268 L2272F1620-L1681 HydrophobicContact CD2-CB 3.9Å; F1620-L1681 HydrophobicContact CE2-CB 3.64Å; F1620-L1681 HydrophobicContact CE2-CD1 3.69Å; F1620-L1681 HydrophobicContact CE2-CD2 4Å; F1620-L1681 HydrophobicContact CE2-CG 3.95Å; F1620-L1681 HydrophobicContact CZ-CB 4.24Å; F1620-L1681 HydrophobicContact CZ-CD1 3.88Å; P1679-L1681 PolarHBondContact O-N 3.09Å; L1681-Q1683 VanDerWaalsContact C-N 3.27Å; L1681-Q1683 PolarHBondContact O-N 3.19Å; L1681-Q1683 VanDerWaalsContact O-N 3.14Å; L1681-I1684 HydrophobicContact CD1-CD1 4.18Å; L1681-I1684 HydrophobicContact CG-CD1 4.38Å; L1681-I1684 WeakPolarHBondContact O-CB 3.27Å; L1681-I1684 PolarHBondContact O-N 2.87Å; L1681-I1684 VanDerWaalsContact O-N 3.17Å; L1681-A1685 WeakPolarHBondContact O-CB 3.36Å; L1681-A1685 PolarHBondContact O-N 2.95Å; L1681-M2268 HydrophobicContact CD2-CB 4.13Å; L1681-M2268 HydrophobicContact CD2-CE 4.33Å; L1681-M2268 HydrophobicContact CD2-CG 4.49Å; L1681-M2268 HydrophobicContact CD2-SD 3.74Å; L1681-L2272 HydrophobicContact CD1-CD1 4.07Å; L1681-L2272 HydrophobicContact CD2-CD1 4.03Å; L1681-L2272 HydrophobicContact CG-CD1 4.48Å
1682H48.6Very low49.3Very low135 Ų13592.9 Ų92.963%0.62548%0.484SS*.Hα-helixtrans-61.6-19.4174.7-105.988.2000114.8S1680 I1684 A1685 K1686S1680-H1682 PolarHBondContact O-N 3.16Å; S1680-H1682 PolarHBondContact O-ND1 3.23Å; S1680-H1682 WeakPolarHBondContact OG-CB 3.33Å; H1682-I1684 VanDerWaalsContact C-N 3.28Å; H1682-I1684 PolarHBondContact O-N 2.66Å; H1682-A1685 CarbonylContact O-C 3.58Å; H1682-A1685 WeakPolarHBondContact O-CA 3.5Å; H1682-A1685 WeakPolarHBondContact O-CB 3.41Å; H1682-A1685 PolarHBondContact O-N 3.29Å; H1682-K1686 PolarHBondContact O-N 3.49Å
1683Q44.8Very low50.8Low91.6 Ų91.690.3 Ų90.343%0.42848%0.475SS..THydrogen-bonded Turntrans-71.5-36.4175-65.5-168.67.700112P1679 S1680 L1681 A1685 K1686P1679-Q1683 HydrophobicContact CB-CB 4.11Å; P1679-Q1683 VanDerWaalsContact CB-OE1 3.26Å; S1680-Q1683 WeakPolarHBondContact O-CA 3.4Å; S1680-Q1683 WeakPolarHBondContact O-CB 3.27Å; S1680-Q1683 PolarHBondContact O-N 3.23Å; L1681-Q1683 VanDerWaalsContact C-N 3.27Å; L1681-Q1683 PolarHBondContact O-N 3.19Å; L1681-Q1683 VanDerWaalsContact O-N 3.14Å; Q1683-A1685 PolarHBondContact O-N 3.21Å; Q1683-K1686 VanDerWaalsContact O-CB 3.27Å; Q1683-K1686 WeakPolarHBondContact O-CB 3.45Å; Q1683-K1686 PolarHBondContact O-N 3.12Å
1684I48.9Very low52.5Low58 Ų5890.1 Ų90.130%0.29747%0.474SS..THydrogen-bonded Turntrans-66.6-25.6174.4-62.4169.8000111.3F1620 M1652 S1680 L1681 H1682 K1686 P1738 L1739F1620-I1684 HydrophobicContact CE1-CD1 3.73Å; F1620-I1684 HydrophobicContact CZ-CD1 4.11Å; M1652-I1684 HydrophobicContact SD-CD1 3.8Å; S1680-I1684 PolarHBondContact O-N 3.09Å; L1681-I1684 HydrophobicContact CD1-CD1 4.18Å; L1681-I1684 HydrophobicContact CG-CD1 4.38Å; L1681-I1684 WeakPolarHBondContact O-CB 3.27Å; L1681-I1684 PolarHBondContact O-N 2.87Å; L1681-I1684 VanDerWaalsContact O-N 3.17Å; H1682-I1684 VanDerWaalsContact C-N 3.28Å; H1682-I1684 PolarHBondContact O-N 2.66Å; I1684-K1686 VanDerWaalsContact C-N 3.33Å; I1684-P1738 WeakPolarHBondContact O-CD 3.4Å; I1684-P1738 WeakPolarHBondContact O-CG 3.27Å; I1684-L1739 HydrophobicContact CG2-CD1 3.85Å; I1684-L1739 HydrophobicContact CG2-CD2 4.16Å; I1684-L1739 HydrophobicContact CG2-CG 3.94Å
1685A49.2Very low54Low70.6 Ų70.689.8 Ų89.858%0.58347%0.471SS*.THydrogen-bonded Turntrans-79.5-15.7175.900000114.3L1681 H1682 Q1683L1681-A1685 WeakPolarHBondContact O-CB 3.36Å; L1681-A1685 PolarHBondContact O-N 2.95Å; H1682-A1685 CarbonylContact O-C 3.58Å; H1682-A1685 WeakPolarHBondContact O-CA 3.5Å; H1682-A1685 WeakPolarHBondContact O-CB 3.41Å; H1682-A1685 PolarHBondContact O-N 3.29Å; Q1683-A1685 PolarHBondContact O-N 3.21Å
1686K53Low54.9Low119.8 Ų119.890.3 Ų90.352%0.52148%0.475SS..SBendtrans-78.7133.6175.3-70.5-176.7177.6-176.50110L1667 H1682 Q1683 I1684 P1738L1667-K1686 HydrophobicContact CD2-CB 3.7Å; L1667-K1686 HydrophobicContact CD2-CD 3.69Å; L1667-K1686 HydrophobicContact CD2-CG 4.29Å; L1667-K1686 PolarHBondContact O-NZ 2.74Å; H1682-K1686 PolarHBondContact O-N 3.49Å; Q1683-K1686 VanDerWaalsContact O-CB 3.27Å; Q1683-K1686 WeakPolarHBondContact O-CB 3.45Å; Q1683-K1686 PolarHBondContact O-N 3.12Å; I1684-K1686 VanDerWaalsContact C-N 3.33Å; K1686-P1738 VanDerWaalsContact O-CD 3.29Å; K1686-P1738 WeakPolarHBondContact O-CD 3.32Å; K1686-P1738 VanDerWaalsContact O-CG 3.29Å; K1686-P1738 WeakPolarHBondContact O-CG 3.36Å
1687R65.5Low55.5Low124.6 Ų124.692.3 Ų92.347%0.4748%0.479SS..PPolyproline II helixtrans-77.3134174.7-61.2-174.4-174.8167.6-3110.6N950 P1689 F1735 V1736 D2248N950-R1687 PolarHBondContact ND2-O 2.91Å; R1687-P1689 WeakPolarHBondContact O-CD 3.37Å; R1687-F1735 HydrophobicContact CB-CB 3.92Å; R1687-F1735 HydrophobicContact CB-CD1 4.26Å; R1687-F1735 WeakPolarHBondContact CD-O 3.13Å; R1687-F1735 HydrophobicContact CG-CB 4.48Å; R1687-V1736 CarbonylContact C-O 3.56Å; R1687-V1736 VanDerWaalsContact CA-O 3.25Å; R1687-V1736 WeakPolarHBondContact CA-O 3.34Å; R1687-V1736 WeakPolarHBondContact CB-O 3.37Å; R1687-D2248 IonicContact CZ-OD1 2.72Å; R1687-D2248 IonicContact NH1-OD2 2.73Å; R1687-D2248 IonicContact NH2-OD1 3.37Å; R1687-D2248 PolarHBondContact NH2-OD1 3.42Å; R1687-D2248 IonicContact NH2-OD2 3.24Å
1688L66.9Low55.7Low63.4 Ų63.492.9 Ų92.933%0.33249%0.487SS..EExtended strand (participates in β ladder)trans-75.2124.7173.3-78156.9000110.1I1618 L1690 F1735 V1736 P1738I1618-L1688 HydrophobicContact CD1-CD2 4.1Å; L1688-L1690 HydrophobicContact CD2-CD2 3.71Å; L1688-L1690 HydrophobicContact CD2-CG 4.48Å; L1688-L1690 HydrophobicContact CG-CD2 3.77Å; L1688-L1690 HydrophobicContact CG-CG 4.24Å; L1688-L1690 PolarHBondContact O-N 3.06Å; L1688-F1735 CarbonylContact O-C 3.2Å; L1688-F1735 WeakPolarHBondContact O-CA 3.29Å; L1688-V1736 PolarHBondContact N-O 3.19Å; L1688-V1736 PolarHBondContact O-N 3.12Å; L1688-P1738 HydrophobicContact CD1-CB 4.42Å; L1688-P1738 HydrophobicContact CD1-CG 4.34Å; L1688-P1738 HydrophobicContact CG-CG 4.18Å
1689P72.4Confident55.5Low53.6 Ų53.694 Ų9435%0.34850%0.496SS..EExtended strand (participates in β ladder)trans-76.8117.2170.128.6-30.7000110.9I1666 R1687 L1733 F1735I1666-P1689 HydrophobicContact CD1-CG 3.96Å; R1687-P1689 WeakPolarHBondContact O-CD 3.37Å; P1689-L1733 HydrophobicContact CB-CD1 3.78Å; P1689-L1733 HydrophobicContact CB-CD2 4.28Å; P1689-L1733 HydrophobicContact CB-CG 4.23Å; P1689-F1735 HydrophobicContact CB-CD1 4.27Å; P1689-F1735 HydrophobicContact CB-CE1 3.96Å; P1689-F1735 HydrophobicContact CB-CZ 4.42Å
1690L73.7Confident55.1Low53 Ų5396.7 Ų96.728%0.27752%0.516SS..EExtended strand (participates in β ladder)trans-106.6133.9170-57-174.4000110.2L1688 L1733 L1734 V1736 L1745L1688-L1690 HydrophobicContact CD2-CD2 3.71Å; L1688-L1690 HydrophobicContact CD2-CG 4.48Å; L1688-L1690 HydrophobicContact CG-CD2 3.77Å; L1688-L1690 HydrophobicContact CG-CG 4.24Å; L1688-L1690 PolarHBondContact O-N 3.06Å; L1690-L1733 CarbonylContact O-C 3.55Å; L1690-L1733 WeakPolarHBondContact O-CA 3.41Å; L1690-L1733 WeakPolarHBondContact O-CD1 3.33Å; L1690-L1734 HydrophobicContact CB-CD2 4.47Å; L1690-L1734 HydrophobicContact CD1-CD2 4.4Å; L1690-L1734 PolarHBondContact N-O 3.08Å; L1690-L1734 PolarHBondContact O-N 3.08Å; L1690-V1736 HydrophobicContact CD1-CB 4.32Å; L1690-V1736 HydrophobicContact CD1-CG2 3.6Å; L1690-V1736 HydrophobicContact CG-CB 4.48Å; L1690-V1736 HydrophobicContact CG-CG2 4.01Å; L1690-L1745 HydrophobicContact CD1-CD1 4.48Å; L1690-L1745 HydrophobicContact CD1-CD2 3.98Å
1691Y75.2Confident54.7Low142 Ų14299.6 Ų99.656%0.55753%0.53SS*.EExtended strand (participates in β ladder)trans-90126.6169.1-73.8-89.9000109.8I1666 D1693 L1733I1666-Y1691 HydrophobicContact CD1-CE2 4.31Å; Y1691-D1693 PolarHBondContact O-N 3.03Å; Y1691-L1733 HydrophobicContact CD1-CD1 4.01Å; Y1691-L1733 HydrophobicContact CD2-CD1 3.86Å; Y1691-L1733 HydrophobicContact CE1-CD1 3.81Å; Y1691-L1733 HydrophobicContact CE2-CD1 3.64Å; Y1691-L1733 HydrophobicContact CG-CD1 4.04Å
1692L74.6Confident54.2Low27.2 Ų27.2100.2 Ų100.214%0.14254%0.538CS..  trans-83.9115.7173.7-61.8178.3000109.8W1729 R1730 G1731 K1732 L1734 L1749 M1752L1692-W1729 HydrophobicContact CB-CB 4.48Å; L1692-W1729 HydrophobicContact CD1-CB 3.95Å; L1692-R1730 CarbonylContact O-C 3.52Å; L1692-R1730 VanDerWaalsContact O-CA 3.28Å; L1692-R1730 WeakPolarHBondContact O-CA 3.38Å; L1692-G1731 PolarHBondContact O-N 3.01Å; L1692-K1732 PolarHBondContact N-O 2.93Å; L1692-K1732 VanDerWaalsContact N-O 3.11Å; L1692-L1734 HydrophobicContact CD1-CB 4.41Å; L1692-L1734 HydrophobicContact CD1-CD1 4.08Å; L1692-L1734 HydrophobicContact CD2-CB 4.16Å; L1692-L1734 HydrophobicContact CD2-CD1 4.26Å; L1692-L1734 HydrophobicContact CD2-CD2 4.23Å; L1692-L1734 HydrophobicContact CG-CB 4.33Å; L1692-L1734 HydrophobicContact CG-CD1 4.31Å; L1692-L1749 HydrophobicContact CD1-CD2 3.79Å; L1692-L1749 HydrophobicContact CD2-CD1 4.36Å; L1692-L1749 HydrophobicContact CD2-CD2 3.89Å; L1692-L1749 HydrophobicContact CG-CD2 4.4Å; L1692-M1752 HydrophobicContact CD1-CE 4.4Å; L1692-M1752 HydrophobicContact CD1-SD 4.49Å
1693D69.5Low53.2Low87.4 Ų87.4101.3 Ų101.347%0.46754%0.544SS..  trans-110137.7169.3-143.7-20.9000110.6Y1691 L1695 R1730Y1691-D1693 PolarHBondContact O-N 3.03Å; D1693-L1695 PolarHBondContact O-N 3.4Å; D1693-R1730 WeakPolarHBondContact OD1-CD 3.26Å; D1693-R1730 WeakPolarHBondContact OD1-CG 3.42Å; D1693-R1730 IonicContact OD1-CZ 3.05Å; D1693-R1730 VanDerWaalsContact OD1-CZ 3.31Å; D1693-R1730 IonicContact OD1-NE 3.19Å; D1693-R1730 PolarHBondContact OD1-NE 3.07Å; D1693-R1730 IonicContact OD1-NH2 3.19Å; D1693-R1730 PolarHBondContact OD1-NH2 3.22Å; D1693-R1730 VanDerWaalsContact OD1-NH2 3.07Å; D1693-R1730 IonicContact OD2-NH2 3.36Å; D1693-R1730 PolarHBondContact OD2-NH2 3.01Å; D1693-R1730 VanDerWaalsContact OD2-NH2 3.17Å
1694K70.7Confident52.5Low112.8 Ų112.8104.7 Ų104.749%0.4956%0.564SS.*  trans-89.9113.6176.6-178-177.1174.9-176.10108S1696 L1726 N1728 R1730K1694-S1696 PolarHBondContact O-N 3.24Å; K1694-L1726 PolarHBondContact NZ-O 2.81Å; K1694-N1728 WeakPolarHBondContact CB-OD1 3.38Å; K1694-N1728 HydrophobicContact CD-CB 4.35Å; K1694-N1728 WeakPolarHBondContact CD-OD1 3.47Å; K1694-R1730 HydrophobicContact CB-CB 4.28Å; K1694-R1730 HydrophobicContact CB-CG 4.4Å
1695L65Low51.6Low126.2 Ų126.2110.4 Ų110.466%0.66159%0.587SS**  trans-60.3118170.4-83.2117.3000109.3D1693 N1697D1693-L1695 PolarHBondContact O-N 3.4Å; L1695-N1697 PolarHBondContact O-N 2.88Å
1696S53.7Low50.8Low95.8 Ų95.8112.4 Ų112.467%0.6760%0.596SS**  trans-76.7113.617248.60000109.6K1694 L1698K1694-S1696 PolarHBondContact O-N 3.24Å; S1696-L1698 PolarHBondContact O-N 2.84Å
1697N45.1Very low49.7Very low139 Ų139113.7 Ų113.774%0.74361%0.609SS**  trans-1.7111.4171.3-63.1-3.8000111.8L1695L1695-N1697 PolarHBondContact O-N 2.88Å
1698L37.4Very low48.2Very low136.6 Ų136.6114.9 Ų114.972%0.71563%0.625SS**PPolyproline II helixtrans-58.4137.2158.1-16971.7000107.4S1696 S1700S1696-L1698 PolarHBondContact O-N 2.84Å; L1698-S1700 PolarHBondContact O-N 3.14Å; L1698-S1700 VanDerWaalsContact O-N 3.14Å
1699P31.5Very low46.6Very low107.2 Ų107.2118.8 Ų118.870%0.69665%0.646SS**PPolyproline II helixtrans-55.1129174.2-5.68.3000109V1701P1699-V1701 PolarHBondContact O-N 3.14Å
1700S29.1Very low44.8Very low104.6 Ų104.6123.8 Ų123.873%0.73167%0.67SS**PPolyproline II helixtrans-52.9126.8170.5480000108.3L1698 V1702L1698-S1700 PolarHBondContact O-N 3.14Å; L1698-S1700 VanDerWaalsContact O-N 3.14Å; S1700-V1702 PolarHBondContact O-N 2.91Å; S1700-V1702 VanDerWaalsContact O-N 3.17Å
1701V31.2Very low42.9Very low131 Ų131127.6 Ų127.679%0.79469%0.69SS**  trans-48.8129.1170.7176.50000107.2P1699 E1703P1699-V1701 PolarHBondContact O-N 3.14Å; V1701-E1703 VanDerWaalsContact C-N 3.35Å; V1701-E1703 PolarHBondContact O-N 2.92Å
1702V31.9Very low41Very low123.8 Ų123.8127.8 Ų127.875%0.7570%0.701SS**  trans-52.497.4-175.6179.90000108.7S1700 L1704S1700-V1702 PolarHBondContact O-N 2.91Å; S1700-V1702 VanDerWaalsContact O-N 3.17Å; V1702-L1704 VanDerWaalsContact C-N 3.34Å; V1702-L1704 PolarHBondContact O-N 3.07Å
1703E28.4Very low39Very low158.4 Ų158.4132.4 Ų132.474%0.7473%0.73SS**  trans-71.395.9163.5-81.6-178.816000108.3V1701 K1705V1701-E1703 VanDerWaalsContact C-N 3.35Å; V1701-E1703 PolarHBondContact O-N 2.92Å; E1703-K1705 VanDerWaalsContact C-N 3.25Å; E1703-K1705 HydrophobicContact CB-CG 3.99Å; E1703-K1705 PolarHBondContact O-N 3.25Å; E1703-K1705 WeakPolarHBondContact OE2-CE 3.42Å; E1703-K1705 IonicContact OE2-NZ 2.92Å; E1703-K1705 PolarHBondContact OE2-NZ 3.15Å; E1703-K1705 VanDerWaalsContact OE2-NZ 3.15Å
1704L29.6Very low37.2Very low164.2 Ų164.2134.3 Ų134.386%0.8675%0.746SS**  trans-77.189.8170.5-75.1170.7000108.1V1702 S1706V1702-L1704 VanDerWaalsContact C-N 3.34Å; V1702-L1704 PolarHBondContact O-N 3.07Å; L1704-S1706 VanDerWaalsContact C-N 3.29Å; L1704-S1706 PolarHBondContact O-N 3.06Å; L1704-S1706 PolarHBondContact O-OG 2.91Å
1705K30.2Very low35.3Very low178 Ų178136.1 Ų136.177%0.77476%0.756SS**  trans-74.288.2170.5-71.1-171.4178.2-173.50109.9E1703 N1707E1703-K1705 VanDerWaalsContact C-N 3.25Å; E1703-K1705 HydrophobicContact CB-CG 3.99Å; E1703-K1705 PolarHBondContact O-N 3.25Å; E1703-K1705 WeakPolarHBondContact OE2-CE 3.42Å; E1703-K1705 IonicContact OE2-NZ 2.92Å; E1703-K1705 PolarHBondContact OE2-NZ 3.15Å; E1703-K1705 VanDerWaalsContact OE2-NZ 3.15Å; K1705-N1707 VanDerWaalsContact C-N 3.31Å; K1705-N1707 PolarHBondContact O-N 3.02Å
1706S33Very low33.8Very low112.4 Ų112.4137.8 Ų137.879%0.78677%0.765SS**  trans-83.1100.4159.348.10000108L1704 N1708L1704-S1706 VanDerWaalsContact C-N 3.29Å; L1704-S1706 PolarHBondContact O-N 3.06Å; L1704-S1706 PolarHBondContact O-OG 2.91Å; S1706-N1708 PolarHBondContact O-N 3.04Å
1707N29.1Very low32.9Very low145.6 Ų145.6142 Ų14278%0.77977%0.772SS**  trans-58.1114.5171.6-63.3-24000109.6K1705K1705-N1707 VanDerWaalsContact C-N 3.31Å; K1705-N1707 PolarHBondContact O-N 3.02Å
1708N34.4Very low32.1Very low151.6 Ų151.6142.4 Ų142.481%0.81177%0.773SS**  -158.5144.1126.9-91.5-27.7000110.1S1706 D1710S1706-N1708 PolarHBondContact O-N 3.04Å; N1708-D1710 PolarHBondContact O-N 3.01Å
1709N32.2Very low31.8Very low143.6 Ų143.6143.9 Ų143.977%0.76878%0.776SS**  trans-62134.3169.4-48-54.6000109.7
1710D36Very low31.8Very low160 Ų160147.3 Ų147.386%0.85678%0.782SS**  -148.6143.8122.2-109.7-41.5000110.8N1708N1708-D1710 PolarHBondContact O-N 3.01Å
1711N33.3Very low32Very low131.6 Ų131.6149 Ų14970%0.70478%0.783SS**  trans-93.3150.2-172-67.7-73.6000111.7
1712N34.7Very low32.1Very low146 Ų146152.1 Ų152.178%0.78179%0.786SS**  trans122.1130.9145.4-66.8-44.1000117
1713T32.9Very low32.4Very low124.6 Ų124.6151.3 Ų151.376%0.76479%0.786SS**  trans53104.9146.241.40000121.2
1714T32.7Very low33.5Very low127.8 Ų127.8151 Ų15178%0.78478%0.782SS**  trans93.4103.1138.645.20000118.2N1716T1714-N1716 VanDerWaalsContact C-N 3.33Å; T1714-N1716 PolarHBondContact O-N 2.91Å
1715E30.4Very low34.8Very low150.4 Ų150.4153.7 Ų153.770%0.70378%0.781SS**  trans-39.4103.4162.4-67.7-171.3163.500115.8K1717 S2336E1715-K1717 VanDerWaalsContact C-N 3.3Å; E1715-K1717 PolarHBondContact O-N 3.03Å; E1715-K1717 VanDerWaalsContact O-N 3.13Å; E1715-K1717 IonicContact OE1-NZ 2.83Å; E1715-K1717 PolarHBondContact OE1-NZ 3.38Å; E1715-K1717 IonicContact OE2-NZ 3.35Å; E1715-K1717 PolarHBondContact OE2-NZ 3.1Å; E1715-S2336 VanDerWaalsContact OE1-CB 3.31Å; E1715-S2336 WeakPolarHBondContact OE1-CB 3.2Å; E1715-S2336 PolarHBondContact OE1-OG 2.69Å
1716N33.3Very low36.5Very low161.4 Ų161.4149.4 Ų149.486%0.86377%0.766SS**  trans-146.296.7147.9-102.9-49.3000113T1714 L1718T1714-N1716 VanDerWaalsContact C-N 3.33Å; T1714-N1716 PolarHBondContact O-N 2.91Å; N1716-L1718 PolarHBondContact O-N 3.16Å; N1716-L1718 VanDerWaalsContact O-N 3.16Å
1717K33.5Very low38.3Very low185 Ų185149.6 Ų149.680%0.80475%0.75SS**  trans-104.980.7-179.1-87.5170177.5161.80112.2E1715E1715-K1717 VanDerWaalsContact C-N 3.3Å; E1715-K1717 PolarHBondContact O-N 3.03Å; E1715-K1717 VanDerWaalsContact O-N 3.13Å; E1715-K1717 IonicContact OE1-NZ 2.83Å; E1715-K1717 PolarHBondContact OE1-NZ 3.38Å; E1715-K1717 IonicContact OE2-NZ 3.35Å; E1715-K1717 PolarHBondContact OE2-NZ 3.1Å
1718L29.7Very low40.3Very low147.2 Ų147.2147.7 Ų147.777%0.77174%0.74SS**  trans-115.479.7175.9-102.7109.6000115.3N1716 H1720N1716-L1718 PolarHBondContact O-N 3.16Å; N1716-L1718 VanDerWaalsContact O-N 3.16Å; L1718-H1720 PolarHBondContact O-N 3.29Å
1719H31Very low42Very low167.4 Ų167.4142.8 Ų142.878%0.77571%0.71SS**  trans-93.678.4160.8-89.6-84.9000115N1721 K1722H1719-N1721 PolarHBondContact O-N 3.09Å; H1719-N1721 VanDerWaalsContact O-N 3.08Å; H1719-K1722 PolarHBondContact NE2-NZ 2.84Å
1720H30.5Very low43.7Very low177.8 Ų177.8143 Ų14382%0.82370%0.7SS**  trans-80.784.2169.8-93.5-56.6000112.2L1718 K1722L1718-H1720 PolarHBondContact O-N 3.29Å; H1720-K1722 VanDerWaalsContact C-N 3.35Å; H1720-K1722 PolarHBondContact O-N 2.87Å; H1720-K1722 VanDerWaalsContact O-N 3.15Å
1721N33Very low45.2Very low142.2 Ų142.2138 Ų13876%0.7669%0.686SS**  trans-86.3118.7166.9-94.4-31.7000113.4H1719 S1723H1719-N1721 PolarHBondContact O-N 3.09Å; H1719-N1721 VanDerWaalsContact O-N 3.08Å; N1721-S1723 VanDerWaalsContact C-N 3.31Å; N1721-S1723 PolarHBondContact O-N 3.29Å
1722K34.3Very low47.1Very low194.4 Ų194.4136.2 Ų136.285%0.84567%0.672SS**  trans-56.151.2174-74.6179.9177.4172.60113.3H1719 H1720 K1724H1719-K1722 PolarHBondContact NE2-NZ 2.84Å; H1720-K1722 VanDerWaalsContact C-N 3.35Å; H1720-K1722 PolarHBondContact O-N 2.87Å; H1720-K1722 VanDerWaalsContact O-N 3.15Å; K1722-K1724 PolarHBondContact O-N 3.3Å; K1722-K1724 VanDerWaalsContact O-N 3.16Å
1723S38.1Very low49Very low106.8 Ų106.8132.2 Ų132.275%0.74765%0.65SS**  trans-63.9106.3177.1-60.50000112.2N1721 R1725N1721-S1723 VanDerWaalsContact C-N 3.31Å; N1721-S1723 PolarHBondContact O-N 3.29Å; S1723-R1725 PolarHBondContact O-N 2.99Å; S1723-R1725 VanDerWaalsContact O-N 3.09Å
1724K51.3Low51.1Low152.6 Ų152.6126.8 Ų126.866%0.66362%0.617SS**  trans-48.4104.5174.8-69.1176.6178.9175.70110.8K1722 L1726K1722-K1724 PolarHBondContact O-N 3.3Å; K1722-K1724 VanDerWaalsContact O-N 3.16Å; K1724-L1726 VanDerWaalsContact C-N 3.31Å; K1724-L1726 PolarHBondContact O-N 3.16Å
1725R56.8Low53.3Low221.6 Ų221.6125.1 Ų125.184%0.83660%0.599SS**  trans-72.8103.3176.5-116.8-177.6176.8179.5-1.1110.3S1723 Y1727S1723-R1725 PolarHBondContact O-N 2.99Å; S1723-R1725 VanDerWaalsContact O-N 3.09Å; R1725-Y1727 PolarHBondContact O-N 2.83Å
1726L67.1Low55.3Low87.2 Ų87.2118.7 Ų118.746%0.45757%0.57SS.*  trans-75.8130.7172.5-64.7176.8000110.6K1694 K1724 N1728 S1753 T1754K1694-L1726 PolarHBondContact NZ-O 2.81Å; K1724-L1726 VanDerWaalsContact C-N 3.31Å; K1724-L1726 PolarHBondContact O-N 3.16Å; L1726-N1728 PolarHBondContact O-N 2.92Å; L1726-S1753 CarbonylContact C-O 3.56Å; L1726-S1753 VanDerWaalsContact CA-O 3.28Å; L1726-S1753 WeakPolarHBondContact CA-O 3.32Å; L1726-T1754 HydrophobicContact CD2-CG2 3.72Å
1727Y70.4Confident57.1Low116.8 Ų116.8113.4 Ų113.446%0.45855%0.545SS..  trans-65.1135.9171.6-66.6-70.3000110.5R1725 W1729 S1753 K1755 E1759R1725-Y1727 PolarHBondContact O-N 2.83Å; Y1727-W1729 VanDerWaalsContact O-CD1 3.27Å; Y1727-W1729 PolarHBondContact O-N 2.97Å; Y1727-S1753 WeakPolarHBondContact CD2-O 3.48Å; Y1727-S1753 PolarHBondContact N-O 3.23Å; Y1727-K1755 HydrophobicContact CE2-CB 4.38Å; Y1727-E1759 PolarHBondContact OH-OE2 3.18Å
1728N69.5Low58.6Low105.2 Ų105.2106.5 Ų106.556%0.56352%0.519SS*.  trans-85.6113.1178.9-171.812000110.6K1694 L1726 R1730K1694-N1728 WeakPolarHBondContact CB-OD1 3.38Å; K1694-N1728 HydrophobicContact CD-CB 4.35Å; K1694-N1728 WeakPolarHBondContact CD-OD1 3.47Å; L1726-N1728 PolarHBondContact O-N 2.92Å; N1728-R1730 VanDerWaalsContact OD1-CB 3.32Å; N1728-R1730 WeakPolarHBondContact OD1-CB 3.23Å; N1728-R1730 PolarHBondContact OD1-N 3.06Å; N1728-R1730 VanDerWaalsContact OD1-N 3.15Å
1729W71Confident60.6Low49.8 Ų49.8104.5 Ų104.519%0.18951%0.509CS..  trans-10413.3179.4-66.995.6000113.6K1132 L1692 Y1727 G1731 K1732 M1752 M2243K1132-W1729 HydrophobicContact CD-CH2 3.83Å; K1132-W1729 HydrophobicContact CD-CZ3 3.68Å; K1132-W1729 VanDerWaalsContact CE-CZ3 3.47Å; L1692-W1729 HydrophobicContact CB-CB 4.48Å; L1692-W1729 HydrophobicContact CD1-CB 3.95Å; Y1727-W1729 VanDerWaalsContact O-CD1 3.27Å; Y1727-W1729 PolarHBondContact O-N 2.97Å; W1729-G1731 PolarHBondContact O-N 3.35Å; W1729-K1732 HydrophobicContact CD2-CD 4.31Å; W1729-K1732 HydrophobicContact CE3-CB 4.37Å; W1729-K1732 HydrophobicContact CE3-CD 3.47Å; W1729-K1732 HydrophobicContact CE3-CG 4.34Å; W1729-K1732 VanDerWaalsContact CE3-NZ 3.29Å; W1729-K1732 HydrophobicContact CZ3-CD 3.76Å; W1729-K1732 VanDerWaalsContact CZ3-CD 3.5Å; W1729-K1732 WeakPolarHBondContact O-CB 3.33Å; W1729-K1732 WeakPolarHBondContact O-CG 3.39Å; W1729-K1732 PolarHBondContact O-N 3.1Å; W1729-K1732 VanDerWaalsContact O-N 3.12Å; W1729-M1752 HydrophobicContact CD2-CE 3.84Å; W1729-M1752 VanDerWaalsContact CD2-CE 3.47Å; W1729-M1752 HydrophobicContact CD2-CG 4.07Å; W1729-M1752 HydrophobicContact CD2-SD 3.83Å; W1729-M1752 HydrophobicContact CE3-CE 3.44Å; W1729-M1752 VanDerWaalsContact CE3-CE 3.47Å; W1729-M1752 HydrophobicContact CE3-CG 4.42Å; W1729-M1752 HydrophobicContact CE3-SD 3.89Å; W1729-M1752 HydrophobicContact CG-CE 4.21Å; W1729-M1752 HydrophobicContact CG-CG 4.4Å; W1729-M1752 HydrophobicContact CG-SD 4.31Å; W1729-M1752 HydrophobicContact CH2-CE 3.89Å; W1729-M1752 HydrophobicContact CH2-CG 4.21Å; W1729-M1752 HydrophobicContact CH2-SD 4.39Å; W1729-M1752 HydrophobicContact CZ2-CB 4.14Å; W1729-M1752 HydrophobicContact CZ2-CE 4.22Å; W1729-M1752 HydrophobicContact CZ2-CG 3.78Å; W1729-M1752 WeakPolarHBondContact CZ2-O 3.26Å; W1729-M1752 HydrophobicContact CZ2-SD 4.27Å; W1729-M1752 HydrophobicContact CZ3-CE 3.46Å; W1729-M1752 VanDerWaalsContact CZ3-CE 3.46Å; W1729-M1752 HydrophobicContact CZ3-CG 4.37Å; W1729-M1752 HydrophobicContact CZ3-SD 4.24Å; W1729-M1752 PolarHBondContact NE1-O 3.08Å; W1729-M2243 HydrophobicContact CH2-SD 4.04Å
1730R69.1Low62.3Low148 Ų14898.1 Ų98.156%0.55849%0.485SS*.THydrogen-bonded Turntrans-50.5132.1179.4-172.6175.7-157.2-154.1-0.9112.1L1692 D1693 K1694 N1728 K1732L1692-R1730 CarbonylContact O-C 3.52Å; L1692-R1730 VanDerWaalsContact O-CA 3.28Å; L1692-R1730 WeakPolarHBondContact O-CA 3.38Å; D1693-R1730 WeakPolarHBondContact OD1-CD 3.26Å; D1693-R1730 WeakPolarHBondContact OD1-CG 3.42Å; D1693-R1730 IonicContact OD1-CZ 3.05Å; D1693-R1730 VanDerWaalsContact OD1-CZ 3.31Å; D1693-R1730 IonicContact OD1-NE 3.19Å; D1693-R1730 PolarHBondContact OD1-NE 3.07Å; D1693-R1730 IonicContact OD1-NH2 3.19Å; D1693-R1730 PolarHBondContact OD1-NH2 3.22Å; D1693-R1730 VanDerWaalsContact OD1-NH2 3.07Å; D1693-R1730 IonicContact OD2-NH2 3.36Å; D1693-R1730 PolarHBondContact OD2-NH2 3.01Å; D1693-R1730 VanDerWaalsContact OD2-NH2 3.17Å; K1694-R1730 HydrophobicContact CB-CB 4.28Å; K1694-R1730 HydrophobicContact CB-CG 4.4Å; N1728-R1730 VanDerWaalsContact OD1-CB 3.32Å; N1728-R1730 WeakPolarHBondContact OD1-CB 3.23Å; N1728-R1730 PolarHBondContact OD1-N 3.06Å; N1728-R1730 VanDerWaalsContact OD1-N 3.15Å; R1730-K1732 VanDerWaalsContact C-N 3.27Å; R1730-K1732 PolarHBondContact O-N 2.9Å
1731G65.9Low64.5Low53.8 Ų53.892.6 Ų92.656%0.55546%0.464SS*.THydrogen-bonded Turntrans79-4.4177.200000115.1L1692 W1729L1692-G1731 PolarHBondContact O-N 3.01Å; W1729-G1731 PolarHBondContact O-N 3.35Å
1732K74.1Confident66.5Low93.2 Ų93.290.5 Ų90.541%0.40546%0.456SS..  trans-83140.5178.5-60.4-160.5-167.3175.90111.4L1692 W1729 R1730L1692-K1732 PolarHBondContact N-O 2.93Å; L1692-K1732 VanDerWaalsContact N-O 3.11Å; W1729-K1732 HydrophobicContact CD2-CD 4.31Å; W1729-K1732 HydrophobicContact CE3-CB 4.37Å; W1729-K1732 HydrophobicContact CE3-CD 3.47Å; W1729-K1732 HydrophobicContact CE3-CG 4.34Å; W1729-K1732 VanDerWaalsContact CE3-NZ 3.29Å; W1729-K1732 HydrophobicContact CZ3-CD 3.76Å; W1729-K1732 VanDerWaalsContact CZ3-CD 3.5Å; W1729-K1732 WeakPolarHBondContact O-CB 3.33Å; W1729-K1732 WeakPolarHBondContact O-CG 3.39Å; W1729-K1732 PolarHBondContact O-N 3.1Å; W1729-K1732 VanDerWaalsContact O-N 3.12Å; R1730-K1732 VanDerWaalsContact C-N 3.27Å; R1730-K1732 PolarHBondContact O-N 2.9Å
1733L74.7Confident68.4Low62.8 Ų62.882.3 Ų82.333%0.32943%0.426SS..EExtended strand (participates in β ladder)trans-84.5133.2179.4-161.462.4000110.6P1689 L1690 Y1691 F1735P1689-L1733 HydrophobicContact CB-CD1 3.78Å; P1689-L1733 HydrophobicContact CB-CD2 4.28Å; P1689-L1733 HydrophobicContact CB-CG 4.23Å; L1690-L1733 CarbonylContact O-C 3.55Å; L1690-L1733 WeakPolarHBondContact O-CA 3.41Å; L1690-L1733 WeakPolarHBondContact O-CD1 3.33Å; Y1691-L1733 HydrophobicContact CD1-CD1 4.01Å; Y1691-L1733 HydrophobicContact CD2-CD1 3.86Å; Y1691-L1733 HydrophobicContact CE1-CD1 3.81Å; Y1691-L1733 HydrophobicContact CE2-CD1 3.64Å; Y1691-L1733 HydrophobicContact CG-CD1 4.04Å; L1733-F1735 HydrophobicContact CB-CE2 4.46Å; L1733-F1735 HydrophobicContact CD2-CE1 4.24Å; L1733-F1735 HydrophobicContact CD2-CE2 3.78Å; L1733-F1735 HydrophobicContact CD2-CZ 3.48Å; L1733-F1735 VanDerWaalsContact CD2-CZ 3.44Å; L1733-F1735 HydrophobicContact CG-CE2 4.14Å; L1733-F1735 HydrophobicContact CG-CZ 4.16Å
1734L77.5Confident70Confident12.2 Ų12.281.1 Ų81.16%0.06441%0.409CS..EExtended strand (participates in β ladder)trans-124.8119.4179.6-176109.6000109.4L1690 L1692 V1736 L1745 F1748 L1749 M1752L1690-L1734 HydrophobicContact CB-CD2 4.47Å; L1690-L1734 HydrophobicContact CD1-CD2 4.4Å; L1690-L1734 PolarHBondContact N-O 3.08Å; L1690-L1734 PolarHBondContact O-N 3.08Å; L1692-L1734 HydrophobicContact CD1-CB 4.41Å; L1692-L1734 HydrophobicContact CD1-CD1 4.08Å; L1692-L1734 HydrophobicContact CD2-CB 4.16Å; L1692-L1734 HydrophobicContact CD2-CD1 4.26Å; L1692-L1734 HydrophobicContact CD2-CD2 4.23Å; L1692-L1734 HydrophobicContact CG-CB 4.33Å; L1692-L1734 HydrophobicContact CG-CD1 4.31Å; L1734-V1736 HydrophobicContact CD2-CG2 3.58Å; L1734-V1736 VanDerWaalsContact CD2-CG2 3.46Å; L1734-V1736 HydrophobicContact CG-CG2 3.89Å; L1734-L1745 HydrophobicContact CD1-CD1 4.31Å; L1734-L1745 HydrophobicContact CD2-CD1 3.71Å; L1734-F1748 HydrophobicContact CD1-CD1 4.15Å; L1734-F1748 HydrophobicContact CD1-CE1 3.64Å; L1734-F1748 VanDerWaalsContact CD1-CE1 3.43Å; L1734-F1748 HydrophobicContact CD1-CZ 3.8Å; L1734-F1748 HydrophobicContact CD2-CD1 4.19Å; L1734-F1748 HydrophobicContact CD2-CE1 4.14Å; L1734-F1748 HydrophobicContact CG-CE1 4.3Å; L1734-L1749 HydrophobicContact CD1-CD2 3.81Å; L1734-L1749 HydrophobicContact CD1-CG 4.45Å; L1734-L1749 HydrophobicContact CD2-CD2 3.97Å; L1734-L1749 HydrophobicContact CD2-CG 4.39Å; L1734-M1752 HydrophobicContact CD1-CE 4.07Å; L1734-M1752 HydrophobicContact CD1-SD 4.4Å
1735F77.8Confident71.3Confident91.6 Ų91.675.5 Ų75.540%0.40239%0.386SS..EExtended strand (participates in β ladder)trans-92.2111.4-178.6-71.6-80000111.6E949 R1687 L1688 P1689 L1733E949-F1735 HydrophobicContact CB-CE1 4.2Å; E949-F1735 HydrophobicContact CB-CE2 4.26Å; E949-F1735 HydrophobicContact CB-CZ 3.64Å; E949-F1735 HydrophobicContact CG-CE1 4.45Å; E949-F1735 HydrophobicContact CG-CE2 3.72Å; E949-F1735 HydrophobicContact CG-CZ 3.44Å; E949-F1735 VanDerWaalsContact CG-CZ 3.44Å; R1687-F1735 HydrophobicContact CB-CB 3.92Å; R1687-F1735 HydrophobicContact CB-CD1 4.26Å; R1687-F1735 WeakPolarHBondContact CD-O 3.13Å; R1687-F1735 HydrophobicContact CG-CB 4.48Å; L1688-F1735 CarbonylContact O-C 3.2Å; L1688-F1735 WeakPolarHBondContact O-CA 3.29Å; P1689-F1735 HydrophobicContact CB-CD1 4.27Å; P1689-F1735 HydrophobicContact CB-CE1 3.96Å; P1689-F1735 HydrophobicContact CB-CZ 4.42Å; L1733-F1735 HydrophobicContact CB-CE2 4.46Å; L1733-F1735 HydrophobicContact CD2-CE1 4.24Å; L1733-F1735 HydrophobicContact CD2-CE2 3.78Å; L1733-F1735 HydrophobicContact CD2-CZ 3.48Å; L1733-F1735 VanDerWaalsContact CD2-CZ 3.44Å; L1733-F1735 HydrophobicContact CG-CE2 4.14Å; L1733-F1735 HydrophobicContact CG-CZ 4.16Å
1736V72.1Confident72.3Confident15.6 Ų15.670.1 Ų70.110%0.09537%0.371CS..EExtended strand (participates in β ladder)trans-109.1141.8-174.2-174.90000110.9R1687 L1688 L1690 L1734 A1740 L1745R1687-V1736 CarbonylContact C-O 3.56Å; R1687-V1736 VanDerWaalsContact CA-O 3.25Å; R1687-V1736 WeakPolarHBondContact CA-O 3.34Å; R1687-V1736 WeakPolarHBondContact CB-O 3.37Å; L1688-V1736 PolarHBondContact N-O 3.19Å; L1688-V1736 PolarHBondContact O-N 3.12Å; L1690-V1736 HydrophobicContact CD1-CB 4.32Å; L1690-V1736 HydrophobicContact CD1-CG2 3.6Å; L1690-V1736 HydrophobicContact CG-CB 4.48Å; L1690-V1736 HydrophobicContact CG-CG2 4.01Å; L1734-V1736 HydrophobicContact CD2-CG2 3.58Å; L1734-V1736 VanDerWaalsContact CD2-CG2 3.46Å; L1734-V1736 HydrophobicContact CG-CG2 3.89Å; V1736-A1740 HydrophobicContact CG1-CB 3.65Å; V1736-L1745 HydrophobicContact CG2-CD1 4.03Å
1737S71.9Confident72.5Confident50 Ų5072.1 Ų72.135%0.3537%0.372SS..  trans-72.1138.6169.1178.60000110.1L1739 A1740S1737-L1739 PolarHBondContact O-N 3.04Å; S1737-L1739 PolarHBondContact OG-N 3.11Å; S1737-A1740 VanDerWaalsContact O-CB 3.27Å; S1737-A1740 WeakPolarHBondContact O-CB 3.4Å; S1737-A1740 PolarHBondContact O-N 3.04Å
1738P65Low72.8Confident40.6 Ų40.669.7 Ų69.726%0.26436%0.364SS..THydrogen-bonded Turntrans-54.5-20.4174.7-27.435.3000114.9I1684 K1686 L1688 A1740I1684-P1738 WeakPolarHBondContact O-CD 3.4Å; I1684-P1738 WeakPolarHBondContact O-CG 3.27Å; K1686-P1738 VanDerWaalsContact O-CD 3.29Å; K1686-P1738 WeakPolarHBondContact O-CD 3.32Å; K1686-P1738 VanDerWaalsContact O-CG 3.29Å; K1686-P1738 WeakPolarHBondContact O-CG 3.36Å; L1688-P1738 HydrophobicContact CD1-CB 4.42Å; L1688-P1738 HydrophobicContact CD1-CG 4.34Å; L1688-P1738 HydrophobicContact CG-CG 4.18Å; P1738-A1740 VanDerWaalsContact C-N 3.33Å
1739L71.2Confident73.2Confident104.2 Ų104.266.6 Ų66.655%0.54635%0.347SS..THydrogen-bonded Turntrans-95.62.8177.8-58.6177.9000114.1I1684 S1737 T1741 L2272I1684-L1739 HydrophobicContact CG2-CD1 3.85Å; I1684-L1739 HydrophobicContact CG2-CD2 4.16Å; I1684-L1739 HydrophobicContact CG2-CG 3.94Å; S1737-L1739 PolarHBondContact O-N 3.04Å; S1737-L1739 PolarHBondContact OG-N 3.11Å; L1739-T1741 PolarHBondContact O-N 2.93Å; L1739-L2272 HydrophobicContact CD1-CD2 3.83Å
1740A67.7Low73.4Confident33 Ų3366.8 Ų66.827%0.27336%0.356SS..  trans-75.1130.8178.300000111V1736 S1737 P1738V1736-A1740 HydrophobicContact CG1-CB 3.65Å; S1737-A1740 VanDerWaalsContact O-CB 3.27Å; S1737-A1740 WeakPolarHBondContact O-CB 3.4Å; S1737-A1740 PolarHBondContact O-N 3.04Å; P1738-A1740 VanDerWaalsContact C-N 3.33Å
1741T75.4Confident73.5Confident62.8 Ų62.865.3 Ų65.339%0.38535%0.351SS..  trans-77.5154.3179.367.20000111.9L1739 G1743 Q1744 L1745 N2279L1739-T1741 PolarHBondContact O-N 2.93Å; T1741-G1743 VanDerWaalsContact C-N 3.27Å; T1741-G1743 PolarHBondContact O-N 3.05Å; T1741-Q1744 WeakPolarHBondContact O-CA 3.37Å; T1741-Q1744 WeakPolarHBondContact O-CB 3.44Å; T1741-Q1744 PolarHBondContact O-N 3.05Å; T1741-Q1744 VanDerWaalsContact O-N 3.09Å; T1741-Q1744 VanDerWaalsContact OG1-CG 3.29Å; T1741-Q1744 WeakPolarHBondContact OG1-CG 3.37Å; T1741-Q1744 PolarHBondContact OG1-N 3.13Å; T1741-Q1744 PolarHBondContact OG1-OE1 3.11Å; T1741-L1745 PolarHBondContact O-N 3.06Å; T1741-L1745 VanDerWaalsContact O-N 3.13Å; T1741-N2279 HydrophobicContact CG2-CB 4.4Å
1742V75.5Confident73.8Confident98.8 Ų98.864.3 Ų64.360%0.59933%0.332SS*.Hα-helixtrans-55.5-41176.5179.90000111.2Q1744 L1745 E1746V1742-Q1744 VanDerWaalsContact C-N 3.3Å; V1742-Q1744 PolarHBondContact O-N 3.21Å; V1742-L1745 WeakPolarHBondContact O-CB 3.32Å; V1742-L1745 PolarHBondContact O-N 3.1Å; V1742-L1745 VanDerWaalsContact O-N 3.08Å; V1742-E1746 WeakPolarHBondContact O-CB 3.42Å; V1742-E1746 PolarHBondContact O-N 3.25Å
1743G74.5Confident73.8Confident21.4 Ų21.460.9 Ų60.922%0.22132%0.32CS..Hα-helixtrans-68-25.5176.300000114.7T1741 R1747T1741-G1743 VanDerWaalsContact C-N 3.27Å; T1741-G1743 PolarHBondContact O-N 3.05Å; G1743-R1747 WeakPolarHBondContact O-CB 3.34Å; G1743-R1747 WeakPolarHBondContact O-CD 3.42Å; G1743-R1747 VanDerWaalsContact O-CG 3.26Å; G1743-R1747 WeakPolarHBondContact O-CG 3.35Å; G1743-R1747 PolarHBondContact O-N 3.28Å; G1743-R1747 VanDerWaalsContact O-N 3.13Å; G1743-R1747 PolarHBondContact O-NH1 3.2Å
1744Q71.9Confident73.6Confident82.4 Ų82.459.6 Ų59.639%0.38532%0.315SS..Hα-helixtrans-72.7-42.8169.3-74.1164-9.400110.8T1741 V1742 R1747 F1748 N2279T1741-Q1744 WeakPolarHBondContact O-CA 3.37Å; T1741-Q1744 WeakPolarHBondContact O-CB 3.44Å; T1741-Q1744 PolarHBondContact O-N 3.05Å; T1741-Q1744 VanDerWaalsContact O-N 3.09Å; T1741-Q1744 VanDerWaalsContact OG1-CG 3.29Å; T1741-Q1744 WeakPolarHBondContact OG1-CG 3.37Å; T1741-Q1744 PolarHBondContact OG1-N 3.13Å; T1741-Q1744 PolarHBondContact OG1-OE1 3.11Å; V1742-Q1744 VanDerWaalsContact C-N 3.3Å; V1742-Q1744 PolarHBondContact O-N 3.21Å; Q1744-R1747 PolarHBondContact O-N 2.96Å; Q1744-F1748 VanDerWaalsContact O-CB 3.31Å; Q1744-F1748 WeakPolarHBondContact O-CB 3.38Å; Q1744-F1748 PolarHBondContact O-N 3.25Å; Q1744-N2279 PolarHBondContact NE2-OD1 3.36Å
1745L78.1Confident73.4Confident33.6 Ų33.664.1 Ų64.118%0.17633%0.334CS..Hα-helixtrans-63.9-42.6176.5-179.259.3000111.7L1690 L1734 V1736 T1741 V1742 F1748 L1749L1690-L1745 HydrophobicContact CD1-CD1 4.48Å; L1690-L1745 HydrophobicContact CD1-CD2 3.98Å; L1734-L1745 HydrophobicContact CD1-CD1 4.31Å; L1734-L1745 HydrophobicContact CD2-CD1 3.71Å; V1736-L1745 HydrophobicContact CG2-CD1 4.03Å; T1741-L1745 PolarHBondContact O-N 3.06Å; T1741-L1745 VanDerWaalsContact O-N 3.13Å; V1742-L1745 WeakPolarHBondContact O-CB 3.32Å; V1742-L1745 PolarHBondContact O-N 3.1Å; V1742-L1745 VanDerWaalsContact O-N 3.08Å; L1745-F1748 WeakPolarHBondContact O-CB 3.28Å; L1745-F1748 PolarHBondContact O-N 3.32Å; L1745-L1749 HydrophobicContact CD1-CD1 4.08Å; L1745-L1749 HydrophobicContact CD1-CG 4.13Å; L1745-L1749 HydrophobicContact CG-CD1 4.04Å; L1745-L1749 HydrophobicContact CG-CG 4.44Å; L1745-L1749 WeakPolarHBondContact O-CB 3.33Å; L1745-L1749 VanDerWaalsContact O-CG 3.3Å; L1745-L1749 WeakPolarHBondContact O-CG 3.36Å; L1745-L1749 PolarHBondContact O-N 3.24Å
1746E78.1Confident73.4Confident109.2 Ų109.260.8 Ų60.851%0.5132%0.32SS..Hα-helixtrans-61.4-49.5175.3-173.1-169.2178.400111.8V1742 F1748 L1749 S1750V1742-E1746 WeakPolarHBondContact O-CB 3.42Å; V1742-E1746 PolarHBondContact O-N 3.25Å; E1746-F1748 VanDerWaalsContact C-N 3.28Å; E1746-F1748 PolarHBondContact O-N 2.97Å; E1746-L1749 PolarHBondContact O-N 3.16Å; E1746-S1750 VanDerWaalsContact O-CB 3.27Å; E1746-S1750 WeakPolarHBondContact O-CB 3.36Å; E1746-S1750 PolarHBondContact O-N 3.03Å
1747R71.9Confident73.7Confident129.8 Ų129.861 Ų6149%0.4932%0.319SS..Hα-helixtrans-59.8-40.2175.5-73.5172.7-174.3150.8-8.1112E1160 G1743 Q1744 S1750 R1751 E1815 N2281E1160-R1747 IonicContact OE1-CZ 3.79Å; E1160-R1747 IonicContact OE1-NH1 2.65Å; E1160-R1747 PolarHBondContact OE1-NH1 3.47Å; E1160-R1747 IonicContact OE1-NH2 3.27Å; E1160-R1747 PolarHBondContact OE1-NH2 2.91Å; E1160-R1747 IonicContact OE2-NH2 3.46Å; G1743-R1747 WeakPolarHBondContact O-CB 3.34Å; G1743-R1747 WeakPolarHBondContact O-CD 3.42Å; G1743-R1747 VanDerWaalsContact O-CG 3.26Å; G1743-R1747 WeakPolarHBondContact O-CG 3.35Å; G1743-R1747 PolarHBondContact O-N 3.28Å; G1743-R1747 VanDerWaalsContact O-N 3.13Å; G1743-R1747 PolarHBondContact O-NH1 3.2Å; Q1744-R1747 PolarHBondContact O-N 2.96Å; R1747-S1750 PolarHBondContact O-N 3.08Å; R1747-S1750 PolarHBondContact O-OG 3.25Å; R1747-R1751 WeakPolarHBondContact O-CB 3.42Å; R1747-R1751 VanDerWaalsContact O-CG 3.29Å; R1747-R1751 WeakPolarHBondContact O-CG 3.4Å; R1747-R1751 PolarHBondContact O-N 3.12Å; R1747-R1751 VanDerWaalsContact O-N 3.15Å; R1747-E1815 IonicContact CZ-OE2 3.4Å; R1747-E1815 IonicContact NH1-OE2 2.73Å; R1747-E1815 PolarHBondContact NH1-OE2 2.99Å; R1747-E1815 IonicContact NH2-OE2 3.64Å; R1747-N2281 VanDerWaalsContact CZ-OD1 3.25Å; R1747-N2281 PolarHBondContact NH1-OD1 2.99Å; R1747-N2281 PolarHBondContact NH2-OD1 3.06Å
1748F75Confident74Confident66.2 Ų66.261.5 Ų61.529%0.2931%0.313SS..Hα-helixtrans-64.3-49.7176.2179.7-98.4000111.4L1734 Q1744 L1745 E1746 S1750 R1751 M1752 M2243L1734-F1748 HydrophobicContact CD1-CD1 4.15Å; L1734-F1748 HydrophobicContact CD1-CE1 3.64Å; L1734-F1748 VanDerWaalsContact CD1-CE1 3.43Å; L1734-F1748 HydrophobicContact CD1-CZ 3.8Å; L1734-F1748 HydrophobicContact CD2-CD1 4.19Å; L1734-F1748 HydrophobicContact CD2-CE1 4.14Å; L1734-F1748 HydrophobicContact CG-CE1 4.3Å; Q1744-F1748 VanDerWaalsContact O-CB 3.31Å; Q1744-F1748 WeakPolarHBondContact O-CB 3.38Å; Q1744-F1748 PolarHBondContact O-N 3.25Å; L1745-F1748 WeakPolarHBondContact O-CB 3.28Å; L1745-F1748 PolarHBondContact O-N 3.32Å; E1746-F1748 VanDerWaalsContact C-N 3.28Å; E1746-F1748 PolarHBondContact O-N 2.97Å; F1748-S1750 VanDerWaalsContact C-N 3.31Å; F1748-S1750 PolarHBondContact O-N 3.17Å; F1748-R1751 PolarHBondContact O-N 2.94Å; F1748-M1752 HydrophobicContact CD1-CE 3.53Å; F1748-M1752 HydrophobicContact CD1-SD 4.33Å; F1748-M1752 HydrophobicContact CD2-CE 3.73Å; F1748-M1752 HydrophobicContact CE1-CB 4.43Å; F1748-M1752 HydrophobicContact CE1-CE 3.78Å; F1748-M1752 HydrophobicContact CE1-SD 3.71Å; F1748-M1752 WeakPolarHBondContact CE1-SD 3.27Å; F1748-M1752 HydrophobicContact CE2-CE 3.41Å; F1748-M1752 VanDerWaalsContact CE2-CE 3.41Å; F1748-M1752 HydrophobicContact CG-CE 3.79Å; F1748-M1752 HydrophobicContact CZ-CE 3.93Å; F1748-M1752 HydrophobicContact CZ-SD 4.09Å; F1748-M1752 VanDerWaalsContact O-CB 3.32Å; F1748-M1752 WeakPolarHBondContact O-CB 3.35Å; F1748-M1752 WeakPolarHBondContact O-CG 3.45Å; F1748-M1752 PolarHBondContact O-N 3.12Å; F1748-M1752 VanDerWaalsContact O-N 3.13Å; F1748-M2243 HydrophobicContact CZ-CE 4.47Å
1749L78.2Confident74.6Confident39.6 Ų39.662.9 Ų62.921%0.20732%0.316CS..Hα-helixtrans-64.8-34.9177.9-71.6173.6000112.3L1692 L1734 L1745 E1746 M1752 S1753L1692-L1749 HydrophobicContact CD1-CD2 3.79Å; L1692-L1749 HydrophobicContact CD2-CD1 4.36Å; L1692-L1749 HydrophobicContact CD2-CD2 3.89Å; L1692-L1749 HydrophobicContact CG-CD2 4.4Å; L1734-L1749 HydrophobicContact CD1-CD2 3.81Å; L1734-L1749 HydrophobicContact CD1-CG 4.45Å; L1734-L1749 HydrophobicContact CD2-CD2 3.97Å; L1734-L1749 HydrophobicContact CD2-CG 4.39Å; L1745-L1749 HydrophobicContact CD1-CD1 4.08Å; L1745-L1749 HydrophobicContact CD1-CG 4.13Å; L1745-L1749 HydrophobicContact CG-CD1 4.04Å; L1745-L1749 HydrophobicContact CG-CG 4.44Å; L1745-L1749 WeakPolarHBondContact O-CB 3.33Å; L1745-L1749 VanDerWaalsContact O-CG 3.3Å; L1745-L1749 WeakPolarHBondContact O-CG 3.36Å; L1745-L1749 PolarHBondContact O-N 3.24Å; E1746-L1749 PolarHBondContact O-N 3.16Å; L1749-M1752 HydrophobicContact CD2-SD 4.3Å; L1749-M1752 PolarHBondContact O-N 2.97Å; L1749-S1753 WeakPolarHBondContact O-CA 3.25Å; L1749-S1753 VanDerWaalsContact O-CB 3.27Å; L1749-S1753 WeakPolarHBondContact O-CB 3.38Å; L1749-S1753 PolarHBondContact O-N 3.06Å; L1749-S1753 PolarHBondContact O-OG 2.99Å
1750S74.9Confident74.9Confident54.8 Ų54.860.2 Ų60.238%0.38331%0.306SS..Hα-helixtrans-65.5-47.3174.5169.60000111.5E1746 R1747 F1748 M1752 S1753 T1754 Q1756E1746-S1750 VanDerWaalsContact O-CB 3.27Å; E1746-S1750 WeakPolarHBondContact O-CB 3.36Å; E1746-S1750 PolarHBondContact O-N 3.03Å; R1747-S1750 PolarHBondContact O-N 3.08Å; R1747-S1750 PolarHBondContact O-OG 3.25Å; F1748-S1750 VanDerWaalsContact C-N 3.31Å; F1748-S1750 PolarHBondContact O-N 3.17Å; S1750-M1752 VanDerWaalsContact C-N 3.3Å; S1750-M1752 PolarHBondContact O-N 3.06Å; S1750-S1753 PolarHBondContact O-N 3.15Å; S1750-S1753 PolarHBondContact O-OG 3.2Å; S1750-T1754 WeakPolarHBondContact O-CB 3.33Å; S1750-T1754 PolarHBondContact O-N 3.02Å; S1750-T1754 PolarHBondContact O-OG1 3.17Å; S1750-Q1756 PolarHBondContact O-NE2 3.45Å
1751R72.4Confident75.3Confident115.6 Ų115.661.4 Ų61.444%0.43631%0.312SS..Hα-helixtrans-62.1-31.2173.4-74.5177.4174.8177.1-0.8112.9R1747 F1748 Q1756 E1815 D1816R1747-R1751 WeakPolarHBondContact O-CB 3.42Å; R1747-R1751 VanDerWaalsContact O-CG 3.29Å; R1747-R1751 WeakPolarHBondContact O-CG 3.4Å; R1747-R1751 PolarHBondContact O-N 3.12Å; R1747-R1751 VanDerWaalsContact O-N 3.15Å; F1748-R1751 PolarHBondContact O-N 2.94Å; R1751-Q1756 WeakPolarHBondContact O-CG 3.25Å; R1751-Q1756 PolarHBondContact O-NE2 3.18Å; R1751-Q1756 VanDerWaalsContact O-NE2 3.1Å; R1751-E1815 PolarHBondContact NH2-O 3.07Å; R1751-D1816 IonicContact CZ-OD1 3.4Å; R1751-D1816 IonicContact NE-OD1 3.18Å; R1751-D1816 PolarHBondContact NE-OD1 3.33Å; R1751-D1816 IonicContact NH2-OD1 2.93Å; R1751-D1816 PolarHBondContact NH2-OD1 3.01Å
1752M72.8Confident75.4Confident32.4 Ų32.460.6 Ų60.616%0.1630%0.302CS..Hα-helixtrans-83-29.9179.1-157.5-176.6-166.200113.9K1132 L1692 W1729 L1734 F1748 L1749 S1750 M2243K1132-M1752 VanDerWaalsContact CE-CE 3.43Å; K1132-M1752 WeakPolarHBondContact CE-SD 3.42Å; K1132-M1752 PolarHBondContact NZ-SD 2.91Å; L1692-M1752 HydrophobicContact CD1-CE 4.4Å; L1692-M1752 HydrophobicContact CD1-SD 4.49Å; W1729-M1752 HydrophobicContact CD2-CE 3.84Å; W1729-M1752 VanDerWaalsContact CD2-CE 3.47Å; W1729-M1752 HydrophobicContact CD2-CG 4.07Å; W1729-M1752 HydrophobicContact CD2-SD 3.83Å; W1729-M1752 HydrophobicContact CE3-CE 3.44Å; W1729-M1752 VanDerWaalsContact CE3-CE 3.47Å; W1729-M1752 HydrophobicContact CE3-CG 4.42Å; W1729-M1752 HydrophobicContact CE3-SD 3.89Å; W1729-M1752 HydrophobicContact CG-CE 4.21Å; W1729-M1752 HydrophobicContact CG-CG 4.4Å; W1729-M1752 HydrophobicContact CG-SD 4.31Å; W1729-M1752 HydrophobicContact CH2-CE 3.89Å; W1729-M1752 HydrophobicContact CH2-CG 4.21Å; W1729-M1752 HydrophobicContact CH2-SD 4.39Å; W1729-M1752 HydrophobicContact CZ2-CB 4.14Å; W1729-M1752 HydrophobicContact CZ2-CE 4.22Å; W1729-M1752 HydrophobicContact CZ2-CG 3.78Å; W1729-M1752 WeakPolarHBondContact CZ2-O 3.26Å; W1729-M1752 HydrophobicContact CZ2-SD 4.27Å; W1729-M1752 HydrophobicContact CZ3-CE 3.46Å; W1729-M1752 VanDerWaalsContact CZ3-CE 3.46Å; W1729-M1752 HydrophobicContact CZ3-CG 4.37Å; W1729-M1752 HydrophobicContact CZ3-SD 4.24Å; W1729-M1752 PolarHBondContact NE1-O 3.08Å; L1734-M1752 HydrophobicContact CD1-CE 4.07Å; L1734-M1752 HydrophobicContact CD1-SD 4.4Å; F1748-M1752 HydrophobicContact CD1-CE 3.53Å; F1748-M1752 HydrophobicContact CD1-SD 4.33Å; F1748-M1752 HydrophobicContact CD2-CE 3.73Å; F1748-M1752 HydrophobicContact CE1-CB 4.43Å; F1748-M1752 HydrophobicContact CE1-CE 3.78Å; F1748-M1752 HydrophobicContact CE1-SD 3.71Å; F1748-M1752 WeakPolarHBondContact CE1-SD 3.27Å; F1748-M1752 HydrophobicContact CE2-CE 3.41Å; F1748-M1752 VanDerWaalsContact CE2-CE 3.41Å; F1748-M1752 HydrophobicContact CG-CE 3.79Å; F1748-M1752 HydrophobicContact CZ-CE 3.93Å; F1748-M1752 HydrophobicContact CZ-SD 4.09Å; F1748-M1752 VanDerWaalsContact O-CB 3.32Å; F1748-M1752 WeakPolarHBondContact O-CB 3.35Å; F1748-M1752 WeakPolarHBondContact O-CG 3.45Å; F1748-M1752 PolarHBondContact O-N 3.12Å; F1748-M1752 VanDerWaalsContact O-N 3.13Å; L1749-M1752 HydrophobicContact CD2-SD 4.3Å; L1749-M1752 PolarHBondContact O-N 2.97Å; S1750-M1752 VanDerWaalsContact C-N 3.3Å; S1750-M1752 PolarHBondContact O-N 3.06Å; M1752-M2243 HydrophobicContact CE-CE 3.51Å; M1752-M2243 HydrophobicContact CE-SD 4.15Å
1753S72.4Confident75.4Confident21.6 Ų21.661.1 Ų61.115%0.15130%0.301CS..Hα-helixtrans-97.7-21.2-175.3610000114L1726 Y1727 L1749 S1750L1726-S1753 CarbonylContact C-O 3.56Å; L1726-S1753 VanDerWaalsContact CA-O 3.28Å; L1726-S1753 WeakPolarHBondContact CA-O 3.32Å; Y1727-S1753 WeakPolarHBondContact CD2-O 3.48Å; Y1727-S1753 PolarHBondContact N-O 3.23Å; L1749-S1753 WeakPolarHBondContact O-CA 3.25Å; L1749-S1753 VanDerWaalsContact O-CB 3.27Å; L1749-S1753 WeakPolarHBondContact O-CB 3.38Å; L1749-S1753 PolarHBondContact O-N 3.06Å; L1749-S1753 PolarHBondContact O-OG 2.99Å; S1750-S1753 PolarHBondContact O-N 3.15Å; S1750-S1753 PolarHBondContact O-OG 3.2Å
1754T71Confident75.6Confident37 Ų3765.4 Ų65.423%0.22732%0.319CS..SBendtrans-97.4143.2175.6580000111.5L1726 S1750 Q1756L1726-T1754 HydrophobicContact CD2-CG2 3.72Å; S1750-T1754 WeakPolarHBondContact O-CB 3.33Å; S1750-T1754 PolarHBondContact O-N 3.02Å; S1750-T1754 PolarHBondContact O-OG1 3.17Å; T1754-Q1756 PolarHBondContact O-N 3.24Å; T1754-Q1756 PolarHBondContact O-NE2 3.14Å; T1754-Q1756 PolarHBondContact OG1-NE2 2.91Å
1755K73.8Confident76.1Confident106.8 Ų106.861.8 Ų61.846%0.46430%0.302SS..PPolyproline II helixtrans-61.5125.5168.6-172.4-173178-1760109.4Y1727 E1759Y1727-K1755 HydrophobicContact CE2-CB 4.38Å; K1755-E1759 WeakPolarHBondContact CA-OE2 3.35Å; K1755-E1759 HydrophobicContact CD-CB 4.48Å; K1755-E1759 VanDerWaalsContact CE-C 3.41Å; K1755-E1759 VanDerWaalsContact CE-CB 3.46Å; K1755-E1759 WeakPolarHBondContact CE-O 3.39Å; K1755-E1759 HydrophobicContact CG-CB 4Å; K1755-E1759 VanDerWaalsContact CG-OE2 3.28Å; K1755-E1759 WeakPolarHBondContact CG-OE2 3.29Å; K1755-E1759 PolarHBondContact NZ-O 3.15Å
1756Q76.6Confident76.2Confident21.4 Ų21.461.7 Ų61.710%0.130%0.304CS..PPolyproline II helixtrans-82.3157.4-176.9-62.9-52.6-55.100112.6S1750 R1751 T1754 Y1758 E1759S1750-Q1756 PolarHBondContact O-NE2 3.45Å; R1751-Q1756 WeakPolarHBondContact O-CG 3.25Å; R1751-Q1756 PolarHBondContact O-NE2 3.18Å; R1751-Q1756 VanDerWaalsContact O-NE2 3.1Å; T1754-Q1756 PolarHBondContact O-N 3.24Å; T1754-Q1756 PolarHBondContact O-NE2 3.14Å; T1754-Q1756 PolarHBondContact OG1-NE2 2.91Å; Q1756-Y1758 VanDerWaalsContact C-N 3.3Å; Q1756-Y1758 HydrophobicContact CB-CD1 3.93Å; Q1756-Y1758 HydrophobicContact CB-CD2 4.44Å; Q1756-Y1758 HydrophobicContact CB-CE1 3.4Å; Q1756-Y1758 VanDerWaalsContact CB-CE1 3.45Å; Q1756-Y1758 HydrophobicContact CB-CE2 4.04Å; Q1756-Y1758 HydrophobicContact CB-CG 4.43Å; Q1756-Y1758 VanDerWaalsContact CB-CZ 3.45Å; Q1756-Y1758 HydrophobicContact CG-CE1 3.93Å; Q1756-Y1758 WeakPolarHBondContact CG-OH 3.39Å; Q1756-Y1758 PolarHBondContact O-N 3.25Å; Q1756-E1759 HydrophobicContact CB-CG 4.11Å; Q1756-E1759 PolarHBondContact N-OE2 3.31Å; Q1756-E1759 VanDerWaalsContact N-OE2 3.1Å; Q1756-E1759 WeakPolarHBondContact O-CB 3.23Å; Q1756-E1759 PolarHBondContact O-N 2.87Å
1757W78.4Confident76.3Confident19.4 Ų19.456.6 Ų56.67%0.07328%0.28CS..G310 helixtrans-59.3-41.4-174.862.6-94.8000112.2E1759 C1760 L1765 L1767 L1805 A1806 N1808 I1818 L1825W1757-E1759 PolarHBondContact O-N 3.29Å; W1757-E1759 VanDerWaalsContact O-N 3.15Å; W1757-C1760 WeakPolarHBondContact O-CB 3.27Å; W1757-C1760 PolarHBondContact O-N 3.14Å; W1757-C1760 VanDerWaalsContact O-N 3.1Å; W1757-C1760 PolarHBondContact O-SG 3.34Å; W1757-C1760 VanDerWaalsContact O-SG 3.34Å; W1757-L1765 HydrophobicContact CE3-CD2 4.03Å; W1757-L1765 HydrophobicContact CZ3-CD2 4.41Å; W1757-L1765 WeakPolarHBondContact O-CD2 3.28Å; W1757-L1767 HydrophobicContact CZ3-CD2 4.32Å; W1757-L1805 WeakPolarHBondContact CH2-O 3.26Å; W1757-A1806 WeakPolarHBondContact CZ2-O 3.43Å; W1757-N1808 HydrophobicContact CD2-CB 3.78Å; W1757-N1808 HydrophobicContact CE3-CB 3.53Å; W1757-N1808 VanDerWaalsContact CE3-CB 3.49Å; W1757-N1808 HydrophobicContact CG-CB 4.47Å; W1757-N1808 HydrophobicContact CH2-CB 4.02Å; W1757-N1808 HydrophobicContact CZ2-CB 4.24Å; W1757-N1808 HydrophobicContact CZ3-CB 3.66Å; W1757-I1818 HydrophobicContact CZ2-CB 4.46Å; W1757-I1818 HydrophobicContact CZ2-CD1 4.36Å; W1757-L1825 HydrophobicContact CH2-CD1 3.95Å; W1757-L1825 HydrophobicContact CZ3-CD1 3.74Å
1758Y78.5Confident76.8Confident61 Ų6151.4 Ų51.424%0.23926%0.261CS..G310 helixtrans-72-4.9178.159.4-99.5000114.3Q1756 C1760 I1818 V1823Q1756-Y1758 VanDerWaalsContact C-N 3.3Å; Q1756-Y1758 HydrophobicContact CB-CD1 3.93Å; Q1756-Y1758 HydrophobicContact CB-CD2 4.44Å; Q1756-Y1758 HydrophobicContact CB-CE1 3.4Å; Q1756-Y1758 VanDerWaalsContact CB-CE1 3.45Å; Q1756-Y1758 HydrophobicContact CB-CE2 4.04Å; Q1756-Y1758 HydrophobicContact CB-CG 4.43Å; Q1756-Y1758 VanDerWaalsContact CB-CZ 3.45Å; Q1756-Y1758 HydrophobicContact CG-CE1 3.93Å; Q1756-Y1758 WeakPolarHBondContact CG-OH 3.39Å; Q1756-Y1758 PolarHBondContact O-N 3.25Å; Y1758-C1760 VanDerWaalsContact C-N 3.34Å; Y1758-I1818 HydrophobicContact CD1-CD1 3.83Å; Y1758-I1818 HydrophobicContact CE1-CD1 3.53Å; Y1758-I1818 VanDerWaalsContact CE1-CD1 3.45Å; Y1758-V1823 HydrophobicContact CD1-CG1 3.96Å; Y1758-V1823 HydrophobicContact CD2-CB 3.89Å; Y1758-V1823 HydrophobicContact CD2-CG1 3.49Å; Y1758-V1823 VanDerWaalsContact CD2-CG1 3.49Å; Y1758-V1823 HydrophobicContact CE1-CG1 4.23Å; Y1758-V1823 HydrophobicContact CE2-CG1 3.8Å; Y1758-V1823 HydrophobicContact CG-CB 3.93Å; Y1758-V1823 HydrophobicContact CG-CG1 3.59Å; Y1758-V1823 HydrophobicContact CG-CG2 4.44Å
1759E77.9Confident77.1Confident70.2 Ų70.250.7 Ų50.733%0.32826%0.264SS..G310 helixtrans-92.6-3.7174.4-57.7173.8164.800112.2Y1727 K1755 Q1756 W1757Y1727-E1759 PolarHBondContact OH-OE2 3.18Å; K1755-E1759 WeakPolarHBondContact CA-OE2 3.35Å; K1755-E1759 HydrophobicContact CD-CB 4.48Å; K1755-E1759 VanDerWaalsContact CE-C 3.41Å; K1755-E1759 VanDerWaalsContact CE-CB 3.46Å; K1755-E1759 WeakPolarHBondContact CE-O 3.39Å; K1755-E1759 HydrophobicContact CG-CB 4Å; K1755-E1759 VanDerWaalsContact CG-OE2 3.28Å; K1755-E1759 WeakPolarHBondContact CG-OE2 3.29Å; K1755-E1759 PolarHBondContact NZ-O 3.15Å; Q1756-E1759 HydrophobicContact CB-CG 4.11Å; Q1756-E1759 PolarHBondContact N-OE2 3.31Å; Q1756-E1759 VanDerWaalsContact N-OE2 3.1Å; Q1756-E1759 WeakPolarHBondContact O-CB 3.23Å; Q1756-E1759 PolarHBondContact O-N 2.87Å; W1757-E1759 PolarHBondContact O-N 3.29Å; W1757-E1759 VanDerWaalsContact O-N 3.15Å
1760C77.5Confident77.3Confident47.6 Ų47.650.9 Ų50.932%0.32226%0.264SS..SBendtrans-71.6165.5169.4-61.50000111W1757 Y1758 D1764 L1765W1757-C1760 WeakPolarHBondContact O-CB 3.27Å; W1757-C1760 PolarHBondContact O-N 3.14Å; W1757-C1760 VanDerWaalsContact O-N 3.1Å; W1757-C1760 PolarHBondContact O-SG 3.34Å; W1757-C1760 VanDerWaalsContact O-SG 3.34Å; Y1758-C1760 VanDerWaalsContact C-N 3.34Å; C1760-D1764 HydrophobicContact CB-CB 3.98Å; C1760-L1765 HydrophobicContact CB-CD2 4.19Å
1761S76.5Confident77.6Confident58.8 Ų58.848.5 Ų48.541%0.41125%0.247SC..  trans-60.1148.9171.9-164.80000108.9R1071 L1763 D1764R1071-S1761 PolarHBondContact NH1-OG 3.27Å; R1071-S1761 PolarHBondContact NH2-OG 2.87Å; S1761-L1763 PolarHBondContact O-N 3.06Å; S1761-D1764 WeakPolarHBondContact CA-OD2 3.44Å; S1761-D1764 VanDerWaalsContact CB-CG 3.48Å; S1761-D1764 WeakPolarHBondContact CB-OD1 3.49Å; S1761-D1764 WeakPolarHBondContact CB-OD2 3.32Å; S1761-D1764 PolarHBondContact N-OD2 3.21Å; S1761-D1764 WeakPolarHBondContact O-CA 3.41Å; S1761-D1764 WeakPolarHBondContact O-CB 3.4Å; S1761-D1764 PolarHBondContact O-N 3.19Å
1762R78.2Confident77.8Confident45.2 Ų45.249 Ų4917%0.17125%0.254CS..G310 helixtrans-51.6-44.4177.8-159174.6174.8108.6-4.1109.9D1764 L1765 W1768 L1825 L1916 G1917 H2044 D2045R1762-D1764 VanDerWaalsContact C-N 3.27Å; R1762-D1764 PolarHBondContact O-N 3.12Å; R1762-D1764 VanDerWaalsContact O-N 3.11Å; R1762-L1765 WeakPolarHBondContact O-CB 3.26Å; R1762-L1765 VanDerWaalsContact O-CG 3.3Å; R1762-L1765 WeakPolarHBondContact O-CG 3.35Å; R1762-L1765 PolarHBondContact O-N 2.96Å; R1762-L1765 VanDerWaalsContact O-N 3.14Å; R1762-W1768 HydrophobicContact CB-CZ2 4.44Å; R1762-W1768 HydrophobicContact CG-CH2 3.57Å; R1762-W1768 HydrophobicContact CG-CZ2 3.69Å; R1762-W1768 HydrophobicContact CG-CZ3 4.4Å; R1762-W1768 VanDerWaalsContact NH2-CH2 3.28Å; R1762-W1768 WeakPolarHBondContact O-CZ3 3.47Å; R1762-W1768 PolarHBondContact O-NE1 3.01Å; R1762-L1825 PolarHBondContact NH1-O 3.22Å; R1762-L1916 PolarHBondContact NH2-O 3.19Å; R1762-L1916 VanDerWaalsContact NH2-O 3.1Å; R1762-G1917 VanDerWaalsContact NH2-C 3.31Å; R1762-G1917 VanDerWaalsContact NH2-CA 3.34Å; R1762-G1917 PolarHBondContact NH2-O 3.03Å; R1762-H2044 VanDerWaalsContact CD-O 3.27Å; R1762-H2044 WeakPolarHBondContact CD-O 3.24Å; R1762-H2044 PolarHBondContact NE-O 3.07Å; R1762-D2045 WeakPolarHBondContact CD-O 3.41Å
1763L75.4Confident78Confident108.4 Ų108.451.8 Ų51.857%0.56827%0.269SS*.G310 helixtrans-64.7-22.4178.9-58.1178000115S1761 L1765 D2045S1761-L1763 PolarHBondContact O-N 3.06Å; L1763-L1765 VanDerWaalsContact C-N 3.29Å; L1763-L1765 PolarHBondContact O-N 3.05Å; L1763-D2045 HydrophobicContact CD2-CB 4.48Å
1764D78.7Confident78.1Confident112.2 Ų112.251.9 Ų51.960%0.627%0.271SS*.G310 helixtrans-81.5-10.1-179.6-50.3-24.4000112.5C1760 S1761 R1762 S1766C1760-D1764 HydrophobicContact CB-CB 3.98Å; S1761-D1764 WeakPolarHBondContact CA-OD2 3.44Å; S1761-D1764 VanDerWaalsContact CB-CG 3.48Å; S1761-D1764 WeakPolarHBondContact CB-OD1 3.49Å; S1761-D1764 WeakPolarHBondContact CB-OD2 3.32Å; S1761-D1764 PolarHBondContact N-OD2 3.21Å; S1761-D1764 WeakPolarHBondContact O-CA 3.41Å; S1761-D1764 WeakPolarHBondContact O-CB 3.4Å; S1761-D1764 PolarHBondContact O-N 3.19Å; R1762-D1764 VanDerWaalsContact C-N 3.27Å; R1762-D1764 PolarHBondContact O-N 3.12Å; R1762-D1764 VanDerWaalsContact O-N 3.11Å; D1764-S1766 PolarHBondContact O-N 2.85Å
1765L81.6Confident78.1Confident8 Ų853.1 Ų53.14%0.04228%0.276CS..  trans-75.3132.5-173.4-63.9176000111.7W1757 C1760 R1762 L1763 L1767 W1768 S1769 L1825W1757-L1765 HydrophobicContact CE3-CD2 4.03Å; W1757-L1765 HydrophobicContact CZ3-CD2 4.41Å; W1757-L1765 WeakPolarHBondContact O-CD2 3.28Å; C1760-L1765 HydrophobicContact CB-CD2 4.19Å; R1762-L1765 WeakPolarHBondContact O-CB 3.26Å; R1762-L1765 VanDerWaalsContact O-CG 3.3Å; R1762-L1765 WeakPolarHBondContact O-CG 3.35Å; R1762-L1765 PolarHBondContact O-N 2.96Å; R1762-L1765 VanDerWaalsContact O-N 3.14Å; L1763-L1765 VanDerWaalsContact C-N 3.29Å; L1763-L1765 PolarHBondContact O-N 3.05Å; L1765-L1767 HydrophobicContact CB-CD2 4.24Å; L1765-L1767 HydrophobicContact CB-CG 4.14Å; L1765-L1767 HydrophobicContact CD1-CD2 4.14Å; L1765-L1767 HydrophobicContact CD1-CG 4.42Å; L1765-L1767 PolarHBondContact O-N 3.15Å; L1765-L1767 VanDerWaalsContact O-N 3.08Å; L1765-W1768 HydrophobicContact CB-CD2 4.4Å; L1765-W1768 HydrophobicContact CB-CE3 3.32Å; L1765-W1768 HydrophobicContact CB-CZ3 3.51Å; L1765-W1768 HydrophobicContact CD1-CE3 4.2Å; L1765-W1768 HydrophobicContact CD1-CH2 4.22Å; L1765-W1768 HydrophobicContact CD1-CZ3 3.52Å; L1765-W1768 HydrophobicContact CG-CE3 4.37Å; L1765-W1768 HydrophobicContact CG-CZ3 4.15Å; L1765-W1768 WeakPolarHBondContact O-CB 3.36Å; L1765-W1768 PolarHBondContact O-N 3.12Å; L1765-S1769 PolarHBondContact O-N 3.49Å; L1765-L1825 HydrophobicContact CD1-CD1 4.45Å; L1765-L1825 HydrophobicContact CD1-CD2 3.58Å; L1765-L1825 VanDerWaalsContact CD1-CD2 3.47Å
1766S79.3Confident77.7Confident31.2 Ų31.251.7 Ų51.722%0.21828%0.28CS..Hα-helixtrans-61.4-20.2-178.547.90000114.1D1764 W1768 S1769 Q1770 N1808 R1811D1764-S1766 PolarHBondContact O-N 2.85Å; S1766-W1768 VanDerWaalsContact C-N 3.31Å; S1766-W1768 PolarHBondContact O-N 2.85Å; S1766-S1769 WeakPolarHBondContact O-CB 3.22Å; S1766-S1769 PolarHBondContact O-N 3.44Å; S1766-S1769 PolarHBondContact O-OG 3.15Å; S1766-S1769 VanDerWaalsContact O-OG 3.1Å; S1766-Q1770 WeakPolarHBondContact O-CG 3.44Å; S1766-Q1770 PolarHBondContact O-N 2.85Å; S1766-Q1770 VanDerWaalsContact O-N 3.13Å; S1766-N1808 PolarHBondContact N-OD1 3.42Å; S1766-N1808 PolarHBondContact OG-ND2 3.14Å; S1766-N1808 VanDerWaalsContact OG-ND2 3.12Å; S1766-N1808 PolarHBondContact OG-O 2.83Å; S1766-N1808 PolarHBondContact OG-OD1 3.11Å; S1766-N1808 VanDerWaalsContact OG-OD1 3.12Å; S1766-R1811 PolarHBondContact O-NE 3.36Å; S1766-R1811 PolarHBondContact O-NH2 3.25Å; S1766-R1811 WeakPolarHBondContact OG-CD 3.46Å
1767L81.7Confident77Confident0.6 Ų0.658.2 Ų58.20%0.00331%0.308CS..Hα-helixtrans-69.3-29.1173.17992.5000112.9W1757 L1765 Q1770 I1771 W1804 L1805 N1808W1757-L1767 HydrophobicContact CZ3-CD2 4.32Å; L1765-L1767 HydrophobicContact CB-CD2 4.24Å; L1765-L1767 HydrophobicContact CB-CG 4.14Å; L1765-L1767 HydrophobicContact CD1-CD2 4.14Å; L1765-L1767 HydrophobicContact CD1-CG 4.42Å; L1765-L1767 PolarHBondContact O-N 3.15Å; L1765-L1767 VanDerWaalsContact O-N 3.08Å; L1767-Q1770 WeakPolarHBondContact O-CB 3.42Å; L1767-Q1770 PolarHBondContact O-N 2.99Å; L1767-I1771 HydrophobicContact CD1-CD1 4.19Å; L1767-I1771 WeakPolarHBondContact O-CG1 3.14Å; L1767-I1771 PolarHBondContact O-N 3.04Å; L1767-I1771 VanDerWaalsContact O-N 3.1Å; L1767-W1804 HydrophobicContact CB-CH2 4.15Å; L1767-W1804 HydrophobicContact CB-CZ2 3.95Å; L1767-W1804 HydrophobicContact CB-CZ3 4.35Å; L1767-W1804 HydrophobicContact CD1-CE3 4.34Å; L1767-W1804 HydrophobicContact CD1-CH2 3.33Å; L1767-W1804 HydrophobicContact CD1-CZ2 4.01Å; L1767-W1804 HydrophobicContact CD1-CZ3 3.54Å; L1767-W1804 HydrophobicContact CG-CH2 4.32Å; L1767-W1804 HydrophobicContact CG-CZ2 4.45Å; L1767-W1804 HydrophobicContact CG-CZ3 4.44Å; L1767-W1804 VanDerWaalsContact O-CH2 3.28Å; L1767-W1804 WeakPolarHBondContact O-CH2 3.36Å; L1767-W1804 VanDerWaalsContact O-CZ2 3.31Å; L1767-W1804 WeakPolarHBondContact O-CZ2 3.35Å; L1767-L1805 HydrophobicContact CD1-CD2 3.76Å; L1767-L1805 HydrophobicContact CD2-CD2 4.17Å; L1767-N1808 VanDerWaalsContact CB-C 3.48Å; L1767-N1808 WeakPolarHBondContact CD2-OD1 3.44Å
1768W83Confident76.1Confident20.4 Ų20.462.4 Ų62.48%0.07733%0.332CS..Hα-helixtrans-77.7-33.5174.2-61.6133000112.5R1762 L1765 S1766 Q1770 I1771 H1772 W1804 L1805 L1825 L1918 V2043R1762-W1768 HydrophobicContact CB-CZ2 4.44Å; R1762-W1768 HydrophobicContact CG-CH2 3.57Å; R1762-W1768 HydrophobicContact CG-CZ2 3.69Å; R1762-W1768 HydrophobicContact CG-CZ3 4.4Å; R1762-W1768 VanDerWaalsContact NH2-CH2 3.28Å; R1762-W1768 WeakPolarHBondContact O-CZ3 3.47Å; R1762-W1768 PolarHBondContact O-NE1 3.01Å; L1765-W1768 HydrophobicContact CB-CD2 4.4Å; L1765-W1768 HydrophobicContact CB-CE3 3.32Å; L1765-W1768 HydrophobicContact CB-CZ3 3.51Å; L1765-W1768 HydrophobicContact CD1-CE3 4.2Å; L1765-W1768 HydrophobicContact CD1-CH2 4.22Å; L1765-W1768 HydrophobicContact CD1-CZ3 3.52Å; L1765-W1768 HydrophobicContact CG-CE3 4.37Å; L1765-W1768 HydrophobicContact CG-CZ3 4.15Å; L1765-W1768 WeakPolarHBondContact O-CB 3.36Å; L1765-W1768 PolarHBondContact O-N 3.12Å; S1766-W1768 VanDerWaalsContact C-N 3.31Å; S1766-W1768 PolarHBondContact O-N 2.85Å; W1768-Q1770 VanDerWaalsContact C-N 3.35Å; W1768-Q1770 PolarHBondContact O-N 3.19Å; W1768-Q1770 VanDerWaalsContact O-N 3.15Å; W1768-I1771 HydrophobicContact CD2-CD1 4.26Å; W1768-I1771 HydrophobicContact CE3-CB 4.17Å; W1768-I1771 HydrophobicContact CE3-CD1 3.98Å; W1768-I1771 HydrophobicContact CE3-CG2 4.26Å; W1768-I1771 HydrophobicContact CH2-CD1 4.2Å; W1768-I1771 HydrophobicContact CZ3-CB 4.39Å; W1768-I1771 HydrophobicContact CZ3-CD1 4.14Å; W1768-I1771 HydrophobicContact CZ3-CG2 4.04Å; W1768-I1771 WeakPolarHBondContact O-CA 3.18Å; W1768-I1771 WeakPolarHBondContact O-CB 3.34Å; W1768-I1771 PolarHBondContact O-N 3.08Å; W1768-I1771 VanDerWaalsContact O-N 3.09Å; W1768-H1772 WeakPolarHBondContact O-CB 3.12Å; W1768-H1772 PolarHBondContact O-CD2 3.06Å; W1768-H1772 VanDerWaalsContact O-CD2 3.26Å; W1768-H1772 PolarHBondContact O-N 3.07Å; W1768-W1804 HydrophobicContact CE3-CH2 4.24Å; W1768-W1804 HydrophobicContact CE3-CZ3 4.39Å; W1768-W1804 HydrophobicContact CZ3-CH2 4.21Å; W1768-W1804 HydrophobicContact CZ3-CZ3 4.14Å; W1768-L1805 HydrophobicContact CH2-CD2 3.57Å; W1768-L1805 HydrophobicContact CZ2-CD2 4.39Å; W1768-L1805 HydrophobicContact CZ3-CD2 3.99Å; W1768-L1825 HydrophobicContact CH2-CD2 4.21Å; W1768-L1918 HydrophobicContact CE3-CD2 4.18Å; W1768-L1918 HydrophobicContact CH2-CD2 3.92Å; W1768-L1918 HydrophobicContact CH2-CG 4.29Å; W1768-L1918 HydrophobicContact CZ3-CD1 4.13Å; W1768-L1918 HydrophobicContact CZ3-CD2 3.36Å; W1768-L1918 VanDerWaalsContact CZ3-CD2 3.43Å; W1768-L1918 HydrophobicContact CZ3-CG 4.15Å; W1768-V2043 HydrophobicContact CB-CG2 4.15Å; W1768-V2043 HydrophobicContact CD2-CB 4.27Å; W1768-V2043 HydrophobicContact CD2-CG1 3.57Å; W1768-V2043 HydrophobicContact CD2-CG2 3.67Å; W1768-V2043 HydrophobicContact CE3-CB 4.08Å; W1768-V2043 HydrophobicContact CE3-CG1 3.62Å; W1768-V2043 VanDerWaalsContact CE3-CG1 3.49Å; W1768-V2043 HydrophobicContact CE3-CG2 3.23Å; W1768-V2043 HydrophobicContact CG-CG1 4.19Å; W1768-V2043 HydrophobicContact CG-CG2 4.07Å; W1768-V2043 HydrophobicContact CH2-CG1 3.96Å; W1768-V2043 HydrophobicContact CZ2-CG1 3.93Å; W1768-V2043 HydrophobicContact CZ3-CB 4.38Å; W1768-V2043 HydrophobicContact CZ3-CG1 3.82Å; W1768-V2043 HydrophobicContact CZ3-CG2 3.89Å
1769S79.3Confident75Confident52.8 Ų52.864.7 Ų64.737%0.36936%0.357SS..Hα-helixtrans-60.2-33.3173.268.10000111.7L1765 S1766 I1771 H1772 L1773 R1811L1765-S1769 PolarHBondContact O-N 3.49Å; S1766-S1769 WeakPolarHBondContact O-CB 3.22Å; S1766-S1769 PolarHBondContact O-N 3.44Å; S1766-S1769 PolarHBondContact O-OG 3.15Å; S1766-S1769 VanDerWaalsContact O-OG 3.1Å; S1769-I1771 VanDerWaalsContact C-N 3.35Å; S1769-I1771 PolarHBondContact O-N 2.97Å; S1769-H1772 PolarHBondContact O-N 2.95Å; S1769-L1773 VanDerWaalsContact O-CB 3.26Å; S1769-L1773 WeakPolarHBondContact O-CB 3.39Å; S1769-L1773 WeakPolarHBondContact O-CD1 3.34Å; S1769-L1773 VanDerWaalsContact O-CG 3.24Å; S1769-L1773 WeakPolarHBondContact O-CG 3.32Å; S1769-L1773 PolarHBondContact O-N 3.06Å; S1769-R1811 PolarHBondContact OG-NH2 2.71Å
1770Q82.7Confident74.1Confident43 Ų4366.7 Ų66.720%0.20137%0.374CS..Hα-helixtrans-61.4-42.5171.9-68.2173.9-4.200112.6S1766 L1767 W1768 L1773 A1774 L1783 W1804 G1809S1766-Q1770 WeakPolarHBondContact O-CG 3.44Å; S1766-Q1770 PolarHBondContact O-N 2.85Å; S1766-Q1770 VanDerWaalsContact O-N 3.13Å; L1767-Q1770 WeakPolarHBondContact O-CB 3.42Å; L1767-Q1770 PolarHBondContact O-N 2.99Å; W1768-Q1770 VanDerWaalsContact C-N 3.35Å; W1768-Q1770 PolarHBondContact O-N 3.19Å; W1768-Q1770 VanDerWaalsContact O-N 3.15Å; Q1770-L1773 PolarHBondContact O-N 3.17Å; Q1770-A1774 VanDerWaalsContact O-CB 3.31Å; Q1770-A1774 WeakPolarHBondContact O-CB 3.34Å; Q1770-A1774 PolarHBondContact O-N 3.21Å; Q1770-L1783 HydrophobicContact CB-CD1 3.97Å; Q1770-L1783 HydrophobicContact CB-CD2 4.44Å; Q1770-W1804 HydrophobicContact CB-CZ2 4.39Å; Q1770-G1809 PolarHBondContact NE2-O 3.07Å; Q1770-G1809 PolarHBondContact OE1-O 3Å
1771I81.1Confident73.5Confident5.6 Ų5.667.3 Ų67.33%0.02938%0.379CS..Hα-helixtrans-68.7-42.3176.3-66.3174.3000111.1L1767 W1768 S1769 L1773 A1774 N1775 L1783 W1804 L1918 V2040 V2043L1767-I1771 HydrophobicContact CD1-CD1 4.19Å; L1767-I1771 WeakPolarHBondContact O-CG1 3.14Å; L1767-I1771 PolarHBondContact O-N 3.04Å; L1767-I1771 VanDerWaalsContact O-N 3.1Å; W1768-I1771 HydrophobicContact CD2-CD1 4.26Å; W1768-I1771 HydrophobicContact CE3-CB 4.17Å; W1768-I1771 HydrophobicContact CE3-CD1 3.98Å; W1768-I1771 HydrophobicContact CE3-CG2 4.26Å; W1768-I1771 HydrophobicContact CH2-CD1 4.2Å; W1768-I1771 HydrophobicContact CZ3-CB 4.39Å; W1768-I1771 HydrophobicContact CZ3-CD1 4.14Å; W1768-I1771 HydrophobicContact CZ3-CG2 4.04Å; W1768-I1771 WeakPolarHBondContact O-CA 3.18Å; W1768-I1771 WeakPolarHBondContact O-CB 3.34Å; W1768-I1771 PolarHBondContact O-N 3.08Å; W1768-I1771 VanDerWaalsContact O-N 3.09Å; S1769-I1771 VanDerWaalsContact C-N 3.35Å; S1769-I1771 PolarHBondContact O-N 2.97Å; I1771-L1773 VanDerWaalsContact C-N 3.33Å; I1771-L1773 PolarHBondContact O-N 3.32Å; I1771-A1774 PolarHBondContact O-N 3.05Å; I1771-N1775 WeakPolarHBondContact O-CB 3.34Å; I1771-N1775 PolarHBondContact O-N 2.96Å; I1771-N1775 VanDerWaalsContact O-N 3.09Å; I1771-N1775 PolarHBondContact O-ND2 3.03Å; I1771-N1775 PolarHBondContact O-OD1 2.85Å; I1771-L1783 HydrophobicContact CD1-CD1 4.43Å; I1771-L1783 HydrophobicContact CG1-CB 4.28Å; I1771-L1783 HydrophobicContact CG1-CD1 3.83Å; I1771-L1783 VanDerWaalsContact CG1-CD1 3.49Å; I1771-L1783 HydrophobicContact CG1-CD2 4.2Å; I1771-L1783 HydrophobicContact CG1-CG 3.94Å; I1771-W1804 HydrophobicContact CD1-CH2 3.64Å; I1771-W1804 VanDerWaalsContact CD1-CH2 3.48Å; I1771-W1804 HydrophobicContact CD1-CZ2 4.43Å; I1771-W1804 HydrophobicContact CD1-CZ3 4.32Å; I1771-W1804 HydrophobicContact CG1-CH2 4.01Å; I1771-W1804 HydrophobicContact CG1-CZ2 4.42Å; I1771-L1918 HydrophobicContact CD1-CD2 4.1Å; I1771-V2040 HydrophobicContact CD1-CB 4.39Å; I1771-V2040 HydrophobicContact CD1-CG1 3.64Å; I1771-V2043 HydrophobicContact CD1-CG2 3.98Å; I1771-V2043 HydrophobicContact CG2-CG2 4.32Å
1772H77.7Confident73.5Confident124.6 Ų124.665.5 Ų65.558%0.57737%0.37SS*.Hα-helixtrans-63.3-39.9176.8-88.3-66.8000112W1768 S1769 N1775 S1776W1768-H1772 WeakPolarHBondContact O-CB 3.12Å; W1768-H1772 PolarHBondContact O-CD2 3.06Å; W1768-H1772 VanDerWaalsContact O-CD2 3.26Å; W1768-H1772 PolarHBondContact O-N 3.07Å; S1769-H1772 PolarHBondContact O-N 2.95Å; H1772-N1775 PolarHBondContact O-N 3.14Å; H1772-S1776 WeakPolarHBondContact O-CB 3.36Å; H1772-S1776 PolarHBondContact O-N 3.03Å; H1772-S1776 VanDerWaalsContact O-N 3.13Å; H1772-S1776 PolarHBondContact O-OG 3.3Å; H1772-S1776 VanDerWaalsContact O-OG 3.14Å
1773L76.9Confident73.8Confident92.4 Ų92.465.6 Ų65.648%0.48437%0.373SS..Hα-helixtrans-65.5-48174.3-73.2166.4000111.7S1769 Q1770 I1771 N1775 S1776 F1777S1769-L1773 VanDerWaalsContact O-CB 3.26Å; S1769-L1773 WeakPolarHBondContact O-CB 3.39Å; S1769-L1773 WeakPolarHBondContact O-CD1 3.34Å; S1769-L1773 VanDerWaalsContact O-CG 3.24Å; S1769-L1773 WeakPolarHBondContact O-CG 3.32Å; S1769-L1773 PolarHBondContact O-N 3.06Å; Q1770-L1773 PolarHBondContact O-N 3.17Å; I1771-L1773 VanDerWaalsContact C-N 3.33Å; I1771-L1773 PolarHBondContact O-N 3.32Å; L1773-N1775 VanDerWaalsContact C-N 3.28Å; L1773-N1775 PolarHBondContact O-N 3.19Å; L1773-S1776 WeakPolarHBondContact CA-OG 3.4Å; L1773-S1776 PolarHBondContact O-N 3.02Å; L1773-S1776 VanDerWaalsContact O-N 3.1Å; L1773-S1776 PolarHBondContact O-OG 3.09Å; L1773-F1777 HydrophobicContact CD2-CD2 4.46Å; L1773-F1777 HydrophobicContact CD2-CE2 4.32Å; L1773-F1777 VanDerWaalsContact O-CD2 3.26Å; L1773-F1777 WeakPolarHBondContact O-CD2 3.4Å; L1773-F1777 PolarHBondContact O-N 3.14Å; L1773-F1777 VanDerWaalsContact O-N 3.12Å
1774A73.3Confident74.4Confident23.2 Ų23.266.7 Ų66.719%0.19237%0.371CS..Hα-helixtrans-56.5-44.3177.400000112.1Q1770 I1771 S1776 F1777 N1778 L1783Q1770-A1774 VanDerWaalsContact O-CB 3.31Å; Q1770-A1774 WeakPolarHBondContact O-CB 3.34Å; Q1770-A1774 PolarHBondContact O-N 3.21Å; I1771-A1774 PolarHBondContact O-N 3.05Å; A1774-S1776 VanDerWaalsContact C-N 3.26Å; A1774-S1776 PolarHBondContact O-N 3.22Å; A1774-F1777 PolarHBondContact O-N 3.33Å; A1774-N1778 PolarHBondContact O-N 3.23Å; A1774-N1778 VanDerWaalsContact O-N 3.12Å; A1774-L1783 HydrophobicContact CB-CD2 3.92Å; A1774-L1783 HydrophobicContact CB-CG 4.19Å
1775N72.3Confident74.8Confident62.4 Ų62.462.3 Ų62.333%0.33435%0.347SS..Hα-helixtrans-70-24.6176.4-72.2-21.1000113.9I1771 H1772 L1773 N1778 S1779 Y2041I1771-N1775 WeakPolarHBondContact O-CB 3.34Å; I1771-N1775 PolarHBondContact O-N 2.96Å; I1771-N1775 VanDerWaalsContact O-N 3.09Å; I1771-N1775 PolarHBondContact O-ND2 3.03Å; I1771-N1775 PolarHBondContact O-OD1 2.85Å; H1772-N1775 PolarHBondContact O-N 3.14Å; L1773-N1775 VanDerWaalsContact C-N 3.28Å; L1773-N1775 PolarHBondContact O-N 3.19Å; N1775-N1778 CarbonylContact O-C 3.48Å; N1775-S1779 VanDerWaalsContact O-CA 3.29Å; N1775-S1779 WeakPolarHBondContact O-CA 3.33Å; N1775-S1779 PolarHBondContact O-N 2.92Å; N1775-Y2041 PolarHBondContact ND2-O 3.08Å
1776S65.8Low74.9Confident77.2 Ų77.264.3 Ų64.354%0.5436%0.36SS..Hα-helixtrans-80-33.1177.869.40000113H1772 L1773 A1774H1772-S1776 WeakPolarHBondContact O-CB 3.36Å; H1772-S1776 PolarHBondContact O-N 3.03Å; H1772-S1776 VanDerWaalsContact O-N 3.13Å; H1772-S1776 PolarHBondContact O-OG 3.3Å; H1772-S1776 VanDerWaalsContact O-OG 3.14Å; L1773-S1776 WeakPolarHBondContact CA-OG 3.4Å; L1773-S1776 PolarHBondContact O-N 3.02Å; L1773-S1776 VanDerWaalsContact O-N 3.1Å; L1773-S1776 PolarHBondContact O-OG 3.09Å; A1774-S1776 VanDerWaalsContact C-N 3.26Å; A1774-S1776 PolarHBondContact O-N 3.22Å
1777F61.9Low75Confident159 Ų15964.7 Ų64.770%0.69737%0.365SS*.Hα-helixtrans-83.2-23177.5-73.3-70.4000112.6L1773 A1774L1773-F1777 HydrophobicContact CD2-CD2 4.46Å; L1773-F1777 HydrophobicContact CD2-CE2 4.32Å; L1773-F1777 VanDerWaalsContact O-CD2 3.26Å; L1773-F1777 WeakPolarHBondContact O-CD2 3.4Å; L1773-F1777 PolarHBondContact O-N 3.14Å; L1773-F1777 VanDerWaalsContact O-N 3.12Å; A1774-F1777 PolarHBondContact O-N 3.33Å
1778N57.7Low74.8Confident105.6 Ų105.665.4 Ų65.457%0.56537%0.37SS*.  trans-149.9110.3174.7-76.7-53.8000111.4A1774 N1775 T1780 S1781A1774-N1778 PolarHBondContact O-N 3.23Å; A1774-N1778 VanDerWaalsContact O-N 3.12Å; N1775-N1778 CarbonylContact O-C 3.48Å; N1778-T1780 PolarHBondContact O-N 2.89Å; N1778-S1781 VanDerWaalsContact CB-OG 3.27Å; N1778-S1781 WeakPolarHBondContact CB-OG 3.39Å; N1778-S1781 PolarHBondContact O-N 3.22Å; N1778-S1781 VanDerWaalsContact O-N 3.13Å
1779S56.2Low74.3Confident110.6 Ų110.667.4 Ų67.477%0.77339%0.385SS*.THydrogen-bonded Turntrans-65.713.9-174.1-41.60000116N1775N1775-S1779 VanDerWaalsContact O-CA 3.29Å; N1775-S1779 WeakPolarHBondContact O-CA 3.33Å; N1775-S1779 PolarHBondContact O-N 2.92Å
1780T58.2Low73.8Confident112.4 Ų112.471 Ų7169%0.6941%0.407SS*.THydrogen-bonded Turntrans-140.20.7179-170000113.1N1778 Y2041N1778-T1780 PolarHBondContact O-N 2.89Å; T1780-Y2041 WeakPolarHBondContact O-CE1 3.48Å
1781S66.1Low72.6Confident60.2 Ų60.272.5 Ų72.542%0.42143%0.434SS..THydrogen-bonded Turntrans-98.63-173.8-640000113.4N1778 N2039N1778-S1781 VanDerWaalsContact CB-OG 3.27Å; N1778-S1781 WeakPolarHBondContact CB-OG 3.39Å; N1778-S1781 PolarHBondContact O-N 3.22Å; N1778-S1781 VanDerWaalsContact O-N 3.13Å; S1781-N2039 PolarHBondContact O-ND2 3.05Å; S1781-N2039 PolarHBondContact O-OD1 2.98Å
1782G76.2Confident71.4Confident21.4 Ų21.477.1 Ų77.122%0.22146%0.459CS..  trans19.3-175.8-178.200000113.5Y1784 N2039 V2040G1782-Y1784 PolarHBondContact O-N 3.22Å; G1782-N2039 WeakPolarHBondContact CA-OD1 3.49Å; G1782-V2040 CarbonylContact C-O 3.51Å; G1782-V2040 VanDerWaalsContact CA-O 3.29Å; G1782-V2040 WeakPolarHBondContact CA-O 3.39Å
1783L84.9Confident70.1Confident46 Ų4674 Ų7424%0.24145%0.451CS..EExtended strand (participates in β ladder)trans-91118173.9-135.6100.9000110.1Q1770 I1771 A1774 F1785 W1804 N2039 V2040Q1770-L1783 HydrophobicContact CB-CD1 3.97Å; Q1770-L1783 HydrophobicContact CB-CD2 4.44Å; I1771-L1783 HydrophobicContact CD1-CD1 4.43Å; I1771-L1783 HydrophobicContact CG1-CB 4.28Å; I1771-L1783 HydrophobicContact CG1-CD1 3.83Å; I1771-L1783 VanDerWaalsContact CG1-CD1 3.49Å; I1771-L1783 HydrophobicContact CG1-CD2 4.2Å; I1771-L1783 HydrophobicContact CG1-CG 3.94Å; A1774-L1783 HydrophobicContact CB-CD2 3.92Å; A1774-L1783 HydrophobicContact CB-CG 4.19Å; L1783-F1785 HydrophobicContact CB-CE2 4.08Å; L1783-F1785 HydrophobicContact CB-CZ 3.96Å; L1783-F1785 HydrophobicContact CD1-CZ 4.49Å; L1783-F1785 HydrophobicContact CD2-CE2 3.9Å; L1783-F1785 HydrophobicContact CD2-CZ 3.57Å; L1783-F1785 HydrophobicContact CG-CE2 3.72Å; L1783-F1785 HydrophobicContact CG-CZ 3.78Å; L1783-F1785 WeakPolarHBondContact O-CD2 3.37Å; L1783-F1785 WeakPolarHBondContact O-CE2 3.23Å; L1783-W1804 HydrophobicContact CD1-CH2 3.9Å; L1783-W1804 HydrophobicContact CD1-CZ2 3.31Å; L1783-W1804 HydrophobicContact CD2-CH2 4.2Å; L1783-W1804 HydrophobicContact CD2-CZ2 3.48Å; L1783-W1804 VanDerWaalsContact CD2-CZ2 3.46Å; L1783-N2039 PolarHBondContact N-OD1 2.87Å; L1783-N2039 VanDerWaalsContact N-OD1 3.09Å; L1783-N2039 CarbonylContact O-C 3.55Å; L1783-N2039 WeakPolarHBondContact O-CA 3.37Å; L1783-N2039 PolarHBondContact O-OD1 2.89Å; L1783-N2039 VanDerWaalsContact O-OD1 3.09Å; L1783-V2040 PolarHBondContact N-O 3.12Å; L1783-V2040 PolarHBondContact O-N 3.09Å
1784Y87Confident69Low131.6 Ų131.670 Ų7052%0.51643%0.431SS..EExtended strand (participates in β ladder)trans-93.3131.1-178.7-179.7-109.5000112.4G1782 P1786 T1923 N2039G1782-Y1784 PolarHBondContact O-N 3.22Å; Y1784-P1786 HydrophobicContact CD1-CB 4.41Å; Y1784-P1786 HydrophobicContact CE1-CB 3.93Å; Y1784-P1786 HydrophobicContact CE1-CG 4.44Å; Y1784-T1923 HydrophobicContact CE2-CG2 4.26Å; Y1784-N2039 HydrophobicContact CD2-CB 4.23Å; Y1784-N2039 VanDerWaalsContact CD2-OD1 3.24Å; Y1784-N2039 WeakPolarHBondContact CD2-OD1 3.47Å
1785F87.5Confident67.9Low21 Ų2169.9 Ų69.99%0.09243%0.43CS..EExtended strand (participates in β ladder)trans-112.8107.9175.7-62.3-85.4000109.2L1783 G1799 I1801 W1804 Y2037 G2038 V2040L1783-F1785 HydrophobicContact CB-CE2 4.08Å; L1783-F1785 HydrophobicContact CB-CZ 3.96Å; L1783-F1785 HydrophobicContact CD1-CZ 4.49Å; L1783-F1785 HydrophobicContact CD2-CE2 3.9Å; L1783-F1785 HydrophobicContact CD2-CZ 3.57Å; L1783-F1785 HydrophobicContact CG-CE2 3.72Å; L1783-F1785 HydrophobicContact CG-CZ 3.78Å; L1783-F1785 WeakPolarHBondContact O-CD2 3.37Å; L1783-F1785 WeakPolarHBondContact O-CE2 3.23Å; F1785-G1799 WeakPolarHBondContact CD1-O 3.31Å; F1785-I1801 HydrophobicContact CB-CD1 4.36Å; F1785-I1801 HydrophobicContact CB-CG1 3.9Å; F1785-I1801 HydrophobicContact CD1-CG1 4.1Å; F1785-I1801 HydrophobicContact CD2-CD1 4.02Å; F1785-I1801 HydrophobicContact CD2-CG1 3.47Å; F1785-I1801 VanDerWaalsContact CD2-CG1 3.47Å; F1785-I1801 HydrophobicContact CE1-CG1 4.49Å; F1785-I1801 HydrophobicContact CE2-CG1 4.01Å; F1785-I1801 HydrophobicContact CG-CD1 4.34Å; F1785-I1801 HydrophobicContact CG-CG1 3.52Å; F1785-I1801 VanDerWaalsContact CG-CG1 3.42Å; F1785-I1801 HydrophobicContact CZ-CG1 4.42Å; F1785-W1804 HydrophobicContact CD1-CB 4.44Å; F1785-W1804 HydrophobicContact CE1-CB 3.56Å; F1785-W1804 AromaticContact CE1-CD1 3.71Å; F1785-W1804 AromaticContact CE1-CD2 3.84Å; F1785-W1804 HydrophobicContact CE1-CD2 3.84Å; F1785-W1804 HydrophobicContact CE1-CE3 4.41Å; F1785-W1804 AromaticContact CE1-CG 3.42Å; F1785-W1804 HydrophobicContact CE1-CG 3.42Å; F1785-W1804 VanDerWaalsContact CE1-CG 3.42Å; F1785-W1804 HydrophobicContact CZ-CB 4.13Å; F1785-W1804 AromaticContact CZ-CD1 3.94Å; F1785-W1804 AromaticContact CZ-CD2 3.47Å; F1785-W1804 HydrophobicContact CZ-CD2 3.47Å; F1785-W1804 VanDerWaalsContact CZ-CD2 3.47Å; F1785-W1804 AromaticContact CZ-CE2 3.82Å; F1785-W1804 AromaticContact CZ-CE3 3.8Å; F1785-W1804 HydrophobicContact CZ-CE3 3.8Å; F1785-W1804 AromaticContact CZ-CG 3.61Å; F1785-W1804 HydrophobicContact CZ-CG 3.61Å; F1785-W1804 HydrophobicContact CZ-CZ2 4.46Å; F1785-W1804 HydrophobicContact CZ-CZ3 4.43Å; F1785-Y2037 CarbonylContact O-C 3.59Å; F1785-Y2037 WeakPolarHBondContact O-CB 3.42Å; F1785-G2038 WeakPolarHBondContact CB-O 3.48Å; F1785-G2038 WeakPolarHBondContact CD2-O 3.25Å; F1785-G2038 PolarHBondContact N-O 3.01Å; F1785-G2038 PolarHBondContact O-N 3.18Å; F1785-V2040 HydrophobicContact CD2-CG2 3.95Å; F1785-V2040 HydrophobicContact CE2-CB 4.3Å; F1785-V2040 HydrophobicContact CE2-CG2 3.71Å
1786P85Confident66.8Low50 Ų5072.3 Ų72.333%0.32544%0.443SS..PPolyproline II helixtrans-68.5143.5178.924.1-30.3000111.9Y1784 Y1797 G1800 Y2037Y1784-P1786 HydrophobicContact CD1-CB 4.41Å; Y1784-P1786 HydrophobicContact CE1-CB 3.93Å; Y1784-P1786 HydrophobicContact CE1-CG 4.44Å; P1786-Y1797 WeakPolarHBondContact CG-OH 3.4Å; P1786-Y1797 WeakPolarHBondContact O-CE1 3.4Å; P1786-Y1797 PolarHBondContact O-OH 3.09Å; P1786-Y1797 VanDerWaalsContact O-OH 3.09Å; P1786-G1800 PolarHBondContact O-N 3.45Å; P1786-G1800 VanDerWaalsContact O-N 3.09Å; P1786-Y2037 VanDerWaalsContact O-CD1 3.27Å; P1786-Y2037 WeakPolarHBondContact O-CD1 3.43Å
1787A81.3Confident66.7Low37.8 Ų37.871.3 Ų71.331%0.31243%0.428SS..PPolyproline II helixtrans-73.9150.2172.900000111.2A1924 Y2037A1787-A1924 HydrophobicContact CB-CB 3.68Å; A1787-Y2037 HydrophobicContact CB-CD2 4.46Å; A1787-Y2037 HydrophobicContact CB-CG 4.27Å
1788P77.3Confident66.8Low16.4 Ų16.466.8 Ų66.811%0.10641%0.411CS..PPolyproline II helixtrans-59.8141.7175.423.5-34.2000112Y1797 T1977 Y2037P1788-Y1797 HydrophobicContact CB-CD1 3.73Å; P1788-Y1797 HydrophobicContact CB-CD2 4.21Å; P1788-Y1797 HydrophobicContact CB-CE1 4.21Å; P1788-Y1797 HydrophobicContact CB-CG 3.69Å; P1788-Y1797 HydrophobicContact CG-CD1 4.25Å; P1788-T1977 HydrophobicContact CG-CG2 3.85Å; P1788-Y2037 VanDerWaalsContact CD-CZ 3.49Å; P1788-Y2037 HydrophobicContact CG-CE2 4.48Å
1789P72.8Confident67.5Low63.2 Ų63.262.7 Ų62.741%0.4139%0.394SS..PPolyproline II helixtrans-60.2145.9174.9-15.222.4000112.5G1791 N1792 Y1797P1789-G1791 PolarHBondContact O-N 3.21Å; P1789-N1792 PolarHBondContact O-N 3.2Å; P1789-N1792 VanDerWaalsContact O-N 3.14Å; P1789-Y1797 VanDerWaalsContact CD-CG 3.47Å; P1789-Y1797 HydrophobicContact CG-CD2 4.04Å; P1789-Y1797 HydrophobicContact CG-CE2 4.46Å; P1789-Y1797 HydrophobicContact CG-CG 4.13Å
1790P67.2Low68.8Low127.2 Ų127.257.7 Ų57.783%0.82636%0.359SS*.THydrogen-bonded Turntrans-62138.2174.727.8-34.7000110.8N1792P1790-N1792 VanDerWaalsContact C-N 3.27Å; P1790-N1792 PolarHBondContact O-N 3.03Å
1791G58.9Low70.4Confident74 Ų7452.3 Ų52.376%0.76333%0.326SS*.THydrogen-bonded Turntrans108.2-40.3-175.200000113.9P1789P1789-G1791 PolarHBondContact O-N 3.21Å
1792N54.1Low71.5Confident102 Ų10249.6 Ų49.655%0.54531%0.307SS..SBendtrans-84.6120.4175.1-60.80000111.3P1789 P1790 S1794P1789-N1792 PolarHBondContact O-N 3.2Å; P1789-N1792 VanDerWaalsContact O-N 3.14Å; P1790-N1792 VanDerWaalsContact C-N 3.27Å; P1790-N1792 PolarHBondContact O-N 3.03Å; N1792-S1794 PolarHBondContact O-N 2.88Å
1793S51.7Low71.8Confident60.2 Ų60.248.8 Ų48.842%0.42130%0.298SS..  trans-74.5142.4170169.30000110A1795 D1796 Y1797 R1975S1793-A1795 PolarHBondContact O-N 3.16Å; S1793-A1795 WeakPolarHBondContact OG-CA 3.49Å; S1793-A1795 WeakPolarHBondContact OG-CB 3.32Å; S1793-A1795 PolarHBondContact OG-N 3.22Å; S1793-A1795 VanDerWaalsContact OG-N 3.08Å; S1793-D1796 WeakPolarHBondContact CB-OD2 3.42Å; S1793-D1796 PolarHBondContact O-N 3.14Å; S1793-D1796 VanDerWaalsContact O-N 3.11Å; S1793-D1796 PolarHBondContact OG-N 3.22Å; S1793-D1796 PolarHBondContact OG-OD2 3.22Å; S1793-Y1797 PolarHBondContact O-N 3.15Å; S1793-R1975 WeakPolarHBondContact OG-CD 3.2Å
1794S52.3Low72Confident8.8 Ų8.847 Ų476%0.06229%0.288CS..THydrogen-bonded Turntrans-82.69.6176.658.50000113.7N1792 D1796 Y1797 Q1847 T1926 R1975 T1977N1792-S1794 PolarHBondContact O-N 2.88Å; S1794-D1796 PolarHBondContact O-N 3.34Å; S1794-Y1797 PolarHBondContact O-N 2.98Å; S1794-Q1847 PolarHBondContact O-NE2 3.11Å; S1794-Q1847 PolarHBondContact O-OE1 3.15Å; S1794-Q1847 PolarHBondContact OG-OE1 3.29Å; S1794-T1926 VanDerWaalsContact OG-CG2 3.24Å; S1794-T1926 WeakPolarHBondContact OG-CG2 3.37Å; S1794-R1975 WeakPolarHBondContact O-CD 3.43Å; S1794-R1975 PolarHBondContact O-NE 2.75Å; S1794-R1975 PolarHBondContact O-NH1 3.21Å; S1794-R1975 WeakPolarHBondContact OG-CB 3.49Å; S1794-R1975 WeakPolarHBondContact OG-CD 3.49Å; S1794-R1975 WeakPolarHBondContact OG-CG 3.49Å; S1794-R1975 PolarHBondContact OG-NE 2.85Å; S1794-R1975 VanDerWaalsContact OG-NE 3.11Å; S1794-T1977 PolarHBondContact OG-OG1 2.89Å
1795A50.3Low72Confident21.8 Ų21.840.7 Ų40.718%0.1826%0.263CS..THydrogen-bonded Turntrans-73.3-37.9168.500000112.2S1793 A1848 G1849 A1850 R1858S1793-A1795 PolarHBondContact O-N 3.16Å; S1793-A1795 WeakPolarHBondContact OG-CA 3.49Å; S1793-A1795 WeakPolarHBondContact OG-CB 3.32Å; S1793-A1795 PolarHBondContact OG-N 3.22Å; S1793-A1795 VanDerWaalsContact OG-N 3.08Å; A1795-A1848 WeakPolarHBondContact CA-O 3.48Å; A1795-A1848 WeakPolarHBondContact CB-O 3.28Å; A1795-G1849 WeakPolarHBondContact O-CA 3.5Å; A1795-A1850 WeakPolarHBondContact O-CA 3.4Å; A1795-A1850 PolarHBondContact O-N 3.26Å; A1795-R1858 VanDerWaalsContact O-CZ 3.29Å; A1795-R1858 PolarHBondContact O-NH1 3.49Å; A1795-R1858 PolarHBondContact O-NH2 3.42Å; A1795-R1858 VanDerWaalsContact O-NH2 3.15Å
1796D51.1Low71.9Confident112.4 Ų112.439.7 Ų39.760%0.60126%0.259SS*.THydrogen-bonded Turntrans-103.9-13.2-168.1-46.3-62.9000113.2S1793 S1794 L1798 A1850S1793-D1796 WeakPolarHBondContact CB-OD2 3.42Å; S1793-D1796 PolarHBondContact O-N 3.14Å; S1793-D1796 VanDerWaalsContact O-N 3.11Å; S1793-D1796 PolarHBondContact OG-N 3.22Å; S1793-D1796 PolarHBondContact OG-OD2 3.22Å; S1794-D1796 PolarHBondContact O-N 3.34Å; D1796-L1798 PolarHBondContact O-N 3.21Å; D1796-A1850 HydrophobicContact CB-CB 4.41Å
1797Y62.5Low71.8Confident55.2 Ų55.237.7 Ų37.722%0.21625%0.245CC..  trans-96.6105.9179.5-165.5-96000112.1P1786 P1788 P1789 S1793 S1794 Q1847 Y2037P1786-Y1797 WeakPolarHBondContact CG-OH 3.4Å; P1786-Y1797 WeakPolarHBondContact O-CE1 3.4Å; P1786-Y1797 PolarHBondContact O-OH 3.09Å; P1786-Y1797 VanDerWaalsContact O-OH 3.09Å; P1788-Y1797 HydrophobicContact CB-CD1 3.73Å; P1788-Y1797 HydrophobicContact CB-CD2 4.21Å; P1788-Y1797 HydrophobicContact CB-CE1 4.21Å; P1788-Y1797 HydrophobicContact CB-CG 3.69Å; P1788-Y1797 HydrophobicContact CG-CD1 4.25Å; P1789-Y1797 VanDerWaalsContact CD-CG 3.47Å; P1789-Y1797 HydrophobicContact CG-CD2 4.04Å; P1789-Y1797 HydrophobicContact CG-CE2 4.46Å; P1789-Y1797 HydrophobicContact CG-CG 4.13Å; S1793-Y1797 PolarHBondContact O-N 3.15Å; S1794-Y1797 PolarHBondContact O-N 2.98Å; Y1797-Q1847 PolarHBondContact O-NE2 3.41Å; Y1797-Y2037 HydrophobicContact CD1-CE1 4.13Å; Y1797-Y2037 HydrophobicContact CE1-CD1 4.36Å; Y1797-Y2037 AromaticContact CE1-CE1 3.77Å; Y1797-Y2037 HydrophobicContact CE1-CE1 3.88Å
1798L64.7Low72Confident64.6 Ų64.636.4 Ų36.434%0.33823%0.233SC..  trans-101.4121.8170.4-130.597.6000109.3D1796 D1803 L1814 A1850D1796-L1798 PolarHBondContact O-N 3.21Å; L1798-D1803 WeakPolarHBondContact CA-OD2 3.44Å; L1798-D1803 WeakPolarHBondContact CD1-OD2 3.11Å; L1798-D1803 HydrophobicContact CD2-CB 4.13Å; L1798-D1803 HydrophobicContact CG-CB 4.22Å; L1798-D1803 WeakPolarHBondContact CG-OD2 3.34Å; L1798-L1814 HydrophobicContact CD1-CD1 3.78Å; L1798-L1814 HydrophobicContact CD1-CD2 4.21Å; L1798-L1814 HydrophobicContact CD2-CD1 3.54Å; L1798-L1814 VanDerWaalsContact CD2-CD1 3.48Å; L1798-L1814 HydrophobicContact CD2-CD2 3.82Å; L1798-L1814 HydrophobicContact CD2-CG 4.2Å; L1798-L1814 HydrophobicContact CG-CD1 4.26Å; L1798-L1814 HydrophobicContact CG-CD2 4.47Å; L1798-A1850 HydrophobicContact CD1-CB 3.81Å
1799G72.2Confident72.2Confident20 Ų2035.7 Ų35.721%0.20623%0.229CC..  trans167.427.4-174.900000114.9F1785 D1803F1785-G1799 WeakPolarHBondContact CD1-O 3.31Å; G1799-D1803 PolarHBondContact N-OD2 3.31Å
1800G83.8Confident72.7Confident5 Ų537.8 Ų37.85%0.05224%0.237CC..SBendtrans-77.8174.1173.400000113.5P1786 I1802 D1803 W1804 E2035 Y2037P1786-G1800 PolarHBondContact O-N 3.45Å; P1786-G1800 VanDerWaalsContact O-N 3.09Å; G1800-I1802 VanDerWaalsContact C-N 3.33Å; G1800-I1802 PolarHBondContact O-N 3.17Å; G1800-D1803 WeakPolarHBondContact O-CB 3.26Å; G1800-D1803 PolarHBondContact O-N 3.08Å; G1800-W1804 WeakPolarHBondContact O-CB 3.26Å; G1800-W1804 PolarHBondContact O-N 3.25Å; G1800-W1804 VanDerWaalsContact O-N 3.09Å; G1800-E2035 VanDerWaalsContact C-OE2 3.27Å; G1800-E2035 VanDerWaalsContact CA-CD 3.43Å; G1800-E2035 WeakPolarHBondContact CA-OE2 3.26Å; G1800-Y2037 VanDerWaalsContact CA-CE1 3.49Å
1801I90.9Very high73.3Confident0 Ų037.5 Ų37.50%022%0.22CC..Hα-helixtrans-70.7-33.5-172.3-65.1167.1000112.1F1785 W1804 L1805 L1918 L1920 E2035 F2036 V2040F1785-I1801 HydrophobicContact CB-CD1 4.36Å; F1785-I1801 HydrophobicContact CB-CG1 3.9Å; F1785-I1801 HydrophobicContact CD1-CG1 4.1Å; F1785-I1801 HydrophobicContact CD2-CD1 4.02Å; F1785-I1801 HydrophobicContact CD2-CG1 3.47Å; F1785-I1801 VanDerWaalsContact CD2-CG1 3.47Å; F1785-I1801 HydrophobicContact CE1-CG1 4.49Å; F1785-I1801 HydrophobicContact CE2-CG1 4.01Å; F1785-I1801 HydrophobicContact CG-CD1 4.34Å; F1785-I1801 HydrophobicContact CG-CG1 3.52Å; F1785-I1801 VanDerWaalsContact CG-CG1 3.42Å; F1785-I1801 HydrophobicContact CZ-CG1 4.42Å; I1801-W1804 PolarHBondContact O-N 3.37Å; I1801-L1805 HydrophobicContact CG2-CD1 4.29Å; I1801-L1805 WeakPolarHBondContact O-CB 3.36Å; I1801-L1805 VanDerWaalsContact O-CG 3.28Å; I1801-L1805 WeakPolarHBondContact O-CG 3.32Å; I1801-L1805 PolarHBondContact O-N 3.19Å; I1801-L1918 HydrophobicContact CG2-CD1 3.64Å; I1801-L1918 VanDerWaalsContact CG2-CD1 3.45Å; I1801-L1920 HydrophobicContact CD1-CD1 3.39Å; I1801-L1920 VanDerWaalsContact CD1-CD1 3.4Å; I1801-L1920 HydrophobicContact CD1-CD2 3.59Å; I1801-L1920 HydrophobicContact CD1-CG 4.09Å; I1801-E2035 PolarHBondContact N-OE1 3.24Å; I1801-E2035 VanDerWaalsContact N-OE1 3.09Å; I1801-E2035 PolarHBondContact N-OE2 3.07Å; I1801-F2036 HydrophobicContact CD1-CB 4.26Å; I1801-F2036 WeakPolarHBondContact CG1-O 3.27Å; I1801-F2036 HydrophobicContact CG2-CB 3.82Å; I1801-F2036 PolarHBondContact N-O 3.26Å; I1801-V2040 HydrophobicContact CD1-CG2 3.84Å; I1801-V2040 HydrophobicContact CG1-CG2 4.28Å; I1801-V2040 HydrophobicContact CG2-CG2 4.44Å
1802I89.2Confident74Confident2.4 Ų2.437.9 Ų37.91%0.01220%0.198CC..Hα-helixtrans-74.3-37.1177.5-72141.4000110.6G1800 W1804 L1805 A1806 P1820 I1826 L1844 L1916 L2034 E2035 F2036G1800-I1802 VanDerWaalsContact C-N 3.33Å; G1800-I1802 PolarHBondContact O-N 3.17Å; I1802-W1804 VanDerWaalsContact C-N 3.34Å; I1802-W1804 PolarHBondContact O-N 2.98Å; I1802-L1805 PolarHBondContact O-N 3.03Å; I1802-A1806 VanDerWaalsContact O-CB 3.24Å; I1802-A1806 WeakPolarHBondContact O-CB 3.31Å; I1802-A1806 PolarHBondContact O-N 3.33Å; I1802-P1820 HydrophobicContact CG2-CG 4.01Å; I1802-I1826 HydrophobicContact CG1-CD1 3.89Å; I1802-L1844 HydrophobicContact CD1-CD2 3.66Å; I1802-L1844 HydrophobicContact CG1-CD1 4.36Å; I1802-L1844 HydrophobicContact CG1-CD2 4.21Å; I1802-L1844 HydrophobicContact CG2-CB 4.34Å; I1802-L1844 HydrophobicContact CG2-CD1 4.33Å; I1802-L1844 HydrophobicContact CG2-CD2 4.21Å; I1802-L1844 HydrophobicContact CG2-CG 4.49Å; I1802-L1916 HydrophobicContact CG1-CD2 4.49Å; I1802-L2034 HydrophobicContact CD1-CG 4.42Å; I1802-E2035 WeakPolarHBondContact CB-OE1 3.28Å; I1802-E2035 WeakPolarHBondContact CB-OE2 3.35Å; I1802-E2035 WeakPolarHBondContact CD1-OE1 3.28Å; I1802-E2035 PolarHBondContact N-OE1 3.1Å; I1802-E2035 PolarHBondContact N-OE2 3.08Å; I1802-F2036 HydrophobicContact CD1-CD2 4.02Å
1803D83.4Confident74.7Confident6 Ų636.3 Ų36.33%0.03219%0.193CC..Hα-helixtrans-62-41.7169.7-80.6-28.5000112.5L1798 G1799 G1800 L1805 A1806 T1807 W1817 Q1847 R1858 E2035L1798-D1803 WeakPolarHBondContact CA-OD2 3.44Å; L1798-D1803 WeakPolarHBondContact CD1-OD2 3.11Å; L1798-D1803 HydrophobicContact CD2-CB 4.13Å; L1798-D1803 HydrophobicContact CG-CB 4.22Å; L1798-D1803 WeakPolarHBondContact CG-OD2 3.34Å; G1799-D1803 PolarHBondContact N-OD2 3.31Å; G1800-D1803 WeakPolarHBondContact O-CB 3.26Å; G1800-D1803 PolarHBondContact O-N 3.08Å; D1803-L1805 VanDerWaalsContact C-N 3.32Å; D1803-L1805 PolarHBondContact O-N 3.09Å; D1803-A1806 PolarHBondContact O-N 2.93Å; D1803-A1806 VanDerWaalsContact O-N 3.14Å; D1803-T1807 WeakPolarHBondContact O-CB 3.4Å; D1803-T1807 WeakPolarHBondContact O-CG2 3.42Å; D1803-T1807 PolarHBondContact O-N 3.13Å; D1803-T1807 VanDerWaalsContact O-N 3.17Å; D1803-T1807 PolarHBondContact O-OG1 3.05Å; D1803-W1817 PolarHBondContact OD1-NE1 3.16Å; D1803-Q1847 PolarHBondContact OD2-NE2 3.34Å; D1803-R1858 WeakPolarHBondContact OD1-CD 3.43Å; D1803-R1858 IonicContact OD1-CZ 3.13Å; D1803-R1858 IonicContact OD1-NE 2.95Å; D1803-R1858 PolarHBondContact OD1-NE 3.33Å; D1803-R1858 IonicContact OD1-NH1 3.16Å; D1803-R1858 IonicContact OD1-NH2 3.6Å; D1803-R1858 PolarHBondContact OD1-NH2 2.93Å; D1803-R1858 IonicContact OD2-CZ 2.79Å; D1803-R1858 VanDerWaalsContact OD2-CZ 3.31Å; D1803-R1858 IonicContact OD2-NE 2.71Å; D1803-R1858 IonicContact OD2-NH1 3.57Å; D1803-R1858 PolarHBondContact OD2-NH1 3.36Å; D1803-R1858 IonicContact OD2-NH2 3.59Å; D1803-R1858 PolarHBondContact OD2-NH2 2.87Å; D1803-E2035 PolarHBondContact N-OE2 3.24Å
1804W87.8Confident75.4Confident6.6 Ų6.636 Ų363%0.02519%0.186CC..Hα-helixtrans-65.3-41.9175.8175.984.4000112.2L1767 W1768 Q1770 I1771 L1783 F1785 G1800 I1801 I1802 A1806 T1807 G1809 L1918L1767-W1804 HydrophobicContact CB-CH2 4.15Å; L1767-W1804 HydrophobicContact CB-CZ2 3.95Å; L1767-W1804 HydrophobicContact CB-CZ3 4.35Å; L1767-W1804 HydrophobicContact CD1-CE3 4.34Å; L1767-W1804 HydrophobicContact CD1-CH2 3.33Å; L1767-W1804 HydrophobicContact CD1-CZ2 4.01Å; L1767-W1804 HydrophobicContact CD1-CZ3 3.54Å; L1767-W1804 HydrophobicContact CG-CH2 4.32Å; L1767-W1804 HydrophobicContact CG-CZ2 4.45Å; L1767-W1804 HydrophobicContact CG-CZ3 4.44Å; L1767-W1804 VanDerWaalsContact O-CH2 3.28Å; L1767-W1804 WeakPolarHBondContact O-CH2 3.36Å; L1767-W1804 VanDerWaalsContact O-CZ2 3.31Å; L1767-W1804 WeakPolarHBondContact O-CZ2 3.35Å; W1768-W1804 HydrophobicContact CE3-CH2 4.24Å; W1768-W1804 HydrophobicContact CE3-CZ3 4.39Å; W1768-W1804 HydrophobicContact CZ3-CH2 4.21Å; W1768-W1804 HydrophobicContact CZ3-CZ3 4.14Å; Q1770-W1804 HydrophobicContact CB-CZ2 4.39Å; I1771-W1804 HydrophobicContact CD1-CH2 3.64Å; I1771-W1804 VanDerWaalsContact CD1-CH2 3.48Å; I1771-W1804 HydrophobicContact CD1-CZ2 4.43Å; I1771-W1804 HydrophobicContact CD1-CZ3 4.32Å; I1771-W1804 HydrophobicContact CG1-CH2 4.01Å; I1771-W1804 HydrophobicContact CG1-CZ2 4.42Å; L1783-W1804 HydrophobicContact CD1-CH2 3.9Å; L1783-W1804 HydrophobicContact CD1-CZ2 3.31Å; L1783-W1804 HydrophobicContact CD2-CH2 4.2Å; L1783-W1804 HydrophobicContact CD2-CZ2 3.48Å; L1783-W1804 VanDerWaalsContact CD2-CZ2 3.46Å; F1785-W1804 HydrophobicContact CD1-CB 4.44Å; F1785-W1804 HydrophobicContact CE1-CB 3.56Å; F1785-W1804 AromaticContact CE1-CD1 3.71Å; F1785-W1804 AromaticContact CE1-CD2 3.84Å; F1785-W1804 HydrophobicContact CE1-CD2 3.84Å; F1785-W1804 HydrophobicContact CE1-CE3 4.41Å; F1785-W1804 AromaticContact CE1-CG 3.42Å; F1785-W1804 HydrophobicContact CE1-CG 3.42Å; F1785-W1804 VanDerWaalsContact CE1-CG 3.42Å; F1785-W1804 HydrophobicContact CZ-CB 4.13Å; F1785-W1804 AromaticContact CZ-CD1 3.94Å; F1785-W1804 AromaticContact CZ-CD2 3.47Å; F1785-W1804 HydrophobicContact CZ-CD2 3.47Å; F1785-W1804 VanDerWaalsContact CZ-CD2 3.47Å; F1785-W1804 AromaticContact CZ-CE2 3.82Å; F1785-W1804 AromaticContact CZ-CE3 3.8Å; F1785-W1804 HydrophobicContact CZ-CE3 3.8Å; F1785-W1804 AromaticContact CZ-CG 3.61Å; F1785-W1804 HydrophobicContact CZ-CG 3.61Å; F1785-W1804 HydrophobicContact CZ-CZ2 4.46Å; F1785-W1804 HydrophobicContact CZ-CZ3 4.43Å; G1800-W1804 WeakPolarHBondContact O-CB 3.26Å; G1800-W1804 PolarHBondContact O-N 3.25Å; G1800-W1804 VanDerWaalsContact O-N 3.09Å; I1801-W1804 PolarHBondContact O-N 3.37Å; I1802-W1804 VanDerWaalsContact C-N 3.34Å; I1802-W1804 PolarHBondContact O-N 2.98Å; W1804-A1806 VanDerWaalsContact C-N 3.35Å; W1804-A1806 PolarHBondContact O-N 3Å; W1804-T1807 PolarHBondContact O-N 3.05Å; W1804-T1807 PolarHBondContact O-OG1 3.25Å; W1804-T1807 VanDerWaalsContact O-OG1 3.14Å; W1804-G1809 VanDerWaalsContact CD1-CA 3.48Å; W1804-G1809 VanDerWaalsContact NE1-CA 3.29Å; W1804-G1809 WeakPolarHBondContact O-CA 3.26Å; W1804-G1809 PolarHBondContact O-N 3.03Å; W1804-L1918 HydrophobicContact CZ3-CD1 4.3Å; W1804-L1918 HydrophobicContact CZ3-CD2 4.43Å
1805L88.6Confident75.8Confident0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-65.2-37.7173.1-75.4171.6000112.6W1757 L1767 W1768 I1801 I1802 D1803 T1807 P1820 I1826 L1918W1757-L1805 WeakPolarHBondContact CH2-O 3.26Å; L1767-L1805 HydrophobicContact CD1-CD2 3.76Å; L1767-L1805 HydrophobicContact CD2-CD2 4.17Å; W1768-L1805 HydrophobicContact CH2-CD2 3.57Å; W1768-L1805 HydrophobicContact CZ2-CD2 4.39Å; W1768-L1805 HydrophobicContact CZ3-CD2 3.99Å; I1801-L1805 HydrophobicContact CG2-CD1 4.29Å; I1801-L1805 WeakPolarHBondContact O-CB 3.36Å; I1801-L1805 VanDerWaalsContact O-CG 3.28Å; I1801-L1805 WeakPolarHBondContact O-CG 3.32Å; I1801-L1805 PolarHBondContact O-N 3.19Å; I1802-L1805 PolarHBondContact O-N 3.03Å; D1803-L1805 VanDerWaalsContact C-N 3.32Å; D1803-L1805 PolarHBondContact O-N 3.09Å; L1805-T1807 VanDerWaalsContact C-N 3.26Å; L1805-T1807 PolarHBondContact O-N 3.08Å; L1805-P1820 HydrophobicContact CB-CB 4.15Å; L1805-P1820 HydrophobicContact CB-CG 4.37Å; L1805-I1826 HydrophobicContact CD1-CD1 3.61Å; L1805-I1826 HydrophobicContact CD1-CG1 3.89Å; L1805-L1918 HydrophobicContact CD1-CD1 3.97Å; L1805-L1918 HydrophobicContact CD1-CG 4.41Å; L1805-L1918 HydrophobicContact CD2-CD1 4.3Å; L1805-L1918 HydrophobicContact CG-CD1 4.19Å
1806A84.8Confident76.6Confident0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-70.4-18-179.300000114.4W1757 I1802 D1803 W1804 W1817 I1818 P1820W1757-A1806 WeakPolarHBondContact CZ2-O 3.43Å; I1802-A1806 VanDerWaalsContact O-CB 3.24Å; I1802-A1806 WeakPolarHBondContact O-CB 3.31Å; I1802-A1806 PolarHBondContact O-N 3.33Å; D1803-A1806 PolarHBondContact O-N 2.93Å; D1803-A1806 VanDerWaalsContact O-N 3.14Å; W1804-A1806 VanDerWaalsContact C-N 3.35Å; W1804-A1806 PolarHBondContact O-N 3Å; A1806-W1817 VanDerWaalsContact CB-CD1 3.5Å; A1806-W1817 HydrophobicContact CB-CD2 3.7Å; A1806-W1817 VanDerWaalsContact CB-CE2 3.4Å; A1806-W1817 HydrophobicContact CB-CE3 4.4Å; A1806-W1817 HydrophobicContact CB-CG 3.81Å; A1806-W1817 HydrophobicContact CB-CH2 4.4Å; A1806-W1817 HydrophobicContact CB-CZ2 3.85Å; A1806-W1817 VanDerWaalsContact CB-NE1 3.32Å; A1806-W1817 WeakPolarHBondContact O-CA 3.48Å; A1806-I1818 VanDerWaalsContact CA-O 3.29Å; A1806-I1818 WeakPolarHBondContact CA-O 3.35Å; A1806-I1818 VanDerWaalsContact CB-O 3.27Å; A1806-I1818 WeakPolarHBondContact CB-O 3.31Å; A1806-I1818 PolarHBondContact O-N 3.05Å; A1806-I1818 VanDerWaalsContact O-N 3.07Å; A1806-P1820 HydrophobicContact CB-CG 4.49Å
1807T81.9Confident77.8Confident7.4 Ų7.436.8 Ų36.85%0.04518%0.182CC..THydrogen-bonded Turntrans-113.216.6-175.554.90000113.1D1803 W1804 L1805 G1809 N1810 R1811 R1812 L1814 W1817D1803-T1807 WeakPolarHBondContact O-CB 3.4Å; D1803-T1807 WeakPolarHBondContact O-CG2 3.42Å; D1803-T1807 PolarHBondContact O-N 3.13Å; D1803-T1807 VanDerWaalsContact O-N 3.17Å; D1803-T1807 PolarHBondContact O-OG1 3.05Å; W1804-T1807 PolarHBondContact O-N 3.05Å; W1804-T1807 PolarHBondContact O-OG1 3.25Å; W1804-T1807 VanDerWaalsContact O-OG1 3.14Å; L1805-T1807 VanDerWaalsContact C-N 3.26Å; L1805-T1807 PolarHBondContact O-N 3.08Å; T1807-G1809 VanDerWaalsContact C-N 3.29Å; T1807-G1809 PolarHBondContact O-N 3.07Å; T1807-N1810 PolarHBondContact O-N 3.3Å; T1807-N1810 WeakPolarHBondContact OG1-CA 3.37Å; T1807-N1810 PolarHBondContact OG1-N 3.28Å; T1807-N1810 VanDerWaalsContact OG1-N 3.11Å; T1807-N1810 PolarHBondContact OG1-OD1 3.34Å; T1807-R1811 PolarHBondContact O-N 2.9Å; T1807-R1811 VanDerWaalsContact O-N 3.11Å; T1807-R1812 WeakPolarHBondContact O-CB 3.37Å; T1807-R1812 PolarHBondContact O-N 3.09Å; T1807-L1814 HydrophobicContact CG2-CD1 4.5Å; T1807-W1817 HydrophobicContact CG2-CB 4.27Å; T1807-W1817 HydrophobicContact CG2-CG 4.43Å
1808N85.6Confident78.5Confident10.8 Ų10.835.9 Ų35.96%0.05818%0.18CC..THydrogen-bonded Turntrans53.243.4-174.7-167.329.2000113.2W1757 S1766 L1767 R1811 R1812W1757-N1808 HydrophobicContact CD2-CB 3.78Å; W1757-N1808 HydrophobicContact CE3-CB 3.53Å; W1757-N1808 VanDerWaalsContact CE3-CB 3.49Å; W1757-N1808 HydrophobicContact CG-CB 4.47Å; W1757-N1808 HydrophobicContact CH2-CB 4.02Å; W1757-N1808 HydrophobicContact CZ2-CB 4.24Å; W1757-N1808 HydrophobicContact CZ3-CB 3.66Å; S1766-N1808 PolarHBondContact N-OD1 3.42Å; S1766-N1808 PolarHBondContact OG-ND2 3.14Å; S1766-N1808 VanDerWaalsContact OG-ND2 3.12Å; S1766-N1808 PolarHBondContact OG-O 2.83Å; S1766-N1808 PolarHBondContact OG-OD1 3.11Å; S1766-N1808 VanDerWaalsContact OG-OD1 3.12Å; L1767-N1808 VanDerWaalsContact CB-C 3.48Å; L1767-N1808 WeakPolarHBondContact CD2-OD1 3.44Å; N1808-R1811 WeakPolarHBondContact O-CB 3.42Å; N1808-R1811 WeakPolarHBondContact O-CG 3.37Å; N1808-R1811 PolarHBondContact O-N 3.19Å; N1808-R1812 HydrophobicContact CB-CG 4.24Å
1809G83.4Confident79.4Confident1.4 Ų1.433.4 Ų33.41%0.01417%0.167CC..THydrogen-bonded Turntrans76.744.6-178.200000113.2Q1770 W1804 T1807 R1811Q1770-G1809 PolarHBondContact NE2-O 3.07Å; Q1770-G1809 PolarHBondContact OE1-O 3Å; W1804-G1809 VanDerWaalsContact CD1-CA 3.48Å; W1804-G1809 VanDerWaalsContact NE1-CA 3.29Å; W1804-G1809 WeakPolarHBondContact O-CA 3.26Å; W1804-G1809 PolarHBondContact O-N 3.03Å; T1807-G1809 VanDerWaalsContact C-N 3.29Å; T1807-G1809 PolarHBondContact O-N 3.07Å; G1809-R1811 PolarHBondContact O-N 3.16Å; G1809-R1811 VanDerWaalsContact O-N 3.1Å
1810N81.5Confident80.1Confident108.6 Ų108.632.4 Ų32.458%0.58116%0.157SC*.THydrogen-bonded Turntrans57.816.4-173.2-54.8-14.2000114.5T1807T1807-N1810 PolarHBondContact O-N 3.3Å; T1807-N1810 WeakPolarHBondContact OG1-CA 3.37Å; T1807-N1810 PolarHBondContact OG1-N 3.28Å; T1807-N1810 VanDerWaalsContact OG1-N 3.11Å; T1807-N1810 PolarHBondContact OG1-OD1 3.34Å
1811R80.3Confident80.3Confident121.2 Ų121.232.9 Ų32.946%0.45716%0.161SC..THydrogen-bonded Turntrans-84.7-12.8176.3-64.9-95.5-159.1-1689.4113.5S1766 S1769 T1807 N1808 G1809 Q2319 D2320 D2660S1766-R1811 PolarHBondContact O-NE 3.36Å; S1766-R1811 PolarHBondContact O-NH2 3.25Å; S1766-R1811 WeakPolarHBondContact OG-CD 3.46Å; S1769-R1811 PolarHBondContact OG-NH2 2.71Å; T1807-R1811 PolarHBondContact O-N 2.9Å; T1807-R1811 VanDerWaalsContact O-N 3.11Å; N1808-R1811 WeakPolarHBondContact O-CB 3.42Å; N1808-R1811 WeakPolarHBondContact O-CG 3.37Å; N1808-R1811 PolarHBondContact O-N 3.19Å; G1809-R1811 PolarHBondContact O-N 3.16Å; G1809-R1811 VanDerWaalsContact O-N 3.1Å; R1811-Q2319 VanDerWaalsContact CZ-O 3.26Å; R1811-Q2319 PolarHBondContact NE-O 3.01Å; R1811-Q2319 PolarHBondContact NH1-O 3.31Å; R1811-D2320 IonicContact CZ-OD1 3.38Å; R1811-D2320 IonicContact NH1-OD1 3.7Å; R1811-D2320 PolarHBondContact NH1-OD1 3.06Å; R1811-D2660 IonicContact CZ-OD1 2.78Å; R1811-D2660 IonicContact CZ-OD2 2.64Å; R1811-D2660 IonicContact NH1-OD1 2.7Å; R1811-D2660 IonicContact NH1-OD2 2.67Å; R1811-D2660 PolarHBondContact NH1-OD2 2.95Å; R1811-D2660 IonicContact NH2-OD1 3.48Å; R1811-D2660 PolarHBondContact NH2-OD1 3.34Å; R1811-D2660 IonicContact NH2-OD2 3.83Å; R1811-D2660 PolarHBondContact NH2-OD2 2.87Å
1812R73.7Confident79.9Confident81.6 Ų81.637.2 Ų37.231%0.30818%0.183SC..SBendtrans-107142.7172.5-68.3-69.3173.6172.4-10.4110.1T1807 N1808 D1816 D2662T1807-R1812 WeakPolarHBondContact O-CB 3.37Å; T1807-R1812 PolarHBondContact O-N 3.09Å; N1808-R1812 HydrophobicContact CB-CG 4.24Å; R1812-D1816 HydrophobicContact CB-CB 4.03Å; R1812-D1816 WeakPolarHBondContact CD-OD2 3.39Å; R1812-D1816 HydrophobicContact CG-CB 4.41Å; R1812-D1816 IonicContact CZ-OD2 2.69Å; R1812-D1816 IonicContact NH1-OD2 3.05Å; R1812-D1816 PolarHBondContact NH1-OD2 2.95Å; R1812-D2662 IonicContact NH2-OD2 2.8Å; R1812-D2662 PolarHBondContact NH2-OD2 2.83Å
1813P68.6Low79.5Confident68 Ų6838.6 Ų38.644%0.44219%0.191SC..  trans-62.3156.6173.129.1-35.1000110.1E1815 D1816P1813-E1815 PolarHBondContact O-N 3.29Å; P1813-E1815 VanDerWaalsContact O-N 3.1Å; P1813-D1816 HydrophobicContact CG-CB 4.15Å; P1813-D1816 WeakPolarHBondContact O-CA 3.21Å; P1813-D1816 WeakPolarHBondContact O-CB 3.36Å; P1813-D1816 PolarHBondContact O-N 2.99Å
1814L66.2Low79.6Confident53.4 Ų53.440.6 Ų40.628%0.2821%0.213SC..G310 helixtrans-60.7-22.8-178.4-177.157.3000113.3L1798 T1807 D1816 W1817 L1851 V1852 T1856 I1857L1798-L1814 HydrophobicContact CD1-CD1 3.78Å; L1798-L1814 HydrophobicContact CD1-CD2 4.21Å; L1798-L1814 HydrophobicContact CD2-CD1 3.54Å; L1798-L1814 VanDerWaalsContact CD2-CD1 3.48Å; L1798-L1814 HydrophobicContact CD2-CD2 3.82Å; L1798-L1814 HydrophobicContact CD2-CG 4.2Å; L1798-L1814 HydrophobicContact CG-CD1 4.26Å; L1798-L1814 HydrophobicContact CG-CD2 4.47Å; T1807-L1814 HydrophobicContact CG2-CD1 4.5Å; L1814-D1816 VanDerWaalsContact C-N 3.28Å; L1814-D1816 PolarHBondContact O-N 3.11Å; L1814-W1817 HydrophobicContact CD1-CB 4.1Å; L1814-W1817 HydrophobicContact CD1-CG 4.24Å; L1814-W1817 VanDerWaalsContact O-CB 3.27Å; L1814-W1817 WeakPolarHBondContact O-CB 3.28Å; L1814-W1817 PolarHBondContact O-N 3.02Å; L1814-W1817 VanDerWaalsContact O-N 3.12Å; L1814-L1851 HydrophobicContact CD2-CD1 4.13Å; L1814-V1852 HydrophobicContact CB-CG1 4.02Å; L1814-V1852 HydrophobicContact CD2-CB 4.39Å; L1814-V1852 HydrophobicContact CD2-CG1 4.06Å; L1814-V1852 HydrophobicContact CD2-CG2 3.43Å; L1814-V1852 VanDerWaalsContact CD2-CG2 3.43Å; L1814-V1852 HydrophobicContact CG-CB 4.46Å; L1814-V1852 HydrophobicContact CG-CG1 3.96Å; L1814-V1852 HydrophobicContact CG-CG2 3.79Å; L1814-T1856 PolarHBondContact O-OG1 3.19Å; L1814-T1856 VanDerWaalsContact O-OG1 3.06Å; L1814-I1857 HydrophobicContact CD1-CD1 4.34Å; L1814-I1857 HydrophobicContact CG-CD1 3.95Å; L1814-I1857 WeakPolarHBondContact O-CD1 3.45Å
1815E60.5Low79.6Confident99 Ų9940.7 Ų40.746%0.46321%0.214SC..G310 helixtrans-67.3-23.2172.4-64.1176.6-153.400113.7R1747 R1751 P1813 V1852 T1856R1747-E1815 IonicContact CZ-OE2 3.4Å; R1747-E1815 IonicContact NH1-OE2 2.73Å; R1747-E1815 PolarHBondContact NH1-OE2 2.99Å; R1747-E1815 IonicContact NH2-OE2 3.64Å; R1751-E1815 PolarHBondContact NH2-O 3.07Å; P1813-E1815 PolarHBondContact O-N 3.29Å; P1813-E1815 VanDerWaalsContact O-N 3.1Å; E1815-V1852 HydrophobicContact CG-CG1 4.2Å; E1815-T1856 VanDerWaalsContact CA-OG1 3.24Å; E1815-T1856 WeakPolarHBondContact CA-OG1 3.11Å; E1815-T1856 HydrophobicContact CB-CG2 4.45Å; E1815-T1856 PolarHBondContact N-OG1 2.79Å; E1815-T1856 WeakPolarHBondContact O-CG2 3.28Å
1816D68Low79.8Confident35.6 Ų35.640.8 Ų40.819%0.1922%0.215CC..G310 helixtrans-98.713.4174.9-87.9-14.6000112.3R1751 R1812 P1813 L1814 I1818R1751-D1816 IonicContact CZ-OD1 3.4Å; R1751-D1816 IonicContact NE-OD1 3.18Å; R1751-D1816 PolarHBondContact NE-OD1 3.33Å; R1751-D1816 IonicContact NH2-OD1 2.93Å; R1751-D1816 PolarHBondContact NH2-OD1 3.01Å; R1812-D1816 HydrophobicContact CB-CB 4.03Å; R1812-D1816 WeakPolarHBondContact CD-OD2 3.39Å; R1812-D1816 HydrophobicContact CG-CB 4.41Å; R1812-D1816 IonicContact CZ-OD2 2.69Å; R1812-D1816 IonicContact NH1-OD2 3.05Å; R1812-D1816 PolarHBondContact NH1-OD2 2.95Å; P1813-D1816 HydrophobicContact CG-CB 4.15Å; P1813-D1816 WeakPolarHBondContact O-CA 3.21Å; P1813-D1816 WeakPolarHBondContact O-CB 3.36Å; P1813-D1816 PolarHBondContact O-N 2.99Å; L1814-D1816 VanDerWaalsContact C-N 3.28Å; L1814-D1816 PolarHBondContact O-N 3.11Å; D1816-I1818 WeakPolarHBondContact O-CD1 3.45Å; D1816-I1818 WeakPolarHBondContact O-CG1 3.42Å; D1816-I1818 PolarHBondContact O-N 3.03Å
1817W77.2Confident80.2Confident26.4 Ų26.441.2 Ų41.210%0.122%0.218CC..  trans-59.5129.8174.2-176.9113.9000110.7D1803 A1806 T1807 L1814 N1819 L1844 P1846D1803-W1817 PolarHBondContact OD1-NE1 3.16Å; A1806-W1817 VanDerWaalsContact CB-CD1 3.5Å; A1806-W1817 HydrophobicContact CB-CD2 3.7Å; A1806-W1817 VanDerWaalsContact CB-CE2 3.4Å; A1806-W1817 HydrophobicContact CB-CE3 4.4Å; A1806-W1817 HydrophobicContact CB-CG 3.81Å; A1806-W1817 HydrophobicContact CB-CH2 4.4Å; A1806-W1817 HydrophobicContact CB-CZ2 3.85Å; A1806-W1817 VanDerWaalsContact CB-NE1 3.32Å; A1806-W1817 WeakPolarHBondContact O-CA 3.48Å; T1807-W1817 HydrophobicContact CG2-CB 4.27Å; T1807-W1817 HydrophobicContact CG2-CG 4.43Å; L1814-W1817 HydrophobicContact CD1-CB 4.1Å; L1814-W1817 HydrophobicContact CD1-CG 4.24Å; L1814-W1817 VanDerWaalsContact O-CB 3.27Å; L1814-W1817 WeakPolarHBondContact O-CB 3.28Å; L1814-W1817 PolarHBondContact O-N 3.02Å; L1814-W1817 VanDerWaalsContact O-N 3.12Å; W1817-N1819 HydrophobicContact CH2-CB 4.05Å; W1817-N1819 VanDerWaalsContact CZ3-CA 3.47Å; W1817-N1819 HydrophobicContact CZ3-CB 3.88Å; W1817-N1819 VanDerWaalsContact CZ3-N 3.31Å; W1817-L1844 VanDerWaalsContact CH2-O 3.29Å; W1817-L1844 WeakPolarHBondContact CH2-O 3.38Å; W1817-L1844 WeakPolarHBondContact CZ2-O 3.4Å; W1817-P1846 HydrophobicContact CD2-CB 4.34Å; W1817-P1846 HydrophobicContact CD2-CG 4.37Å; W1817-P1846 HydrophobicContact CE3-CB 4.03Å; W1817-P1846 HydrophobicContact CE3-CG 3.67Å; W1817-P1846 HydrophobicContact CH2-CB 3.9Å; W1817-P1846 HydrophobicContact CH2-CG 4.24Å; W1817-P1846 HydrophobicContact CZ2-CB 4.15Å; W1817-P1846 HydrophobicContact CZ3-CB 3.91Å; W1817-P1846 VanDerWaalsContact CZ3-CD 3.45Å; W1817-P1846 HydrophobicContact CZ3-CG 3.78Å
1818I76.9Confident80.7Confident36.4 Ų36.441.2 Ų41.219%0.18722%0.218CC..  trans-128.8134.5-178.5-66.2168000109.8W1757 Y1758 A1806 D1816 P1820 V1823W1757-I1818 HydrophobicContact CZ2-CB 4.46Å; W1757-I1818 HydrophobicContact CZ2-CD1 4.36Å; Y1758-I1818 HydrophobicContact CD1-CD1 3.83Å; Y1758-I1818 HydrophobicContact CE1-CD1 3.53Å; Y1758-I1818 VanDerWaalsContact CE1-CD1 3.45Å; A1806-I1818 VanDerWaalsContact CA-O 3.29Å; A1806-I1818 WeakPolarHBondContact CA-O 3.35Å; A1806-I1818 VanDerWaalsContact CB-O 3.27Å; A1806-I1818 WeakPolarHBondContact CB-O 3.31Å; A1806-I1818 PolarHBondContact O-N 3.05Å; A1806-I1818 VanDerWaalsContact O-N 3.07Å; D1816-I1818 WeakPolarHBondContact O-CD1 3.45Å; D1816-I1818 WeakPolarHBondContact O-CG1 3.42Å; D1816-I1818 PolarHBondContact O-N 3.03Å; I1818-P1820 VanDerWaalsContact O-CD 3.23Å; I1818-P1820 WeakPolarHBondContact O-CD 3.32Å; I1818-P1820 VanDerWaalsContact O-N 3.09Å; I1818-V1823 HydrophobicContact CG2-CB 4.49Å; I1818-V1823 HydrophobicContact CG2-CG1 3.58Å; I1818-V1823 HydrophobicContact CG2-CG2 4.26Å
1819N82.6Confident81Confident11.6 Ų11.641 Ų416%0.06222%0.217CC..  trans-59.5113.4179.9178.7-27.8000110.1W1817 A1821 I1822 V1823 V1841 L1844W1817-N1819 HydrophobicContact CH2-CB 4.05Å; W1817-N1819 VanDerWaalsContact CZ3-CA 3.47Å; W1817-N1819 HydrophobicContact CZ3-CB 3.88Å; W1817-N1819 VanDerWaalsContact CZ3-N 3.31Å; N1819-A1821 PolarHBondContact O-N 3.18Å; N1819-A1821 VanDerWaalsContact O-N 3.11Å; N1819-A1821 WeakPolarHBondContact OD1-CA 3.37Å; N1819-A1821 PolarHBondContact OD1-N 2.88Å; N1819-I1822 HydrophobicContact CB-CB 4.3Å; N1819-I1822 HydrophobicContact CB-CD1 3.86Å; N1819-I1822 HydrophobicContact CB-CG1 3.89Å; N1819-I1822 WeakPolarHBondContact O-CB 3.43Å; N1819-I1822 PolarHBondContact O-N 3.38Å; N1819-I1822 PolarHBondContact OD1-N 3.06Å; N1819-V1823 PolarHBondContact O-N 3Å; N1819-V1841 VanDerWaalsContact ND2-CG1 3.34Å; N1819-V1841 WeakPolarHBondContact ND2-CG1 3.25Å; N1819-V1841 PolarHBondContact ND2-O 3.13Å; N1819-L1844 VanDerWaalsContact CG-O 3.24Å; N1819-L1844 PolarHBondContact ND2-O 2.84Å; N1819-L1844 PolarHBondContact OD1-O 3.06Å
1820P87.6Confident81.4Confident0 Ų041.7 Ų41.70%022%0.222CC..THydrogen-bonded Turntrans-67.2-18-171.425.5-34000113.1I1802 L1805 A1806 I1818 G1824 L1825 I1826 L1844I1802-P1820 HydrophobicContact CG2-CG 4.01Å; L1805-P1820 HydrophobicContact CB-CB 4.15Å; L1805-P1820 HydrophobicContact CB-CG 4.37Å; A1806-P1820 HydrophobicContact CB-CG 4.49Å; I1818-P1820 VanDerWaalsContact O-CD 3.23Å; I1818-P1820 WeakPolarHBondContact O-CD 3.32Å; I1818-P1820 VanDerWaalsContact O-N 3.09Å; P1820-G1824 PolarHBondContact O-N 3.19Å; P1820-L1825 HydrophobicContact CB-CB 4.03Å; P1820-L1825 HydrophobicContact CB-CD1 4.48Å; P1820-L1825 WeakPolarHBondContact O-CA 3.25Å; P1820-L1825 WeakPolarHBondContact O-CB 3.42Å; P1820-L1825 PolarHBondContact O-N 3.3Å; P1820-I1826 HydrophobicContact CB-CB 4.44Å; P1820-I1826 HydrophobicContact CB-CD1 3.93Å; P1820-I1826 HydrophobicContact CB-CG1 4.04Å; P1820-I1826 HydrophobicContact CG-CD1 3.59Å; P1820-I1826 HydrophobicContact CG-CG1 4.24Å; P1820-I1826 PolarHBondContact O-N 3.1Å; P1820-I1826 VanDerWaalsContact O-N 3.1Å; P1820-L1844 HydrophobicContact CG-CD1 4.27Å
1821A86.8Confident81.7Confident14.4 Ų14.436.7 Ų36.712%0.11920%0.196CC..THydrogen-bonded Turntrans-89.2-6.617300000114.6N1819 I1826 I1828 V1841 L1844N1819-A1821 PolarHBondContact O-N 3.18Å; N1819-A1821 VanDerWaalsContact O-N 3.11Å; N1819-A1821 WeakPolarHBondContact OD1-CA 3.37Å; N1819-A1821 PolarHBondContact OD1-N 2.88Å; A1821-I1826 VanDerWaalsContact CA-O 3.3Å; A1821-I1826 WeakPolarHBondContact CA-O 3.28Å; A1821-I1826 HydrophobicContact CB-CB 4.14Å; A1821-I1826 HydrophobicContact CB-CG2 4.33Å; A1821-I1826 WeakPolarHBondContact CB-O 3.39Å; A1821-I1828 HydrophobicContact CB-CD1 3.93Å; A1821-I1828 HydrophobicContact CB-CG1 4Å; A1821-V1841 HydrophobicContact CB-CG1 3.95Å; A1821-V1841 HydrophobicContact CB-CG2 4.28Å; A1821-L1844 HydrophobicContact CB-CD1 3.98Å
1822I83Confident81.8Confident91 Ų9132.2 Ų32.247%0.46718%0.182SC..THydrogen-bonded Turntrans-82.3-38.9165.2-64.2-178.5000110.1N1819 G1824 V1841N1819-I1822 HydrophobicContact CB-CB 4.3Å; N1819-I1822 HydrophobicContact CB-CD1 3.86Å; N1819-I1822 HydrophobicContact CB-CG1 3.89Å; N1819-I1822 WeakPolarHBondContact O-CB 3.43Å; N1819-I1822 PolarHBondContact O-N 3.38Å; N1819-I1822 PolarHBondContact OD1-N 3.06Å; I1822-G1824 VanDerWaalsContact C-N 3.3Å; I1822-G1824 PolarHBondContact O-N 3.36Å; I1822-V1841 HydrophobicContact CD1-CG1 4.38Å; I1822-V1841 HydrophobicContact CG1-CG1 3.49Å; I1822-V1841 VanDerWaalsContact CG1-CG1 3.46Å
1823V81.7Confident81.8Confident31 Ų3134.4 Ų34.419%0.18821%0.21CC..THydrogen-bonded Turntrans-88.910.2179.1-64.50000114.2Y1758 I1818 N1819 L1825Y1758-V1823 HydrophobicContact CD1-CG1 3.96Å; Y1758-V1823 HydrophobicContact CD2-CB 3.89Å; Y1758-V1823 HydrophobicContact CD2-CG1 3.49Å; Y1758-V1823 VanDerWaalsContact CD2-CG1 3.49Å; Y1758-V1823 HydrophobicContact CE1-CG1 4.23Å; Y1758-V1823 HydrophobicContact CE2-CG1 3.8Å; Y1758-V1823 HydrophobicContact CG-CB 3.93Å; Y1758-V1823 HydrophobicContact CG-CG1 3.59Å; Y1758-V1823 HydrophobicContact CG-CG2 4.44Å; I1818-V1823 HydrophobicContact CG2-CB 4.49Å; I1818-V1823 HydrophobicContact CG2-CG1 3.58Å; I1818-V1823 HydrophobicContact CG2-CG2 4.26Å; N1819-V1823 PolarHBondContact O-N 3Å; V1823-L1825 VanDerWaalsContact C-N 3.28Å; V1823-L1825 HydrophobicContact CG2-CB 4.46Å; V1823-L1825 HydrophobicContact CG2-CD1 3.86Å; V1823-L1825 HydrophobicContact CG2-CG 3.91Å; V1823-L1825 PolarHBondContact O-N 2.99Å; V1823-L1825 VanDerWaalsContact O-N 3.16Å
1824G85.9Confident82.2Confident47.8 Ų47.835.5 Ų35.549%0.49322%0.219SC..THydrogen-bonded Turntrans72.88.4174.300000116.2P1820 I1822 I1826P1820-G1824 PolarHBondContact O-N 3.19Å; I1822-G1824 VanDerWaalsContact C-N 3.3Å; I1822-G1824 PolarHBondContact O-N 3.36Å; G1824-I1826 VanDerWaalsContact C-N 3.28Å; G1824-I1826 PolarHBondContact O-N 2.83Å
1825L87.6Confident82.7Confident8.4 Ų8.434.8 Ų34.84%0.04422%0.218CC..SBendtrans-71.9-22.7173.3-62.3175.2000112.6W1757 R1762 L1765 W1768 P1820 V1823W1757-L1825 HydrophobicContact CH2-CD1 3.95Å; W1757-L1825 HydrophobicContact CZ3-CD1 3.74Å; R1762-L1825 PolarHBondContact NH1-O 3.22Å; L1765-L1825 HydrophobicContact CD1-CD1 4.45Å; L1765-L1825 HydrophobicContact CD1-CD2 3.58Å; L1765-L1825 VanDerWaalsContact CD1-CD2 3.47Å; W1768-L1825 HydrophobicContact CH2-CD2 4.21Å; P1820-L1825 HydrophobicContact CB-CB 4.03Å; P1820-L1825 HydrophobicContact CB-CD1 4.48Å; P1820-L1825 WeakPolarHBondContact O-CA 3.25Å; P1820-L1825 WeakPolarHBondContact O-CB 3.42Å; P1820-L1825 PolarHBondContact O-N 3.3Å; V1823-L1825 VanDerWaalsContact C-N 3.28Å; V1823-L1825 HydrophobicContact CG2-CB 4.46Å; V1823-L1825 HydrophobicContact CG2-CD1 3.86Å; V1823-L1825 HydrophobicContact CG2-CG 3.91Å; V1823-L1825 PolarHBondContact O-N 2.99Å; V1823-L1825 VanDerWaalsContact O-N 3.16Å
1826I91.6Very high83.4Confident2.4 Ų2.433.7 Ų33.71%0.01222%0.218CC..SBendtrans-132.4151.4172.3-62.6179.2000107.8I1802 L1805 P1820 A1821 G1824 I1828 L1844 V1914 D1915 L1916I1802-I1826 HydrophobicContact CG1-CD1 3.89Å; L1805-I1826 HydrophobicContact CD1-CD1 3.61Å; L1805-I1826 HydrophobicContact CD1-CG1 3.89Å; P1820-I1826 HydrophobicContact CB-CB 4.44Å; P1820-I1826 HydrophobicContact CB-CD1 3.93Å; P1820-I1826 HydrophobicContact CB-CG1 4.04Å; P1820-I1826 HydrophobicContact CG-CD1 3.59Å; P1820-I1826 HydrophobicContact CG-CG1 4.24Å; P1820-I1826 PolarHBondContact O-N 3.1Å; P1820-I1826 VanDerWaalsContact O-N 3.1Å; A1821-I1826 VanDerWaalsContact CA-O 3.3Å; A1821-I1826 WeakPolarHBondContact CA-O 3.28Å; A1821-I1826 HydrophobicContact CB-CB 4.14Å; A1821-I1826 HydrophobicContact CB-CG2 4.33Å; A1821-I1826 WeakPolarHBondContact CB-O 3.39Å; G1824-I1826 VanDerWaalsContact C-N 3.28Å; G1824-I1826 PolarHBondContact O-N 2.83Å; I1826-I1828 HydrophobicContact CG2-CG1 4.35Å; I1826-L1844 HydrophobicContact CB-CD1 4.33Å; I1826-L1844 HydrophobicContact CD1-CD1 3.89Å; I1826-L1844 HydrophobicContact CG2-CD1 3.83Å; I1826-V1914 HydrophobicContact CG2-CG1 3.42Å; I1826-V1914 VanDerWaalsContact CG2-CG1 3.42Å; I1826-D1915 WeakPolarHBondContact CA-O 3.35Å; I1826-D1915 WeakPolarHBondContact CG2-O 3.37Å; I1826-L1916 HydrophobicContact CD1-CD2 3.86Å; I1826-L1916 HydrophobicContact CG1-CD2 4.33Å; I1826-L1916 HydrophobicContact CG2-CD2 4.3Å
1827S93Very high83.7Confident9.4 Ų9.436.1 Ų36.17%0.06623%0.227CC..EExtended strand (participates in β ladder)trans-122.2144173.2178.70000111V1914 D1915 V2047 L2048 P2050S1827-V1914 CarbonylContact O-C 3.55Å; S1827-V1914 WeakPolarHBondContact O-CA 3.39Å; S1827-D1915 PolarHBondContact N-O 3.11Å; S1827-D1915 PolarHBondContact O-N 2.99Å; S1827-V2047 VanDerWaalsContact CB-CG1 3.42Å; S1827-L2048 WeakPolarHBondContact CB-O 3.35Å; S1827-L2048 PolarHBondContact OG-O 2.95Å; S1827-P2050 WeakPolarHBondContact OG-CD 3.35Å; S1827-P2050 WeakPolarHBondContact OG-CG 3.36Å
1828I92.5Very high83.4Confident7.6 Ų7.636.6 Ų36.64%0.03924%0.24CC..EExtended strand (participates in β ladder)trans-134122.7-177.8-45.1-175.1000110.2A1821 I1826 A1840 I1843 L1844 I1912 T1913 V1914 P2050A1821-I1828 HydrophobicContact CB-CD1 3.93Å; A1821-I1828 HydrophobicContact CB-CG1 4Å; I1826-I1828 HydrophobicContact CG2-CG1 4.35Å; I1828-A1840 HydrophobicContact CB-CB 4.43Å; I1828-A1840 HydrophobicContact CG2-CB 3.99Å; I1828-I1843 HydrophobicContact CD1-CD1 3.94Å; I1828-I1843 HydrophobicContact CD1-CG1 3.87Å; I1828-I1843 HydrophobicContact CD1-CG2 3.6Å; I1828-I1843 HydrophobicContact CG2-CD1 4.05Å; I1828-L1844 HydrophobicContact CD1-CB 4.42Å; I1828-L1844 HydrophobicContact CD1-CD1 3.63Å; I1828-L1844 HydrophobicContact CD1-CD2 4.23Å; I1828-L1844 HydrophobicContact CD1-CG 3.63Å; I1828-L1844 HydrophobicContact CG1-CD1 4.34Å; I1828-I1912 HydrophobicContact CG2-CG2 3.77Å; I1828-T1913 CarbonylContact C-O 3.53Å; I1828-T1913 VanDerWaalsContact CA-O 3.31Å; I1828-T1913 WeakPolarHBondContact CA-O 3.27Å; I1828-V1914 HydrophobicContact CG1-CG1 4.42Å; I1828-V1914 HydrophobicContact CG1-CG2 4.34Å; I1828-V1914 HydrophobicContact CG2-CG2 4.28Å; I1828-P2050 WeakPolarHBondContact O-CB 3.26Å
1829A92.3Very high83.5Confident5 Ų541 Ų414%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-109.2160.9169.800000110.9W1911 I1912 T1913 P2050 L2053 A2054A1829-W1911 HydrophobicContact CB-CH2 4.16Å; A1829-W1911 HydrophobicContact CB-CZ3 3.9Å; A1829-I1912 CarbonylContact O-C 3.5Å; A1829-I1912 WeakPolarHBondContact O-CA 3.3Å; A1829-T1913 PolarHBondContact N-O 3.21Å; A1829-T1913 PolarHBondContact O-N 3.13Å; A1829-P2050 HydrophobicContact CB-CB 4.44Å; A1829-P2050 WeakPolarHBondContact CB-O 3.22Å; A1829-L2053 HydrophobicContact CB-CB 4.18Å; A1829-L2053 HydrophobicContact CB-CD2 3.71Å; A1829-L2053 HydrophobicContact CB-CG 3.99Å; A1829-A2054 HydrophobicContact CB-CB 4.24Å
1830A91.5Very high83.6Confident16.2 Ų16.241.3 Ų41.313%0.13426%0.259CS..EExtended strand (participates in β ladder)trans-139.5160.917500000110.8T1832 A1840 V1866 W1911 I1912A1830-T1832 PolarHBondContact O-N 3.16Å; A1830-T1832 VanDerWaalsContact O-N 3.11Å; A1830-A1840 HydrophobicContact CB-CB 4.4Å; A1830-V1866 HydrophobicContact CB-CG1 4.13Å; A1830-V1866 HydrophobicContact CB-CG2 3.99Å; A1830-W1911 VanDerWaalsContact C-CZ3 3.48Å; A1830-W1911 CarbonylContact C-O 3.55Å; A1830-W1911 VanDerWaalsContact CA-O 3.3Å; A1830-W1911 WeakPolarHBondContact CA-O 3.41Å; A1830-W1911 WeakPolarHBondContact O-CH2 3.48Å; A1830-I1912 HydrophobicContact CB-CG1 4.29Å
1831S89Confident83.5Confident4.2 Ų4.243 Ų433%0.02927%0.269CS..SBendtrans-59.2-28.3179.649.40000114V1866 K1867 K1869 A1910 W1911 Y2058S1831-V1866 WeakPolarHBondContact OG-CG1 3.41Å; S1831-K1867 PolarHBondContact OG-O 3.4Å; S1831-K1869 VanDerWaalsContact O-CB 3.29Å; S1831-K1869 WeakPolarHBondContact O-CB 3.35Å; S1831-K1869 WeakPolarHBondContact O-CD 3.13Å; S1831-A1910 WeakPolarHBondContact OG-CA 3.25Å; S1831-W1911 PolarHBondContact N-O 3.36Å; S1831-W1911 PolarHBondContact OG-N 3.06Å; S1831-W1911 VanDerWaalsContact OG-N 3.12Å; S1831-W1911 PolarHBondContact OG-O 2.89Å; S1831-Y2058 WeakPolarHBondContact CA-OH 3.19Å; S1831-Y2058 PolarHBondContact O-OH 3.05Å; S1831-Y2058 VanDerWaalsContact O-OH 3.12Å
1832T82.5Confident83.2Confident27.2 Ų27.243.3 Ų43.317%0.16727%0.27CS..SBendtrans-118.3136.9170.656.60000111A1830 S1834 K1867 K1869A1830-T1832 PolarHBondContact O-N 3.16Å; A1830-T1832 VanDerWaalsContact O-N 3.11Å; T1832-S1834 VanDerWaalsContact C-N 3.3Å; T1832-S1834 VanDerWaalsContact CB-O 3.32Å; T1832-S1834 WeakPolarHBondContact CB-O 3.32Å; T1832-S1834 PolarHBondContact O-N 3.03Å; T1832-S1834 PolarHBondContact OG1-O 2.92Å; T1832-K1867 HydrophobicContact CG2-CB 4.42Å; T1832-K1867 VanDerWaalsContact CG2-O 3.29Å; T1832-K1867 WeakPolarHBondContact CG2-O 3.42Å; T1832-K1869 HydrophobicContact CG2-CB 4.31Å
1833S73.2Confident83.2Confident127.4 Ų127.439 Ų3989%0.89125%0.248SC*.SBendtrans-63.8-35.3171.946.50000112.1P1835S1833-P1835 WeakPolarHBondContact O-CD 3.38Å
1834S76.3Confident83.3Confident91 Ų9137.6 Ų37.664%0.63624%0.24SC*.SBendtrans-98.499.6168.730.20000110.8T1832T1832-S1834 VanDerWaalsContact C-N 3.3Å; T1832-S1834 VanDerWaalsContact CB-O 3.32Å; T1832-S1834 WeakPolarHBondContact CB-O 3.32Å; T1832-S1834 PolarHBondContact O-N 3.03Å; T1832-S1834 PolarHBondContact OG1-O 2.92Å
1835P77.5Confident82.3Confident38.4 Ų38.435.8 Ų35.825%0.24922%0.221CC..  trans-65.3161.3162.828.5-35.5000111.3S1833 K1837 G1838 V1864 V1865 V1866S1833-P1835 WeakPolarHBondContact O-CD 3.38Å; P1835-K1837 VanDerWaalsContact C-N 3.31Å; P1835-G1838 WeakPolarHBondContact CB-O 3.25Å; P1835-G1838 VanDerWaalsContact CG-O 3.29Å; P1835-G1838 WeakPolarHBondContact CG-O 3.32Å; P1835-V1864 HydrophobicContact CB-CG2 3.59Å; P1835-V1864 HydrophobicContact CG-CG2 4.09Å; P1835-V1865 CarbonylContact C-O 3.55Å; P1835-V1865 WeakPolarHBondContact CA-O 3.29Å; P1835-V1865 VanDerWaalsContact CB-O 3.32Å; P1835-V1865 WeakPolarHBondContact CB-O 3.41Å; P1835-V1866 HydrophobicContact CB-CG2 4.39Å
1836V74.3Confident80.8Confident77.2 Ų77.236.7 Ų36.747%0.46823%0.228SC..SBendtrans-76.4-31.1-178.8-168.10000112.3V1865 K1867V1836-V1865 HydrophobicContact CB-CB 4.11Å; V1836-V1865 HydrophobicContact CB-CG1 3.96Å; V1836-V1865 HydrophobicContact CG2-CG1 4.12Å; V1836-V1865 PolarHBondContact N-O 3.23Å; V1836-K1867 HydrophobicContact CG2-CB 4.42Å; V1836-K1867 HydrophobicContact CG2-CD 3.51Å; V1836-K1867 VanDerWaalsContact CG2-CD 3.5Å; V1836-K1867 VanDerWaalsContact CG2-CE 3.47Å; V1836-K1867 HydrophobicContact CG2-CG 3.6Å
1837K75.1Confident78.8Confident84.6 Ų84.638.4 Ų38.437%0.36824%0.236SC..BIsolated β-bridgetrans-152.2136.6-178.9-155.7178.2-173-177.30107.8P1835 I1862 V1864 V1865 R1932 E1937P1835-K1837 VanDerWaalsContact C-N 3.31Å; K1837-I1862 HydrophobicContact CD-CG1 4.13Å; K1837-I1862 HydrophobicContact CD-CG2 3.91Å; K1837-I1862 HydrophobicContact CG-CG2 4.19Å; K1837-V1864 CarbonylContact O-C 3.53Å; K1837-V1864 VanDerWaalsContact O-CA 3.29Å; K1837-V1864 WeakPolarHBondContact O-CA 3.36Å; K1837-V1864 WeakPolarHBondContact O-CG2 3.34Å; K1837-V1865 HydrophobicContact CB-CB 4.13Å; K1837-V1865 HydrophobicContact CB-CG2 4.02Å; K1837-V1865 PolarHBondContact O-N 3.11Å; K1837-R1932 PolarHBondContact NZ-O 3.25Å; K1837-E1937 IonicContact NZ-OE1 3.78Å; K1837-E1937 PolarHBondContact NZ-OE1 2.8Å; K1837-E1937 IonicContact NZ-OE2 3.6Å; K1837-E1937 PolarHBondContact NZ-OE2 3Å
1838G71.4Confident76.2Confident37.6 Ų37.639.7 Ų39.739%0.38825%0.247SC..SBendtrans69.8-175.5179.100000115.1P1835 G1863P1835-G1838 WeakPolarHBondContact CB-O 3.25Å; P1835-G1838 VanDerWaalsContact CG-O 3.29Å; P1835-G1838 WeakPolarHBondContact CG-O 3.32Å; G1838-G1863 WeakPolarHBondContact CA-O 3.28Å
1839R78.9Confident73.5Confident128 Ų12841.3 Ų41.348%0.48327%0.265SS..  trans-110.8153173.7-65.2-171.6-77.5177.7-4.4109.7V1841 S1842 Q1847 V1864 E2249R1839-V1841 PolarHBondContact O-N 3.1Å; R1839-V1841 VanDerWaalsContact O-N 3.16Å; R1839-S1842 PolarHBondContact N-OG 3.12Å; R1839-S1842 VanDerWaalsContact N-OG 3.17Å; R1839-S1842 WeakPolarHBondContact O-CB 3.31Å; R1839-S1842 PolarHBondContact O-N 3.18Å; R1839-S1842 PolarHBondContact O-OG 3.21Å; R1839-S1842 VanDerWaalsContact O-OG 3.1Å; R1839-Q1847 VanDerWaalsContact NH2-CD 3.28Å; R1839-V1864 WeakPolarHBondContact O-CB 3.37Å; R1839-E2249 IonicContact CZ-OE1 2.65Å; R1839-E2249 IonicContact CZ-OE2 3.8Å; R1839-E2249 VanDerWaalsContact NE-CD 3.34Å; R1839-E2249 IonicContact NE-OE1 2.68Å; R1839-E2249 PolarHBondContact NE-OE1 2.9Å; R1839-E2249 IonicContact NE-OE2 3.61Å; R1839-E2249 IonicContact NH2-OE1 2.81Å; R1839-E2249 PolarHBondContact NH2-OE1 3.01Å; R1839-E2249 IonicContact NH2-OE2 2.67Å; R1839-E2249 PolarHBondContact NH2-OE2 2.92Å
1840A84Confident70.7Confident18.4 Ų18.442.3 Ų42.315%0.15227%0.274CS..G310 helixtrans-55.9-37.1178.600000112.9I1828 A1830 S1842 I1843I1828-A1840 HydrophobicContact CB-CB 4.43Å; I1828-A1840 HydrophobicContact CG2-CB 3.99Å; A1830-A1840 HydrophobicContact CB-CB 4.4Å; A1840-S1842 PolarHBondContact O-N 2.86Å; A1840-S1842 VanDerWaalsContact O-N 3.12Å; A1840-I1843 WeakPolarHBondContact O-CG1 3.41Å; A1840-I1843 WeakPolarHBondContact O-CG2 3.16Å; A1840-I1843 PolarHBondContact O-N 3.07Å; A1840-I1843 VanDerWaalsContact O-N 3.15Å
1841V84.9Confident68Low35.6 Ų35.646.4 Ų46.422%0.21629%0.293CS..G310 helixtrans-59.3-21.3174.1175.70000113.7N1819 A1821 I1822 R1839 I1843 L1844N1819-V1841 VanDerWaalsContact ND2-CG1 3.34Å; N1819-V1841 WeakPolarHBondContact ND2-CG1 3.25Å; N1819-V1841 PolarHBondContact ND2-O 3.13Å; A1821-V1841 HydrophobicContact CB-CG1 3.95Å; A1821-V1841 HydrophobicContact CB-CG2 4.28Å; I1822-V1841 HydrophobicContact CD1-CG1 4.38Å; I1822-V1841 HydrophobicContact CG1-CG1 3.49Å; I1822-V1841 VanDerWaalsContact CG1-CG1 3.46Å; R1839-V1841 PolarHBondContact O-N 3.1Å; R1839-V1841 VanDerWaalsContact O-N 3.16Å; V1841-I1843 VanDerWaalsContact C-N 3.29Å; V1841-I1843 PolarHBondContact O-N 2.93Å; V1841-L1844 PolarHBondContact O-N 3.1Å; V1841-L1844 VanDerWaalsContact O-N 3.13Å
1842S80.2Confident65.4Low21.4 Ų21.449.4 Ų49.415%0.1531%0.311CS..G310 helixtrans-71.4-10.5179.3-50.80000114.3R1839 A1840 L1844 G1845 G1863R1839-S1842 PolarHBondContact N-OG 3.12Å; R1839-S1842 VanDerWaalsContact N-OG 3.17Å; R1839-S1842 WeakPolarHBondContact O-CB 3.31Å; R1839-S1842 PolarHBondContact O-N 3.18Å; R1839-S1842 PolarHBondContact O-OG 3.21Å; R1839-S1842 VanDerWaalsContact O-OG 3.1Å; A1840-S1842 PolarHBondContact O-N 2.86Å; A1840-S1842 VanDerWaalsContact O-N 3.12Å; S1842-L1844 VanDerWaalsContact C-N 3.27Å; S1842-L1844 PolarHBondContact O-N 3.46Å; S1842-G1845 PolarHBondContact O-N 3.19Å; S1842-G1845 VanDerWaalsContact O-N 3.13Å; S1842-G1863 WeakPolarHBondContact CB-O 3.4Å
1843I84.7Confident63Low0.2 Ų0.251.2 Ų51.20%0.00133%0.334CS..G310 helixtrans-71.1-25.6171.986.9-171.8000112.4I1828 A1840 V1841 G1845 V1864 I1912 V1914 L2031 G2033 L2034I1828-I1843 HydrophobicContact CD1-CD1 3.94Å; I1828-I1843 HydrophobicContact CD1-CG1 3.87Å; I1828-I1843 HydrophobicContact CD1-CG2 3.6Å; I1828-I1843 HydrophobicContact CG2-CD1 4.05Å; A1840-I1843 WeakPolarHBondContact O-CG1 3.41Å; A1840-I1843 WeakPolarHBondContact O-CG2 3.16Å; A1840-I1843 PolarHBondContact O-N 3.07Å; A1840-I1843 VanDerWaalsContact O-N 3.15Å; V1841-I1843 VanDerWaalsContact C-N 3.29Å; V1841-I1843 PolarHBondContact O-N 2.93Å; I1843-G1845 VanDerWaalsContact C-N 3.3Å; I1843-G1845 PolarHBondContact O-N 2.68Å; I1843-V1864 HydrophobicContact CB-CG1 4.2Å; I1843-V1864 HydrophobicContact CG2-CB 4.2Å; I1843-V1864 HydrophobicContact CG2-CG1 3.39Å; I1843-V1864 VanDerWaalsContact CG2-CG1 3.42Å; I1843-I1912 HydrophobicContact CD1-CD1 4.28Å; I1843-I1912 HydrophobicContact CD1-CG2 3.76Å; I1843-V1914 HydrophobicContact CD1-CG2 4.44Å; I1843-L2031 HydrophobicContact CD1-CB 3.75Å; I1843-L2031 HydrophobicContact CD1-CD1 3.57Å; I1843-L2031 HydrophobicContact CD1-CG 4.31Å; I1843-L2031 HydrophobicContact CG1-CB 3.94Å; I1843-L2031 HydrophobicContact CG2-CB 4.03Å; I1843-G2033 CarbonylContact O-C 3.56Å; I1843-G2033 VanDerWaalsContact O-CA 3.26Å; I1843-G2033 WeakPolarHBondContact O-CA 3.26Å; I1843-L2034 HydrophobicContact CD1-CB 3.91Å; I1843-L2034 HydrophobicContact CD1-CD2 4.16Å; I1843-L2034 HydrophobicContact CG1-CB 4.26Å; I1843-L2034 PolarHBondContact O-N 3.19Å; I1843-L2034 VanDerWaalsContact O-N 3.09Å
1844L82Confident61.1Low2 Ų247.9 Ų47.91%0.0132%0.321CS..G310 helixtrans-9521.6173.2-53.8-172.1000111I1802 W1817 N1819 P1820 A1821 I1826 I1828 V1841 S1842 L2034I1802-L1844 HydrophobicContact CD1-CD2 3.66Å; I1802-L1844 HydrophobicContact CG1-CD1 4.36Å; I1802-L1844 HydrophobicContact CG1-CD2 4.21Å; I1802-L1844 HydrophobicContact CG2-CB 4.34Å; I1802-L1844 HydrophobicContact CG2-CD1 4.33Å; I1802-L1844 HydrophobicContact CG2-CD2 4.21Å; I1802-L1844 HydrophobicContact CG2-CG 4.49Å; W1817-L1844 VanDerWaalsContact CH2-O 3.29Å; W1817-L1844 WeakPolarHBondContact CH2-O 3.38Å; W1817-L1844 WeakPolarHBondContact CZ2-O 3.4Å; N1819-L1844 VanDerWaalsContact CG-O 3.24Å; N1819-L1844 PolarHBondContact ND2-O 2.84Å; N1819-L1844 PolarHBondContact OD1-O 3.06Å; P1820-L1844 HydrophobicContact CG-CD1 4.27Å; A1821-L1844 HydrophobicContact CB-CD1 3.98Å; I1826-L1844 HydrophobicContact CB-CD1 4.33Å; I1826-L1844 HydrophobicContact CD1-CD1 3.89Å; I1826-L1844 HydrophobicContact CG2-CD1 3.83Å; I1828-L1844 HydrophobicContact CD1-CB 4.42Å; I1828-L1844 HydrophobicContact CD1-CD1 3.63Å; I1828-L1844 HydrophobicContact CD1-CD2 4.23Å; I1828-L1844 HydrophobicContact CD1-CG 3.63Å; I1828-L1844 HydrophobicContact CG1-CD1 4.34Å; V1841-L1844 PolarHBondContact O-N 3.1Å; V1841-L1844 VanDerWaalsContact O-N 3.13Å; S1842-L1844 VanDerWaalsContact C-N 3.27Å; S1842-L1844 PolarHBondContact O-N 3.46Å; L1844-L2034 HydrophobicContact CD2-CB 4.07Å; L1844-L2034 HydrophobicContact CD2-CD2 4.31Å; L1844-L2034 HydrophobicContact CD2-CG 4.3Å
1845G66.1Low58.9Low10.2 Ų10.249.5 Ų49.511%0.10531%0.314CS..SBendtrans-86.4157.9169.100000111S1842 I1843 Q1847 R1931S1842-G1845 PolarHBondContact O-N 3.19Å; S1842-G1845 VanDerWaalsContact O-N 3.13Å; I1843-G1845 VanDerWaalsContact C-N 3.3Å; I1843-G1845 PolarHBondContact O-N 2.68Å; G1845-Q1847 PolarHBondContact O-N 3.39Å; G1845-R1931 PolarHBondContact O-NH1 2.91Å; G1845-R1931 VanDerWaalsContact O-NH1 3.1Å; G1845-R1931 PolarHBondContact O-NH2 3.2Å
1846P56Low56.9Low27.6 Ų27.650.7 Ų50.718%0.17932%0.32CS..PPolyproline II helixtrans-55.1142-175.29.9-16.1000112.3W1817 A1848 A1850 I1857 R1858 G1859 R1931W1817-P1846 HydrophobicContact CD2-CB 4.34Å; W1817-P1846 HydrophobicContact CD2-CG 4.37Å; W1817-P1846 HydrophobicContact CE3-CB 4.03Å; W1817-P1846 HydrophobicContact CE3-CG 3.67Å; W1817-P1846 HydrophobicContact CH2-CB 3.9Å; W1817-P1846 HydrophobicContact CH2-CG 4.24Å; W1817-P1846 HydrophobicContact CZ2-CB 4.15Å; W1817-P1846 HydrophobicContact CZ3-CB 3.91Å; W1817-P1846 VanDerWaalsContact CZ3-CD 3.45Å; W1817-P1846 HydrophobicContact CZ3-CG 3.78Å; P1846-A1848 PolarHBondContact O-N 3.18Å; P1846-A1848 VanDerWaalsContact O-N 3.11Å; P1846-A1850 HydrophobicContact CB-CB 3.84Å; P1846-I1857 HydrophobicContact CB-CG2 3.75Å; P1846-I1857 HydrophobicContact CG-CG2 3.85Å; P1846-R1858 HydrophobicContact CB-CB 4.09Å; P1846-R1858 CarbonylContact O-C 3.55Å; P1846-R1858 VanDerWaalsContact O-C 3.22Å; P1846-R1858 VanDerWaalsContact O-O 3.08Å; P1846-G1859 WeakPolarHBondContact O-CA 3.25Å; P1846-G1859 PolarHBondContact O-N 2.67Å; P1846-R1931 VanDerWaalsContact O-CZ 3.25Å; P1846-R1931 PolarHBondContact O-NH1 2.97Å; P1846-R1931 PolarHBondContact O-NH2 3.33Å
1847Q49.2Very low55.2Low37.2 Ų37.250.2 Ų50.217%0.17431%0.314CS..PPolyproline II helixtrans-70.9108.8-173.4-99.218016.400111.3S1794 Y1797 D1803 R1839 G1845 G1849 A1850 R1858 R1975 E2035S1794-Q1847 PolarHBondContact O-NE2 3.11Å; S1794-Q1847 PolarHBondContact O-OE1 3.15Å; S1794-Q1847 PolarHBondContact OG-OE1 3.29Å; Y1797-Q1847 PolarHBondContact O-NE2 3.41Å; D1803-Q1847 PolarHBondContact OD2-NE2 3.34Å; R1839-Q1847 VanDerWaalsContact NH2-CD 3.28Å; G1845-Q1847 PolarHBondContact O-N 3.39Å; Q1847-G1849 PolarHBondContact O-N 3.1Å; Q1847-A1850 WeakPolarHBondContact O-CB 3.22Å; Q1847-A1850 PolarHBondContact O-N 3.05Å; Q1847-R1858 VanDerWaalsContact C-CB 3.49Å; Q1847-R1858 WeakPolarHBondContact O-CB 3.4Å; Q1847-R1858 WeakPolarHBondContact O-CD 3.33Å; Q1847-R1858 PolarHBondContact O-NH1 2.96Å; Q1847-R1975 VanDerWaalsContact CB-NH1 3.33Å; Q1847-E2035 PolarHBondContact NE2-OE2 2.92Å
1848A37.8Very low53.5Low36.2 Ų36.250.5 Ų50.530%0.29931%0.313SS..THydrogen-bonded Turntrans-49.8128.6-17300000114.3A1795 P1846 R1858 R1931 R1975A1795-A1848 WeakPolarHBondContact CA-O 3.48Å; A1795-A1848 WeakPolarHBondContact CB-O 3.28Å; P1846-A1848 PolarHBondContact O-N 3.18Å; P1846-A1848 VanDerWaalsContact O-N 3.11Å; A1848-R1858 CarbonylContact C-O 3.53Å; A1848-R1858 WeakPolarHBondContact CA-O 3.31Å; A1848-R1858 WeakPolarHBondContact CB-O 3.32Å; A1848-R1858 PolarHBondContact N-O 3.28Å; A1848-R1858 WeakPolarHBondContact O-CA 3.46Å; A1848-R1858 WeakPolarHBondContact O-CB 3.23Å; A1848-R1858 WeakPolarHBondContact O-CG 3.45Å; A1848-R1858 PolarHBondContact O-N 2.77Å; A1848-R1931 HydrophobicContact CB-CG 4.07Å; A1848-R1975 VanDerWaalsContact O-CZ 3.24Å; A1848-R1975 PolarHBondContact O-NH1 2.78Å; A1848-R1975 PolarHBondContact O-NH2 3.1Å
1849G36.2Very low52Low42 Ų4249.2 Ų49.243%0.43330%0.3SS..THydrogen-bonded Turntrans121.7-55.1-178.100000114.3A1795 Q1847 L1851 R1858 G1859 R1931A1795-G1849 WeakPolarHBondContact O-CA 3.5Å; Q1847-G1849 PolarHBondContact O-N 3.1Å; G1849-L1851 VanDerWaalsContact C-N 3.35Å; G1849-L1851 PolarHBondContact O-N 3.19Å; G1849-L1851 VanDerWaalsContact O-N 3.09Å; G1849-R1858 VanDerWaalsContact C-N 3.33Å; G1849-R1858 CarbonylContact C-O 3.56Å; G1849-R1858 VanDerWaalsContact C-O 3.31Å; G1849-R1858 VanDerWaalsContact CA-N 3.31Å; G1849-R1858 WeakPolarHBondContact CA-O 3.29Å; G1849-R1858 PolarHBondContact N-O 2.81Å; G1849-R1858 CarbonylContact O-C 3.52Å; G1849-G1859 CarbonylContact O-C 3.57Å; G1849-R1931 VanDerWaalsContact N-NH2 3.15Å; G1849-R1931 PolarHBondContact O-NH1 2.69Å
1850A33.4Very low50.3Low26 Ų2646.8 Ų46.822%0.21530%0.303CS..  trans-79.7116.8173.500000111.3A1795 D1796 L1798 P1846 Q1847 V1852 I1857 R1858A1795-A1850 WeakPolarHBondContact O-CA 3.4Å; A1795-A1850 PolarHBondContact O-N 3.26Å; D1796-A1850 HydrophobicContact CB-CB 4.41Å; L1798-A1850 HydrophobicContact CD1-CB 3.81Å; P1846-A1850 HydrophobicContact CB-CB 3.84Å; Q1847-A1850 WeakPolarHBondContact O-CB 3.22Å; Q1847-A1850 PolarHBondContact O-N 3.05Å; A1850-V1852 HydrophobicContact CB-CG2 4.37Å; A1850-V1852 PolarHBondContact O-N 2.66Å; A1850-V1852 VanDerWaalsContact O-N 3.12Å; A1850-I1857 CarbonylContact C-O 3.53Å; A1850-I1857 WeakPolarHBondContact CA-O 3.29Å; A1850-I1857 VanDerWaalsContact N-C 3.35Å; A1850-I1857 PolarHBondContact N-O 3.04Å; A1850-I1857 VanDerWaalsContact O-CB 3.25Å; A1850-I1857 WeakPolarHBondContact O-CB 3.28Å; A1850-I1857 VanDerWaalsContact O-CD1 3.29Å; A1850-I1857 WeakPolarHBondContact O-CD1 3.21Å; A1850-I1857 WeakPolarHBondContact O-CG1 3.36Å; A1850-I1857 PolarHBondContact O-N 3.32Å; A1850-R1858 PolarHBondContact O-NE 3.4Å; A1850-R1858 PolarHBondContact O-NH2 2.71Å
1851L35.7Very low48.8Very low102.2 Ų102.246.9 Ų46.954%0.53531%0.306SS..  trans-93121.6163.2-79168.3000110.6L1814 G1849 Y1855 T1856 I1857L1814-L1851 HydrophobicContact CD2-CD1 4.13Å; G1849-L1851 VanDerWaalsContact C-N 3.35Å; G1849-L1851 PolarHBondContact O-N 3.19Å; G1849-L1851 VanDerWaalsContact O-N 3.09Å; L1851-Y1855 WeakPolarHBondContact CA-O 3.33Å; L1851-Y1855 HydrophobicContact CB-CD2 3.67Å; L1851-Y1855 HydrophobicContact CB-CE2 4.5Å; L1851-Y1855 HydrophobicContact CB-CG 3.74Å; L1851-Y1855 HydrophobicContact CD1-CD1 3.86Å; L1851-Y1855 HydrophobicContact CD1-CD2 4.25Å; L1851-Y1855 HydrophobicContact CD1-CE1 4.35Å; L1851-Y1855 HydrophobicContact CD1-CG 3.78Å; L1851-Y1855 HydrophobicContact CD2-CD2 3.91Å; L1851-Y1855 HydrophobicContact CD2-CE2 3.89Å; L1851-Y1855 HydrophobicContact CD2-CG 4.3Å; L1851-Y1855 VanDerWaalsContact CD2-O 3.29Å; L1851-Y1855 WeakPolarHBondContact CD2-O 3.05Å; L1851-Y1855 HydrophobicContact CG-CD2 4.15Å; L1851-Y1855 HydrophobicContact CG-CG 4.15Å; L1851-T1856 HydrophobicContact CD1-CG2 4.44Å; L1851-T1856 HydrophobicContact CD2-CG2 3.85Å; L1851-T1856 HydrophobicContact CG-CG2 4.23Å; L1851-I1857 PolarHBondContact N-O 3.45Å; L1851-I1857 VanDerWaalsContact N-O 3.15Å
1852V34.7Very low47.8Very low66.8 Ų66.847.8 Ų47.841%0.40531%0.309SS..BIsolated β-bridgetrans-121.7130.8174.6-177.60000108L1814 E1815 A1850 G1854 Y1855 I1857L1814-V1852 HydrophobicContact CB-CG1 4.02Å; L1814-V1852 HydrophobicContact CD2-CB 4.39Å; L1814-V1852 HydrophobicContact CD2-CG1 4.06Å; L1814-V1852 HydrophobicContact CD2-CG2 3.43Å; L1814-V1852 VanDerWaalsContact CD2-CG2 3.43Å; L1814-V1852 HydrophobicContact CG-CB 4.46Å; L1814-V1852 HydrophobicContact CG-CG1 3.96Å; L1814-V1852 HydrophobicContact CG-CG2 3.79Å; E1815-V1852 HydrophobicContact CG-CG1 4.2Å; A1850-V1852 HydrophobicContact CB-CG2 4.37Å; A1850-V1852 PolarHBondContact O-N 2.66Å; A1850-V1852 VanDerWaalsContact O-N 3.12Å; V1852-G1854 PolarHBondContact O-N 3.08Å; V1852-G1854 VanDerWaalsContact O-N 3.17Å; V1852-Y1855 PolarHBondContact N-O 3.12Å; V1852-Y1855 WeakPolarHBondContact O-CA 3.43Å; V1852-Y1855 PolarHBondContact O-N 2.95Å; V1852-I1857 HydrophobicContact CB-CD1 3.85Å; V1852-I1857 HydrophobicContact CB-CG1 4.07Å; V1852-I1857 HydrophobicContact CG1-CD1 4.31Å; V1852-I1857 HydrophobicContact CG2-CD1 3.84Å; V1852-I1857 HydrophobicContact CG2-CG1 3.84Å
1853G31.8Very low47.6Very low64.2 Ų64.246.9 Ų46.966%0.66230%0.302SS*.THydrogen-bonded Turntrans69.715.4-177.500000115.6Y1855G1853-Y1855 VanDerWaalsContact C-N 3.3Å; G1853-Y1855 VanDerWaalsContact O-CD2 3.28Å; G1853-Y1855 WeakPolarHBondContact O-CD2 3.23Å; G1853-Y1855 WeakPolarHBondContact O-CE2 3.45Å; G1853-Y1855 PolarHBondContact O-N 3.44Å
1854G32Very low47.6Very low59.2 Ų59.246.8 Ų46.861%0.6130%0.302SS*.THydrogen-bonded Turntrans97.5-1.5-177.300000115.4V1852V1852-G1854 PolarHBondContact O-N 3.08Å; V1852-G1854 VanDerWaalsContact O-N 3.17Å
1855Y31.1Very low47.9Very low123.6 Ų123.647 Ų4749%0.48530%0.303SS..BIsolated β-bridgetrans-98.9147.8-177.6-60.6-85.6000112.6P1252 L1851 V1852 G1853 I1857P1252-Y1855 HydrophobicContact CB-CD2 3.5Å; P1252-Y1855 VanDerWaalsContact CB-CD2 3.5Å; P1252-Y1855 HydrophobicContact CB-CE2 3.71Å; P1252-Y1855 HydrophobicContact CB-CG 4.04Å; P1252-Y1855 HydrophobicContact CG-CD1 3.93Å; P1252-Y1855 HydrophobicContact CG-CD2 3.62Å; P1252-Y1855 HydrophobicContact CG-CE1 4.17Å; P1252-Y1855 HydrophobicContact CG-CE2 3.88Å; P1252-Y1855 HydrophobicContact CG-CG 3.63Å; L1851-Y1855 WeakPolarHBondContact CA-O 3.33Å; L1851-Y1855 HydrophobicContact CB-CD2 3.67Å; L1851-Y1855 HydrophobicContact CB-CE2 4.5Å; L1851-Y1855 HydrophobicContact CB-CG 3.74Å; L1851-Y1855 HydrophobicContact CD1-CD1 3.86Å; L1851-Y1855 HydrophobicContact CD1-CD2 4.25Å; L1851-Y1855 HydrophobicContact CD1-CE1 4.35Å; L1851-Y1855 HydrophobicContact CD1-CG 3.78Å; L1851-Y1855 HydrophobicContact CD2-CD2 3.91Å; L1851-Y1855 HydrophobicContact CD2-CE2 3.89Å; L1851-Y1855 HydrophobicContact CD2-CG 4.3Å; L1851-Y1855 VanDerWaalsContact CD2-O 3.29Å; L1851-Y1855 WeakPolarHBondContact CD2-O 3.05Å; L1851-Y1855 HydrophobicContact CG-CD2 4.15Å; L1851-Y1855 HydrophobicContact CG-CG 4.15Å; V1852-Y1855 PolarHBondContact N-O 3.12Å; V1852-Y1855 WeakPolarHBondContact O-CA 3.43Å; V1852-Y1855 PolarHBondContact O-N 2.95Å; G1853-Y1855 VanDerWaalsContact C-N 3.3Å; G1853-Y1855 VanDerWaalsContact O-CD2 3.28Å; G1853-Y1855 WeakPolarHBondContact O-CD2 3.23Å; G1853-Y1855 WeakPolarHBondContact O-CE2 3.45Å; G1853-Y1855 PolarHBondContact O-N 3.44Å; Y1855-I1857 VanDerWaalsContact C-N 3.28Å; Y1855-I1857 WeakPolarHBondContact O-CG1 3.29Å; Y1855-I1857 PolarHBondContact O-N 3.25Å
1856T34.5Very low49Very low64 Ų6446.5 Ų46.539%0.39330%0.298SS..  trans-73.8103.5175.5480000111.3L1814 E1815 L1851 R1858L1814-T1856 PolarHBondContact O-OG1 3.19Å; L1814-T1856 VanDerWaalsContact O-OG1 3.06Å; E1815-T1856 VanDerWaalsContact CA-OG1 3.24Å; E1815-T1856 WeakPolarHBondContact CA-OG1 3.11Å; E1815-T1856 HydrophobicContact CB-CG2 4.45Å; E1815-T1856 PolarHBondContact N-OG1 2.79Å; E1815-T1856 WeakPolarHBondContact O-CG2 3.28Å; L1851-T1856 HydrophobicContact CD1-CG2 4.44Å; L1851-T1856 HydrophobicContact CD2-CG2 3.85Å; L1851-T1856 HydrophobicContact CG-CG2 4.23Å; T1856-R1858 VanDerWaalsContact C-N 3.32Å; T1856-R1858 WeakPolarHBondContact O-CG 3.32Å; T1856-R1858 PolarHBondContact O-N 3.15Å
1857I40.3Very low50.4Low66.4 Ų66.450 Ų5034%0.34131%0.311SS..  trans-68115170.4-49179.1000108.8I1254 L1814 P1846 A1850 L1851 V1852 Y1855 G1859 S1860 R1931I1254-I1857 HydrophobicContact CD1-CD1 3.68Å; I1254-I1857 HydrophobicContact CD1-CG1 4.29Å; I1254-I1857 HydrophobicContact CD1-CG2 4.13Å; I1254-I1857 HydrophobicContact CG1-CD1 4.13Å; L1814-I1857 HydrophobicContact CD1-CD1 4.34Å; L1814-I1857 HydrophobicContact CG-CD1 3.95Å; L1814-I1857 WeakPolarHBondContact O-CD1 3.45Å; P1846-I1857 HydrophobicContact CB-CG2 3.75Å; P1846-I1857 HydrophobicContact CG-CG2 3.85Å; A1850-I1857 CarbonylContact C-O 3.53Å; A1850-I1857 WeakPolarHBondContact CA-O 3.29Å; A1850-I1857 VanDerWaalsContact N-C 3.35Å; A1850-I1857 PolarHBondContact N-O 3.04Å; A1850-I1857 VanDerWaalsContact O-CB 3.25Å; A1850-I1857 WeakPolarHBondContact O-CB 3.28Å; A1850-I1857 VanDerWaalsContact O-CD1 3.29Å; A1850-I1857 WeakPolarHBondContact O-CD1 3.21Å; A1850-I1857 WeakPolarHBondContact O-CG1 3.36Å; A1850-I1857 PolarHBondContact O-N 3.32Å; L1851-I1857 PolarHBondContact N-O 3.45Å; L1851-I1857 VanDerWaalsContact N-O 3.15Å; V1852-I1857 HydrophobicContact CB-CD1 3.85Å; V1852-I1857 HydrophobicContact CB-CG1 4.07Å; V1852-I1857 HydrophobicContact CG1-CD1 4.31Å; V1852-I1857 HydrophobicContact CG2-CD1 3.84Å; V1852-I1857 HydrophobicContact CG2-CG1 3.84Å; Y1855-I1857 VanDerWaalsContact C-N 3.28Å; Y1855-I1857 WeakPolarHBondContact O-CG1 3.29Å; Y1855-I1857 PolarHBondContact O-N 3.25Å; I1857-G1859 PolarHBondContact O-N 3.19Å; I1857-S1860 WeakPolarHBondContact O-CB 3.45Å; I1857-S1860 PolarHBondContact O-N 2.92Å; I1857-R1931 VanDerWaalsContact CG2-NH1 3.29Å
1858R37.6Very low52.1Low91.6 Ų91.649.8 Ų49.835%0.34631%0.313SS..THydrogen-bonded Turntrans-75.197.2-179.8-62178.9149.3-148.6-0.4110.8A1795 D1803 P1846 Q1847 A1848 G1849 A1850 T1856 S1860 R1931 R1975A1795-R1858 VanDerWaalsContact O-CZ 3.29Å; A1795-R1858 PolarHBondContact O-NH1 3.49Å; A1795-R1858 PolarHBondContact O-NH2 3.42Å; A1795-R1858 VanDerWaalsContact O-NH2 3.15Å; D1803-R1858 WeakPolarHBondContact OD1-CD 3.43Å; D1803-R1858 IonicContact OD1-CZ 3.13Å; D1803-R1858 IonicContact OD1-NE 2.95Å; D1803-R1858 PolarHBondContact OD1-NE 3.33Å; D1803-R1858 IonicContact OD1-NH1 3.16Å; D1803-R1858 IonicContact OD1-NH2 3.6Å; D1803-R1858 PolarHBondContact OD1-NH2 2.93Å; D1803-R1858 IonicContact OD2-CZ 2.79Å; D1803-R1858 VanDerWaalsContact OD2-CZ 3.31Å; D1803-R1858 IonicContact OD2-NE 2.71Å; D1803-R1858 IonicContact OD2-NH1 3.57Å; D1803-R1858 PolarHBondContact OD2-NH1 3.36Å; D1803-R1858 IonicContact OD2-NH2 3.59Å; D1803-R1858 PolarHBondContact OD2-NH2 2.87Å; P1846-R1858 HydrophobicContact CB-CB 4.09Å; P1846-R1858 CarbonylContact O-C 3.55Å; P1846-R1858 VanDerWaalsContact O-C 3.22Å; P1846-R1858 VanDerWaalsContact O-O 3.08Å; Q1847-R1858 VanDerWaalsContact C-CB 3.49Å; Q1847-R1858 WeakPolarHBondContact O-CB 3.4Å; Q1847-R1858 WeakPolarHBondContact O-CD 3.33Å; Q1847-R1858 PolarHBondContact O-NH1 2.96Å; A1848-R1858 CarbonylContact C-O 3.53Å; A1848-R1858 WeakPolarHBondContact CA-O 3.31Å; A1848-R1858 WeakPolarHBondContact CB-O 3.32Å; A1848-R1858 PolarHBondContact N-O 3.28Å; A1848-R1858 WeakPolarHBondContact O-CA 3.46Å; A1848-R1858 WeakPolarHBondContact O-CB 3.23Å; A1848-R1858 WeakPolarHBondContact O-CG 3.45Å; A1848-R1858 PolarHBondContact O-N 2.77Å; G1849-R1858 VanDerWaalsContact C-N 3.33Å; G1849-R1858 CarbonylContact C-O 3.56Å; G1849-R1858 VanDerWaalsContact C-O 3.31Å; G1849-R1858 VanDerWaalsContact CA-N 3.31Å; G1849-R1858 WeakPolarHBondContact CA-O 3.29Å; G1849-R1858 PolarHBondContact N-O 2.81Å; G1849-R1858 CarbonylContact O-C 3.52Å; A1850-R1858 PolarHBondContact O-NE 3.4Å; A1850-R1858 PolarHBondContact O-NH2 2.71Å; T1856-R1858 VanDerWaalsContact C-N 3.32Å; T1856-R1858 WeakPolarHBondContact O-CG 3.32Å; T1856-R1858 PolarHBondContact O-N 3.15Å; R1858-S1860 VanDerWaalsContact C-N 3.28Å; R1858-S1860 PolarHBondContact O-N 3.07Å; R1858-R1931 PolarHBondContact O-NH1 3.12Å; R1858-R1975 PolarHBondContact O-NH2 2.95Å
1859G41.1Very low54Low10.8 Ų10.852 Ų5211%0.11132%0.315CS..  trans60.164172.600000114.5P1846 G1849 I1857 G1861 R1931P1846-G1859 WeakPolarHBondContact O-CA 3.25Å; P1846-G1859 PolarHBondContact O-N 2.67Å; G1849-G1859 CarbonylContact O-C 3.57Å; I1857-G1859 PolarHBondContact O-N 3.19Å; G1859-G1861 PolarHBondContact O-N 3.18Å; G1859-G1861 VanDerWaalsContact O-N 3.13Å; G1859-R1931 VanDerWaalsContact O-CD 3.3Å; G1859-R1931 WeakPolarHBondContact O-CD 3.44Å; G1859-R1931 PolarHBondContact O-NH1 2.98Å
1860S43.7Very low55.2Low76.2 Ų76.260.7 Ų60.753%0.53334%0.335SS..  trans-69.30.5175.3-1660000112.7I1857 R1858 I1862I1857-S1860 WeakPolarHBondContact O-CB 3.45Å; I1857-S1860 PolarHBondContact O-N 2.92Å; R1858-S1860 VanDerWaalsContact C-N 3.28Å; R1858-S1860 PolarHBondContact O-N 3.07Å; S1860-I1862 PolarHBondContact O-N 3.19Å
1861G52.3Low55.8Low21.4 Ų21.464.1 Ų64.122%0.22135%0.348CS..  trans-87.4133174.500000112.6G1859 G1863 R1931G1859-G1861 PolarHBondContact O-N 3.18Å; G1859-G1861 VanDerWaalsContact O-N 3.13Å; G1861-G1863 PolarHBondContact O-N 2.92Å; G1861-R1931 WeakPolarHBondContact O-CB 3.46Å; G1861-R1931 WeakPolarHBondContact O-CD 3.47Å; G1861-R1931 PolarHBondContact O-NH1 2.84Å
1862I63.7Low55.8Low55.6 Ų55.666.5 Ų66.529%0.28536%0.361SS..  trans-61.6-21.7171.3-106.3144.1000112.4K1837 S1860 L1930 R1931 R1932K1837-I1862 HydrophobicContact CD-CG1 4.13Å; K1837-I1862 HydrophobicContact CD-CG2 3.91Å; K1837-I1862 HydrophobicContact CG-CG2 4.19Å; S1860-I1862 PolarHBondContact O-N 3.19Å; I1862-L1930 HydrophobicContact CG1-CB 4.46Å; I1862-L1930 CarbonylContact O-C 3.47Å; I1862-L1930 VanDerWaalsContact O-CA 3.25Å; I1862-L1930 WeakPolarHBondContact O-CA 3.38Å; I1862-L1930 WeakPolarHBondContact O-CB 3.39Å; I1862-L1930 WeakPolarHBondContact O-CD2 3.31Å; I1862-R1931 WeakPolarHBondContact CA-O 3.43Å; I1862-R1931 WeakPolarHBondContact CD1-O 3.41Å; I1862-R1931 VanDerWaalsContact CG1-O 3.24Å; I1862-R1931 WeakPolarHBondContact CG1-O 3.28Å; I1862-R1931 PolarHBondContact O-N 3.24Å; I1862-R1932 HydrophobicContact CD1-CB 4.18Å; I1862-R1932 WeakPolarHBondContact CD1-O 3.39Å
1863G75.8Confident55.5Low0.6 Ų0.668.8 Ų68.81%0.00638%0.379CS..  trans101.6-160.1-166.600000111.5G1838 S1842 G1861 L2031G1838-G1863 WeakPolarHBondContact CA-O 3.28Å; S1842-G1863 WeakPolarHBondContact CB-O 3.4Å; G1861-G1863 PolarHBondContact O-N 2.92Å; G1863-L2031 CarbonylContact C-O 3.56Å; G1863-L2031 VanDerWaalsContact CA-O 3.25Å; G1863-L2031 WeakPolarHBondContact CA-O 3.26Å
1864V85Confident55.5Low0 Ų071.7 Ų71.70%039%0.386CS..EExtended strand (participates in β ladder)trans-129.9145.2173.575.20000111.1P1835 K1837 R1839 I1843 V1866 I1912 A2030 L2031P1835-V1864 HydrophobicContact CB-CG2 3.59Å; P1835-V1864 HydrophobicContact CG-CG2 4.09Å; K1837-V1864 CarbonylContact O-C 3.53Å; K1837-V1864 VanDerWaalsContact O-CA 3.29Å; K1837-V1864 WeakPolarHBondContact O-CA 3.36Å; K1837-V1864 WeakPolarHBondContact O-CG2 3.34Å; R1839-V1864 WeakPolarHBondContact O-CB 3.37Å; I1843-V1864 HydrophobicContact CB-CG1 4.2Å; I1843-V1864 HydrophobicContact CG2-CB 4.2Å; I1843-V1864 HydrophobicContact CG2-CG1 3.39Å; I1843-V1864 VanDerWaalsContact CG2-CG1 3.42Å; V1864-V1866 HydrophobicContact CG1-CG2 4.22Å; V1864-V1866 HydrophobicContact CG2-CG2 3.93Å; V1864-I1912 HydrophobicContact CG1-CD1 3.6Å; V1864-A2030 WeakPolarHBondContact O-CA 3.39Å; V1864-L2031 PolarHBondContact N-O 3.18Å; V1864-L2031 PolarHBondContact O-N 3.13Å
1865V87.7Confident55.3Low5.2 Ų5.277.3 Ų77.33%0.03240%0.402CS..EExtended strand (participates in β ladder)trans-120116.7169-179.60000109.5P1835 V1836 K1837 L1930 L1940 Q2028 L2029 A2030P1835-V1865 CarbonylContact C-O 3.55Å; P1835-V1865 WeakPolarHBondContact CA-O 3.29Å; P1835-V1865 VanDerWaalsContact CB-O 3.32Å; P1835-V1865 WeakPolarHBondContact CB-O 3.41Å; V1836-V1865 HydrophobicContact CB-CB 4.11Å; V1836-V1865 HydrophobicContact CB-CG1 3.96Å; V1836-V1865 HydrophobicContact CG2-CG1 4.12Å; V1836-V1865 PolarHBondContact N-O 3.23Å; K1837-V1865 HydrophobicContact CB-CB 4.13Å; K1837-V1865 HydrophobicContact CB-CG2 4.02Å; K1837-V1865 PolarHBondContact O-N 3.11Å; V1865-L1930 HydrophobicContact CG2-CD1 3.64Å; V1865-L1930 HydrophobicContact CG2-CD2 4.09Å; V1865-L1930 HydrophobicContact CG2-CG 4.45Å; V1865-L1940 HydrophobicContact CG1-CD1 4.25Å; V1865-L1940 HydrophobicContact CG2-CD1 4.24Å; V1865-Q2028 HydrophobicContact CG1-CB 4.17Å; V1865-Q2028 HydrophobicContact CG1-CG 4.41Å; V1865-L2029 CarbonylContact C-O 3.54Å; V1865-L2029 WeakPolarHBondContact CA-O 3.42Å; V1865-A2030 HydrophobicContact CG2-CB 3.99Å
1866V88.7Confident55.2Low0 Ų074.4 Ų74.40%041%0.41CS..EExtended strand (participates in β ladder)trans-111.8139.7-175.6178.40000110.5A1830 S1831 P1835 V1864 A1910 I1912 Q2028 L2029A1830-V1866 HydrophobicContact CB-CG1 4.13Å; A1830-V1866 HydrophobicContact CB-CG2 3.99Å; S1831-V1866 WeakPolarHBondContact OG-CG1 3.41Å; P1835-V1866 HydrophobicContact CB-CG2 4.39Å; V1864-V1866 HydrophobicContact CG1-CG2 4.22Å; V1864-V1866 HydrophobicContact CG2-CG2 3.93Å; V1866-A1910 HydrophobicContact CG1-CB 4.41Å; V1866-I1912 HydrophobicContact CB-CG1 4.47Å; V1866-I1912 HydrophobicContact CG2-CD1 3.86Å; V1866-I1912 HydrophobicContact CG2-CG1 3.86Å; V1866-Q2028 CarbonylContact O-C 3.53Å; V1866-Q2028 VanDerWaalsContact O-CA 3.29Å; V1866-Q2028 WeakPolarHBondContact O-CA 3.28Å; V1866-Q2028 WeakPolarHBondContact O-CB 3.26Å; V1866-L2029 HydrophobicContact CB-CB 4.5Å; V1866-L2029 PolarHBondContact N-O 3.13Å; V1866-L2029 PolarHBondContact O-N 3.24Å
1867K86.3Confident55Low100.4 Ų100.476.4 Ų76.444%0.43743%0.427SS..  trans-101.7157.9174.9-84.9169.1-179.8162.60111S1831 T1832 V1836 Q2028S1831-K1867 PolarHBondContact OG-O 3.4Å; T1832-K1867 HydrophobicContact CG2-CB 4.42Å; T1832-K1867 VanDerWaalsContact CG2-O 3.29Å; T1832-K1867 WeakPolarHBondContact CG2-O 3.42Å; V1836-K1867 HydrophobicContact CG2-CB 4.42Å; V1836-K1867 HydrophobicContact CG2-CD 3.51Å; V1836-K1867 VanDerWaalsContact CG2-CD 3.5Å; V1836-K1867 VanDerWaalsContact CG2-CE 3.47Å; V1836-K1867 HydrophobicContact CG2-CG 3.6Å; K1867-Q2028 HydrophobicContact CG-CG 4Å
1868P84.2Confident54.4Low33.8 Ų33.881 Ų8122%0.21945%0.452CS..PPolyproline II helixtrans-60.1144.3164-19.432.4000111.2R1870 T1908 A1910 K2027P1868-R1870 PolarHBondContact O-N 3.18Å; P1868-T1908 VanDerWaalsContact CA-O 3.24Å; P1868-T1908 WeakPolarHBondContact CA-O 3.33Å; P1868-T1908 VanDerWaalsContact CB-O 3.26Å; P1868-T1908 WeakPolarHBondContact CB-O 3.43Å; P1868-A1910 HydrophobicContact CG-CB 4.21Å; P1868-K2027 VanDerWaalsContact CD-O 3.3Å; P1868-K2027 WeakPolarHBondContact CD-O 3.39Å; P1868-K2027 HydrophobicContact CG-CB 3.97Å; P1868-K2027 VanDerWaalsContact CG-O 3.23Å; P1868-K2027 WeakPolarHBondContact CG-O 3.43Å
1869K78.4Confident54.3Low81.6 Ų81.685 Ų8536%0.35547%0.474SS..PPolyproline II helixtrans-78.6116.3177.1-174.1-177.6172.3-173.70109.7S1831 T1832 M1871 T1908 Y2058S1831-K1869 VanDerWaalsContact O-CB 3.29Å; S1831-K1869 WeakPolarHBondContact O-CB 3.35Å; S1831-K1869 WeakPolarHBondContact O-CD 3.13Å; T1832-K1869 HydrophobicContact CG2-CB 4.31Å; K1869-M1871 HydrophobicContact CD-SD 4.46Å; K1869-M1871 PolarHBondContact O-N 3.33Å; K1869-M1871 VanDerWaalsContact O-N 3.14Å; K1869-T1908 PolarHBondContact N-O 3.22Å; K1869-T1908 WeakPolarHBondContact O-CB 3.38Å; K1869-T1908 VanDerWaalsContact O-CG2 3.27Å; K1869-T1908 WeakPolarHBondContact O-CG2 3.42Å; K1869-T1908 PolarHBondContact O-OG1 2.81Å; K1869-T1908 VanDerWaalsContact O-OG1 3.07Å; K1869-Y2058 HydrophobicContact CD-CE1 3.95Å; K1869-Y2058 HydrophobicContact CD-CE2 4.05Å; K1869-Y2058 VanDerWaalsContact CD-CZ 3.45Å; K1869-Y2058 VanDerWaalsContact CD-OH 3.28Å; K1869-Y2058 WeakPolarHBondContact CD-OH 3.34Å
1870R61.4Low53.7Low225.2 Ų225.291.9 Ų91.985%0.8551%0.509SS*.PPolyproline II helixtrans-73.7128.7169.8-67.1-174.2178.2-164.2-1.3109.6P1868P1868-R1870 PolarHBondContact O-N 3.18Å
1871M45.8Very low53.2Low97.4 Ų97.497.2 Ų97.248%0.4853%0.525SS..PPolyproline II helixtrans-88.2155.9163.9-62.9-133.4-167.800109.2K1869 E1907 T1908 Y2058K1869-M1871 HydrophobicContact CD-SD 4.46Å; K1869-M1871 PolarHBondContact O-N 3.33Å; K1869-M1871 VanDerWaalsContact O-N 3.14Å; M1871-E1907 VanDerWaalsContact CE-CD 3.48Å; M1871-E1907 HydrophobicContact CE-CG 4.47Å; M1871-E1907 WeakPolarHBondContact CE-OE2 3.44Å; M1871-T1908 HydrophobicContact CE-CG2 3.86Å; M1871-T1908 HydrophobicContact CG-CG2 3.96Å; M1871-T1908 HydrophobicContact SD-CG2 4.07Å; M1871-Y2058 HydrophobicContact CE-CD1 4.14Å; M1871-Y2058 HydrophobicContact CE-CE1 4.36Å
1872N36Very low52.2Low153.2 Ų153.2100.6 Ų100.682%0.81955%0.545SS*.  trans60.471.4178.1-57.8-1.9000116.8
1873C27.3Very low50.6Low115.4 Ų115.4108.5 Ų108.578%0.7857%0.571SS**  trans-101.7133.5132.1-66.10000107
1874P33.4Very low48.6Very low123.2 Ų123.2112.2 Ų112.280%0.861%0.61SS**  trans-67.9151.6178.19.9-8.3000111.7G1876P1874-G1876 PolarHBondContact O-N 3.24Å; P1874-G1876 VanDerWaalsContact O-N 3.14Å
1875N27.1Very low46.2Very low177.8 Ų177.8122.1 Ų122.195%0.95165%0.653SS**  trans-65.3109.6171.4-69.1-20.6000109.7
1876G29.2Very low43.5Very low63 Ų63131.6 Ų131.665%0.64969%0.694SS**  trans-141.3108.817800000111.2P1874P1874-G1876 PolarHBondContact O-N 3.24Å; P1874-G1876 VanDerWaalsContact O-N 3.14Å
1877S30.7Very low40.9Very low106.6 Ų106.6136.9 Ų136.975%0.74573%0.731SS**  trans28129.7148.258.10000118.2Q1879S1877-Q1879 PolarHBondContact O-N 3.11Å
1878N27.6Very low38.3Very low162.8 Ų162.8140 Ų14087%0.87175%0.749SS**  trans-40.5123.4154.2-50.4-25000111.5
1879Q35.1Very low35.8Very low173.8 Ų173.8142.7 Ų142.781%0.81277%0.768SS**  trans-143.2142.9146.6-74.5-153.9-400109.8S1877S1877-Q1879 PolarHBondContact O-N 3.11Å
1880N28.4Very low33.7Very low157.4 Ų157.4145.5 Ų145.584%0.84279%0.787SS**  trans-86.8136.4171.9-57.9-57.2000108.3
1881E32.6Very low32.5Very low187.4 Ų187.4143.9 Ų143.988%0.87679%0.79SS**  trans-148114.9165.2-106.4174.9-154.800112.8R1883E1881-R1883 PolarHBondContact O-N 3.41Å
1882S32.3Very low31.7Very low91.2 Ų91.2148.3 Ų148.364%0.63881%0.806SS**  trans-110.6144177.660.70000112G1884 R2578S1882-G1884 PolarHBondContact O-N 3.12Å; S1882-G1884 VanDerWaalsContact O-N 3.15Å; S1882-R2578 PolarHBondContact O-NH1 3.05Å
1883R29.5Very low31.5Very low222 Ų222145.8 Ų145.884%0.83880%0.801SS**  trans45109167.6-57.8168.8-179.6174.3-0.8116.3E1881E1881-R1883 PolarHBondContact O-N 3.41Å
1884G33.2Very low31.5Very low79.8 Ų79.8144.7 Ų144.782%0.82379%0.794SS**  trans-142.6121.3164.700000112.1S1882S1882-G1884 PolarHBondContact O-N 3.12Å; S1882-G1884 VanDerWaalsContact O-N 3.15Å
1885K34.5Very low31.3Very low207 Ų207146.8 Ų146.890%0.979%0.793SS**  trans-101.8143.7177.5-76.4179.4178.5172.10111.3
1886K32Very low31.4Very low205.6 Ų205.6144.1 Ų144.189%0.89478%0.783SS**  trans13.8142.3155.9-68179.8175.2-175.30114
1887S32.9Very low31.4Very low109.4 Ų109.4146.2 Ų146.277%0.76579%0.788SS**  -165.3155.2127.6-1370000111.4
1888M32.1Very low31.2Very low167.4 Ų167.4150.7 Ų150.783%0.82579%0.794SS**  trans-78153.2130.4-78.3162.362.100112.1
1889S32.4Very low31.3Very low89.6 Ų89.6147.4 Ų147.463%0.62778%0.784SS**  cis-170.8163.237.253.80000112.6
1890D33.7Very low30.9Very low140.4 Ų140.4145.4 Ų145.475%0.75178%0.784SS**  trans28.8131152.5-47.4-57.5000119
1891Q36.7Very low31.1Very low191.8 Ų191.8142.8 Ų142.890%0.89677%0.774SS**  -170.2158.5103.2-89.8172.847.800114.6
1892K29.4Very low30.9Very low189.8 Ų189.8140.5 Ų140.583%0.82577%0.767SS**  trans-96.4132.7-178.1-81.3176.6175.5175.90111.1R2578 R2579K1892-R2578 VanDerWaalsContact CE-O 3.23Å; K1892-R2578 WeakPolarHBondContact CE-O 3.24Å; K1892-R2578 PolarHBondContact NZ-O 3.42Å; K1892-R2579 PolarHBondContact NZ-O 2.86Å
1893S30.4Very low31Very low101.2 Ų101.2141.8 Ų141.871%0.70877%0.766SS**  trans177.9159145.961.70000115.4R2576S1893-R2576 PolarHBondContact O-NH1 3.47Å
1894S29.3Very low31.4Very low91.6 Ų91.6136.3 Ų136.364%0.64175%0.753SS**  trans48.2116.2153.959.70000120.4T1896 R2576S1894-T1896 PolarHBondContact O-N 2.93Å; S1894-R2576 PolarHBondContact O-NH1 2.81Å; S1894-R2576 PolarHBondContact O-NH2 2.89Å
1895H27.7Very low31.9Very low167.6 Ų167.6140.7 Ų140.778%0.77675%0.752SS**  trans7.7119.9139.9-61-86.4000116.5
1896T30.3Very low32.4Very low121 Ų121136.6 Ų136.674%0.74274%0.74SS**  trans-144.3124.4151.946.20000110S1894S1894-T1896 PolarHBondContact O-N 2.93Å
1897S28.4Very low33.5Very low107.8 Ų107.8129.8 Ų129.875%0.75471%0.711SS**  trans-53.7121.5139.1-540000110.8S1899S1897-S1899 VanDerWaalsContact C-N 3.26Å; S1897-S1899 PolarHBondContact O-N 2.92Å
1898F27.7Very low35.2Very low200 Ų200126.7 Ų126.788%0.87769%0.688SS**  trans-119.9117.6167.5-82.8-75.5000112T1900F1898-T1900 PolarHBondContact O-N 2.85Å
1899S29.2Very low37.7Very low93.8 Ų93.8120.9 Ų120.966%0.65666%0.659SS**  trans17.1103.4154.9-1760000115.6S1897 V1901S1897-S1899 VanDerWaalsContact C-N 3.26Å; S1897-S1899 PolarHBondContact O-N 2.92Å; S1899-V1901 PolarHBondContact O-N 3.09Å; S1899-V1901 VanDerWaalsContact O-N 3.08Å; S1899-V1901 WeakPolarHBondContact OG-CG2 3.43Å
1900T26.9Very low40.5Very low132.4 Ų132.4116.6 Ų116.681%0.81263%0.629SS**  trans-64.694.1154.7-53.90000108.7F1898 N1902F1898-T1900 PolarHBondContact O-N 2.85Å; T1900-N1902 PolarHBondContact O-N 2.92Å
1901V32.4Very low43.3Very low102.8 Ų102.8110.5 Ų110.562%0.62360%0.595SS**  trans-77.9119.2167.6-179.20000107.4S1899 I1903S1899-V1901 PolarHBondContact O-N 3.09Å; S1899-V1901 VanDerWaalsContact O-N 3.08Å; S1899-V1901 WeakPolarHBondContact OG-CG2 3.43Å; V1901-I1903 HydrophobicContact CG1-CG1 4.4Å; V1901-I1903 WeakPolarHBondContact O-CG1 3.37Å; V1901-I1903 PolarHBondContact O-N 3.32Å; V1901-I1903 VanDerWaalsContact O-N 3.09Å
1902N28.9Very low46.1Very low138 Ų138101.3 Ų101.374%0.73855%0.552SS**  trans-60.8107.9175.9-69.8-15.5000109.6T1900 N1904T1900-N1902 PolarHBondContact O-N 2.92Å; N1902-N1904 PolarHBondContact O-N 3.21Å; N1902-N1904 VanDerWaalsContact O-N 3.14Å; N1902-N1904 PolarHBondContact O-OD1 3.09Å
1903I33.7Very low49.2Very low118.4 Ų118.492.3 Ų92.361%0.60751%0.513SS*.  trans-83.8110.8176-58.2178.2000107.6V1901 E1905 E1907 T1908V1901-I1903 HydrophobicContact CG1-CG1 4.4Å; V1901-I1903 WeakPolarHBondContact O-CG1 3.37Å; V1901-I1903 PolarHBondContact O-N 3.32Å; V1901-I1903 VanDerWaalsContact O-N 3.09Å; I1903-E1905 VanDerWaalsContact C-N 3.34Å; I1903-E1905 PolarHBondContact O-N 3.07Å; I1903-E1907 HydrophobicContact CG2-CG 4.4Å; I1903-T1908 HydrophobicContact CG2-CG2 3.64Å; I1903-T1908 VanDerWaalsContact CG2-CG2 3.41Å
1904N37.9Very low52.3Low107.6 Ų107.687.5 Ų87.558%0.57548%0.48SS*.  trans-67.8103.3174.2-66.3-20.8000109.9N1902 N1906 E1907N1902-N1904 PolarHBondContact O-N 3.21Å; N1902-N1904 VanDerWaalsContact O-N 3.14Å; N1902-N1904 PolarHBondContact O-OD1 3.09Å; N1904-N1906 PolarHBondContact O-N 3.23Å; N1904-N1906 VanDerWaalsContact O-N 3.08Å; N1904-N1906 PolarHBondContact O-ND2 2.84Å; N1904-E1907 HydrophobicContact CB-CG 4.33Å; N1904-E1907 PolarHBondContact O-N 2.98Å
1905E44Very low55.5Low171.8 Ų171.883.2 Ų83.280%0.80345%0.449SS*.G310 helixtrans-12.1-27.2174.6-59.3-177.6149.800116.2I1903 E1907 T1908 H1909I1903-E1905 VanDerWaalsContact C-N 3.34Å; I1903-E1905 PolarHBondContact O-N 3.07Å; E1905-E1907 VanDerWaalsContact C-N 3.29Å; E1905-E1907 PolarHBondContact O-N 2.96Å; E1905-E1907 VanDerWaalsContact O-N 3.09Å; E1905-T1908 PolarHBondContact O-N 3.18Å; E1905-T1908 VanDerWaalsContact O-N 3.09Å; E1905-T1908 PolarHBondContact O-OG1 3.16Å; E1905-H1909 PolarHBondContact O-CD2 3.19Å; E1905-H1909 PolarHBondContact O-NE2 3.11Å
1906N44.9Very low58.6Low120.6 Ų120.675.2 Ų75.265%0.64541%0.412SS*.G310 helixtrans-66.1-0.2176.6-77.3-53.2000113.8N1904 T1908 Q2017N1904-N1906 PolarHBondContact O-N 3.23Å; N1904-N1906 VanDerWaalsContact O-N 3.08Å; N1904-N1906 PolarHBondContact O-ND2 2.84Å; N1906-T1908 VanDerWaalsContact C-N 3.28Å; N1906-T1908 PolarHBondContact O-N 3.35Å; N1906-Q2017 PolarHBondContact OD1-NE2 2.88Å
1907E54.6Low61.5Low62 Ų6269.4 Ų69.429%0.2938%0.377SS..G310 helixtrans-78.627.8-174-65.5-169.5152.200113.1M1871 I1903 N1904 E1905 H1909 K2027 S2061M1871-E1907 VanDerWaalsContact CE-CD 3.48Å; M1871-E1907 HydrophobicContact CE-CG 4.47Å; M1871-E1907 WeakPolarHBondContact CE-OE2 3.44Å; I1903-E1907 HydrophobicContact CG2-CG 4.4Å; N1904-E1907 HydrophobicContact CB-CG 4.33Å; N1904-E1907 PolarHBondContact O-N 2.98Å; E1905-E1907 VanDerWaalsContact C-N 3.29Å; E1905-E1907 PolarHBondContact O-N 2.96Å; E1905-E1907 VanDerWaalsContact O-N 3.09Å; E1907-H1909 PolarHBondContact O-CD2 3.25Å; E1907-H1909 PolarHBondContact O-N 3.18Å; E1907-K2027 IonicContact OE1-NZ 3.8Å; E1907-K2027 PolarHBondContact OE1-NZ 3.17Å; E1907-K2027 IonicContact OE2-NZ 3.03Å; E1907-K2027 PolarHBondContact OE2-NZ 3.05Å; E1907-S2061 VanDerWaalsContact OE1-CB 3.3Å; E1907-S2061 WeakPolarHBondContact OE1-CB 3.36Å; E1907-S2061 PolarHBondContact OE1-OG 3.37Å
1908T67.7Low64.5Low44.4 Ų44.464.3 Ų64.327%0.27234%0.341SS..G310 helixtrans-78.539.2177.366.70000113.6P1868 K1869 M1871 I1903 E1905 N1906P1868-T1908 VanDerWaalsContact CA-O 3.24Å; P1868-T1908 WeakPolarHBondContact CA-O 3.33Å; P1868-T1908 VanDerWaalsContact CB-O 3.26Å; P1868-T1908 WeakPolarHBondContact CB-O 3.43Å; K1869-T1908 PolarHBondContact N-O 3.22Å; K1869-T1908 WeakPolarHBondContact O-CB 3.38Å; K1869-T1908 VanDerWaalsContact O-CG2 3.27Å; K1869-T1908 WeakPolarHBondContact O-CG2 3.42Å; K1869-T1908 PolarHBondContact O-OG1 2.81Å; K1869-T1908 VanDerWaalsContact O-OG1 3.07Å; M1871-T1908 HydrophobicContact CE-CG2 3.86Å; M1871-T1908 HydrophobicContact CG-CG2 3.96Å; M1871-T1908 HydrophobicContact SD-CG2 4.07Å; I1903-T1908 HydrophobicContact CG2-CG2 3.64Å; I1903-T1908 VanDerWaalsContact CG2-CG2 3.41Å; E1905-T1908 PolarHBondContact O-N 3.18Å; E1905-T1908 VanDerWaalsContact O-N 3.09Å; E1905-T1908 PolarHBondContact O-OG1 3.16Å; N1906-T1908 VanDerWaalsContact C-N 3.28Å; N1906-T1908 PolarHBondContact O-N 3.35Å
1909H86Confident67.5Low46.6 Ų46.655.8 Ų55.822%0.21630%0.304CS..SBendtrans-95.2153.9-176-63-88.2000113.3E1905 E1907 Q2017 T2018 T2019E1905-H1909 PolarHBondContact O-CD2 3.19Å; E1905-H1909 PolarHBondContact O-NE2 3.11Å; E1907-H1909 PolarHBondContact O-CD2 3.25Å; E1907-H1909 PolarHBondContact O-N 3.18Å; H1909-Q2017 HydrophobicContact CB-CG 3.82Å; H1909-Q2017 PolarHBondContact CD2-NE2 2.84Å; H1909-T2018 VanDerWaalsContact CB-O 3.29Å; H1909-T2018 WeakPolarHBondContact CB-O 3.44Å; H1909-T2018 VanDerWaalsContact CG-O 3.27Å; H1909-T2018 PolarHBondContact ND1-O 2.97Å; H1909-T2019 PolarHBondContact CE1-O 3.35Å; H1909-T2019 VanDerWaalsContact CE1-O 3.32Å
1910A90.9Very high70.6Confident0 Ų051.3 Ų51.30%027%0.273CS..  trans-80.9134.3171.100000109.4S1831 V1866 P1868 Q2017 T2018 L2029S1831-A1910 WeakPolarHBondContact OG-CA 3.25Å; V1866-A1910 HydrophobicContact CG1-CB 4.41Å; P1868-A1910 HydrophobicContact CG-CB 4.21Å; A1910-Q2017 WeakPolarHBondContact O-CA 3.41Å; A1910-T2018 HydrophobicContact CB-CG2 4.23Å; A1910-T2018 PolarHBondContact N-OG1 3.05Å; A1910-T2018 VanDerWaalsContact N-OG1 3.1Å; A1910-T2018 PolarHBondContact O-N 3.15Å; A1910-T2018 PolarHBondContact O-OG1 2.96Å; A1910-L2029 HydrophobicContact CB-CB 3.96Å
1911W93.4Very high73.7Confident10.4 Ų10.445.9 Ų45.94%0.03924%0.239CC..EExtended strand (participates in β ladder)trans-141.6155.4177.962.3-106.2000113.2A1829 A1830 S1831 T1913 K2015 I2016 Q2017 A2054 I2057 Y2058A1829-W1911 HydrophobicContact CB-CH2 4.16Å; A1829-W1911 HydrophobicContact CB-CZ3 3.9Å; A1830-W1911 VanDerWaalsContact C-CZ3 3.48Å; A1830-W1911 CarbonylContact C-O 3.55Å; A1830-W1911 VanDerWaalsContact CA-O 3.3Å; A1830-W1911 WeakPolarHBondContact CA-O 3.41Å; A1830-W1911 WeakPolarHBondContact O-CH2 3.48Å; S1831-W1911 PolarHBondContact N-O 3.36Å; S1831-W1911 PolarHBondContact OG-N 3.06Å; S1831-W1911 VanDerWaalsContact OG-N 3.12Å; S1831-W1911 PolarHBondContact OG-O 2.89Å; W1911-T1913 VanDerWaalsContact CE3-OG1 3.27Å; W1911-T1913 VanDerWaalsContact CZ3-OG1 3.3Å; W1911-T1913 WeakPolarHBondContact CZ3-OG1 3.46Å; W1911-K2015 HydrophobicContact CB-CD 4.24Å; W1911-K2015 HydrophobicContact CB-CG 4.21Å; W1911-K2015 HydrophobicContact CG-CD 4.35Å; W1911-I2016 CarbonylContact C-O 3.52Å; W1911-I2016 VanDerWaalsContact CA-O 3.23Å; W1911-I2016 WeakPolarHBondContact CA-O 3.32Å; W1911-I2016 WeakPolarHBondContact CB-O 3.4Å; W1911-Q2017 HydrophobicContact CB-CB 3.99Å; W1911-Q2017 HydrophobicContact CB-CG 4.14Å; W1911-A2054 HydrophobicContact CH2-CB 4.18Å; W1911-I2057 HydrophobicContact CE3-CD1 4.33Å; W1911-I2057 HydrophobicContact CH2-CB 4.44Å; W1911-I2057 HydrophobicContact CH2-CD1 3.58Å; W1911-I2057 HydrophobicContact CH2-CG2 4.39Å; W1911-I2057 HydrophobicContact CZ2-CB 4.3Å; W1911-I2057 HydrophobicContact CZ2-CD1 4.06Å; W1911-I2057 HydrophobicContact CZ2-CG2 3.85Å; W1911-I2057 HydrophobicContact CZ3-CD1 3.72Å; W1911-Y2058 HydrophobicContact CZ2-CE1 4.46Å; W1911-Y2058 AromaticContact CZ2-CE2 3.9Å; W1911-Y2058 HydrophobicContact CZ2-CE2 3.9Å; W1911-Y2058 AromaticContact CZ2-CZ 3.77Å; W1911-Y2058 WeakPolarHBondContact CZ2-OH 3.47Å; W1911-Y2058 AromaticContact NE1-CZ 3.99Å; W1911-Y2058 PolarHBondContact NE1-OH 2.76Å
1912I94.1Very high76.6Confident0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-130.7131.1170.1-68.3164.3000107.1I1828 A1829 A1830 I1843 V1864 V1866 K2015 I2016 L2029 L2031I1828-I1912 HydrophobicContact CG2-CG2 3.77Å; A1829-I1912 CarbonylContact O-C 3.5Å; A1829-I1912 WeakPolarHBondContact O-CA 3.3Å; A1830-I1912 HydrophobicContact CB-CG1 4.29Å; I1843-I1912 HydrophobicContact CD1-CD1 4.28Å; I1843-I1912 HydrophobicContact CD1-CG2 3.76Å; V1864-I1912 HydrophobicContact CG1-CD1 3.6Å; V1866-I1912 HydrophobicContact CB-CG1 4.47Å; V1866-I1912 HydrophobicContact CG2-CD1 3.86Å; V1866-I1912 HydrophobicContact CG2-CG1 3.86Å; I1912-K2015 CarbonylContact O-C 3.58Å; I1912-K2015 WeakPolarHBondContact O-CA 3.21Å; I1912-I2016 PolarHBondContact N-O 3.02Å; I1912-I2016 PolarHBondContact O-N 3.03Å; I1912-L2029 HydrophobicContact CB-CD2 4.33Å; I1912-L2029 HydrophobicContact CD1-CD2 3.83Å; I1912-L2029 HydrophobicContact CD1-CG 4.2Å; I1912-L2029 HydrophobicContact CG1-CD2 4Å; I1912-L2031 HydrophobicContact CD1-CD1 4.03Å
1913T95Very high79.5Confident0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-125.4135.5-179.3-53.20000110.6I1828 A1829 W1911 W1956 F2014 K2015 L2053 I2057I1828-T1913 CarbonylContact C-O 3.53Å; I1828-T1913 VanDerWaalsContact CA-O 3.31Å; I1828-T1913 WeakPolarHBondContact CA-O 3.27Å; A1829-T1913 PolarHBondContact N-O 3.21Å; A1829-T1913 PolarHBondContact O-N 3.13Å; W1911-T1913 VanDerWaalsContact CE3-OG1 3.27Å; W1911-T1913 VanDerWaalsContact CZ3-OG1 3.3Å; W1911-T1913 WeakPolarHBondContact CZ3-OG1 3.46Å; T1913-W1956 HydrophobicContact CG2-CH2 3.51Å; T1913-W1956 VanDerWaalsContact CG2-CH2 3.49Å; T1913-W1956 HydrophobicContact CG2-CZ2 4.08Å; T1913-W1956 HydrophobicContact CG2-CZ3 4.44Å; T1913-F2014 CarbonylContact C-O 3.53Å; T1913-F2014 WeakPolarHBondContact CA-O 3.29Å; T1913-K2015 HydrophobicContact CG2-CB 4.06Å; T1913-K2015 WeakPolarHBondContact OG1-CB 3.45Å; T1913-K2015 VanDerWaalsContact OG1-CG 3.28Å; T1913-K2015 WeakPolarHBondContact OG1-CG 3.4Å; T1913-L2053 HydrophobicContact CG2-CD1 4.28Å; T1913-L2053 HydrophobicContact CG2-CD2 3.9Å; T1913-L2053 HydrophobicContact CG2-CG 4.27Å; T1913-I2057 HydrophobicContact CG2-CD1 4.02Å; T1913-I2057 VanDerWaalsContact OG1-CD1 3.32Å; T1913-I2057 WeakPolarHBondContact OG1-CD1 3.31Å
1914V95.1Very high82.3Confident1.6 Ų1.631 Ų311%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-116.7131.9-178.9-174.90000109.7I1826 S1827 I1828 I1843 L1916 F2013 F2014 L2034I1826-V1914 HydrophobicContact CG2-CG1 3.42Å; I1826-V1914 VanDerWaalsContact CG2-CG1 3.42Å; S1827-V1914 CarbonylContact O-C 3.55Å; S1827-V1914 WeakPolarHBondContact O-CA 3.39Å; I1828-V1914 HydrophobicContact CG1-CG1 4.42Å; I1828-V1914 HydrophobicContact CG1-CG2 4.34Å; I1828-V1914 HydrophobicContact CG2-CG2 4.28Å; I1843-V1914 HydrophobicContact CD1-CG2 4.44Å; V1914-L1916 HydrophobicContact CG1-CD2 3.67Å; V1914-L1916 HydrophobicContact CG1-CG 4.31Å; V1914-F2013 WeakPolarHBondContact O-CA 3.27Å; V1914-F2014 PolarHBondContact N-O 3.2Å; V1914-F2014 PolarHBondContact O-N 3.03Å; V1914-L2034 HydrophobicContact CG2-CD2 3.86Å
1915D95.7Very high84.9Confident0 Ų025.9 Ų25.90%013%0.132CC..EExtended strand (participates in β ladder)trans-104.1107.9163.2-179.68.8000108.3I1826 S1827 G1917 R2012 F2013 V2047 L2048 L2053I1826-D1915 WeakPolarHBondContact CA-O 3.35Å; I1826-D1915 WeakPolarHBondContact CG2-O 3.37Å; S1827-D1915 PolarHBondContact N-O 3.11Å; S1827-D1915 PolarHBondContact O-N 2.99Å; D1915-G1917 VanDerWaalsContact C-N 3.27Å; D1915-G1917 PolarHBondContact O-N 3.26Å; D1915-G1917 WeakPolarHBondContact OD1-CA 3.27Å; D1915-G1917 PolarHBondContact OD1-N 3.13Å; D1915-R2012 VanDerWaalsContact OD1-CG 3.3Å; D1915-R2012 WeakPolarHBondContact OD1-CG 3.36Å; D1915-R2012 IonicContact OD1-CZ 3.38Å; D1915-R2012 IonicContact OD1-NE 3.02Å; D1915-R2012 PolarHBondContact OD1-NE 3.19Å; D1915-R2012 IonicContact OD1-NH2 3.03Å; D1915-R2012 PolarHBondContact OD1-NH2 3.12Å; D1915-R2012 IonicContact OD2-CZ 3.52Å; D1915-R2012 IonicContact OD2-NE 2.92Å; D1915-R2012 PolarHBondContact OD2-NE 3.1Å; D1915-R2012 IonicContact OD2-NH2 3.32Å; D1915-R2012 PolarHBondContact OD2-NH2 3.18Å; D1915-F2013 HydrophobicContact CB-CD1 3.64Å; D1915-F2013 HydrophobicContact CB-CE1 3.71Å; D1915-F2013 WeakPolarHBondContact OD2-CE1 3.42Å; D1915-V2047 HydrophobicContact CB-CG1 3.87Å; D1915-V2047 WeakPolarHBondContact O-CG1 3.29Å; D1915-V2047 VanDerWaalsContact OD2-CG1 3.31Å; D1915-V2047 WeakPolarHBondContact OD2-CG1 3.27Å; D1915-L2048 PolarHBondContact OD2-N 3.15Å; D1915-L2053 HydrophobicContact CB-CD1 3.68Å; D1915-L2053 HydrophobicContact CB-CD2 4.26Å
1916L93Very high87.1Confident0.2 Ų0.217.8 Ų17.80%0.0019%0.094CC..EExtended strand (participates in β ladder)trans-75.1-17.7177.7-60.7179.2000112.2R1762 I1802 I1826 V1914 L1918 L1920 R2012 F2014 F2036R1762-L1916 PolarHBondContact NH2-O 3.19Å; R1762-L1916 VanDerWaalsContact NH2-O 3.1Å; I1802-L1916 HydrophobicContact CG1-CD2 4.49Å; I1826-L1916 HydrophobicContact CD1-CD2 3.86Å; I1826-L1916 HydrophobicContact CG1-CD2 4.33Å; I1826-L1916 HydrophobicContact CG2-CD2 4.3Å; V1914-L1916 HydrophobicContact CG1-CD2 3.67Å; V1914-L1916 HydrophobicContact CG1-CG 4.31Å; L1916-L1918 HydrophobicContact CB-CB 4.01Å; L1916-L1918 HydrophobicContact CB-CD1 4.27Å; L1916-L1918 HydrophobicContact CB-CG 4.22Å; L1916-L1918 HydrophobicContact CD1-CD1 4.46Å; L1916-L1918 PolarHBondContact O-N 3.04Å; L1916-L1918 VanDerWaalsContact O-N 3.16Å; L1916-L1920 HydrophobicContact CD1-CD2 3.95Å; L1916-R2012 PolarHBondContact N-O 3.23Å; L1916-F2014 HydrophobicContact CD1-CD2 3.86Å; L1916-F2014 HydrophobicContact CD1-CE2 3.69Å; L1916-F2014 HydrophobicContact CG-CD2 4.19Å; L1916-F2014 HydrophobicContact CG-CE2 4.38Å; L1916-F2036 HydrophobicContact CD1-CD2 4.2Å; L1916-F2036 HydrophobicContact CD2-CD2 4.44Å
1917G91.1Very high89.3Confident0 Ų012.1 Ų12.10%06%0.064CC..EExtended strand (participates in β ladder)trans56.227.8-165.600000113.1R1762 D1915 V2043 H2044R1762-G1917 VanDerWaalsContact NH2-C 3.31Å; R1762-G1917 VanDerWaalsContact NH2-CA 3.34Å; R1762-G1917 PolarHBondContact NH2-O 3.03Å; D1915-G1917 VanDerWaalsContact C-N 3.27Å; D1915-G1917 PolarHBondContact O-N 3.26Å; D1915-G1917 WeakPolarHBondContact OD1-CA 3.27Å; D1915-G1917 PolarHBondContact OD1-N 3.13Å; G1917-V2043 WeakPolarHBondContact O-CG1 3.44Å; G1917-H2044 PolarHBondContact O-N 3.06Å
1918L92.2Very high90.8Very high0 Ų09.3 Ų9.30%05%0.051CC..EExtended strand (participates in β ladder)trans-125156.7179-71.3-178.8000109.7W1768 I1771 I1801 W1804 L1805 L1916 R2012 V2040 S2042 V2043W1768-L1918 HydrophobicContact CE3-CD2 4.18Å; W1768-L1918 HydrophobicContact CH2-CD2 3.92Å; W1768-L1918 HydrophobicContact CH2-CG 4.29Å; W1768-L1918 HydrophobicContact CZ3-CD1 4.13Å; W1768-L1918 HydrophobicContact CZ3-CD2 3.36Å; W1768-L1918 VanDerWaalsContact CZ3-CD2 3.43Å; W1768-L1918 HydrophobicContact CZ3-CG 4.15Å; I1771-L1918 HydrophobicContact CD1-CD2 4.1Å; I1801-L1918 HydrophobicContact CG2-CD1 3.64Å; I1801-L1918 VanDerWaalsContact CG2-CD1 3.45Å; W1804-L1918 HydrophobicContact CZ3-CD1 4.3Å; W1804-L1918 HydrophobicContact CZ3-CD2 4.43Å; L1805-L1918 HydrophobicContact CD1-CD1 3.97Å; L1805-L1918 HydrophobicContact CD1-CG 4.41Å; L1805-L1918 HydrophobicContact CD2-CD1 4.3Å; L1805-L1918 HydrophobicContact CG-CD1 4.19Å; L1916-L1918 HydrophobicContact CB-CB 4.01Å; L1916-L1918 HydrophobicContact CB-CD1 4.27Å; L1916-L1918 HydrophobicContact CB-CG 4.22Å; L1916-L1918 HydrophobicContact CD1-CD1 4.46Å; L1916-L1918 PolarHBondContact O-N 3.04Å; L1916-L1918 VanDerWaalsContact O-N 3.16Å; L1918-R2012 VanDerWaalsContact O-CA 3.27Å; L1918-R2012 WeakPolarHBondContact O-CA 3.4Å; L1918-R2012 WeakPolarHBondContact O-CB 3.43Å; L1918-V2040 HydrophobicContact CB-CG1 4.2Å; L1918-V2040 HydrophobicContact CD1-CG1 4.09Å; L1918-V2040 HydrophobicContact CD1-CG2 4.26Å; L1918-V2040 HydrophobicContact CD2-CG1 3.81Å; L1918-V2040 VanDerWaalsContact CD2-CG1 3.45Å; L1918-V2040 HydrophobicContact CG-CG1 4.27Å; L1918-S2042 CarbonylContact C-O 3.5Å; L1918-S2042 WeakPolarHBondContact CA-O 3.44Å; L1918-V2043 HydrophobicContact CD2-CB 4.34Å; L1918-V2043 HydrophobicContact CD2-CG1 4.04Å; L1918-V2043 HydrophobicContact CD2-CG2 3.93Å
1919Q91.5Very high91.6Very high20.2 Ų20.27.4 Ų7.49%0.0944%0.039CC..EExtended strand (participates in β ladder)trans-104.795.7170-155.173.823.800109.9N1951 G2010 Y2041 S2042 H2044Q1919-N1951 PolarHBondContact NE2-OD1 3.29Å; Q1919-G2010 VanDerWaalsContact NE2-C 3.3Å; Q1919-G2010 PolarHBondContact NE2-O 3.19Å; Q1919-Y2041 PolarHBondContact O-N 3.22Å; Q1919-S2042 VanDerWaalsContact CB-OG 3.28Å; Q1919-S2042 WeakPolarHBondContact CB-OG 3.21Å; Q1919-S2042 PolarHBondContact N-O 3.21Å; Q1919-H2044 PolarHBondContact OE1-NE2 3.11Å
1920L92.7Very high91.4Very high0 Ų05.4 Ų5.40%03%0.03CC..EExtended strand (participates in β ladder)trans-107.3128.9-171.5169.259.6000111.9I1801 L1916 P1922 G2010 W2011 F2014 F2036 N2039 V2040I1801-L1920 HydrophobicContact CD1-CD1 3.39Å; I1801-L1920 VanDerWaalsContact CD1-CD1 3.4Å; I1801-L1920 HydrophobicContact CD1-CD2 3.59Å; I1801-L1920 HydrophobicContact CD1-CG 4.09Å; L1916-L1920 HydrophobicContact CD1-CD2 3.95Å; L1920-P1922 HydrophobicContact CD2-CB 4.18Å; L1920-P1922 HydrophobicContact CG-CB 4.12Å; L1920-P1922 WeakPolarHBondContact O-CD 3.37Å; L1920-G2010 CarbonylContact O-C 3.49Å; L1920-G2010 VanDerWaalsContact O-CA 3.32Å; L1920-G2010 WeakPolarHBondContact O-CA 3.47Å; L1920-W2011 PolarHBondContact N-O 3.02Å; L1920-W2011 PolarHBondContact O-N 2.97Å; L1920-F2014 HydrophobicContact CB-CE2 4.31Å; L1920-F2014 HydrophobicContact CB-CZ 4.08Å; L1920-F2014 HydrophobicContact CD2-CE2 4.11Å; L1920-F2014 HydrophobicContact CD2-CZ 3.92Å; L1920-F2014 HydrophobicContact CG-CZ 4.13Å; L1920-F2036 HydrophobicContact CD2-CB 3.91Å; L1920-F2036 HydrophobicContact CD2-CG 4.32Å; L1920-N2039 CarbonylContact C-O 3.58Å; L1920-N2039 WeakPolarHBondContact CA-O 3.44Å; L1920-N2039 WeakPolarHBondContact CD1-O 3.23Å; L1920-V2040 HydrophobicContact CD1-CG2 4.06Å
1921I92.2Very high90.4Very high20.2 Ų20.27.2 Ų7.210%0.1044%0.037CC..EExtended strand (participates in β ladder)trans-93.3102.4157-60.2-179.2000107.1I2008 G2038 N2039 Y2041I1921-I2008 HydrophobicContact CD1-CB 4.34Å; I1921-I2008 HydrophobicContact CD1-CG2 3.54Å; I1921-I2008 VanDerWaalsContact CD1-CG2 3.45Å; I1921-G2038 CarbonylContact O-C 3.52Å; I1921-G2038 WeakPolarHBondContact O-CA 3.36Å; I1921-N2039 PolarHBondContact N-O 2.99Å; I1921-N2039 PolarHBondContact O-N 3.16Å; I1921-Y2041 HydrophobicContact CB-CE2 4.09Å; I1921-Y2041 HydrophobicContact CD1-CD2 4.26Å; I1921-Y2041 HydrophobicContact CD1-CE2 3.41Å; I1921-Y2041 VanDerWaalsContact CD1-CE2 3.43Å; I1921-Y2041 HydrophobicContact CG1-CD2 4.16Å; I1921-Y2041 HydrophobicContact CG1-CE2 3.61Å
1922P93Very high89.1Confident4.2 Ų4.214.1 Ų14.13%0.0276%0.063CC..EExtended strand (participates in β ladder)trans-78.5134-174.833.7-36.8000111L1920 L1959 I1980 F2014 Y2037L1920-P1922 HydrophobicContact CD2-CB 4.18Å; L1920-P1922 HydrophobicContact CG-CB 4.12Å; L1920-P1922 WeakPolarHBondContact O-CD 3.37Å; P1922-L1959 HydrophobicContact CG-CD1 3.66Å; P1922-I1980 HydrophobicContact CB-CD1 3.88Å; P1922-I1980 HydrophobicContact CG-CD1 4.05Å; P1922-I1980 HydrophobicContact CG-CG2 4.44Å; P1922-F2014 HydrophobicContact CG-CE1 3.98Å; P1922-F2014 HydrophobicContact CG-CZ 4.47Å; P1922-Y2037 CarbonylContact C-O 3.46Å; P1922-Y2037 VanDerWaalsContact CA-O 3.23Å; P1922-Y2037 WeakPolarHBondContact CA-O 3.3Å
1923T91.5Very high87.5Confident38.4 Ų38.414.6 Ų14.624%0.2367%0.066CC..EExtended strand (participates in β ladder)trans-101-23.4173.956.30000112.2Y1784 S1979 I1980 Y2037 G2038Y1784-T1923 HydrophobicContact CE2-CG2 4.26Å; T1923-S1979 CarbonylContact O-C 3.5Å; T1923-S1979 WeakPolarHBondContact O-CA 3.35Å; T1923-I1980 PolarHBondContact O-N 3.27Å; T1923-Y2037 PolarHBondContact N-O 3.07Å; T1923-Y2037 PolarHBondContact OG1-O 3.04Å; T1923-G2038 VanDerWaalsContact OG1-CA 3.3Å; T1923-G2038 WeakPolarHBondContact OG1-CA 3.44Å; T1923-G2038 PolarHBondContact OG1-N 3.12Å
1924A92Very high85.6Confident3.4 Ų3.419.4 Ų19.43%0.0289%0.092CC..EExtended strand (participates in β ladder)trans-156.7167.1172.200000111.6A1787 T1977 W1978 Y2037A1787-A1924 HydrophobicContact CB-CB 3.68Å; A1924-T1977 HydrophobicContact CB-CG2 4.31Å; A1924-W1978 CarbonylContact C-O 3.52Å; A1924-W1978 WeakPolarHBondContact CA-O 3.4Å; A1924-W1978 WeakPolarHBondContact CB-O 3.36Å; A1924-Y2037 HydrophobicContact CB-CD2 3.97Å; A1924-Y2037 HydrophobicContact CB-CG 4.49Å; A1924-Y2037 PolarHBondContact N-O 2.89Å; A1924-Y2037 PolarHBondContact O-N 3.05Å
1925Y92.9Very high83.7Confident0 Ų023.8 Ų23.80%013%0.129CC..EExtended strand (participates in β ladder)trans-144.4152.8168.382.7-65.4000111.4L1927 W1945 L1947 H1962 T1977 W1978 I1980 L2034 E2035Y1925-L1927 HydrophobicContact CD2-CD2 4.33Å; Y1925-L1927 HydrophobicContact CD2-CG 4.07Å; Y1925-L1927 HydrophobicContact CE2-CD1 3.77Å; Y1925-L1927 HydrophobicContact CE2-CD2 4.21Å; Y1925-L1927 HydrophobicContact CE2-CG 3.67Å; Y1925-W1945 PolarHBondContact OH-NE1 2.87Å; Y1925-L1947 HydrophobicContact CD1-CD2 3.77Å; Y1925-L1947 HydrophobicContact CD2-CD2 4.01Å; Y1925-L1947 HydrophobicContact CE1-CD2 3.94Å; Y1925-L1947 HydrophobicContact CE2-CB 4.47Å; Y1925-L1947 HydrophobicContact CE2-CD2 4.15Å; Y1925-L1947 HydrophobicContact CG-CD2 3.81Å; Y1925-H1962 AromaticContact CE1-NE2 3.89Å; Y1925-H1962 AromaticContact CZ-NE2 3.75Å; Y1925-H1962 PolarHBondContact OH-CD2 3.16Å; Y1925-H1962 PolarHBondContact OH-CE1 2.93Å; Y1925-H1962 PolarHBondContact OH-NE2 3.21Å; Y1925-T1977 CarbonylContact O-C 3.52Å; Y1925-T1977 WeakPolarHBondContact O-CA 3.35Å; Y1925-T1977 WeakPolarHBondContact O-CG2 3.25Å; Y1925-W1978 HydrophobicContact CD1-CB 4.27Å; Y1925-W1978 HydrophobicContact CD1-CE3 4.24Å; Y1925-W1978 HydrophobicContact CD2-CE3 4.46Å; Y1925-W1978 HydrophobicContact CE1-CB 3.94Å; Y1925-W1978 HydrophobicContact CE1-CD2 4.27Å; Y1925-W1978 AromaticContact CE1-CE3 3.74Å; Y1925-W1978 HydrophobicContact CE1-CE3 3.74Å; Y1925-W1978 HydrophobicContact CE1-CG 4.43Å; Y1925-W1978 HydrophobicContact CE1-CZ3 4.44Å; Y1925-W1978 HydrophobicContact CE2-CE3 4.12Å; Y1925-W1978 HydrophobicContact CE2-CZ3 4.17Å; Y1925-W1978 AromaticContact CZ-CE3 3.67Å; Y1925-W1978 AromaticContact CZ-CZ3 3.95Å; Y1925-W1978 PolarHBondContact N-O 3.21Å; Y1925-W1978 PolarHBondContact O-N 3.21Å; Y1925-I1980 HydrophobicContact CD1-CD1 3.94Å; Y1925-I1980 HydrophobicContact CD1-CG1 4.22Å; Y1925-I1980 HydrophobicContact CG-CD1 4.46Å; Y1925-L2034 HydrophobicContact CD2-CD1 4.41Å; Y1925-E2035 CarbonylContact C-O 3.45Å; Y1925-E2035 VanDerWaalsContact CA-O 3.26Å; Y1925-E2035 WeakPolarHBondContact CA-O 3.32Å; Y1925-E2035 WeakPolarHBondContact CB-O 3.46Å
1926T89.8Confident81.8Confident2.4 Ų2.427.1 Ų27.12%0.01515%0.152CC..EExtended strand (participates in β ladder)trans-115.4139.9175.7-62.30000110S1794 R1975 A1976 T1977 L2034 E2035 Y2037S1794-T1926 VanDerWaalsContact OG-CG2 3.24Å; S1794-T1926 WeakPolarHBondContact OG-CG2 3.37Å; T1926-R1975 HydrophobicContact CG2-CB 4.36Å; T1926-R1975 HydrophobicContact CG2-CG 4.39Å; T1926-A1976 VanDerWaalsContact CA-O 3.31Å; T1926-A1976 WeakPolarHBondContact CA-O 3.31Å; T1926-A1976 WeakPolarHBondContact CG2-O 3.32Å; T1926-T1977 WeakPolarHBondContact OG1-CB 3.48Å; T1926-T1977 WeakPolarHBondContact OG1-CG2 3.33Å; T1926-T1977 PolarHBondContact OG1-OG1 3.08Å; T1926-L2034 WeakPolarHBondContact O-CA 3.4Å; T1926-E2035 PolarHBondContact N-O 3.03Å; T1926-E2035 PolarHBondContact O-N 2.92Å; T1926-E2035 VanDerWaalsContact O-N 3.1Å; T1926-Y2037 VanDerWaalsContact OG1-CE2 3.28Å; T1926-Y2037 WeakPolarHBondContact OG1-CE2 3.28Å; T1926-Y2037 PolarHBondContact OG1-OH 3.38Å; T1926-Y2037 VanDerWaalsContact OG1-OH 3.07Å
1927L90Very high80.1Confident0.4 Ų0.434.7 Ų34.70%0.00219%0.187CC..EExtended strand (participates in β ladder)trans-122.1148.2163.9-64.1177.6000110.5Y1925 W1945 I1968 R1975 A1976 W1978 I2016 L2031 G2033 L2034Y1925-L1927 HydrophobicContact CD2-CD2 4.33Å; Y1925-L1927 HydrophobicContact CD2-CG 4.07Å; Y1925-L1927 HydrophobicContact CE2-CD1 3.77Å; Y1925-L1927 HydrophobicContact CE2-CD2 4.21Å; Y1925-L1927 HydrophobicContact CE2-CG 3.67Å; L1927-W1945 HydrophobicContact CD1-CZ2 4.25Å; L1927-I1968 HydrophobicContact CB-CD1 3.9Å; L1927-R1975 WeakPolarHBondContact O-CA 3.4Å; L1927-R1975 VanDerWaalsContact O-CB 3.29Å; L1927-R1975 WeakPolarHBondContact O-CB 3.25Å; L1927-A1976 PolarHBondContact N-O 3.16Å; L1927-A1976 VanDerWaalsContact N-O 3.08Å; L1927-A1976 PolarHBondContact O-N 3.08Å; L1927-A1976 VanDerWaalsContact O-N 3.08Å; L1927-W1978 HydrophobicContact CB-CH2 4.12Å; L1927-W1978 HydrophobicContact CB-CZ3 3.79Å; L1927-W1978 HydrophobicContact CD1-CH2 4.34Å; L1927-W1978 HydrophobicContact CD1-CZ3 4.07Å; L1927-W1978 HydrophobicContact CG-CH2 4.32Å; L1927-W1978 HydrophobicContact CG-CZ3 3.88Å; L1927-I2016 HydrophobicContact CD2-CD1 3.7Å; L1927-L2031 HydrophobicContact CB-CD2 4.41Å; L1927-L2031 HydrophobicContact CD1-CD2 4.09Å; L1927-L2031 HydrophobicContact CD2-CD1 4.29Å; L1927-L2031 HydrophobicContact CD2-CD2 4.25Å; L1927-L2031 HydrophobicContact CG-CD2 4.49Å; L1927-G2033 WeakPolarHBondContact CA-O 3.42Å; L1927-L2034 HydrophobicContact CD2-CB 4.31Å; L1927-L2034 HydrophobicContact CD2-CD1 3.71Å
1928A85.9Confident78.9Confident3.6 Ų3.640 Ų403%0.0321%0.212CC..EExtended strand (participates in β ladder)trans-120148.3169.200000111.5S1974 R1975 G2032 G2033A1928-S1974 CarbonylContact C-O 3.5Å; A1928-S1974 VanDerWaalsContact CA-O 3.29Å; A1928-S1974 WeakPolarHBondContact CA-O 3.4Å; A1928-R1975 HydrophobicContact CB-CB 3.96Å; A1928-R1975 HydrophobicContact CB-CG 3.58Å; A1928-R1975 VanDerWaalsContact CB-CG 3.44Å; A1928-G2032 PolarHBondContact O-N 3.13Å; A1928-G2033 PolarHBondContact N-O 3.25Å; A1928-G2033 PolarHBondContact O-N 3.27Å
1929Y86.2Confident78.3Confident3.8 Ų3.841.3 Ų41.32%0.01522%0.221CC..PPolyproline II helixtrans-74.7169.1166.9-173.2-134000111.5A1933 L1940 A1941 I1968 S1970 S1974 A2030 G2032Y1929-A1933 HydrophobicContact CD1-CB 4.33Å; Y1929-A1933 HydrophobicContact CE1-CB 3.54Å; Y1929-A1933 VanDerWaalsContact CE1-CB 3.48Å; Y1929-L1940 HydrophobicContact CE2-CB 4.21Å; Y1929-L1940 PolarHBondContact OH-N 3.04Å; Y1929-L1940 VanDerWaalsContact OH-N 3.11Å; Y1929-A1941 HydrophobicContact CD2-CB 4.16Å; Y1929-A1941 HydrophobicContact CE1-CB 4.46Å; Y1929-A1941 VanDerWaalsContact CE2-CA 3.48Å; Y1929-A1941 HydrophobicContact CE2-CB 4.11Å; Y1929-A1941 VanDerWaalsContact CE2-N 3.32Å; Y1929-A1941 HydrophobicContact CG-CB 4.41Å; Y1929-I1968 HydrophobicContact CG-CG2 4.44Å; Y1929-S1970 WeakPolarHBondContact CE1-O 3.36Å; Y1929-S1974 PolarHBondContact N-O 3.03Å; Y1929-A2030 HydrophobicContact CE2-CB 4.23Å; Y1929-G2032 WeakPolarHBondContact O-CA 3.41Å
1930L81.3Confident77.9Confident4.6 Ų4.642.1 Ų42.12%0.02423%0.226CC..PPolyproline II helixtrans-57.6145180-57.8176.7000112I1862 V1865 A1933 L1940 S1972 G1973 A2030I1862-L1930 HydrophobicContact CG1-CB 4.46Å; I1862-L1930 CarbonylContact O-C 3.47Å; I1862-L1930 VanDerWaalsContact O-CA 3.25Å; I1862-L1930 WeakPolarHBondContact O-CA 3.38Å; I1862-L1930 WeakPolarHBondContact O-CB 3.39Å; I1862-L1930 WeakPolarHBondContact O-CD2 3.31Å; V1865-L1930 HydrophobicContact CG2-CD1 3.64Å; V1865-L1930 HydrophobicContact CG2-CD2 4.09Å; V1865-L1930 HydrophobicContact CG2-CG 4.45Å; L1930-A1933 HydrophobicContact CB-CB 4.09Å; L1930-A1933 HydrophobicContact CD1-CB 4.46Å; L1930-L1940 HydrophobicContact CD1-CD1 4.45Å; L1930-S1972 CarbonylContact O-C 3.59Å; L1930-S1972 WeakPolarHBondContact O-CA 3.37Å; L1930-S1972 PolarHBondContact O-OG 3.25Å; L1930-G1973 PolarHBondContact O-N 2.92Å; L1930-A2030 HydrophobicContact CD1-CB 4.05Å; L1930-A2030 HydrophobicContact CD2-CB 4.34Å; L1930-A2030 HydrophobicContact CG-CB 4.08Å
1931R70.1Confident77.7Confident37.8 Ų37.842.1 Ų42.114%0.14323%0.226CC..SBendtrans-89.3143167.2-66.8178.9-178.7145.17.2109.7G1845 P1846 A1848 G1849 I1857 R1858 G1859 G1861 I1862 A1933 S1972 G2032G1845-R1931 PolarHBondContact O-NH1 2.91Å; G1845-R1931 VanDerWaalsContact O-NH1 3.1Å; G1845-R1931 PolarHBondContact O-NH2 3.2Å; P1846-R1931 VanDerWaalsContact O-CZ 3.25Å; P1846-R1931 PolarHBondContact O-NH1 2.97Å; P1846-R1931 PolarHBondContact O-NH2 3.33Å; A1848-R1931 HydrophobicContact CB-CG 4.07Å; G1849-R1931 VanDerWaalsContact N-NH2 3.15Å; G1849-R1931 PolarHBondContact O-NH1 2.69Å; I1857-R1931 VanDerWaalsContact CG2-NH1 3.29Å; R1858-R1931 PolarHBondContact O-NH1 3.12Å; G1859-R1931 VanDerWaalsContact O-CD 3.3Å; G1859-R1931 WeakPolarHBondContact O-CD 3.44Å; G1859-R1931 PolarHBondContact O-NH1 2.98Å; G1861-R1931 WeakPolarHBondContact O-CB 3.46Å; G1861-R1931 WeakPolarHBondContact O-CD 3.47Å; G1861-R1931 PolarHBondContact O-NH1 2.84Å; I1862-R1931 WeakPolarHBondContact CA-O 3.43Å; I1862-R1931 WeakPolarHBondContact CD1-O 3.41Å; I1862-R1931 VanDerWaalsContact CG1-O 3.24Å; I1862-R1931 WeakPolarHBondContact CG1-O 3.28Å; I1862-R1931 PolarHBondContact O-N 3.24Å; R1931-A1933 VanDerWaalsContact C-N 3.35Å; R1931-A1933 PolarHBondContact O-N 2.89Å; R1931-S1972 VanDerWaalsContact C-OG 3.23Å; R1931-S1972 VanDerWaalsContact CA-OG 3.22Å; R1931-S1972 WeakPolarHBondContact CA-OG 3.49Å; R1931-G2032 VanDerWaalsContact CZ-O 3.28Å; R1931-G2032 PolarHBondContact NE-O 2.99Å; R1931-G2032 PolarHBondContact NH1-O 3.13Å; R1931-G2032 PolarHBondContact NH2-O 3.18Å; R1931-G2032 VanDerWaalsContact NH2-O 3.15Å
1932R65.5Low77.6Confident155 Ų15541.3 Ų41.359%0.58522%0.222SC*.SBendtrans56.649.5-171-52.2-179.7-172.31693112.1K1837 I1862 D1934 S1972K1837-R1932 PolarHBondContact NZ-O 3.25Å; I1862-R1932 HydrophobicContact CD1-CB 4.18Å; I1862-R1932 WeakPolarHBondContact CD1-O 3.39Å; R1932-D1934 VanDerWaalsContact C-N 3.33Å; R1932-D1934 VanDerWaalsContact C-OD1 3.26Å; R1932-D1934 VanDerWaalsContact CA-OD1 3.29Å; R1932-D1934 WeakPolarHBondContact CA-OD1 3.31Å; R1932-S1972 WeakPolarHBondContact CA-OG 3.45Å; R1932-S1972 PolarHBondContact N-OG 3.15Å
1933A60.9Low77.6Confident9.8 Ų9.842.4 Ų42.48%0.08123%0.225CC..  trans-92.8-6.8173.400000112Y1929 L1930 R1931 A1935 S1936 S1972Y1929-A1933 HydrophobicContact CD1-CB 4.33Å; Y1929-A1933 HydrophobicContact CE1-CB 3.54Å; Y1929-A1933 VanDerWaalsContact CE1-CB 3.48Å; L1930-A1933 HydrophobicContact CB-CB 4.09Å; L1930-A1933 HydrophobicContact CD1-CB 4.46Å; R1931-A1933 VanDerWaalsContact C-N 3.35Å; R1931-A1933 PolarHBondContact O-N 2.89Å; A1933-A1935 PolarHBondContact O-N 3.33Å; A1933-S1936 PolarHBondContact O-N 2.95Å; A1933-S1936 PolarHBondContact O-OG 2.99Å; A1933-S1972 PolarHBondContact N-OG 3.18Å
1934D56.1Low77.7Confident102.6 Ų102.641.8 Ų41.855%0.54922%0.221SC..THydrogen-bonded Turntrans-60.8-3.4174.914.6-31.6000112.5R1932 S1936 E1937 S1972 G2634R1932-D1934 VanDerWaalsContact C-N 3.33Å; R1932-D1934 VanDerWaalsContact C-OD1 3.26Å; R1932-D1934 VanDerWaalsContact CA-OD1 3.29Å; R1932-D1934 WeakPolarHBondContact CA-OD1 3.31Å; D1934-S1936 VanDerWaalsContact C-N 3.3Å; D1934-S1936 PolarHBondContact O-N 3.18Å; D1934-E1937 PolarHBondContact O-N 3.26Å; D1934-S1972 VanDerWaalsContact CG-OG 3.32Å; D1934-S1972 WeakPolarHBondContact OD1-CB 3.33Å; D1934-S1972 PolarHBondContact OD1-OG 3.43Å; D1934-S1972 WeakPolarHBondContact OD2-CB 3.43Å; D1934-S1972 PolarHBondContact OD2-N 2.94Å; D1934-S1972 PolarHBondContact OD2-OG 3.02Å; D1934-G2634 WeakPolarHBondContact CB-O 3.07Å
1935A54.9Low77.9Confident93.8 Ų93.841.7 Ų41.778%0.77522%0.22SC*.THydrogen-bonded Turntrans-87.61.8176.500000114.6A1933 P2633A1933-A1935 PolarHBondContact O-N 3.33Å; A1935-P2633 WeakPolarHBondContact CB-O 3.23Å
1936S56Low77.9Confident68.6 Ų68.643.3 Ų43.348%0.4823%0.227SC..SBendtrans-114.4118.4176.552.20000112.3A1933 D1934 H1938A1933-S1936 PolarHBondContact O-N 2.95Å; A1933-S1936 PolarHBondContact O-OG 2.99Å; D1934-S1936 VanDerWaalsContact C-N 3.3Å; D1934-S1936 PolarHBondContact O-N 3.18Å; S1936-H1938 PolarHBondContact O-N 3.12Å; S1936-H1938 PolarHBondContact OG-O 2.95Å
1937E55.6Low78.3Confident160.4 Ų160.443.2 Ų43.275%0.7523%0.226SC*.SBendtrans-65.25.1-179.6-62.9-179151.100113.9K1837 D1934 S1939K1837-E1937 IonicContact NZ-OE1 3.78Å; K1837-E1937 PolarHBondContact NZ-OE1 2.8Å; K1837-E1937 IonicContact NZ-OE2 3.6Å; K1837-E1937 PolarHBondContact NZ-OE2 3Å; D1934-E1937 PolarHBondContact O-N 3.26Å; E1937-S1939 PolarHBondContact O-N 2.84Å
1938H67.6Low78.5Confident110.2 Ų110.243.7 Ų43.751%0.5123%0.229SC..SBendtrans-120.9119.3-173.7-68.9-41.2000111.3S1936 L1940 N2024S1936-H1938 PolarHBondContact O-N 3.12Å; S1936-H1938 PolarHBondContact OG-O 2.95Å; H1938-L1940 PolarHBondContact O-N 3.06Å; H1938-L1940 VanDerWaalsContact O-N 3.16Å; H1938-N2024 HydrophobicContact CB-CB 4.3Å; H1938-N2024 WeakPolarHBondContact CB-OD1 3.17Å; H1938-N2024 VanDerWaalsContact CG-OD1 3.3Å; H1938-N2024 PolarHBondContact ND1-ND2 3.46Å; H1938-N2024 PolarHBondContact ND1-OD1 3.07Å
1939S78.7Confident78.9Confident28.4 Ų28.443.5 Ų43.520%0.19923%0.227CC..  trans-70.7114.9-179.5-176.70000112.1E1937 A1941 S1970 A2023 N2024E1937-S1939 PolarHBondContact O-N 2.84Å; S1939-A1941 VanDerWaalsContact C-N 3.28Å; S1939-A1941 PolarHBondContact O-N 3.11Å; S1939-A1941 WeakPolarHBondContact OG-CB 3.31Å; S1939-A1941 PolarHBondContact OG-N 3.1Å; S1939-S1970 WeakPolarHBondContact CB-OG 3.37Å; S1939-S1970 VanDerWaalsContact OG-CB 3.24Å; S1939-S1970 WeakPolarHBondContact OG-CB 3.36Å; S1939-S1970 PolarHBondContact OG-OG 3.1Å; S1939-A2023 CarbonylContact O-C 3.56Å; S1939-A2023 WeakPolarHBondContact O-CB 3.32Å; S1939-N2024 VanDerWaalsContact O-CB 3.28Å; S1939-N2024 WeakPolarHBondContact O-CB 3.43Å; S1939-N2024 PolarHBondContact O-N 3.23Å; S1939-N2024 VanDerWaalsContact O-N 3.08Å
1940L84.2Confident79.2Confident35.6 Ų35.643.4 Ų43.419%0.18623%0.227CC..  trans-86.210.4175-63.8174.1000112.8V1865 Y1929 L1930 H1938 A2030V1865-L1940 HydrophobicContact CG1-CD1 4.25Å; V1865-L1940 HydrophobicContact CG2-CD1 4.24Å; Y1929-L1940 HydrophobicContact CE2-CB 4.21Å; Y1929-L1940 PolarHBondContact OH-N 3.04Å; Y1929-L1940 VanDerWaalsContact OH-N 3.11Å; L1930-L1940 HydrophobicContact CD1-CD1 4.45Å; H1938-L1940 PolarHBondContact O-N 3.06Å; H1938-L1940 VanDerWaalsContact O-N 3.16Å; L1940-A2030 HydrophobicContact CB-CB 3.8Å; L1940-A2030 WeakPolarHBondContact O-CB 3.4Å
1941A86.9Confident79.8Confident0 Ų046.1 Ų46.10%024%0.241CC..  trans-55.6131.3-175.900000111.3Y1929 S1939 I1968 N2022 A2023Y1929-A1941 HydrophobicContact CD2-CB 4.16Å; Y1929-A1941 HydrophobicContact CE1-CB 4.46Å; Y1929-A1941 VanDerWaalsContact CE2-CA 3.48Å; Y1929-A1941 HydrophobicContact CE2-CB 4.11Å; Y1929-A1941 VanDerWaalsContact CE2-N 3.32Å; Y1929-A1941 HydrophobicContact CG-CB 4.41Å; S1939-A1941 VanDerWaalsContact C-N 3.28Å; S1939-A1941 PolarHBondContact O-N 3.11Å; S1939-A1941 WeakPolarHBondContact OG-CB 3.31Å; S1939-A1941 PolarHBondContact OG-N 3.1Å; A1941-I1968 HydrophobicContact CB-CG2 4.43Å; A1941-N2022 WeakPolarHBondContact O-CB 3.4Å; A1941-A2023 HydrophobicContact CB-CB 4.1Å; A1941-A2023 WeakPolarHBondContact O-CB 3.39Å; A1941-A2023 PolarHBondContact O-N 3.17Å
1942P91.1Very high80.7Confident4.8 Ų4.846.8 Ų46.83%0.03125%0.248CC..BIsolated β-bridgetrans-64.6141.2-179.128.8-35.7000110.4W1945 I1968 L2031P1942-W1945 HydrophobicContact CB-CD2 4.46Å; P1942-W1945 HydrophobicContact CB-CE3 3.77Å; P1942-W1945 HydrophobicContact CB-CZ3 4Å; P1942-W1945 HydrophobicContact CG-CE3 4.48Å; P1942-W1945 HydrophobicContact CG-CZ3 4.35Å; P1942-W1945 WeakPolarHBondContact O-CZ3 3.47Å; P1942-I1968 HydrophobicContact CG-CD1 3.93Å; P1942-L2031 HydrophobicContact CG-CD2 4.33Å
1943R92.3Very high81.9Confident25.8 Ų25.839.4 Ų39.410%0.09722%0.22CC..  trans-127.1-37.7178.9-69.3-75.9168.9-108.8-2.4112.1N1964 D1965 I1968 A2023R1943-N1964 CarbonylContact O-C 3.54Å; R1943-N1964 VanDerWaalsContact O-CA 3.26Å; R1943-N1964 WeakPolarHBondContact O-CA 3.34Å; R1943-N1964 PolarHBondContact O-N 3.03Å; R1943-D1965 WeakPolarHBondContact CD-O 3.33Å; R1943-D1965 PolarHBondContact NH1-O 3.07Å; R1943-D1965 PolarHBondContact O-N 3.06Å; R1943-I1968 PolarHBondContact NH1-O 3.07Å; R1943-I1968 PolarHBondContact NH2-O 3.01Å; R1943-A2023 HydrophobicContact CG-CB 4.05Å
1944N93.9Very high83.3Confident26.8 Ų26.841.2 Ų41.214%0.14323%0.23CC..SBendtrans-126.9104.8-176.6-61.1-77.3000110.6H1962 N1964 T2018 T2019 G2020 T2021N1944-H1962 CarbonylContact C-O 3.54Å; N1944-H1962 VanDerWaalsContact CA-O 3.3Å; N1944-H1962 WeakPolarHBondContact CA-O 3.34Å; N1944-N1964 PolarHBondContact OD1-N 3.22Å; N1944-T2018 WeakPolarHBondContact O-CA 3.33Å; N1944-T2019 WeakPolarHBondContact CB-OG1 3.42Å; N1944-T2019 PolarHBondContact O-N 3.08Å; N1944-T2019 PolarHBondContact O-OG1 3.1Å; N1944-G2020 VanDerWaalsContact CB-N 3.31Å; N1944-T2021 PolarHBondContact N-O 3.35Å; N1944-T2021 PolarHBondContact ND2-O 3.03Å
1945W95.1Very high84.8Confident0.8 Ų0.840.6 Ų40.60%0.00323%0.23CC..EExtended strand (participates in β ladder)trans-152.1164178.574.192.3000112.6Y1925 L1927 P1942 H1962 D1965 I1968 W1978 I2016 Q2017 T2019Y1925-W1945 PolarHBondContact OH-NE1 2.87Å; L1927-W1945 HydrophobicContact CD1-CZ2 4.25Å; P1942-W1945 HydrophobicContact CB-CD2 4.46Å; P1942-W1945 HydrophobicContact CB-CE3 3.77Å; P1942-W1945 HydrophobicContact CB-CZ3 4Å; P1942-W1945 HydrophobicContact CG-CE3 4.48Å; P1942-W1945 HydrophobicContact CG-CZ3 4.35Å; P1942-W1945 WeakPolarHBondContact O-CZ3 3.47Å; W1945-H1962 HydrophobicContact CD2-CB 3.83Å; W1945-H1962 AromaticContact CE2-CD2 3.8Å; W1945-H1962 AromaticContact CE2-CG 3.57Å; W1945-H1962 AromaticContact CE2-ND1 3.98Å; W1945-H1962 HydrophobicContact CE3-CB 4.03Å; W1945-H1962 HydrophobicContact CG-CB 4.4Å; W1945-H1962 HydrophobicContact CH2-CB 4.06Å; W1945-H1962 AromaticContact CH2-ND1 3.99Å; W1945-H1962 HydrophobicContact CZ2-CB 3.83Å; W1945-H1962 AromaticContact CZ2-CE1 3.96Å; W1945-H1962 AromaticContact CZ2-CG 3.53Å; W1945-H1962 AromaticContact CZ2-ND1 3.47Å; W1945-H1962 WeakPolarHBondContact CZ2-ND1 3.26Å; W1945-H1962 HydrophobicContact CZ3-CB 4.15Å; W1945-H1962 PolarHBondContact N-O 3.06Å; W1945-H1962 AromaticContact NE1-CD2 3.52Å; W1945-H1962 AromaticContact NE1-CG 3.8Å; W1945-H1962 AromaticContact NE1-NE2 3.99Å; W1945-H1962 WeakPolarHBondContact O-CA 3.4Å; W1945-H1962 WeakPolarHBondContact O-CB 3.41Å; W1945-H1962 PolarHBondContact O-N 3.11Å; W1945-D1965 HydrophobicContact CH2-CB 3.75Å; W1945-D1965 HydrophobicContact CZ3-CB 3.95Å; W1945-I1968 HydrophobicContact CH2-CD1 4.42Å; W1945-W1978 AromaticContact CH2-CH2 3.9Å; W1945-W1978 HydrophobicContact CH2-CH2 3.95Å; W1945-W1978 AromaticContact CH2-CZ2 3.77Å; W1945-W1978 HydrophobicContact CH2-CZ2 3.77Å; W1945-W1978 AromaticContact CZ2-CH2 3.45Å; W1945-W1978 HydrophobicContact CZ2-CH2 3.45Å; W1945-W1978 VanDerWaalsContact CZ2-CH2 3.45Å; W1945-W1978 AromaticContact CZ2-CZ2 3.52Å; W1945-W1978 HydrophobicContact CZ2-CZ2 3.52Å; W1945-W1978 VanDerWaalsContact CZ2-CZ2 3.48Å; W1945-W1978 HydrophobicContact CZ2-CZ3 4.19Å; W1945-I2016 HydrophobicContact CG-CG2 4.47Å; W1945-Q2017 CarbonylContact C-O 3.56Å; W1945-Q2017 VanDerWaalsContact CA-O 3.24Å; W1945-Q2017 WeakPolarHBondContact CA-O 3.37Å; W1945-Q2017 WeakPolarHBondContact CB-O 3.37Å; W1945-T2019 PolarHBondContact N-OG1 2.91Å; W1945-T2019 VanDerWaalsContact N-OG1 3.16Å
1946K94.9Very high86.6Confident33.4 Ų33.438.4 Ų38.415%0.14520%0.201CC..EExtended strand (participates in β ladder)trans-128144.9170.758.3-178.7173.9164.50111.4E1948 V1958 R1960 E1961 I2016 Q2017 T2019K1946-E1948 HydrophobicContact CD-CG 4.06Å; K1946-E1948 WeakPolarHBondContact CD-OE1 3.41Å; K1946-E1948 WeakPolarHBondContact CE-OE1 3.32Å; K1946-E1948 HydrophobicContact CG-CG 4.12Å; K1946-E1948 IonicContact NZ-OE1 3.19Å; K1946-E1948 PolarHBondContact NZ-OE1 3.2Å; K1946-E1948 IonicContact NZ-OE2 2.72Å; K1946-V1958 HydrophobicContact CB-CG1 4.36Å; K1946-V1958 HydrophobicContact CD-CG2 4.26Å; K1946-R1960 WeakPolarHBondContact CA-O 3.37Å; K1946-E1961 HydrophobicContact CB-CB 4.3Å; K1946-E1961 HydrophobicContact CB-CG 4.22Å; K1946-I2016 WeakPolarHBondContact O-CA 3.3Å; K1946-Q2017 HydrophobicContact CG-CB 4.32Å; K1946-Q2017 PolarHBondContact N-O 2.95Å; K1946-Q2017 PolarHBondContact O-N 3.11Å; K1946-T2019 HydrophobicContact CB-CG2 3.94Å; K1946-T2019 HydrophobicContact CD-CG2 3.87Å; K1946-T2019 HydrophobicContact CG-CG2 3.68Å
1947L96.4Very high88.3Confident0 Ų039.1 Ų39.10%020%0.199CC..EExtended strand (participates in β ladder)trans-96.7116.8166.7176.766000108Y1925 L1959 R1960 I1980 F2014 I2016 F2036Y1925-L1947 HydrophobicContact CD1-CD2 3.77Å; Y1925-L1947 HydrophobicContact CD2-CD2 4.01Å; Y1925-L1947 HydrophobicContact CE1-CD2 3.94Å; Y1925-L1947 HydrophobicContact CE2-CB 4.47Å; Y1925-L1947 HydrophobicContact CE2-CD2 4.15Å; Y1925-L1947 HydrophobicContact CG-CD2 3.81Å; L1947-L1959 HydrophobicContact CD2-CB 4.41Å; L1947-L1959 HydrophobicContact CD2-CD1 4.37Å; L1947-L1959 HydrophobicContact CG-CB 4.41Å; L1947-L1959 HydrophobicContact CG-CD1 4.5Å; L1947-L1959 PolarHBondContact O-N 3.06Å; L1947-R1960 PolarHBondContact N-O 2.94Å; L1947-R1960 PolarHBondContact O-N 2.95Å; L1947-I1980 HydrophobicContact CD2-CD1 3.71Å; L1947-F2014 HydrophobicContact CD1-CB 4.49Å; L1947-I2016 HydrophobicContact CD1-CG1 4.06Å; L1947-F2036 HydrophobicContact CD1-CE1 4.23Å; L1947-F2036 HydrophobicContact CD1-CZ 4.44Å; L1947-F2036 HydrophobicContact CD2-CE1 4.36Å
1948E94.7Very high90.1Very high12 Ų1234.2 Ų34.26%0.05618%0.18CC..EExtended strand (participates in β ladder)trans-112.4151.8174.7-57-171.5147.200110.5K1946 W1956 I1957 V1958 F2014 K2015K1946-E1948 HydrophobicContact CD-CG 4.06Å; K1946-E1948 WeakPolarHBondContact CD-OE1 3.41Å; K1946-E1948 WeakPolarHBondContact CE-OE1 3.32Å; K1946-E1948 HydrophobicContact CG-CG 4.12Å; K1946-E1948 IonicContact NZ-OE1 3.19Å; K1946-E1948 PolarHBondContact NZ-OE1 3.2Å; K1946-E1948 IonicContact NZ-OE2 2.72Å; E1948-W1956 HydrophobicContact CB-CB 4.26Å; E1948-W1956 HydrophobicContact CB-CE3 3.88Å; E1948-I1957 CarbonylContact C-O 3.56Å; E1948-I1957 VanDerWaalsContact CA-O 3.23Å; E1948-I1957 WeakPolarHBondContact CA-O 3.35Å; E1948-V1958 HydrophobicContact CG-CG2 4.13Å; E1948-V1958 WeakPolarHBondContact OE1-CG2 3.36Å; E1948-F2014 CarbonylContact O-C 3.56Å; E1948-F2014 WeakPolarHBondContact O-CA 3.39Å; E1948-K2015 PolarHBondContact N-O 3.3Å; E1948-K2015 PolarHBondContact O-N 3.26Å; E1948-K2015 WeakPolarHBondContact OE2-CE 3.47Å; E1948-K2015 IonicContact OE2-NZ 3.49Å; E1948-K2015 PolarHBondContact OE2-NZ 2.99Å
1949A94.6Very high91.3Very high0 Ų030.1 Ų30.10%016%0.162CC..EExtended strand (participates in β ladder)trans-130.2154.8177.100000112.2W1956 I1957 L1959 W2011 F2013 F2014A1949-W1956 WeakPolarHBondContact O-CA 3.44Å; A1949-I1957 PolarHBondContact N-O 2.87Å; A1949-I1957 PolarHBondContact O-N 3.24Å; A1949-L1959 HydrophobicContact CB-CD1 3.56Å; A1949-L1959 HydrophobicContact CB-CD2 4.15Å; A1949-L1959 HydrophobicContact CB-CG 3.74Å; A1949-W2011 HydrophobicContact CB-CB 3.82Å; A1949-W2011 HydrophobicContact CB-CD2 3.96Å; A1949-W2011 HydrophobicContact CB-CE3 4.45Å; A1949-W2011 HydrophobicContact CB-CG 3.61Å; A1949-F2013 CarbonylContact C-O 3.5Å; A1949-F2013 VanDerWaalsContact CA-O 3.28Å; A1949-F2013 WeakPolarHBondContact CA-O 3.3Å; A1949-F2014 HydrophobicContact CB-CD1 3.82Å; A1949-F2014 HydrophobicContact CB-CE1 3.81Å
1950S93.4Very high92Very high0 Ų032.8 Ų32.80%017%0.167CC..EExtended strand (participates in β ladder)trans-153.8159.1-173.41770000112.2D1952 A1953 T1955 W1956 R2012 F2013S1950-D1952 PolarHBondContact OG-N 3.15Å; S1950-D1952 PolarHBondContact OG-OD1 3.13Å; S1950-A1953 WeakPolarHBondContact OG-CA 3.4Å; S1950-A1953 PolarHBondContact OG-N 3.16Å; S1950-T1955 WeakPolarHBondContact CB-O 3.43Å; S1950-T1955 PolarHBondContact OG-O 2.96Å; S1950-W1956 VanDerWaalsContact CB-CE3 3.47Å; S1950-W1956 VanDerWaalsContact CB-CZ3 3.5Å; S1950-R2012 PolarHBondContact O-N 3.13Å; S1950-R2012 VanDerWaalsContact O-N 3.14Å; S1950-F2013 PolarHBondContact N-O 2.9Å; S1950-F2013 PolarHBondContact O-N 3.26Å
1951N91.9Very high92.5Very high61.8 Ų61.835.9 Ų35.933%0.3318%0.181SC..SBendtrans-117.1-7.6173.8-82.5-42.6000113.8Q1919 G2010 W2011 R2012Q1919-N1951 PolarHBondContact NE2-OD1 3.29Å; N1951-G2010 PolarHBondContact ND2-O 2.94Å; N1951-G2010 PolarHBondContact OD1-O 3.23Å; N1951-W2011 HydrophobicContact CB-CE3 4.37Å; N1951-W2011 HydrophobicContact CB-CZ3 4.43Å; N1951-W2011 VanDerWaalsContact ND2-CZ3 3.34Å; N1951-W2011 WeakPolarHBondContact ND2-CZ3 3.3Å; N1951-W2011 WeakPolarHBondContact OD1-CA 3.46Å; N1951-R2012 PolarHBondContact OD1-N 2.96Å
1952D90.9Very high92.8Very high53.2 Ų53.236.1 Ų36.128%0.28418%0.182SC..SBendtrans-122-13.3179.756.19.9000113S1950 V1954 T1955 K2056S1950-D1952 PolarHBondContact OG-N 3.15Å; S1950-D1952 PolarHBondContact OG-OD1 3.13Å; D1952-V1954 VanDerWaalsContact C-N 3.28Å; D1952-V1954 HydrophobicContact CB-CB 4.45Å; D1952-V1954 PolarHBondContact O-N 3.35Å; D1952-V1954 WeakPolarHBondContact OD1-CA 3.27Å; D1952-V1954 PolarHBondContact OD1-N 2.94Å; D1952-T1955 VanDerWaalsContact CG-N 3.34Å; D1952-T1955 VanDerWaalsContact CG-OG1 3.29Å; D1952-T1955 PolarHBondContact OD1-N 3.26Å; D1952-T1955 PolarHBondContact OD1-OG1 3.02Å; D1952-T1955 WeakPolarHBondContact OD2-CB 3.46Å; D1952-T1955 PolarHBondContact OD2-N 3.22Å; D1952-T1955 PolarHBondContact OD2-OG1 3.09Å; D1952-K2056 VanDerWaalsContact O-CD 3.31Å; D1952-K2056 WeakPolarHBondContact O-CD 3.4Å; D1952-K2056 WeakPolarHBondContact O-CE 3.44Å; D1952-K2056 PolarHBondContact O-NZ 3.17Å
1953A90.3Very high93Very high0 Ų041.1 Ų41.10%021%0.209CC..SBendtrans66.316.9-166.800000115.1S1950 W1956 F2013 L2053 K2056S1950-A1953 WeakPolarHBondContact OG-CA 3.4Å; S1950-A1953 PolarHBondContact OG-N 3.16Å; A1953-W1956 HydrophobicContact CB-CZ2 4.21Å; A1953-W1956 PolarHBondContact O-NE1 3.1Å; A1953-F2013 HydrophobicContact CB-CD1 4.16Å; A1953-F2013 HydrophobicContact CB-CD2 3.96Å; A1953-F2013 HydrophobicContact CB-CE1 4.29Å; A1953-F2013 HydrophobicContact CB-CE2 4.11Å; A1953-F2013 HydrophobicContact CB-CG 3.99Å; A1953-F2013 HydrophobicContact CB-CZ 4.28Å; A1953-L2053 HydrophobicContact CB-CD1 3.82Å; A1953-K2056 HydrophobicContact CB-CB 4.25Å; A1953-K2056 HydrophobicContact CB-CD 4.09Å
1954V89Confident92.9Very high46.8 Ų46.844.7 Ų44.728%0.28423%0.23SC..SBendtrans-122.1-56.1-175177.60000110D1952 W1956 K2056 I2060D1952-V1954 VanDerWaalsContact C-N 3.28Å; D1952-V1954 HydrophobicContact CB-CB 4.45Å; D1952-V1954 PolarHBondContact O-N 3.35Å; D1952-V1954 WeakPolarHBondContact OD1-CA 3.27Å; D1952-V1954 PolarHBondContact OD1-N 2.94Å; V1954-W1956 VanDerWaalsContact O-CD1 3.23Å; V1954-K2056 HydrophobicContact CG2-CB 4.47Å; V1954-K2056 HydrophobicContact CG2-CD 4.38Å; V1954-K2056 HydrophobicContact CG2-CG 3.8Å; V1954-I2060 HydrophobicContact CB-CD1 4.31Å; V1954-I2060 HydrophobicContact CG1-CD1 3.62Å; V1954-I2060 HydrophobicContact CG1-CG1 3.79Å; V1954-I2060 VanDerWaalsContact O-CD1 3.25Å; V1954-I2060 WeakPolarHBondContact O-CD1 3.34Å
1955T89.4Confident92.8Very high90.2 Ų90.244.8 Ų44.855%0.55323%0.23SC*.SBendtrans-86.7126172.358.80000110S1950 D1952S1950-T1955 WeakPolarHBondContact CB-O 3.43Å; S1950-T1955 PolarHBondContact OG-O 2.96Å; D1952-T1955 VanDerWaalsContact CG-N 3.34Å; D1952-T1955 VanDerWaalsContact CG-OG1 3.29Å; D1952-T1955 PolarHBondContact OD1-N 3.26Å; D1952-T1955 PolarHBondContact OD1-OG1 3.02Å; D1952-T1955 WeakPolarHBondContact OD2-CB 3.46Å; D1952-T1955 PolarHBondContact OD2-N 3.22Å; D1952-T1955 PolarHBondContact OD2-OG1 3.09Å
1956W91.4Very high92.6Very high47.2 Ų47.250.3 Ų50.318%0.17926%0.259CS..  trans-121.4130.3-174.3-68.493.6000110.5T1913 E1948 A1949 S1950 A1953 V1954 F2013 K2015 I2057T1913-W1956 HydrophobicContact CG2-CH2 3.51Å; T1913-W1956 VanDerWaalsContact CG2-CH2 3.49Å; T1913-W1956 HydrophobicContact CG2-CZ2 4.08Å; T1913-W1956 HydrophobicContact CG2-CZ3 4.44Å; E1948-W1956 HydrophobicContact CB-CB 4.26Å; E1948-W1956 HydrophobicContact CB-CE3 3.88Å; A1949-W1956 WeakPolarHBondContact O-CA 3.44Å; S1950-W1956 VanDerWaalsContact CB-CE3 3.47Å; S1950-W1956 VanDerWaalsContact CB-CZ3 3.5Å; A1953-W1956 HydrophobicContact CB-CZ2 4.21Å; A1953-W1956 PolarHBondContact O-NE1 3.1Å; V1954-W1956 VanDerWaalsContact O-CD1 3.23Å; W1956-F2013 HydrophobicContact CH2-CB 3.7Å; W1956-F2013 HydrophobicContact CZ3-CB 4.18Å; W1956-K2015 HydrophobicContact CD2-CB 4.49Å; W1956-K2015 HydrophobicContact CE3-CB 3.86Å; W1956-K2015 HydrophobicContact CH2-CB 3.76Å; W1956-K2015 HydrophobicContact CZ2-CB 4.4Å; W1956-K2015 HydrophobicContact CZ3-CB 3.45Å; W1956-K2015 VanDerWaalsContact CZ3-CB 3.45Å; W1956-I2057 HydrophobicContact CZ2-CD1 4.34Å; W1956-I2057 HydrophobicContact CZ2-CG1 4.1Å
1957I92.2Very high92.3Very high84 Ų8451.4 Ų51.443%0.43127%0.271SS..EExtended strand (participates in β ladder)trans-111.1130.6174.2-57.7-168.2000108.8E1948 A1949 L1959 W2011E1948-I1957 CarbonylContact C-O 3.56Å; E1948-I1957 VanDerWaalsContact CA-O 3.23Å; E1948-I1957 WeakPolarHBondContact CA-O 3.35Å; A1949-I1957 PolarHBondContact N-O 2.87Å; A1949-I1957 PolarHBondContact O-N 3.24Å; I1957-L1959 PolarHBondContact O-N 3.11Å; I1957-W2011 HydrophobicContact CD1-CH2 3.56Å; I1957-W2011 HydrophobicContact CD1-CZ2 3.98Å; I1957-W2011 HydrophobicContact CD1-CZ3 4.48Å; I1957-W2011 HydrophobicContact CG1-CH2 4.2Å
1958V93.4Very high91.8Very high57.2 Ų57.251.4 Ų51.435%0.34727%0.271SS..EExtended strand (participates in β ladder)trans-69.5120.7173.9-174.10000109.3K1946 E1948 E1961K1946-V1958 HydrophobicContact CB-CG1 4.36Å; K1946-V1958 HydrophobicContact CD-CG2 4.26Å; E1948-V1958 HydrophobicContact CG-CG2 4.13Å; E1948-V1958 WeakPolarHBondContact OE1-CG2 3.36Å; V1958-E1961 HydrophobicContact CG1-CB 4.28Å
1959L92.9Very high91.2Very high24.6 Ų24.656.5 Ų56.513%0.12930%0.295CS..EExtended strand (participates in β ladder)trans-88.6-39172.7-64.9-173000111.8P1922 L1947 A1949 I1957 I1980 F2014P1922-L1959 HydrophobicContact CG-CD1 3.66Å; L1947-L1959 HydrophobicContact CD2-CB 4.41Å; L1947-L1959 HydrophobicContact CD2-CD1 4.37Å; L1947-L1959 HydrophobicContact CG-CB 4.41Å; L1947-L1959 HydrophobicContact CG-CD1 4.5Å; L1947-L1959 PolarHBondContact O-N 3.06Å; A1949-L1959 HydrophobicContact CB-CD1 3.56Å; A1949-L1959 HydrophobicContact CB-CD2 4.15Å; A1949-L1959 HydrophobicContact CB-CG 3.74Å; I1957-L1959 PolarHBondContact O-N 3.11Å; L1959-I1980 HydrophobicContact CB-CG2 4.12Å; L1959-I1980 HydrophobicContact CD1-CD1 4.46Å; L1959-I1980 HydrophobicContact CD1-CG2 4.47Å; L1959-F2014 HydrophobicContact CD1-CD1 4.31Å; L1959-F2014 HydrophobicContact CD1-CE1 4.04Å
1960R93.4Very high90.6Very high83.8 Ų83.859.4 Ų59.432%0.31632%0.315SS..EExtended strand (participates in β ladder)trans-156141.7175.5-164.7171.2171.2134.23110.7K1946 L1947 H1962 S1979K1946-R1960 WeakPolarHBondContact CA-O 3.37Å; L1947-R1960 PolarHBondContact N-O 2.94Å; L1947-R1960 PolarHBondContact O-N 2.95Å; R1960-H1962 WeakPolarHBondContact CD-NE2 3.35Å; R1960-H1962 WeakPolarHBondContact CG-NE2 3.36Å; R1960-H1962 PolarHBondContact NE-CE1 3.04Å; R1960-H1962 PolarHBondContact NE-NE2 3.06Å; R1960-S1979 PolarHBondContact NH1-O 2.93Å
1961E94Very high89.9Confident100.6 Ų100.663.4 Ų63.447%0.4734%0.34SS..EExtended strand (participates in β ladder)trans-119.3143.5175.1-174.2160.4-122.100109.9K1946 V1958 T2019K1946-E1961 HydrophobicContact CB-CB 4.3Å; K1946-E1961 HydrophobicContact CB-CG 4.22Å; V1958-E1961 HydrophobicContact CG1-CB 4.28Å; E1961-T2019 HydrophobicContact CG-CG2 4.43Å; E1961-T2019 VanDerWaalsContact OE1-CG2 3.31Å; E1961-T2019 WeakPolarHBondContact OE1-CG2 3.37Å
1962H94.4Very high89.1Confident5.8 Ų5.862.6 Ų62.63%0.02734%0.339CS..EExtended strand (participates in β ladder)trans-128.9115.1-174.3-64.7-107.1000108.2Y1925 N1944 W1945 R1960 D1965 W1978Y1925-H1962 AromaticContact CE1-NE2 3.89Å; Y1925-H1962 AromaticContact CZ-NE2 3.75Å; Y1925-H1962 PolarHBondContact OH-CD2 3.16Å; Y1925-H1962 PolarHBondContact OH-CE1 2.93Å; Y1925-H1962 PolarHBondContact OH-NE2 3.21Å; N1944-H1962 CarbonylContact C-O 3.54Å; N1944-H1962 VanDerWaalsContact CA-O 3.3Å; N1944-H1962 WeakPolarHBondContact CA-O 3.34Å; W1945-H1962 HydrophobicContact CD2-CB 3.83Å; W1945-H1962 AromaticContact CE2-CD2 3.8Å; W1945-H1962 AromaticContact CE2-CG 3.57Å; W1945-H1962 AromaticContact CE2-ND1 3.98Å; W1945-H1962 HydrophobicContact CE3-CB 4.03Å; W1945-H1962 HydrophobicContact CG-CB 4.4Å; W1945-H1962 HydrophobicContact CH2-CB 4.06Å; W1945-H1962 AromaticContact CH2-ND1 3.99Å; W1945-H1962 HydrophobicContact CZ2-CB 3.83Å; W1945-H1962 AromaticContact CZ2-CE1 3.96Å; W1945-H1962 AromaticContact CZ2-CG 3.53Å; W1945-H1962 AromaticContact CZ2-ND1 3.47Å; W1945-H1962 WeakPolarHBondContact CZ2-ND1 3.26Å; W1945-H1962 HydrophobicContact CZ3-CB 4.15Å; W1945-H1962 PolarHBondContact N-O 3.06Å; W1945-H1962 AromaticContact NE1-CD2 3.52Å; W1945-H1962 AromaticContact NE1-CG 3.8Å; W1945-H1962 AromaticContact NE1-NE2 3.99Å; W1945-H1962 WeakPolarHBondContact O-CA 3.4Å; W1945-H1962 WeakPolarHBondContact O-CB 3.41Å; W1945-H1962 PolarHBondContact O-N 3.11Å; R1960-H1962 WeakPolarHBondContact CD-NE2 3.35Å; R1960-H1962 WeakPolarHBondContact CG-NE2 3.36Å; R1960-H1962 PolarHBondContact NE-CE1 3.04Å; R1960-H1962 PolarHBondContact NE-NE2 3.06Å; H1962-D1965 HydrophobicContact CB-CB 4.04Å; H1962-D1965 IonicContact CE1-OD2 3.24Å; H1962-D1965 IonicContact CG-OD2 3.37Å; H1962-D1965 IonicContact ND1-OD2 3.06Å; H1962-D1965 PolarHBondContact ND1-OD2 3.18Å; H1962-W1978 AromaticContact CE1-CD1 3.57Å; H1962-W1978 AromaticContact CE1-CD2 3.57Å; H1962-W1978 AromaticContact CE1-CE2 3.53Å; H1962-W1978 AromaticContact CE1-CG 3.57Å; H1962-W1978 AromaticContact CE1-NE1 3.49Å; H1962-W1978 PolarHBondContact CE1-NE1 3.02Å; H1962-W1978 AromaticContact ND1-CE2 3.88Å; H1962-W1978 AromaticContact ND1-NE1 3.76Å
1963N93.5Very high88.3Confident109.8 Ų109.860.6 Ų60.659%0.58733%0.331SS*.SBendtrans-116.2117.3180-67.4-35000108.6D1965N1963-D1965 VanDerWaalsContact C-N 3.29Å; N1963-D1965 PolarHBondContact O-N 3.08Å
1964N90.8Very high87.7Confident101.6 Ų101.661.6 Ų61.654%0.54334%0.338SS..SBendtrans46.941.1-172.3-159.836.5000115.5R1943 N1944 L1966R1943-N1964 CarbonylContact O-C 3.54Å; R1943-N1964 VanDerWaalsContact O-CA 3.26Å; R1943-N1964 WeakPolarHBondContact O-CA 3.34Å; R1943-N1964 PolarHBondContact O-N 3.03Å; N1944-N1964 PolarHBondContact OD1-N 3.22Å; N1964-L1966 PolarHBondContact O-N 3.05Å
1965D92Very high87.4Confident28 Ų2861.5 Ų61.515%0.1533%0.332CS..  trans-69.7124.9-176.3-170.2-24.7000111.6R1943 W1945 H1962 N1963 S1967 W1978R1943-D1965 WeakPolarHBondContact CD-O 3.33Å; R1943-D1965 PolarHBondContact NH1-O 3.07Å; R1943-D1965 PolarHBondContact O-N 3.06Å; W1945-D1965 HydrophobicContact CH2-CB 3.75Å; W1945-D1965 HydrophobicContact CZ3-CB 3.95Å; H1962-D1965 HydrophobicContact CB-CB 4.04Å; H1962-D1965 IonicContact CE1-OD2 3.24Å; H1962-D1965 IonicContact CG-OD2 3.37Å; H1962-D1965 IonicContact ND1-OD2 3.06Å; H1962-D1965 PolarHBondContact ND1-OD2 3.18Å; N1963-D1965 VanDerWaalsContact C-N 3.29Å; N1963-D1965 PolarHBondContact O-N 3.08Å; D1965-S1967 VanDerWaalsContact OD1-CB 3.27Å; D1965-S1967 WeakPolarHBondContact OD1-CB 3.34Å; D1965-S1967 PolarHBondContact OD1-N 2.97Å; D1965-S1967 PolarHBondContact OD1-OG 3.11Å; D1965-W1978 PolarHBondContact OD2-NE1 3.11Å; D1965-W1978 VanDerWaalsContact OD2-NE1 3.08Å
1966L90.7Very high87.3Confident115.4 Ų115.457.8 Ų57.860%0.60431%0.311SS*.  trans-97.1-3.5-177.1-58.3-175.3000114N1964 I1968N1964-L1966 PolarHBondContact O-N 3.05Å; L1966-I1968 VanDerWaalsContact C-N 3.26Å; L1966-I1968 CarbonylContact O-C 3.56Å; L1966-I1968 PolarHBondContact O-N 3.09Å
1967S88.4Confident87.2Confident57 Ų5757.8 Ų57.840%0.39932%0.316SS..SBendtrans-61.4-31.3-175.8-9.50000113.1D1965 W1978D1965-S1967 VanDerWaalsContact OD1-CB 3.27Å; D1965-S1967 WeakPolarHBondContact OD1-CB 3.34Å; D1965-S1967 PolarHBondContact OD1-N 2.97Å; D1965-S1967 PolarHBondContact OD1-OG 3.11Å; S1967-W1978 VanDerWaalsContact OG-CZ2 3.27Å; S1967-W1978 WeakPolarHBondContact OG-CZ2 3.46Å; S1967-W1978 PolarHBondContact OG-NE1 3.26Å
1968I86.4Confident87.2Confident0 Ų054.6 Ų54.60%030%0.299CS..SBendtrans-84113164.9-67.3179.7000109L1927 Y1929 A1941 P1942 R1943 W1945 L1966 A1976 W1978L1927-I1968 HydrophobicContact CB-CD1 3.9Å; Y1929-I1968 HydrophobicContact CG-CG2 4.44Å; A1941-I1968 HydrophobicContact CB-CG2 4.43Å; P1942-I1968 HydrophobicContact CG-CD1 3.93Å; R1943-I1968 PolarHBondContact NH1-O 3.07Å; R1943-I1968 PolarHBondContact NH2-O 3.01Å; W1945-I1968 HydrophobicContact CH2-CD1 4.42Å; L1966-I1968 VanDerWaalsContact C-N 3.26Å; L1966-I1968 CarbonylContact O-C 3.56Å; L1966-I1968 PolarHBondContact O-N 3.09Å; I1968-A1976 HydrophobicContact CG1-CB 4.06Å; I1968-W1978 HydrophobicContact CD1-CH2 3.83Å; I1968-W1978 HydrophobicContact CG1-CH2 4.03Å; I1968-W1978 HydrophobicContact CG1-CZ2 4.4Å
1969Q82.7Confident87.1Confident118.8 Ų118.855.1 Ų55.156%0.55531%0.305SS*.  trans-77.2160173.8-56.1-177.70.900111V1971 S1974Q1969-V1971 HydrophobicContact CB-CB 4.49Å; Q1969-V1971 HydrophobicContact CB-CG2 4.3Å; Q1969-V1971 PolarHBondContact O-N 3.19Å; Q1969-V1971 VanDerWaalsContact O-N 3.1Å; Q1969-S1974 WeakPolarHBondContact CB-OG 3.4Å; Q1969-S1974 PolarHBondContact N-OG 3.08Å; Q1969-S1974 VanDerWaalsContact N-OG 3.09Å; Q1969-S1974 WeakPolarHBondContact O-CB 3.38Å
1970S81.7Confident87Confident60.6 Ų60.654.5 Ų54.542%0.42430%0.301SS..SBendtrans-70.64.5176.3-61.10000114.4Y1929 S1939Y1929-S1970 WeakPolarHBondContact CE1-O 3.36Å; S1939-S1970 WeakPolarHBondContact CB-OG 3.37Å; S1939-S1970 VanDerWaalsContact OG-CB 3.24Å; S1939-S1970 WeakPolarHBondContact OG-CB 3.36Å; S1939-S1970 PolarHBondContact OG-OG 3.1Å
1971V77.5Confident86.1Confident85.4 Ų85.456.6 Ų56.652%0.51832%0.319SS..SBendtrans-84.2140.5-175.8-177.40000110.7Q1969 G1973 S1974Q1969-V1971 HydrophobicContact CB-CB 4.49Å; Q1969-V1971 HydrophobicContact CB-CG2 4.3Å; Q1969-V1971 PolarHBondContact O-N 3.19Å; Q1969-V1971 VanDerWaalsContact O-N 3.1Å; V1971-G1973 PolarHBondContact O-N 3.26Å; V1971-G1973 VanDerWaalsContact O-N 3.12Å; V1971-S1974 VanDerWaalsContact O-CB 3.26Å; V1971-S1974 WeakPolarHBondContact O-CB 3.38Å; V1971-S1974 PolarHBondContact O-N 3.04Å; V1971-S1974 VanDerWaalsContact O-N 3.1Å
1972S76.4Confident84.5Confident44.8 Ų44.854.3 Ų54.331%0.31331%0.314SS..THydrogen-bonded Turntrans-47.4118.3178.7-162.10000112.7L1930 R1931 R1932 A1933 D1934 S1974L1930-S1972 CarbonylContact O-C 3.59Å; L1930-S1972 WeakPolarHBondContact O-CA 3.37Å; L1930-S1972 PolarHBondContact O-OG 3.25Å; R1931-S1972 VanDerWaalsContact C-OG 3.23Å; R1931-S1972 VanDerWaalsContact CA-OG 3.22Å; R1931-S1972 WeakPolarHBondContact CA-OG 3.49Å; R1932-S1972 WeakPolarHBondContact CA-OG 3.45Å; R1932-S1972 PolarHBondContact N-OG 3.15Å; A1933-S1972 PolarHBondContact N-OG 3.18Å; D1934-S1972 VanDerWaalsContact CG-OG 3.32Å; D1934-S1972 WeakPolarHBondContact OD1-CB 3.33Å; D1934-S1972 PolarHBondContact OD1-OG 3.43Å; D1934-S1972 WeakPolarHBondContact OD2-CB 3.43Å; D1934-S1972 PolarHBondContact OD2-N 2.94Å; D1934-S1972 PolarHBondContact OD2-OG 3.02Å; S1972-S1974 VanDerWaalsContact C-N 3.34Å; S1972-S1974 PolarHBondContact O-N 3.19Å
1973G73Confident82.5Confident11.8 Ų11.863.3 Ų63.312%0.12235%0.349CS..THydrogen-bonded Turntrans739.9178.500000116.3L1930 V1971 R1975L1930-G1973 PolarHBondContact O-N 2.92Å; V1971-G1973 PolarHBondContact O-N 3.26Å; V1971-G1973 VanDerWaalsContact O-N 3.12Å; G1973-R1975 WeakPolarHBondContact O-CG 3.32Å; G1973-R1975 PolarHBondContact O-N 2.93Å; G1973-R1975 PolarHBondContact O-NE 3.39Å; G1973-R1975 VanDerWaalsContact O-NE 3.11Å; G1973-R1975 PolarHBondContact O-NH2 3.03Å
1974S79.3Confident80.2Confident20.6 Ų20.663.1 Ų63.114%0.14434%0.344CS..  trans-52.1141.5172.4-176.60000111.3A1928 Y1929 Q1969 V1971 S1972A1928-S1974 CarbonylContact C-O 3.5Å; A1928-S1974 VanDerWaalsContact CA-O 3.29Å; A1928-S1974 WeakPolarHBondContact CA-O 3.4Å; Y1929-S1974 PolarHBondContact N-O 3.03Å; Q1969-S1974 WeakPolarHBondContact CB-OG 3.4Å; Q1969-S1974 PolarHBondContact N-OG 3.08Å; Q1969-S1974 VanDerWaalsContact N-OG 3.09Å; Q1969-S1974 WeakPolarHBondContact O-CB 3.38Å; V1971-S1974 VanDerWaalsContact O-CB 3.26Å; V1971-S1974 WeakPolarHBondContact O-CB 3.38Å; V1971-S1974 PolarHBondContact O-N 3.04Å; V1971-S1974 VanDerWaalsContact O-N 3.1Å; S1972-S1974 VanDerWaalsContact C-N 3.34Å; S1972-S1974 PolarHBondContact O-N 3.19Å
1975R82.9Confident77.5Confident43.4 Ų43.465.1 Ų65.116%0.16436%0.355CS..EExtended strand (participates in β ladder)trans-136.8151.7-174.3-29.2-172100.5137.92.6111.9S1793 S1794 Q1847 A1848 R1858 T1926 L1927 A1928 G1973S1793-R1975 WeakPolarHBondContact OG-CD 3.2Å; S1794-R1975 WeakPolarHBondContact O-CD 3.43Å; S1794-R1975 PolarHBondContact O-NE 2.75Å; S1794-R1975 PolarHBondContact O-NH1 3.21Å; S1794-R1975 WeakPolarHBondContact OG-CB 3.49Å; S1794-R1975 WeakPolarHBondContact OG-CD 3.49Å; S1794-R1975 WeakPolarHBondContact OG-CG 3.49Å; S1794-R1975 PolarHBondContact OG-NE 2.85Å; S1794-R1975 VanDerWaalsContact OG-NE 3.11Å; Q1847-R1975 VanDerWaalsContact CB-NH1 3.33Å; A1848-R1975 VanDerWaalsContact O-CZ 3.24Å; A1848-R1975 PolarHBondContact O-NH1 2.78Å; A1848-R1975 PolarHBondContact O-NH2 3.1Å; R1858-R1975 PolarHBondContact O-NH2 2.95Å; T1926-R1975 HydrophobicContact CG2-CB 4.36Å; T1926-R1975 HydrophobicContact CG2-CG 4.39Å; L1927-R1975 WeakPolarHBondContact O-CA 3.4Å; L1927-R1975 VanDerWaalsContact O-CB 3.29Å; L1927-R1975 WeakPolarHBondContact O-CB 3.25Å; A1928-R1975 HydrophobicContact CB-CB 3.96Å; A1928-R1975 HydrophobicContact CB-CG 3.58Å; A1928-R1975 VanDerWaalsContact CB-CG 3.44Å; G1973-R1975 WeakPolarHBondContact O-CG 3.32Å; G1973-R1975 PolarHBondContact O-N 2.93Å; G1973-R1975 PolarHBondContact O-NE 3.39Å; G1973-R1975 VanDerWaalsContact O-NE 3.11Å; G1973-R1975 PolarHBondContact O-NH2 3.03Å
1976A86.6Confident74.7Confident12.4 Ų12.469.7 Ų69.710%0.10238%0.38CS..EExtended strand (participates in β ladder)trans-141.4150.617100000110.2T1926 L1927 I1968 W1978T1926-A1976 VanDerWaalsContact CA-O 3.31Å; T1926-A1976 WeakPolarHBondContact CA-O 3.31Å; T1926-A1976 WeakPolarHBondContact CG2-O 3.32Å; L1927-A1976 PolarHBondContact N-O 3.16Å; L1927-A1976 VanDerWaalsContact N-O 3.08Å; L1927-A1976 PolarHBondContact O-N 3.08Å; L1927-A1976 VanDerWaalsContact O-N 3.08Å; I1968-A1976 HydrophobicContact CG1-CB 4.06Å; A1976-W1978 HydrophobicContact CB-CH2 3.69Å; A1976-W1978 HydrophobicContact CB-CZ2 3.52Å; A1976-W1978 VanDerWaalsContact CB-CZ2 3.48Å; A1976-W1978 HydrophobicContact CB-CZ3 4.26Å; A1976-W1978 VanDerWaalsContact O-CZ3 3.27Å; A1976-W1978 WeakPolarHBondContact O-CZ3 3.36Å
1977T88.7Confident72.1Confident49 Ų4975.2 Ų75.230%0.30139%0.394SS..EExtended strand (participates in β ladder)trans-123.6135.4178.6-54.60000108.8P1788 S1794 A1924 Y1925 T1926 Y2037P1788-T1977 HydrophobicContact CG-CG2 3.85Å; S1794-T1977 PolarHBondContact OG-OG1 2.89Å; A1924-T1977 HydrophobicContact CB-CG2 4.31Å; Y1925-T1977 CarbonylContact O-C 3.52Å; Y1925-T1977 WeakPolarHBondContact O-CA 3.35Å; Y1925-T1977 WeakPolarHBondContact O-CG2 3.25Å; T1926-T1977 WeakPolarHBondContact OG1-CB 3.48Å; T1926-T1977 WeakPolarHBondContact OG1-CG2 3.33Å; T1926-T1977 PolarHBondContact OG1-OG1 3.08Å; T1977-Y2037 HydrophobicContact CG2-CE2 4.14Å
1978W92.2Very high69.5Low16.4 Ų16.480.4 Ų80.46%0.06242%0.417CS..EExtended strand (participates in β ladder)trans-129.9134.8-178.7-55.5-91.5000111.1A1924 Y1925 L1927 W1945 H1962 D1965 S1967 I1968 A1976A1924-W1978 CarbonylContact C-O 3.52Å; A1924-W1978 WeakPolarHBondContact CA-O 3.4Å; A1924-W1978 WeakPolarHBondContact CB-O 3.36Å; Y1925-W1978 HydrophobicContact CD1-CB 4.27Å; Y1925-W1978 HydrophobicContact CD1-CE3 4.24Å; Y1925-W1978 HydrophobicContact CD2-CE3 4.46Å; Y1925-W1978 HydrophobicContact CE1-CB 3.94Å; Y1925-W1978 HydrophobicContact CE1-CD2 4.27Å; Y1925-W1978 AromaticContact CE1-CE3 3.74Å; Y1925-W1978 HydrophobicContact CE1-CE3 3.74Å; Y1925-W1978 HydrophobicContact CE1-CG 4.43Å; Y1925-W1978 HydrophobicContact CE1-CZ3 4.44Å; Y1925-W1978 HydrophobicContact CE2-CE3 4.12Å; Y1925-W1978 HydrophobicContact CE2-CZ3 4.17Å; Y1925-W1978 AromaticContact CZ-CE3 3.67Å; Y1925-W1978 AromaticContact CZ-CZ3 3.95Å; Y1925-W1978 PolarHBondContact N-O 3.21Å; Y1925-W1978 PolarHBondContact O-N 3.21Å; L1927-W1978 HydrophobicContact CB-CH2 4.12Å; L1927-W1978 HydrophobicContact CB-CZ3 3.79Å; L1927-W1978 HydrophobicContact CD1-CH2 4.34Å; L1927-W1978 HydrophobicContact CD1-CZ3 4.07Å; L1927-W1978 HydrophobicContact CG-CH2 4.32Å; L1927-W1978 HydrophobicContact CG-CZ3 3.88Å; W1945-W1978 AromaticContact CH2-CH2 3.9Å; W1945-W1978 HydrophobicContact CH2-CH2 3.95Å; W1945-W1978 AromaticContact CH2-CZ2 3.77Å; W1945-W1978 HydrophobicContact CH2-CZ2 3.77Å; W1945-W1978 AromaticContact CZ2-CH2 3.45Å; W1945-W1978 HydrophobicContact CZ2-CH2 3.45Å; W1945-W1978 VanDerWaalsContact CZ2-CH2 3.45Å; W1945-W1978 AromaticContact CZ2-CZ2 3.52Å; W1945-W1978 HydrophobicContact CZ2-CZ2 3.52Å; W1945-W1978 VanDerWaalsContact CZ2-CZ2 3.48Å; W1945-W1978 HydrophobicContact CZ2-CZ3 4.19Å; H1962-W1978 AromaticContact CE1-CD1 3.57Å; H1962-W1978 AromaticContact CE1-CD2 3.57Å; H1962-W1978 AromaticContact CE1-CE2 3.53Å; H1962-W1978 AromaticContact CE1-CG 3.57Å; H1962-W1978 AromaticContact CE1-NE1 3.49Å; H1962-W1978 PolarHBondContact CE1-NE1 3.02Å; H1962-W1978 AromaticContact ND1-CE2 3.88Å; H1962-W1978 AromaticContact ND1-NE1 3.76Å; D1965-W1978 PolarHBondContact OD2-NE1 3.11Å; D1965-W1978 VanDerWaalsContact OD2-NE1 3.08Å; S1967-W1978 VanDerWaalsContact OG-CZ2 3.27Å; S1967-W1978 WeakPolarHBondContact OG-CZ2 3.46Å; S1967-W1978 PolarHBondContact OG-NE1 3.26Å; I1968-W1978 HydrophobicContact CD1-CH2 3.83Å; I1968-W1978 HydrophobicContact CG1-CH2 4.03Å; I1968-W1978 HydrophobicContact CG1-CZ2 4.4Å; A1976-W1978 HydrophobicContact CB-CH2 3.69Å; A1976-W1978 HydrophobicContact CB-CZ2 3.52Å; A1976-W1978 VanDerWaalsContact CB-CZ2 3.48Å; A1976-W1978 HydrophobicContact CB-CZ3 4.26Å; A1976-W1978 VanDerWaalsContact O-CZ3 3.27Å; A1976-W1978 WeakPolarHBondContact O-CZ3 3.36Å
1979S91.5Very high66.8Low68 Ų6883.8 Ų83.848%0.47644%0.441SS..EExtended strand (participates in β ladder)trans-64151.916951.40000112T1923 R1960T1923-S1979 CarbonylContact O-C 3.5Å; T1923-S1979 WeakPolarHBondContact O-CA 3.35Å; R1960-S1979 PolarHBondContact NH1-O 2.93Å
1980I90.2Very high64.4Low10.6 Ų10.685.7 Ų85.75%0.05446%0.455CS..  trans-121.9113.8173.4-64.6163.1000106.6P1922 T1923 Y1925 L1947 L1959 S1982P1922-I1980 HydrophobicContact CB-CD1 3.88Å; P1922-I1980 HydrophobicContact CG-CD1 4.05Å; P1922-I1980 HydrophobicContact CG-CG2 4.44Å; T1923-I1980 PolarHBondContact O-N 3.27Å; Y1925-I1980 HydrophobicContact CD1-CD1 3.94Å; Y1925-I1980 HydrophobicContact CD1-CG1 4.22Å; Y1925-I1980 HydrophobicContact CG-CD1 4.46Å; L1947-I1980 HydrophobicContact CD2-CD1 3.71Å; L1959-I1980 HydrophobicContact CB-CG2 4.12Å; L1959-I1980 HydrophobicContact CD1-CD1 4.46Å; L1959-I1980 HydrophobicContact CD1-CG2 4.47Å; I1980-S1982 PolarHBondContact O-N 3.32Å; I1980-S1982 VanDerWaalsContact O-N 3.09Å
1981N76Confident62.2Low129.4 Ų129.492.5 Ų92.569%0.69248%0.477SS*.  trans-69.5106.8177.6-69.55.1000108.4Y1983N1981-Y1983 PolarHBondContact O-N 3.17Å; N1981-Y1983 VanDerWaalsContact O-N 3.16Å
1982S60.2Low60Low50.8 Ų50.893.1 Ų93.136%0.35549%0.491SS..  trans-63.7114.3178.5-65.40000110.1I1980 H1984I1980-S1982 PolarHBondContact O-N 3.32Å; I1980-S1982 VanDerWaalsContact O-N 3.09Å; S1982-H1984 PolarHBondContact O-N 2.99Å
1983Y52.2Low58.1Low195.8 Ų195.899.4 Ų99.477%0.76852%0.516SS*.  trans-69.967.6178.3-78.5-80.8000112.5N1981N1981-Y1983 PolarHBondContact O-N 3.17Å; N1981-Y1983 VanDerWaalsContact O-N 3.16Å
1984H45.5Very low56.1Low105.2 Ų105.2105 Ų10549%0.48755%0.548SS..  trans-68.9137.3160.8-83.3-107.5000109.7S1982 N1986 I2008S1982-H1984 PolarHBondContact O-N 2.99Å; H1984-N1986 PolarHBondContact O-N 3.31Å; H1984-N1986 VanDerWaalsContact O-N 3.07Å; H1984-I2008 WeakPolarHBondContact CE1-CD1 3.3Å
1985N34.2Very low54.3Low143.4 Ų143.4111.7 Ų111.777%0.76758%0.58SS**SBendtrans63.541157.1-51.7-15.3000118.6Y1987N1985-Y1987 PolarHBondContact O-N 2.84Å
1986N33.2Very low52Low124.6 Ų124.6114.6 Ų114.667%0.66661%0.608SS**  trans-132.111.5170-104.4-29000118.2H1984 N1988 S1989H1984-N1986 PolarHBondContact O-N 3.31Å; H1984-N1986 VanDerWaalsContact O-N 3.07Å; N1986-N1988 VanDerWaalsContact C-N 3.3Å; N1986-N1988 PolarHBondContact O-N 3.26Å; N1986-N1988 VanDerWaalsContact O-N 3.12Å; N1986-S1989 PolarHBondContact OD1-OG 3.49Å
1987Y36.1Very low49.4Very low231 Ų231119 Ų11991%0.90664%0.638SS**SBendtrans-94.661.7163.1-94.1-79.7000111.4N1985N1985-Y1987 PolarHBondContact O-N 2.84Å
1988N33Very low46.8Very low166.4 Ų166.4122.8 Ų122.889%0.8966%0.661SS**SBendtrans169.541.1167.4-90.3-7.2000113.7N1986N1986-N1988 VanDerWaalsContact C-N 3.3Å; N1986-N1988 PolarHBondContact O-N 3.26Å; N1986-N1988 VanDerWaalsContact O-N 3.12Å
1989S30.3Very low44.2Very low71.4 Ų71.4129.6 Ų129.650%0.49970%0.697SS.*SBendtrans-132.147.5170.6172.90000111.6N1986 K1991N1986-S1989 PolarHBondContact OD1-OG 3.49Å; S1989-K1991 VanDerWaalsContact C-N 3.31Å; S1989-K1991 PolarHBondContact O-N 2.96Å
1990N32.4Very low41.4Very low157.8 Ų157.8134.4 Ų134.484%0.84472%0.718SS**SBendtrans-143.745.2173.8-73.8-4.6000113.5
1991K35.4Very low38.8Very low203.6 Ų203.6140 Ų14089%0.88575%0.753SS**  trans-155.138.2161.7-127.4172.3-172.7177.40113.1S1989 E1993S1989-K1991 VanDerWaalsContact C-N 3.31Å; S1989-K1991 PolarHBondContact O-N 2.96Å; K1991-E1993 VanDerWaalsContact C-N 3.29Å; K1991-E1993 PolarHBondContact O-N 3.18Å
1992A30.7Very low36.7Very low99.6 Ų99.6138.3 Ų138.382%0.82376%0.756SS**  trans-94.454.6177.800000111.6T1994A1992-T1994 PolarHBondContact O-N 3.11Å
1993E36.3Very low35.1Very low175.2 Ų175.2141.8 Ų141.882%0.81978%0.779SS**  trans-113.2124.1167.6-81.2-175.3152.900110.7K1991 I1995K1991-E1993 VanDerWaalsContact C-N 3.29Å; K1991-E1993 PolarHBondContact O-N 3.18Å; E1993-I1995 PolarHBondContact O-N 3.22Å
1994T31.8Very low34.3Very low129.4 Ų129.4138.1 Ų138.179%0.79478%0.778SS**SBendtrans5694152.5-42.70000117.7A1992A1992-T1994 PolarHBondContact O-N 3.11Å
1995I41.5Very low33.9Very low162.2 Ų162.2142.8 Ų142.883%0.83280%0.796SS**  trans-178.2117.7132.8-85155.9000110.9E1993E1993-I1995 PolarHBondContact O-N 3.22Å
1996S33.5Very low34.2Very low105.2 Ų105.2145.2 Ų145.274%0.73680%0.8SS**  trans-48.6141.9165.6-540000116.7
1997S33.7Very low35.1Very low104.8 Ų104.8143.8 Ų143.873%0.73380%0.8SS**  trans71.1140.6145.573.30000120.4
1998T34.1Very low36.1Very low128.8 Ų128.8136.9 Ų136.979%0.7978%0.778SS**  trans66.289.1159.3-5.80000117.9
1999L36.4Very low37.9Very low158.6 Ų158.6138.1 Ų138.183%0.8377%0.77SS**  -173.1117.3127.1-102161.2000110.7T2001L1999-T2001 PolarHBondContact O-N 3.35Å
2000N32Very low40.6Very low168.2 Ų168.2134.7 Ų134.790%0.89975%0.746SS**  trans-85.5113.8176.5-73.2-15.8000110.7
2001T37.2Very low43.5Very low128.8 Ų128.8129.7 Ų129.779%0.7972%0.716SS**  trans-144.4140.5165.8-54.70000109.3L1999 C2003L1999-T2001 PolarHBondContact O-N 3.35Å; T2001-C2003 PolarHBondContact O-N 3.09Å
2002A31.8Very low46.3Very low93.4 Ų93.4121.2 Ų121.277%0.77268%0.678SS**  trans-62.8114.6-166.700000114.3T2004A2002-T2004 PolarHBondContact O-N 3.18Å; A2002-T2004 VanDerWaalsContact O-N 3.16Å
2003C26.9Very low49.4Very low124.2 Ų124.2116.7 Ų116.784%0.83964%0.64SS**  trans-80.5103.9171.1-172.90000110.2T2001 K2005T2001-C2003 PolarHBondContact O-N 3.09Å; C2003-K2005 PolarHBondContact O-N 3.22Å; C2003-K2005 VanDerWaalsContact O-N 3.17Å
2004T34.2Very low52.2Low118.6 Ų118.6108.4 Ų108.473%0.72860%0.601SS**  trans-77121.1174.650.10000110.5A2002 K2006A2002-T2004 PolarHBondContact O-N 3.18Å; A2002-T2004 VanDerWaalsContact O-N 3.16Å; T2004-K2006 PolarHBondContact O-N 3.08Å
2005K38.2Very low55.3Low202.6 Ų202.6102.8 Ų102.888%0.88157%0.566SS**  trans-59.1102.9171.7-72.9-177.4178.1178.80109.4C2003 S2007C2003-K2005 PolarHBondContact O-N 3.22Å; C2003-K2005 VanDerWaalsContact O-N 3.17Å; K2005-S2007 VanDerWaalsContact C-N 3.32Å; K2005-S2007 PolarHBondContact O-N 3.25Å; K2005-S2007 VanDerWaalsContact O-N 3.11Å
2006K39.8Very low57.9Low195.8 Ų195.895.2 Ų95.285%0.85153%0.527SS*.  trans-73.398.8-178.8-146.7175.7-174.9177.80109.2T2004 I2008T2004-K2006 PolarHBondContact O-N 3.08Å; K2006-I2008 PolarHBondContact O-N 3.1Å; K2006-I2008 VanDerWaalsContact O-N 3.11Å
2007S51Low60.7Low95 Ų9591 Ų9166%0.66450%0.496SS*.  trans-51.7130.7179.8-177.30000111.3K2005 R2009K2005-S2007 VanDerWaalsContact C-N 3.32Å; K2005-S2007 PolarHBondContact O-N 3.25Å; K2005-S2007 VanDerWaalsContact O-N 3.11Å; S2007-R2009 PolarHBondContact O-N 2.99Å
2008I57.3Low63.6Low85.6 Ų85.686.4 Ų86.444%0.43946%0.463SS..  trans-71.1112.1-178.8-54.5165.6000108I1921 H1984 K2006 G2010I1921-I2008 HydrophobicContact CD1-CB 4.34Å; I1921-I2008 HydrophobicContact CD1-CG2 3.54Å; I1921-I2008 VanDerWaalsContact CD1-CG2 3.45Å; H1984-I2008 WeakPolarHBondContact CE1-CD1 3.3Å; K2006-I2008 PolarHBondContact O-N 3.1Å; K2006-I2008 VanDerWaalsContact O-N 3.11Å; I2008-G2010 PolarHBondContact O-N 3.17Å
2009R71.4Confident66.4Low190.4 Ų190.481.9 Ų81.972%0.71844%0.436SS*.  trans-93.6117.9173.3-65.6-175.2178.4-172.7-1.2108.8S2007 Y2041S2007-R2009 PolarHBondContact O-N 2.99Å; R2009-Y2041 HydrophobicContact CB-CD1 3.87Å; R2009-Y2041 HydrophobicContact CB-CD2 4.15Å; R2009-Y2041 HydrophobicContact CB-CE1 4.12Å; R2009-Y2041 HydrophobicContact CB-CE2 4.39Å; R2009-Y2041 HydrophobicContact CB-CG 3.86Å; R2009-Y2041 HydrophobicContact CG-CD1 4.48Å; R2009-Y2041 HydrophobicContact CG-CE1 4.31Å; R2009-Y2041 PolarHBondContact NH1-OH 3.41Å
2010G86.9Confident68.9Low0.8 Ų0.875.4 Ų75.41%0.00841%0.407CS..  trans-68.1-157.6169.300000112.9Q1919 L1920 N1951 I2008Q1919-G2010 VanDerWaalsContact NE2-C 3.3Å; Q1919-G2010 PolarHBondContact NE2-O 3.19Å; L1920-G2010 CarbonylContact O-C 3.49Å; L1920-G2010 VanDerWaalsContact O-CA 3.32Å; L1920-G2010 WeakPolarHBondContact O-CA 3.47Å; N1951-G2010 PolarHBondContact ND2-O 2.94Å; N1951-G2010 PolarHBondContact OD1-O 3.23Å; I2008-G2010 PolarHBondContact O-N 3.17Å
2011W92.9Very high71.7Confident53.2 Ų53.270.3 Ų70.320%0.20238%0.382CS..EExtended strand (participates in β ladder)trans-125.8148.4-175.7-55.5103.2000111.6L1920 A1949 N1951 I1957 F2014L1920-W2011 PolarHBondContact N-O 3.02Å; L1920-W2011 PolarHBondContact O-N 2.97Å; A1949-W2011 HydrophobicContact CB-CB 3.82Å; A1949-W2011 HydrophobicContact CB-CD2 3.96Å; A1949-W2011 HydrophobicContact CB-CE3 4.45Å; A1949-W2011 HydrophobicContact CB-CG 3.61Å; N1951-W2011 HydrophobicContact CB-CE3 4.37Å; N1951-W2011 HydrophobicContact CB-CZ3 4.43Å; N1951-W2011 VanDerWaalsContact ND2-CZ3 3.34Å; N1951-W2011 WeakPolarHBondContact ND2-CZ3 3.3Å; N1951-W2011 WeakPolarHBondContact OD1-CA 3.46Å; I1957-W2011 HydrophobicContact CD1-CH2 3.56Å; I1957-W2011 HydrophobicContact CD1-CZ2 3.98Å; I1957-W2011 HydrophobicContact CD1-CZ3 4.48Å; I1957-W2011 HydrophobicContact CG1-CH2 4.2Å; W2011-F2014 HydrophobicContact CB-CE1 3.97Å; W2011-F2014 HydrophobicContact CB-CE2 4.38Å; W2011-F2014 HydrophobicContact CB-CZ 3.67Å
2012R94Very high74.3Confident24 Ų2464.5 Ų64.59%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-102.9-44.1179174.3178.5169.3158.5-2.7113.1D1915 L1916 L1918 S1950 N1951 H2044 S2046D1915-R2012 VanDerWaalsContact OD1-CG 3.3Å; D1915-R2012 WeakPolarHBondContact OD1-CG 3.36Å; D1915-R2012 IonicContact OD1-CZ 3.38Å; D1915-R2012 IonicContact OD1-NE 3.02Å; D1915-R2012 PolarHBondContact OD1-NE 3.19Å; D1915-R2012 IonicContact OD1-NH2 3.03Å; D1915-R2012 PolarHBondContact OD1-NH2 3.12Å; D1915-R2012 IonicContact OD2-CZ 3.52Å; D1915-R2012 IonicContact OD2-NE 2.92Å; D1915-R2012 PolarHBondContact OD2-NE 3.1Å; D1915-R2012 IonicContact OD2-NH2 3.32Å; D1915-R2012 PolarHBondContact OD2-NH2 3.18Å; L1916-R2012 PolarHBondContact N-O 3.23Å; L1918-R2012 VanDerWaalsContact O-CA 3.27Å; L1918-R2012 WeakPolarHBondContact O-CA 3.4Å; L1918-R2012 WeakPolarHBondContact O-CB 3.43Å; S1950-R2012 PolarHBondContact O-N 3.13Å; S1950-R2012 VanDerWaalsContact O-N 3.14Å; N1951-R2012 PolarHBondContact OD1-N 2.96Å; R2012-H2044 VanDerWaalsContact NH1-CB 3.29Å; R2012-H2044 PolarHBondContact NH1-ND1 3.23Å; R2012-S2046 PolarHBondContact NH1-O 3.05Å; R2012-S2046 PolarHBondContact NH2-O 3.09Å
2013F95.8Very high77Confident5.6 Ų5.662 Ų623%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-105.5137.4-174.9-52.6-79.4000110.2V1914 D1915 A1949 S1950 A1953 W1956 L2048 L2053V1914-F2013 WeakPolarHBondContact O-CA 3.27Å; D1915-F2013 HydrophobicContact CB-CD1 3.64Å; D1915-F2013 HydrophobicContact CB-CE1 3.71Å; D1915-F2013 WeakPolarHBondContact OD2-CE1 3.42Å; A1949-F2013 CarbonylContact C-O 3.5Å; A1949-F2013 VanDerWaalsContact CA-O 3.28Å; A1949-F2013 WeakPolarHBondContact CA-O 3.3Å; S1950-F2013 PolarHBondContact N-O 2.9Å; S1950-F2013 PolarHBondContact O-N 3.26Å; A1953-F2013 HydrophobicContact CB-CD1 4.16Å; A1953-F2013 HydrophobicContact CB-CD2 3.96Å; A1953-F2013 HydrophobicContact CB-CE1 4.29Å; A1953-F2013 HydrophobicContact CB-CE2 4.11Å; A1953-F2013 HydrophobicContact CB-CG 3.99Å; A1953-F2013 HydrophobicContact CB-CZ 4.28Å; W1956-F2013 HydrophobicContact CH2-CB 3.7Å; W1956-F2013 HydrophobicContact CZ3-CB 4.18Å; F2013-L2048 HydrophobicContact CE1-CD1 3.61Å; F2013-L2048 HydrophobicContact CE1-CG 4.05Å; F2013-L2048 HydrophobicContact CZ-CD1 3.68Å; F2013-L2048 HydrophobicContact CZ-CG 4.21Å; F2013-L2053 HydrophobicContact CD1-CD1 3.75Å; F2013-L2053 HydrophobicContact CE1-CD1 3.95Å
2014F96.7Very high79.8Confident2 Ų259.6 Ų59.61%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-130.3127.3-179.8-64-85.9000110.1T1913 V1914 L1916 L1920 P1922 L1947 E1948 A1949 L1959 W2011 F2036T1913-F2014 CarbonylContact C-O 3.53Å; T1913-F2014 WeakPolarHBondContact CA-O 3.29Å; V1914-F2014 PolarHBondContact N-O 3.2Å; V1914-F2014 PolarHBondContact O-N 3.03Å; L1916-F2014 HydrophobicContact CD1-CD2 3.86Å; L1916-F2014 HydrophobicContact CD1-CE2 3.69Å; L1916-F2014 HydrophobicContact CG-CD2 4.19Å; L1916-F2014 HydrophobicContact CG-CE2 4.38Å; L1920-F2014 HydrophobicContact CB-CE2 4.31Å; L1920-F2014 HydrophobicContact CB-CZ 4.08Å; L1920-F2014 HydrophobicContact CD2-CE2 4.11Å; L1920-F2014 HydrophobicContact CD2-CZ 3.92Å; L1920-F2014 HydrophobicContact CG-CZ 4.13Å; P1922-F2014 HydrophobicContact CG-CE1 3.98Å; P1922-F2014 HydrophobicContact CG-CZ 4.47Å; L1947-F2014 HydrophobicContact CD1-CB 4.49Å; E1948-F2014 CarbonylContact O-C 3.56Å; E1948-F2014 WeakPolarHBondContact O-CA 3.39Å; A1949-F2014 HydrophobicContact CB-CD1 3.82Å; A1949-F2014 HydrophobicContact CB-CE1 3.81Å; L1959-F2014 HydrophobicContact CD1-CD1 4.31Å; L1959-F2014 HydrophobicContact CD1-CE1 4.04Å; W2011-F2014 HydrophobicContact CB-CE1 3.97Å; W2011-F2014 HydrophobicContact CB-CE2 4.38Å; W2011-F2014 HydrophobicContact CB-CZ 3.67Å; F2014-F2036 HydrophobicContact CB-CE1 4.32Å; F2014-F2036 HydrophobicContact CB-CE2 4.23Å; F2014-F2036 HydrophobicContact CB-CZ 3.62Å; F2014-F2036 AromaticContact CD1-CE1 3.98Å; F2014-F2036 HydrophobicContact CD1-CE1 4.12Å; F2014-F2036 HydrophobicContact CD1-CZ 4.23Å; F2014-F2036 HydrophobicContact CD2-CE2 4.49Å; F2014-F2036 HydrophobicContact CD2-CZ 4.38Å; F2014-F2036 HydrophobicContact CG-CE1 4.18Å; F2014-F2036 HydrophobicContact CG-CE2 4.35Å; F2014-F2036 AromaticContact CG-CZ 3.83Å; F2014-F2036 HydrophobicContact CG-CZ 3.83Å
2015K95.3Very high82.2Confident11.8 Ų11.856.4 Ų56.45%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-121.7128.1-177.6177.2174.357.1136.90110.5W1911 I1912 T1913 E1948 W1956 Q2017W1911-K2015 HydrophobicContact CB-CD 4.24Å; W1911-K2015 HydrophobicContact CB-CG 4.21Å; W1911-K2015 HydrophobicContact CG-CD 4.35Å; I1912-K2015 CarbonylContact O-C 3.58Å; I1912-K2015 WeakPolarHBondContact O-CA 3.21Å; T1913-K2015 HydrophobicContact CG2-CB 4.06Å; T1913-K2015 WeakPolarHBondContact OG1-CB 3.45Å; T1913-K2015 VanDerWaalsContact OG1-CG 3.28Å; T1913-K2015 WeakPolarHBondContact OG1-CG 3.4Å; E1948-K2015 PolarHBondContact N-O 3.3Å; E1948-K2015 PolarHBondContact O-N 3.26Å; E1948-K2015 WeakPolarHBondContact OE2-CE 3.47Å; E1948-K2015 IonicContact OE2-NZ 3.49Å; E1948-K2015 PolarHBondContact OE2-NZ 2.99Å; W1956-K2015 HydrophobicContact CD2-CB 4.49Å; W1956-K2015 HydrophobicContact CE3-CB 3.86Å; W1956-K2015 HydrophobicContact CH2-CB 3.76Å; W1956-K2015 HydrophobicContact CZ2-CB 4.4Å; W1956-K2015 HydrophobicContact CZ3-CB 3.45Å; W1956-K2015 VanDerWaalsContact CZ3-CB 3.45Å; K2015-Q2017 HydrophobicContact CG-CB 4.44Å
2016I95.8Very high84.5Confident2.6 Ų2.647.4 Ų47.41%0.01326%0.26CS..EExtended strand (participates in β ladder)trans-102.5118.8170-59.1155.8000106.7W1911 I1912 L1927 W1945 K1946 L1947 L2029 L2031 L2034W1911-I2016 CarbonylContact C-O 3.52Å; W1911-I2016 VanDerWaalsContact CA-O 3.23Å; W1911-I2016 WeakPolarHBondContact CA-O 3.32Å; W1911-I2016 WeakPolarHBondContact CB-O 3.4Å; I1912-I2016 PolarHBondContact N-O 3.02Å; I1912-I2016 PolarHBondContact O-N 3.03Å; L1927-I2016 HydrophobicContact CD2-CD1 3.7Å; W1945-I2016 HydrophobicContact CG-CG2 4.47Å; K1946-I2016 WeakPolarHBondContact O-CA 3.3Å; L1947-I2016 HydrophobicContact CD1-CG1 4.06Å; I2016-L2029 HydrophobicContact CB-CD2 4.48Å; I2016-L2029 HydrophobicContact CG2-CD1 4.3Å; I2016-L2029 HydrophobicContact CG2-CD2 4.08Å; I2016-L2031 HydrophobicContact CD1-CD1 3.98Å; I2016-L2031 HydrophobicContact CG2-CD1 4.34Å; I2016-L2034 HydrophobicContact CD1-CD1 4.11Å; I2016-L2034 HydrophobicContact CD1-CD2 4.08Å
2017Q94Very high86.8Confident16.4 Ų16.442.5 Ų42.58%0.07724%0.238CC..EExtended strand (participates in β ladder)trans-128.1133.2-176.7178.3173-34.700110N1906 H1909 A1910 W1911 W1945 K1946 K2015 T2019N1906-Q2017 PolarHBondContact OD1-NE2 2.88Å; H1909-Q2017 HydrophobicContact CB-CG 3.82Å; H1909-Q2017 PolarHBondContact CD2-NE2 2.84Å; A1910-Q2017 WeakPolarHBondContact O-CA 3.41Å; W1911-Q2017 HydrophobicContact CB-CB 3.99Å; W1911-Q2017 HydrophobicContact CB-CG 4.14Å; W1945-Q2017 CarbonylContact C-O 3.56Å; W1945-Q2017 VanDerWaalsContact CA-O 3.24Å; W1945-Q2017 WeakPolarHBondContact CA-O 3.37Å; W1945-Q2017 WeakPolarHBondContact CB-O 3.37Å; K1946-Q2017 HydrophobicContact CG-CB 4.32Å; K1946-Q2017 PolarHBondContact N-O 2.95Å; K1946-Q2017 PolarHBondContact O-N 3.11Å; K2015-Q2017 HydrophobicContact CG-CB 4.44Å; Q2017-T2019 PolarHBondContact O-N 3.11Å
2018T94Very high88.6Confident7 Ų740.4 Ų40.44%0.04322%0.218CC..EExtended strand (participates in β ladder)trans-64.8136.1173.5540000110.2H1909 A1910 N1944 L2029H1909-T2018 VanDerWaalsContact CB-O 3.29Å; H1909-T2018 WeakPolarHBondContact CB-O 3.44Å; H1909-T2018 VanDerWaalsContact CG-O 3.27Å; H1909-T2018 PolarHBondContact ND1-O 2.97Å; A1910-T2018 HydrophobicContact CB-CG2 4.23Å; A1910-T2018 PolarHBondContact N-OG1 3.05Å; A1910-T2018 VanDerWaalsContact N-OG1 3.1Å; A1910-T2018 PolarHBondContact O-N 3.15Å; A1910-T2018 PolarHBondContact O-OG1 2.96Å; N1944-T2018 WeakPolarHBondContact O-CA 3.33Å; T2018-L2029 HydrophobicContact CG2-CB 3.83Å; T2018-L2029 HydrophobicContact CG2-CD1 4.07Å; T2018-L2029 HydrophobicContact CG2-CG 4.41Å
2019T92.5Very high90.2Very high36.2 Ų36.236.4 Ų36.422%0.22220%0.197CC..  trans-99.3-27.2173.950.90000111.4H1909 N1944 W1945 K1946 E1961 Q2017H1909-T2019 PolarHBondContact CE1-O 3.35Å; H1909-T2019 VanDerWaalsContact CE1-O 3.32Å; N1944-T2019 WeakPolarHBondContact CB-OG1 3.42Å; N1944-T2019 PolarHBondContact O-N 3.08Å; N1944-T2019 PolarHBondContact O-OG1 3.1Å; W1945-T2019 PolarHBondContact N-OG1 2.91Å; W1945-T2019 VanDerWaalsContact N-OG1 3.16Å; K1946-T2019 HydrophobicContact CB-CG2 3.94Å; K1946-T2019 HydrophobicContact CD-CG2 3.87Å; K1946-T2019 HydrophobicContact CG-CG2 3.68Å; E1961-T2019 HydrophobicContact CG-CG2 4.43Å; E1961-T2019 VanDerWaalsContact OE1-CG2 3.31Å; E1961-T2019 WeakPolarHBondContact OE1-CG2 3.37Å; Q2017-T2019 PolarHBondContact O-N 3.11Å
2020G89.9Confident91.1Very high22 Ų2227.3 Ų27.323%0.22716%0.163CC..SBendtrans-148.4-139.6179.100000112.3N1944N1944-G2020 VanDerWaalsContact CB-N 3.31Å
2021T90.8Very high91.3Very high60.2 Ų60.227.3 Ų27.337%0.36916%0.163SC..  trans-84.7160.9-178.852.80000113.1N1944 G2025 G2026 K2027N1944-T2021 PolarHBondContact N-O 3.35Å; N1944-T2021 PolarHBondContact ND2-O 3.03Å; T2021-G2025 WeakPolarHBondContact CG2-O 3.43Å; T2021-G2026 CarbonylContact C-O 3.54Å; T2021-G2026 VanDerWaalsContact CA-O 3.29Å; T2021-G2026 WeakPolarHBondContact CA-O 3.35Å; T2021-K2027 HydrophobicContact CG2-CG 4.49Å
2022N90.7Very high90.8Very high7.2 Ų7.224.9 Ų24.94%0.03916%0.155CC..BIsolated β-bridgetrans-92.4-178.1165.164.930.7000111A1941 N2024 G2025 G2026 Q2028A1941-N2022 WeakPolarHBondContact O-CB 3.4Å; N2022-N2024 PolarHBondContact O-N 3.11Å; N2022-N2024 VanDerWaalsContact O-N 3.09Å; N2022-N2024 PolarHBondContact OD1-N 3.07Å; N2022-N2024 VanDerWaalsContact OD1-N 3.11Å; N2022-G2025 PolarHBondContact O-N 3.16Å; N2022-G2026 PolarHBondContact N-O 3.36Å; N2022-G2026 PolarHBondContact ND2-O 3.13Å; N2022-G2026 WeakPolarHBondContact OD1-CA 3.34Å; N2022-G2026 PolarHBondContact OD1-N 3.02Å; N2022-G2026 VanDerWaalsContact OD1-N 3.08Å; N2022-G2026 PolarHBondContact OD1-O 3.14Å; N2022-Q2028 PolarHBondContact ND2-N 2.88Å; N2022-Q2028 PolarHBondContact ND2-O 3.03Å; N2022-Q2028 PolarHBondContact ND2-OE1 3.08Å
2023A88.6Confident90.5Very high41.2 Ų41.223.9 Ų23.934%0.3415%0.152SC..THydrogen-bonded Turntrans-62.2-10.6-176.500000115.3S1939 A1941 R1943S1939-A2023 CarbonylContact O-C 3.56Å; S1939-A2023 WeakPolarHBondContact O-CB 3.32Å; A1941-A2023 HydrophobicContact CB-CB 4.1Å; A1941-A2023 WeakPolarHBondContact O-CB 3.39Å; A1941-A2023 PolarHBondContact O-N 3.17Å; R1943-A2023 HydrophobicContact CG-CB 4.05Å
2024N86.4Confident90.2Very high73 Ų7324 Ų2439%0.3915%0.153SC..THydrogen-bonded Turntrans-107.618.7172.4-16757.3000113H1938 S1939 N2022 G2026H1938-N2024 HydrophobicContact CB-CB 4.3Å; H1938-N2024 WeakPolarHBondContact CB-OD1 3.17Å; H1938-N2024 VanDerWaalsContact CG-OD1 3.3Å; H1938-N2024 PolarHBondContact ND1-ND2 3.46Å; H1938-N2024 PolarHBondContact ND1-OD1 3.07Å; S1939-N2024 VanDerWaalsContact O-CB 3.28Å; S1939-N2024 WeakPolarHBondContact O-CB 3.43Å; S1939-N2024 PolarHBondContact O-N 3.23Å; S1939-N2024 VanDerWaalsContact O-N 3.08Å; N2022-N2024 PolarHBondContact O-N 3.11Å; N2022-N2024 VanDerWaalsContact O-N 3.09Å; N2022-N2024 PolarHBondContact OD1-N 3.07Å; N2022-N2024 VanDerWaalsContact OD1-N 3.11Å; N2024-G2026 PolarHBondContact O-N 3.22Å; N2024-G2026 VanDerWaalsContact O-N 3.13Å
2025G85.1Confident90Very high51.8 Ų51.824 Ų2453%0.53415%0.153SC..SBendtrans69.90.6-176.500000114.8T2021 N2022T2021-G2025 WeakPolarHBondContact CG2-O 3.43Å; N2022-G2025 PolarHBondContact O-N 3.16Å
2026G85.3Confident89.9Confident14 Ų1423.5 Ų23.514%0.14415%0.151CC..  trans-85.4159.3-178.800000113T2021 N2022 N2024 Q2028T2021-G2026 CarbonylContact C-O 3.54Å; T2021-G2026 VanDerWaalsContact CA-O 3.29Å; T2021-G2026 WeakPolarHBondContact CA-O 3.35Å; N2022-G2026 PolarHBondContact N-O 3.36Å; N2022-G2026 PolarHBondContact ND2-O 3.13Å; N2022-G2026 WeakPolarHBondContact OD1-CA 3.34Å; N2022-G2026 PolarHBondContact OD1-N 3.02Å; N2022-G2026 VanDerWaalsContact OD1-N 3.08Å; N2022-G2026 PolarHBondContact OD1-O 3.14Å; N2024-G2026 PolarHBondContact O-N 3.22Å; N2024-G2026 VanDerWaalsContact O-N 3.13Å; G2026-Q2028 VanDerWaalsContact C-N 3.28Å; G2026-Q2028 VanDerWaalsContact C-OE1 3.3Å; G2026-Q2028 VanDerWaalsContact CA-OE1 3.28Å; G2026-Q2028 PolarHBondContact O-N 3.2Å
2027K87.9Confident89.7Confident91.6 Ų91.624.4 Ų24.440%0.39815%0.154SC..  trans-9421.9178-64.4-172.4177.9-174.50113.6P1868 E1907 T2021P1868-K2027 VanDerWaalsContact CD-O 3.3Å; P1868-K2027 WeakPolarHBondContact CD-O 3.39Å; P1868-K2027 HydrophobicContact CG-CB 3.97Å; P1868-K2027 VanDerWaalsContact CG-O 3.23Å; P1868-K2027 WeakPolarHBondContact CG-O 3.43Å; E1907-K2027 IonicContact OE1-NZ 3.8Å; E1907-K2027 PolarHBondContact OE1-NZ 3.17Å; E1907-K2027 IonicContact OE2-NZ 3.03Å; E1907-K2027 PolarHBondContact OE2-NZ 3.05Å; T2021-K2027 HydrophobicContact CG2-CG 4.49Å
2028Q88.9Confident89.6Confident51.4 Ų51.423.8 Ų23.824%0.2415%0.153CC..  trans-89141.2179.7-48.186-4.300111.7V1865 V1866 K1867 N2022 G2026V1865-Q2028 HydrophobicContact CG1-CB 4.17Å; V1865-Q2028 HydrophobicContact CG1-CG 4.41Å; V1866-Q2028 CarbonylContact O-C 3.53Å; V1866-Q2028 VanDerWaalsContact O-CA 3.29Å; V1866-Q2028 WeakPolarHBondContact O-CA 3.28Å; V1866-Q2028 WeakPolarHBondContact O-CB 3.26Å; K1867-Q2028 HydrophobicContact CG-CG 4Å; N2022-Q2028 PolarHBondContact ND2-N 2.88Å; N2022-Q2028 PolarHBondContact ND2-O 3.03Å; N2022-Q2028 PolarHBondContact ND2-OE1 3.08Å; G2026-Q2028 VanDerWaalsContact C-N 3.28Å; G2026-Q2028 VanDerWaalsContact C-OE1 3.3Å; G2026-Q2028 VanDerWaalsContact CA-OE1 3.28Å; G2026-Q2028 PolarHBondContact O-N 3.2Å
2029L91.8Very high89.5Confident1 Ų125.7 Ų25.71%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-95.2121172.5-176.255.8000109.5V1865 V1866 A1910 I1912 I2016 T2018 L2031V1865-L2029 CarbonylContact C-O 3.54Å; V1865-L2029 WeakPolarHBondContact CA-O 3.42Å; V1866-L2029 HydrophobicContact CB-CB 4.5Å; V1866-L2029 PolarHBondContact N-O 3.13Å; V1866-L2029 PolarHBondContact O-N 3.24Å; A1910-L2029 HydrophobicContact CB-CB 3.96Å; I1912-L2029 HydrophobicContact CB-CD2 4.33Å; I1912-L2029 HydrophobicContact CD1-CD2 3.83Å; I1912-L2029 HydrophobicContact CD1-CG 4.2Å; I1912-L2029 HydrophobicContact CG1-CD2 4Å; I2016-L2029 HydrophobicContact CB-CD2 4.48Å; I2016-L2029 HydrophobicContact CG2-CD1 4.3Å; I2016-L2029 HydrophobicContact CG2-CD2 4.08Å; T2018-L2029 HydrophobicContact CG2-CB 3.83Å; T2018-L2029 HydrophobicContact CG2-CD1 4.07Å; T2018-L2029 HydrophobicContact CG2-CG 4.41Å; L2029-L2031 HydrophobicContact CD1-CD1 4.27Å; L2029-L2031 HydrophobicContact CD1-CD2 4.29Å; L2029-L2031 HydrophobicContact CD1-CG 4.1Å; L2029-L2031 HydrophobicContact CD2-CD1 4.36Å; L2029-L2031 HydrophobicContact CG-CD1 4.26Å; L2029-L2031 HydrophobicContact CG-CG 4.23Å
2030A90.2Very high89.4Confident0 Ų024.5 Ų24.50%016%0.155CC..EExtended strand (participates in β ladder)trans-124.2112.6-178.600000111.1V1864 V1865 Y1929 L1930 L1940V1864-A2030 WeakPolarHBondContact O-CA 3.39Å; V1865-A2030 HydrophobicContact CG2-CB 3.99Å; Y1929-A2030 HydrophobicContact CE2-CB 4.23Å; L1930-A2030 HydrophobicContact CD1-CB 4.05Å; L1930-A2030 HydrophobicContact CD2-CB 4.34Å; L1930-A2030 HydrophobicContact CG-CB 4.08Å; L1940-A2030 HydrophobicContact CB-CB 3.8Å; L1940-A2030 WeakPolarHBondContact O-CB 3.4Å
2031L89.9Confident89.2Confident0.2 Ų0.226.7 Ų26.70%0.00116%0.157CC..EExtended strand (participates in β ladder)trans-132.1131.6-174.9-61.8178.5000111.1I1843 G1863 V1864 I1912 L1927 P1942 I2016 L2029I1843-L2031 HydrophobicContact CD1-CB 3.75Å; I1843-L2031 HydrophobicContact CD1-CD1 3.57Å; I1843-L2031 HydrophobicContact CD1-CG 4.31Å; I1843-L2031 HydrophobicContact CG1-CB 3.94Å; I1843-L2031 HydrophobicContact CG2-CB 4.03Å; G1863-L2031 CarbonylContact C-O 3.56Å; G1863-L2031 VanDerWaalsContact CA-O 3.25Å; G1863-L2031 WeakPolarHBondContact CA-O 3.26Å; V1864-L2031 PolarHBondContact N-O 3.18Å; V1864-L2031 PolarHBondContact O-N 3.13Å; I1912-L2031 HydrophobicContact CD1-CD1 4.03Å; L1927-L2031 HydrophobicContact CB-CD2 4.41Å; L1927-L2031 HydrophobicContact CD1-CD2 4.09Å; L1927-L2031 HydrophobicContact CD2-CD1 4.29Å; L1927-L2031 HydrophobicContact CD2-CD2 4.25Å; L1927-L2031 HydrophobicContact CG-CD2 4.49Å; P1942-L2031 HydrophobicContact CG-CD2 4.33Å; I2016-L2031 HydrophobicContact CD1-CD1 3.98Å; I2016-L2031 HydrophobicContact CG2-CD1 4.34Å; L2029-L2031 HydrophobicContact CD1-CD1 4.27Å; L2029-L2031 HydrophobicContact CD1-CD2 4.29Å; L2029-L2031 HydrophobicContact CD1-CG 4.1Å; L2029-L2031 HydrophobicContact CD2-CD1 4.36Å; L2029-L2031 HydrophobicContact CG-CD1 4.26Å; L2029-L2031 HydrophobicContact CG-CG 4.23Å
2032G83.8Confident89Confident3.4 Ų3.426.2 Ų26.24%0.03516%0.156CC..SBendtrans-107.4-2.3175.100000114.6A1928 Y1929 R1931A1928-G2032 PolarHBondContact O-N 3.13Å; Y1929-G2032 WeakPolarHBondContact O-CA 3.41Å; R1931-G2032 VanDerWaalsContact CZ-O 3.28Å; R1931-G2032 PolarHBondContact NE-O 2.99Å; R1931-G2032 PolarHBondContact NH1-O 3.13Å; R1931-G2032 PolarHBondContact NH2-O 3.18Å; R1931-G2032 VanDerWaalsContact NH2-O 3.15Å
2033G86.6Confident88.9Confident3.8 Ų3.827.7 Ų27.74%0.03917%0.166CC..EExtended strand (participates in β ladder)trans-170.6147.2-179.300000112I1843 L1927 A1928I1843-G2033 CarbonylContact O-C 3.56Å; I1843-G2033 VanDerWaalsContact O-CA 3.26Å; I1843-G2033 WeakPolarHBondContact O-CA 3.26Å; L1927-G2033 WeakPolarHBondContact CA-O 3.42Å; A1928-G2033 PolarHBondContact N-O 3.25Å; A1928-G2033 PolarHBondContact O-N 3.27Å
2034L90.7Very high88.9Confident6.2 Ų6.228.4 Ų28.43%0.03216%0.162CC..EExtended strand (participates in β ladder)trans-143.4135.8172.316861.4000108.9I1802 I1843 L1844 V1914 Y1925 T1926 L1927 I2016 F2036I1802-L2034 HydrophobicContact CD1-CG 4.42Å; I1843-L2034 HydrophobicContact CD1-CB 3.91Å; I1843-L2034 HydrophobicContact CD1-CD2 4.16Å; I1843-L2034 HydrophobicContact CG1-CB 4.26Å; I1843-L2034 PolarHBondContact O-N 3.19Å; I1843-L2034 VanDerWaalsContact O-N 3.09Å; L1844-L2034 HydrophobicContact CD2-CB 4.07Å; L1844-L2034 HydrophobicContact CD2-CD2 4.31Å; L1844-L2034 HydrophobicContact CD2-CG 4.3Å; V1914-L2034 HydrophobicContact CG2-CD2 3.86Å; Y1925-L2034 HydrophobicContact CD2-CD1 4.41Å; T1926-L2034 WeakPolarHBondContact O-CA 3.4Å; L1927-L2034 HydrophobicContact CD2-CB 4.31Å; L1927-L2034 HydrophobicContact CD2-CD1 3.71Å; I2016-L2034 HydrophobicContact CD1-CD1 4.11Å; I2016-L2034 HydrophobicContact CD1-CD2 4.08Å; L2034-F2036 HydrophobicContact CD1-CD2 4.43Å; L2034-F2036 HydrophobicContact CD1-CE1 4.33Å; L2034-F2036 HydrophobicContact CD1-CE2 3.92Å; L2034-F2036 HydrophobicContact CD1-CZ 3.86Å; L2034-F2036 HydrophobicContact CD2-CE2 3.92Å; L2034-F2036 HydrophobicContact CD2-CZ 4.27Å; L2034-F2036 HydrophobicContact CG-CE2 4.05Å; L2034-F2036 HydrophobicContact CG-CZ 4.42Å
2035E91.1Very high88.8Confident4 Ų430.9 Ų30.92%0.01918%0.175CC..EExtended strand (participates in β ladder)trans-144.8149.6169.8-176.555-76.100110.7G1800 I1801 I1802 D1803 Q1847 Y1925 T1926 Y2037G1800-E2035 VanDerWaalsContact C-OE2 3.27Å; G1800-E2035 VanDerWaalsContact CA-CD 3.43Å; G1800-E2035 WeakPolarHBondContact CA-OE2 3.26Å; I1801-E2035 PolarHBondContact N-OE1 3.24Å; I1801-E2035 VanDerWaalsContact N-OE1 3.09Å; I1801-E2035 PolarHBondContact N-OE2 3.07Å; I1802-E2035 WeakPolarHBondContact CB-OE1 3.28Å; I1802-E2035 WeakPolarHBondContact CB-OE2 3.35Å; I1802-E2035 WeakPolarHBondContact CD1-OE1 3.28Å; I1802-E2035 PolarHBondContact N-OE1 3.1Å; I1802-E2035 PolarHBondContact N-OE2 3.08Å; D1803-E2035 PolarHBondContact N-OE2 3.24Å; Q1847-E2035 PolarHBondContact NE2-OE2 2.92Å; Y1925-E2035 CarbonylContact C-O 3.45Å; Y1925-E2035 VanDerWaalsContact CA-O 3.26Å; Y1925-E2035 WeakPolarHBondContact CA-O 3.32Å; Y1925-E2035 WeakPolarHBondContact CB-O 3.46Å; T1926-E2035 PolarHBondContact N-O 3.03Å; T1926-E2035 PolarHBondContact O-N 2.92Å; T1926-E2035 VanDerWaalsContact O-N 3.1Å; E2035-Y2037 HydrophobicContact CB-CE2 4.4Å; E2035-Y2037 HydrophobicContact CG-CE1 4.06Å; E2035-Y2037 HydrophobicContact CG-CE2 4.11Å
2036F93.3Very high89Confident1 Ų132.4 Ų32.40%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-122.2149.4177.8-68-73.5000111.9I1801 I1802 L1916 L1920 L1947 F2014 L2034I1801-F2036 HydrophobicContact CD1-CB 4.26Å; I1801-F2036 WeakPolarHBondContact CG1-O 3.27Å; I1801-F2036 HydrophobicContact CG2-CB 3.82Å; I1801-F2036 PolarHBondContact N-O 3.26Å; I1802-F2036 HydrophobicContact CD1-CD2 4.02Å; L1916-F2036 HydrophobicContact CD1-CD2 4.2Å; L1916-F2036 HydrophobicContact CD2-CD2 4.44Å; L1920-F2036 HydrophobicContact CD2-CB 3.91Å; L1920-F2036 HydrophobicContact CD2-CG 4.32Å; L1947-F2036 HydrophobicContact CD1-CE1 4.23Å; L1947-F2036 HydrophobicContact CD1-CZ 4.44Å; L1947-F2036 HydrophobicContact CD2-CE1 4.36Å; F2014-F2036 HydrophobicContact CB-CE1 4.32Å; F2014-F2036 HydrophobicContact CB-CE2 4.23Å; F2014-F2036 HydrophobicContact CB-CZ 3.62Å; F2014-F2036 AromaticContact CD1-CE1 3.98Å; F2014-F2036 HydrophobicContact CD1-CE1 4.12Å; F2014-F2036 HydrophobicContact CD1-CZ 4.23Å; F2014-F2036 HydrophobicContact CD2-CE2 4.49Å; F2014-F2036 HydrophobicContact CD2-CZ 4.38Å; F2014-F2036 HydrophobicContact CG-CE1 4.18Å; F2014-F2036 HydrophobicContact CG-CE2 4.35Å; F2014-F2036 AromaticContact CG-CZ 3.83Å; F2014-F2036 HydrophobicContact CG-CZ 3.83Å; L2034-F2036 HydrophobicContact CD1-CD2 4.43Å; L2034-F2036 HydrophobicContact CD1-CE1 4.33Å; L2034-F2036 HydrophobicContact CD1-CE2 3.92Å; L2034-F2036 HydrophobicContact CD1-CZ 3.86Å; L2034-F2036 HydrophobicContact CD2-CE2 3.92Å; L2034-F2036 HydrophobicContact CD2-CZ 4.27Å; L2034-F2036 HydrophobicContact CG-CE2 4.05Å; L2034-F2036 HydrophobicContact CG-CZ 4.42Å
2037Y93.2Very high89.3Confident20.2 Ų20.233.3 Ų33.38%0.07918%0.18CC..EExtended strand (participates in β ladder)trans-133.8151.6178.5-48.7-88.8000109.4F1785 P1786 A1787 P1788 Y1797 G1800 P1922 T1923 A1924 T1926 T1977 E2035F1785-Y2037 CarbonylContact O-C 3.59Å; F1785-Y2037 WeakPolarHBondContact O-CB 3.42Å; P1786-Y2037 VanDerWaalsContact O-CD1 3.27Å; P1786-Y2037 WeakPolarHBondContact O-CD1 3.43Å; A1787-Y2037 HydrophobicContact CB-CD2 4.46Å; A1787-Y2037 HydrophobicContact CB-CG 4.27Å; P1788-Y2037 VanDerWaalsContact CD-CZ 3.49Å; P1788-Y2037 HydrophobicContact CG-CE2 4.48Å; Y1797-Y2037 HydrophobicContact CD1-CE1 4.13Å; Y1797-Y2037 HydrophobicContact CE1-CD1 4.36Å; Y1797-Y2037 AromaticContact CE1-CE1 3.77Å; Y1797-Y2037 HydrophobicContact CE1-CE1 3.88Å; G1800-Y2037 VanDerWaalsContact CA-CE1 3.49Å; P1922-Y2037 CarbonylContact C-O 3.46Å; P1922-Y2037 VanDerWaalsContact CA-O 3.23Å; P1922-Y2037 WeakPolarHBondContact CA-O 3.3Å; T1923-Y2037 PolarHBondContact N-O 3.07Å; T1923-Y2037 PolarHBondContact OG1-O 3.04Å; A1924-Y2037 HydrophobicContact CB-CD2 3.97Å; A1924-Y2037 HydrophobicContact CB-CG 4.49Å; A1924-Y2037 PolarHBondContact N-O 2.89Å; A1924-Y2037 PolarHBondContact O-N 3.05Å; T1926-Y2037 VanDerWaalsContact OG1-CE2 3.28Å; T1926-Y2037 WeakPolarHBondContact OG1-CE2 3.28Å; T1926-Y2037 PolarHBondContact OG1-OH 3.38Å; T1926-Y2037 VanDerWaalsContact OG1-OH 3.07Å; T1977-Y2037 HydrophobicContact CG2-CE2 4.14Å; E2035-Y2037 HydrophobicContact CB-CE2 4.4Å; E2035-Y2037 HydrophobicContact CG-CE1 4.06Å; E2035-Y2037 HydrophobicContact CG-CE2 4.11Å
2038G91.8Very high89.5Confident4 Ų431 Ų314%0.04117%0.172CC..EExtended strand (participates in β ladder)trans138.5-163.9-178.300000113.6F1785 I1921 T1923F1785-G2038 WeakPolarHBondContact CB-O 3.48Å; F1785-G2038 WeakPolarHBondContact CD2-O 3.25Å; F1785-G2038 PolarHBondContact N-O 3.01Å; F1785-G2038 PolarHBondContact O-N 3.18Å; I1921-G2038 CarbonylContact O-C 3.52Å; I1921-G2038 WeakPolarHBondContact O-CA 3.36Å; T1923-G2038 VanDerWaalsContact OG1-CA 3.3Å; T1923-G2038 WeakPolarHBondContact OG1-CA 3.44Å; T1923-G2038 PolarHBondContact OG1-N 3.12Å
2039N91.1Very high89.6Confident48 Ų4832.6 Ų32.626%0.25719%0.185SC..EExtended strand (participates in β ladder)trans-99123.6-173.9-81.532000111.5S1781 G1782 L1783 Y1784 L1920 I1921 Y2041S1781-N2039 PolarHBondContact O-ND2 3.05Å; S1781-N2039 PolarHBondContact O-OD1 2.98Å; G1782-N2039 WeakPolarHBondContact CA-OD1 3.49Å; L1783-N2039 PolarHBondContact N-OD1 2.87Å; L1783-N2039 VanDerWaalsContact N-OD1 3.09Å; L1783-N2039 CarbonylContact O-C 3.55Å; L1783-N2039 WeakPolarHBondContact O-CA 3.37Å; L1783-N2039 PolarHBondContact O-OD1 2.89Å; L1783-N2039 VanDerWaalsContact O-OD1 3.09Å; Y1784-N2039 HydrophobicContact CD2-CB 4.23Å; Y1784-N2039 VanDerWaalsContact CD2-OD1 3.24Å; Y1784-N2039 WeakPolarHBondContact CD2-OD1 3.47Å; L1920-N2039 CarbonylContact C-O 3.58Å; L1920-N2039 WeakPolarHBondContact CA-O 3.44Å; L1920-N2039 WeakPolarHBondContact CD1-O 3.23Å; I1921-N2039 PolarHBondContact N-O 2.99Å; I1921-N2039 PolarHBondContact O-N 3.16Å; N2039-Y2041 HydrophobicContact CB-CD2 4.24Å; N2039-Y2041 HydrophobicContact CB-CE2 3.46Å; N2039-Y2041 VanDerWaalsContact ND2-CZ 3.27Å; N2039-Y2041 PolarHBondContact ND2-OH 3.47Å; N2039-Y2041 VanDerWaalsContact ND2-OH 3.12Å; N2039-Y2041 WeakPolarHBondContact O-CD2 3.39Å; N2039-Y2041 WeakPolarHBondContact O-CE2 3.43Å
2040V91.1Very high89.5Confident11.2 Ų11.235.6 Ų35.67%0.06821%0.205CC..EExtended strand (participates in β ladder)trans-96.6123.3174.7-177.50000109.6I1771 G1782 L1783 F1785 I1801 L1918 L1920I1771-V2040 HydrophobicContact CD1-CB 4.39Å; I1771-V2040 HydrophobicContact CD1-CG1 3.64Å; G1782-V2040 CarbonylContact C-O 3.51Å; G1782-V2040 VanDerWaalsContact CA-O 3.29Å; G1782-V2040 WeakPolarHBondContact CA-O 3.39Å; L1783-V2040 PolarHBondContact N-O 3.12Å; L1783-V2040 PolarHBondContact O-N 3.09Å; F1785-V2040 HydrophobicContact CD2-CG2 3.95Å; F1785-V2040 HydrophobicContact CE2-CB 4.3Å; F1785-V2040 HydrophobicContact CE2-CG2 3.71Å; I1801-V2040 HydrophobicContact CD1-CG2 3.84Å; I1801-V2040 HydrophobicContact CG1-CG2 4.28Å; I1801-V2040 HydrophobicContact CG2-CG2 4.44Å; L1918-V2040 HydrophobicContact CB-CG1 4.2Å; L1918-V2040 HydrophobicContact CD1-CG1 4.09Å; L1918-V2040 HydrophobicContact CD1-CG2 4.26Å; L1918-V2040 HydrophobicContact CD2-CG1 3.81Å; L1918-V2040 VanDerWaalsContact CD2-CG1 3.45Å; L1918-V2040 HydrophobicContact CG-CG1 4.27Å; L1920-V2040 HydrophobicContact CD1-CG2 4.06Å
2041Y85.8Confident89.4Confident66.4 Ų66.439.6 Ų39.626%0.2623%0.233SC..EExtended strand (participates in β ladder)trans-104.7-32.7-173.3-76.3-89.7000114.2N1775 T1780 Q1919 I1921 R2009 N2039N1775-Y2041 PolarHBondContact ND2-O 3.08Å; T1780-Y2041 WeakPolarHBondContact O-CE1 3.48Å; Q1919-Y2041 PolarHBondContact O-N 3.22Å; I1921-Y2041 HydrophobicContact CB-CE2 4.09Å; I1921-Y2041 HydrophobicContact CD1-CD2 4.26Å; I1921-Y2041 HydrophobicContact CD1-CE2 3.41Å; I1921-Y2041 VanDerWaalsContact CD1-CE2 3.43Å; I1921-Y2041 HydrophobicContact CG1-CD2 4.16Å; I1921-Y2041 HydrophobicContact CG1-CE2 3.61Å; R2009-Y2041 HydrophobicContact CB-CD1 3.87Å; R2009-Y2041 HydrophobicContact CB-CD2 4.15Å; R2009-Y2041 HydrophobicContact CB-CE1 4.12Å; R2009-Y2041 HydrophobicContact CB-CE2 4.39Å; R2009-Y2041 HydrophobicContact CB-CG 3.86Å; R2009-Y2041 HydrophobicContact CG-CD1 4.48Å; R2009-Y2041 HydrophobicContact CG-CE1 4.31Å; R2009-Y2041 PolarHBondContact NH1-OH 3.41Å; N2039-Y2041 HydrophobicContact CB-CD2 4.24Å; N2039-Y2041 HydrophobicContact CB-CE2 3.46Å; N2039-Y2041 VanDerWaalsContact ND2-CZ 3.27Å; N2039-Y2041 PolarHBondContact ND2-OH 3.47Å; N2039-Y2041 VanDerWaalsContact ND2-OH 3.12Å; N2039-Y2041 WeakPolarHBondContact O-CD2 3.39Å; N2039-Y2041 WeakPolarHBondContact O-CE2 3.43Å
2042S86.2Confident89.4Confident50.8 Ų50.841.1 Ų41.136%0.35525%0.245SC..EExtended strand (participates in β ladder)trans-155165.2179.370.40000111.7L1918 Q1919L1918-S2042 CarbonylContact C-O 3.5Å; L1918-S2042 WeakPolarHBondContact CA-O 3.44Å; Q1919-S2042 VanDerWaalsContact CB-OG 3.28Å; Q1919-S2042 WeakPolarHBondContact CB-OG 3.21Å; Q1919-S2042 PolarHBondContact N-O 3.21Å
2043V87.7Confident89.7Confident39.4 Ų39.440.9 Ų40.924%0.23924%0.243CC..EExtended strand (participates in β ladder)trans-107152.6176.2-169.80000108.3W1768 I1771 G1917 L1918W1768-V2043 HydrophobicContact CB-CG2 4.15Å; W1768-V2043 HydrophobicContact CD2-CB 4.27Å; W1768-V2043 HydrophobicContact CD2-CG1 3.57Å; W1768-V2043 HydrophobicContact CD2-CG2 3.67Å; W1768-V2043 HydrophobicContact CE3-CB 4.08Å; W1768-V2043 HydrophobicContact CE3-CG1 3.62Å; W1768-V2043 VanDerWaalsContact CE3-CG1 3.49Å; W1768-V2043 HydrophobicContact CE3-CG2 3.23Å; W1768-V2043 HydrophobicContact CG-CG1 4.19Å; W1768-V2043 HydrophobicContact CG-CG2 4.07Å; W1768-V2043 HydrophobicContact CH2-CG1 3.96Å; W1768-V2043 HydrophobicContact CZ2-CG1 3.93Å; W1768-V2043 HydrophobicContact CZ3-CB 4.38Å; W1768-V2043 HydrophobicContact CZ3-CG1 3.82Å; W1768-V2043 HydrophobicContact CZ3-CG2 3.89Å; I1771-V2043 HydrophobicContact CD1-CG2 3.98Å; I1771-V2043 HydrophobicContact CG2-CG2 4.32Å; G1917-V2043 WeakPolarHBondContact O-CG1 3.44Å; L1918-V2043 HydrophobicContact CD2-CB 4.34Å; L1918-V2043 HydrophobicContact CD2-CG1 4.04Å; L1918-V2043 HydrophobicContact CD2-CG2 3.93Å
2044H89Confident89.9Confident54.6 Ų54.641.6 Ų41.625%0.25325%0.249SC..  trans-107.2136.7165.7-68-108.3000109.4R1762 G1917 Q1919 R2012 S2046R1762-H2044 VanDerWaalsContact CD-O 3.27Å; R1762-H2044 WeakPolarHBondContact CD-O 3.24Å; R1762-H2044 PolarHBondContact NE-O 3.07Å; G1917-H2044 PolarHBondContact O-N 3.06Å; Q1919-H2044 PolarHBondContact OE1-NE2 3.11Å; R2012-H2044 VanDerWaalsContact NH1-CB 3.29Å; R2012-H2044 PolarHBondContact NH1-ND1 3.23Å; H2044-S2046 PolarHBondContact O-N 3.13Å; H2044-S2046 VanDerWaalsContact O-N 3.15Å
2045D85.1Confident89.7Confident126.6 Ų126.647.8 Ų47.868%0.67728%0.277SS*.SBendtrans-60.6-26.8-174.2-42.4-35000113.6R1762 L1763R1762-D2045 WeakPolarHBondContact CD-O 3.41Å; L1763-D2045 HydrophobicContact CD2-CB 4.48Å
2046S88.3Confident89.6Confident82.4 Ų82.451.4 Ų51.458%0.57629%0.293SS*.  trans-142.9150.8-178.460.10000112.6R2012 H2044R2012-S2046 PolarHBondContact NH1-O 3.05Å; R2012-S2046 PolarHBondContact NH2-O 3.09Å; H2044-S2046 PolarHBondContact O-N 3.13Å; H2044-S2046 VanDerWaalsContact O-N 3.15Å
2047V91.5Very high89.3Confident33 Ų3352.3 Ų52.320%0.230%0.298CS..  trans-105.4141.7179.3-1660000109S1827 D1915S1827-V2047 VanDerWaalsContact CB-CG1 3.42Å; D1915-V2047 HydrophobicContact CB-CG1 3.87Å; D1915-V2047 WeakPolarHBondContact O-CG1 3.29Å; D1915-V2047 VanDerWaalsContact OD2-CG1 3.31Å; D1915-V2047 WeakPolarHBondContact OD2-CG1 3.27Å
2048L92Very high88.9Confident43.4 Ų43.453.6 Ų53.623%0.22730%0.303CS..  trans-69.1138.9178.4-65-174.3000111.1S1827 D1915 F2013 L2053 K2056S1827-L2048 WeakPolarHBondContact CB-O 3.35Å; S1827-L2048 PolarHBondContact OG-O 2.95Å; D1915-L2048 PolarHBondContact OD2-N 3.15Å; F2013-L2048 HydrophobicContact CE1-CD1 3.61Å; F2013-L2048 HydrophobicContact CE1-CG 4.05Å; F2013-L2048 HydrophobicContact CZ-CD1 3.68Å; F2013-L2048 HydrophobicContact CZ-CG 4.21Å; L2048-L2053 HydrophobicContact CB-CB 4.19Å; L2048-L2053 HydrophobicContact CB-CD1 4.34Å; L2048-L2053 HydrophobicContact CD1-CB 4.4Å; L2048-L2053 HydrophobicContact CD1-CD1 4.38Å; L2048-K2056 HydrophobicContact CD1-CD 4.04Å
2049T91.1Very high88.1Confident85.4 Ų85.456 Ų5652%0.52432%0.319SS..  trans-62.4148.2172.267.50000110.6S2051 A2052 L2053T2049-S2051 PolarHBondContact O-N 3.19Å; T2049-S2051 VanDerWaalsContact O-N 3.14Å; T2049-A2052 PolarHBondContact O-N 3.18Å; T2049-A2052 VanDerWaalsContact O-N 3.09Å; T2049-A2052 VanDerWaalsContact OG1-CB 3.3Å; T2049-A2052 WeakPolarHBondContact OG1-CB 3.34Å; T2049-A2052 PolarHBondContact OG1-N 3.25Å; T2049-L2053 WeakPolarHBondContact O-CB 3.37Å; T2049-L2053 PolarHBondContact O-N 3.12Å
2050P89.5Confident86.7Confident64.2 Ų64.256.9 Ų56.942%0.41732%0.323SS..Hα-helixtrans-53.6-37.5-179.7-30.236.6000113.5S1827 I1828 A1829 A2054S1827-P2050 WeakPolarHBondContact OG-CD 3.35Å; S1827-P2050 WeakPolarHBondContact OG-CG 3.36Å; I1828-P2050 WeakPolarHBondContact O-CB 3.26Å; A1829-P2050 HydrophobicContact CB-CB 4.44Å; A1829-P2050 WeakPolarHBondContact CB-O 3.22Å; P2050-A2054 WeakPolarHBondContact O-CB 3.35Å; P2050-A2054 PolarHBondContact O-N 3.08Å
2051S88.3Confident84.7Confident83 Ų8359.2 Ų59.258%0.5834%0.34SS*.Hα-helixtrans-66-46.6176.4-52.90000112.5T2049 L2053 A2054 Q2055T2049-S2051 PolarHBondContact O-N 3.19Å; T2049-S2051 VanDerWaalsContact O-N 3.14Å; S2051-L2053 VanDerWaalsContact C-N 3.34Å; S2051-L2053 PolarHBondContact O-N 3.22Å; S2051-A2054 PolarHBondContact O-N 3.15Å; S2051-Q2055 WeakPolarHBondContact O-CB 3.31Å; S2051-Q2055 VanDerWaalsContact O-CG 3.26Å; S2051-Q2055 WeakPolarHBondContact O-CG 3.35Å; S2051-Q2055 PolarHBondContact O-N 3.14Å
2052A90.4Very high82.6Confident31.6 Ų31.660.7 Ų60.726%0.26136%0.36SS..Hα-helixtrans-66.9-38178.300000111.9T2049 Q2055 K2056T2049-A2052 PolarHBondContact O-N 3.18Å; T2049-A2052 VanDerWaalsContact O-N 3.09Å; T2049-A2052 VanDerWaalsContact OG1-CB 3.3Å; T2049-A2052 WeakPolarHBondContact OG1-CB 3.34Å; T2049-A2052 PolarHBondContact OG1-N 3.25Å; A2052-Q2055 PolarHBondContact O-N 3.22Å; A2052-K2056 WeakPolarHBondContact O-CB 3.38Å; A2052-K2056 PolarHBondContact O-N 3.11Å
2053L90.8Very high80.5Confident0 Ų066.4 Ų66.40%038%0.381CS..Hα-helixtrans-64.9-43.8175.2-173.9114.3000111.4A1829 T1913 D1915 A1953 F2013 L2048 T2049 S2051 K2056 I2057A1829-L2053 HydrophobicContact CB-CB 4.18Å; A1829-L2053 HydrophobicContact CB-CD2 3.71Å; A1829-L2053 HydrophobicContact CB-CG 3.99Å; T1913-L2053 HydrophobicContact CG2-CD1 4.28Å; T1913-L2053 HydrophobicContact CG2-CD2 3.9Å; T1913-L2053 HydrophobicContact CG2-CG 4.27Å; D1915-L2053 HydrophobicContact CB-CD1 3.68Å; D1915-L2053 HydrophobicContact CB-CD2 4.26Å; A1953-L2053 HydrophobicContact CB-CD1 3.82Å; F2013-L2053 HydrophobicContact CD1-CD1 3.75Å; F2013-L2053 HydrophobicContact CE1-CD1 3.95Å; L2048-L2053 HydrophobicContact CB-CB 4.19Å; L2048-L2053 HydrophobicContact CB-CD1 4.34Å; L2048-L2053 HydrophobicContact CD1-CB 4.4Å; L2048-L2053 HydrophobicContact CD1-CD1 4.38Å; T2049-L2053 WeakPolarHBondContact O-CB 3.37Å; T2049-L2053 PolarHBondContact O-N 3.12Å; S2051-L2053 VanDerWaalsContact C-N 3.34Å; S2051-L2053 PolarHBondContact O-N 3.22Å; L2053-K2056 PolarHBondContact O-N 3.23Å; L2053-I2057 HydrophobicContact CD2-CD1 3.7Å; L2053-I2057 HydrophobicContact CG-CD1 4.45Å; L2053-I2057 WeakPolarHBondContact O-CD1 3.23Å; L2053-I2057 WeakPolarHBondContact O-CG1 3.28Å; L2053-I2057 PolarHBondContact O-N 2.98Å; L2053-I2057 VanDerWaalsContact O-N 3.13Å
2054A89.6Confident78.2Confident19.2 Ų19.274.7 Ų74.716%0.15941%0.408CS..Hα-helixtrans-64.1-42.4173.700000112.5A1829 W1911 P2050 S2051 K2056 I2057 Y2058A1829-A2054 HydrophobicContact CB-CB 4.24Å; W1911-A2054 HydrophobicContact CH2-CB 4.18Å; P2050-A2054 WeakPolarHBondContact O-CB 3.35Å; P2050-A2054 PolarHBondContact O-N 3.08Å; S2051-A2054 PolarHBondContact O-N 3.15Å; A2054-K2056 VanDerWaalsContact C-N 3.3Å; A2054-K2056 PolarHBondContact O-N 2.99Å; A2054-I2057 PolarHBondContact O-N 3.24Å; A2054-Y2058 HydrophobicContact CB-CE2 4.46Å; A2054-Y2058 WeakPolarHBondContact O-CD2 3.3Å; A2054-Y2058 PolarHBondContact O-N 3.1Å; A2054-Y2058 VanDerWaalsContact O-N 3.12Å
2055Q87Confident75.6Confident134.4 Ų134.480.3 Ų80.363%0.62843%0.431SS*.Hα-helixtrans-59.5-43.9176-77.8169.5-2300111.9S2051 A2052 I2057 Y2058 S2059S2051-Q2055 WeakPolarHBondContact O-CB 3.31Å; S2051-Q2055 VanDerWaalsContact O-CG 3.26Å; S2051-Q2055 WeakPolarHBondContact O-CG 3.35Å; S2051-Q2055 PolarHBondContact O-N 3.14Å; A2052-Q2055 PolarHBondContact O-N 3.22Å; Q2055-I2057 VanDerWaalsContact C-N 3.31Å; Q2055-I2057 PolarHBondContact O-N 3.02Å; Q2055-Y2058 CarbonylContact O-C 3.57Å; Q2055-Y2058 PolarHBondContact O-N 3.29Å; Q2055-Y2058 VanDerWaalsContact O-N 3.14Å; Q2055-S2059 PolarHBondContact O-N 3.14Å
2056K88.9Confident73.2Confident80.8 Ų80.882.2 Ų82.235%0.35144%0.442SS..Hα-helixtrans-60-41175.7-94.1-172.9170.5-162.40113.1D1952 A1953 V1954 L2048 A2052 L2053 A2054 Y2058 S2059D1952-K2056 VanDerWaalsContact O-CD 3.31Å; D1952-K2056 WeakPolarHBondContact O-CD 3.4Å; D1952-K2056 WeakPolarHBondContact O-CE 3.44Å; D1952-K2056 PolarHBondContact O-NZ 3.17Å; A1953-K2056 HydrophobicContact CB-CB 4.25Å; A1953-K2056 HydrophobicContact CB-CD 4.09Å; V1954-K2056 HydrophobicContact CG2-CB 4.47Å; V1954-K2056 HydrophobicContact CG2-CD 4.38Å; V1954-K2056 HydrophobicContact CG2-CG 3.8Å; L2048-K2056 HydrophobicContact CD1-CD 4.04Å; A2052-K2056 WeakPolarHBondContact O-CB 3.38Å; A2052-K2056 PolarHBondContact O-N 3.11Å; L2053-K2056 PolarHBondContact O-N 3.23Å; A2054-K2056 VanDerWaalsContact C-N 3.3Å; A2054-K2056 PolarHBondContact O-N 2.99Å; K2056-Y2058 VanDerWaalsContact C-N 3.31Å; K2056-Y2058 PolarHBondContact O-N 3.12Å; K2056-S2059 WeakPolarHBondContact CA-OG 3.24Å; K2056-S2059 WeakPolarHBondContact O-CB 3.21Å; K2056-S2059 PolarHBondContact O-N 3.31Å; K2056-S2059 VanDerWaalsContact O-N 3.16Å; K2056-S2059 PolarHBondContact O-OG 3.14Å; K2056-S2059 VanDerWaalsContact O-OG 3.09Å
2057I87.7Confident70.7Confident19.2 Ų19.282.9 Ų82.910%0.09845%0.452CS..Hα-helixtrans-64.6-35.4176.5-66.5162.8000111.2W1911 T1913 W1956 L2053 A2054 Q2055W1911-I2057 HydrophobicContact CE3-CD1 4.33Å; W1911-I2057 HydrophobicContact CH2-CB 4.44Å; W1911-I2057 HydrophobicContact CH2-CD1 3.58Å; W1911-I2057 HydrophobicContact CH2-CG2 4.39Å; W1911-I2057 HydrophobicContact CZ2-CB 4.3Å; W1911-I2057 HydrophobicContact CZ2-CD1 4.06Å; W1911-I2057 HydrophobicContact CZ2-CG2 3.85Å; W1911-I2057 HydrophobicContact CZ3-CD1 3.72Å; T1913-I2057 HydrophobicContact CG2-CD1 4.02Å; T1913-I2057 VanDerWaalsContact OG1-CD1 3.32Å; T1913-I2057 WeakPolarHBondContact OG1-CD1 3.31Å; W1956-I2057 HydrophobicContact CZ2-CD1 4.34Å; W1956-I2057 HydrophobicContact CZ2-CG1 4.1Å; L2053-I2057 HydrophobicContact CD2-CD1 3.7Å; L2053-I2057 HydrophobicContact CG-CD1 4.45Å; L2053-I2057 WeakPolarHBondContact O-CD1 3.23Å; L2053-I2057 WeakPolarHBondContact O-CG1 3.28Å; L2053-I2057 PolarHBondContact O-N 2.98Å; L2053-I2057 VanDerWaalsContact O-N 3.13Å; A2054-I2057 PolarHBondContact O-N 3.24Å; Q2055-I2057 VanDerWaalsContact C-N 3.31Å; Q2055-I2057 PolarHBondContact O-N 3.02Å
2058Y84.1Confident68Low48.4 Ų48.486.7 Ų86.719%0.1948%0.48CS..Hα-helixtrans-84.8-14.8179.7-70.3-56.6000115.1S1831 K1869 M1871 W1911 A2054 Q2055 K2056 I2060 S2061S1831-Y2058 WeakPolarHBondContact CA-OH 3.19Å; S1831-Y2058 PolarHBondContact O-OH 3.05Å; S1831-Y2058 VanDerWaalsContact O-OH 3.12Å; K1869-Y2058 HydrophobicContact CD-CE1 3.95Å; K1869-Y2058 HydrophobicContact CD-CE2 4.05Å; K1869-Y2058 VanDerWaalsContact CD-CZ 3.45Å; K1869-Y2058 VanDerWaalsContact CD-OH 3.28Å; K1869-Y2058 WeakPolarHBondContact CD-OH 3.34Å; M1871-Y2058 HydrophobicContact CE-CD1 4.14Å; M1871-Y2058 HydrophobicContact CE-CE1 4.36Å; W1911-Y2058 HydrophobicContact CZ2-CE1 4.46Å; W1911-Y2058 AromaticContact CZ2-CE2 3.9Å; W1911-Y2058 HydrophobicContact CZ2-CE2 3.9Å; W1911-Y2058 AromaticContact CZ2-CZ 3.77Å; W1911-Y2058 WeakPolarHBondContact CZ2-OH 3.47Å; W1911-Y2058 AromaticContact NE1-CZ 3.99Å; W1911-Y2058 PolarHBondContact NE1-OH 2.76Å; A2054-Y2058 HydrophobicContact CB-CE2 4.46Å; A2054-Y2058 WeakPolarHBondContact O-CD2 3.3Å; A2054-Y2058 PolarHBondContact O-N 3.1Å; A2054-Y2058 VanDerWaalsContact O-N 3.12Å; Q2055-Y2058 CarbonylContact O-C 3.57Å; Q2055-Y2058 PolarHBondContact O-N 3.29Å; Q2055-Y2058 VanDerWaalsContact O-N 3.14Å; K2056-Y2058 VanDerWaalsContact C-N 3.31Å; K2056-Y2058 PolarHBondContact O-N 3.12Å; Y2058-I2060 VanDerWaalsContact C-N 3.33Å; Y2058-I2060 PolarHBondContact O-N 2.96Å; Y2058-S2061 VanDerWaalsContact O-CB 3.29Å; Y2058-S2061 WeakPolarHBondContact O-CB 3.27Å; Y2058-S2061 PolarHBondContact O-N 3.18Å; Y2058-S2061 VanDerWaalsContact O-N 3.15Å; Y2058-S2061 PolarHBondContact O-OG 3.18Å
2059S75.7Confident65.5Low53.4 Ų53.490.3 Ų90.337%0.37351%0.506SS..Hα-helixtrans-58.8-40.4-176.357.60000113.4Q2055 K2056 S2061 S2062Q2055-S2059 PolarHBondContact O-N 3.14Å; K2056-S2059 WeakPolarHBondContact CA-OG 3.24Å; K2056-S2059 WeakPolarHBondContact O-CB 3.21Å; K2056-S2059 PolarHBondContact O-N 3.31Å; K2056-S2059 VanDerWaalsContact O-N 3.16Å; K2056-S2059 PolarHBondContact O-OG 3.14Å; K2056-S2059 VanDerWaalsContact O-OG 3.09Å; S2059-S2061 VanDerWaalsContact C-N 3.31Å; S2059-S2061 PolarHBondContact O-N 3.31Å; S2059-S2061 VanDerWaalsContact O-N 3.14Å; S2059-S2062 PolarHBondContact O-N 3.12Å; S2059-S2062 VanDerWaalsContact O-N 3.1Å
2060I60.6Low63Low68.2 Ų68.291.6 Ų91.635%0.3552%0.517SS..THydrogen-bonded Turntrans-60.2-28.2179.7-51.7170.1000112.3V1954 Y2058 S2062V1954-I2060 HydrophobicContact CB-CD1 4.31Å; V1954-I2060 HydrophobicContact CG1-CD1 3.62Å; V1954-I2060 HydrophobicContact CG1-CG1 3.79Å; V1954-I2060 VanDerWaalsContact O-CD1 3.25Å; V1954-I2060 WeakPolarHBondContact O-CD1 3.34Å; Y2058-I2060 VanDerWaalsContact C-N 3.33Å; Y2058-I2060 PolarHBondContact O-N 2.96Å; I2060-S2062 VanDerWaalsContact C-N 3.26Å; I2060-S2062 PolarHBondContact O-N 3.08Å
2061S49.3Very low60.4Low58.8 Ų58.893.9 Ų93.941%0.41153%0.531SS..THydrogen-bonded Turntrans-69.3-20.2-178.8-63.40000113.4E1907 Y2058 S2059E1907-S2061 VanDerWaalsContact OE1-CB 3.3Å; E1907-S2061 WeakPolarHBondContact OE1-CB 3.36Å; E1907-S2061 PolarHBondContact OE1-OG 3.37Å; Y2058-S2061 VanDerWaalsContact O-CB 3.29Å; Y2058-S2061 WeakPolarHBondContact O-CB 3.27Å; Y2058-S2061 PolarHBondContact O-N 3.18Å; Y2058-S2061 VanDerWaalsContact O-N 3.15Å; Y2058-S2061 PolarHBondContact O-OG 3.18Å; S2059-S2061 VanDerWaalsContact C-N 3.31Å; S2059-S2061 PolarHBondContact O-N 3.31Å; S2059-S2061 VanDerWaalsContact O-N 3.14Å
2062S41.4Very low57.7Low98.4 Ų98.496.1 Ų96.169%0.68854%0.543SS*.THydrogen-bonded Turntrans-95.2-27.4-173.8-1570000114.4S2059 I2060 R2064 K2065S2059-S2062 PolarHBondContact O-N 3.12Å; S2059-S2062 VanDerWaalsContact O-N 3.1Å; I2060-S2062 VanDerWaalsContact C-N 3.26Å; I2060-S2062 PolarHBondContact O-N 3.08Å; S2062-R2064 VanDerWaalsContact C-N 3.33Å; S2062-R2064 PolarHBondContact O-N 3.04Å; S2062-K2065 PolarHBondContact O-N 3.45Å
2063E41.8Very low55.1Low169.2 Ų169.2103.6 Ų103.679%0.79157%0.573SS**THydrogen-bonded Turntrans-85.99.3-171.6-63.1-175.4151.100114.3
2064R39.2Very low52Low215.4 Ų215.4109.9 Ų109.981%0.81361%0.612SS**THydrogen-bonded Turntrans-111.719.5-179.4-69.7-166.1176.9-1620.8115S2062S2062-R2064 VanDerWaalsContact C-N 3.33Å; S2062-R2064 PolarHBondContact O-N 3.04Å
2065K35.2Very low49.3Very low171.2 Ų171.2116.6 Ų116.674%0.74464%0.643SS**SBendtrans-111.1120.6167.8-82.1-176.9176.5178.90111.5S2062S2062-K2065 PolarHBondContact O-N 3.45Å
2066D34.8Very low46.7Very low166.6 Ų166.6116 Ų11689%0.89165%0.649SS**SBendtrans107.654.8171.8-60.1-37.2000114.9
2067A36.6Very low43.8Very low96.4 Ų96.4121.8 Ų121.880%0.79767%0.674SS**  trans-143.8103165.600000111.7
2068S34.6Very low41.1Very low112.6 Ų112.6126.7 Ų126.779%0.78771%0.71SS**PPolyproline II helixtrans-82.3139.117166.50000111P2070S2068-P2070 WeakPolarHBondContact O-CD 3.39Å
2069P38.7Very low38.4Very low119.2 Ų119.2132.9 Ų132.977%0.77474%0.743SS**PPolyproline II helixtrans-79.2128-177.530.3-33.6000112.1
2070P38.2Very low36.3Very low114.4 Ų114.4135.8 Ų135.874%0.74376%0.763SS**PPolyproline II helixtrans-74.3152.7165.531.7-33.6000111S2068S2068-P2070 WeakPolarHBondContact O-CD 3.39Å
2071P36Very low34.7Very low112.2 Ų112.2137.4 Ų137.473%0.72978%0.781SS**PPolyproline II helixtrans-72.3152.7-178.130.3-35.6000112.5Q2073P2071-Q2073 PolarHBondContact O-N 3.26Å
2072P31.5Very low33.7Very low128 Ų128139.8 Ų139.883%0.83180%0.797SS**PPolyproline II helixtrans-75.1132.7-174.930.2-35000112.4
2073Q34.9Very low33Very low190.6 Ų190.6139.8 Ų139.889%0.89180%0.797SS**  trans-125.6122.6162.3-68.9-165.43.500111.1P2071P2071-Q2073 PolarHBondContact O-N 3.26Å
2074T27.2Very low32.3Very low132.2 Ų132.2142.9 Ų142.981%0.81180%0.802SS**  trans-61.7138.8172.8-44.40000112.6
2075I31.6Very low31.7Very low158.4 Ų158.4139.6 Ų139.681%0.81280%0.799SS**  trans-160.8132.6142.1-89.3153.7000113.1
2076T32.7Very low31.2Very low121.4 Ų121.4136.9 Ų136.975%0.74580%0.797SS**  trans-24.8132.2166.555.80000120.4
2077K28.5Very low30.8Very low204.6 Ų204.6134.8 Ų134.889%0.8979%0.79SS**  trans19.7122.4138.3-62.9179.9177.2179.40119.1
2078S30.4Very low30.3Very low121.2 Ų121.2136.8 Ų136.885%0.84879%0.788SS**  trans-156.6147.6132.652.90000109.6
2079M27.5Very low30Very low178.2 Ų178.2137.9 Ų137.988%0.87879%0.789SS**  trans-141139.7158.3-71.3175.661.800114.5
2080S30.9Very low29.4Very low115.2 Ų115.2141.6 Ų141.681%0.80679%0.793SS**  trans103.5142.2153.568.50000116.8
2081S28.6Very low28.7Very low102.2 Ų102.2143.7 Ų143.772%0.71580%0.797SS**  trans-150.1127-149.368.50000116.2
2082S27.1Very low28.3Very low107.8 Ų107.8143.3 Ų143.375%0.75480%0.797SS**  trans43.9148.3145.260.20000119.3
2083S26.1Very low28.2Very low98.6 Ų98.6143.3 Ų143.369%0.6980%0.795SS**  80.6120.6120.4-167.60000114.7
2084W28.2Very low27.9Very low235 Ų235141.8 Ų141.889%0.8979%0.793SS**  -156.3135.9123.2-67.578.7000111.5
2085L25.8Very low27.9Very low145.4 Ų145.4142.1 Ų142.176%0.76179%0.79SS**  -59.7145.383.2-92.2163.3000113.3
2086T25.7Very low27.8Very low114.6 Ų114.6145 Ų14570%0.70379%0.79SS**  trans83.6127.4155.4-480000115.2N2088T2086-N2088 HydrophobicContact CG2-CB 4.43Å
2087V26.1Very low27.6Very low122.4 Ų122.4146.5 Ų146.574%0.74279%0.794SS**  trans-142113.4155.1-171.20000111.3V2089V2087-V2089 HydrophobicContact CG1-CG2 4.4Å
2088N26.7Very low27.6Very low138.6 Ų138.6141.6 Ų141.674%0.74179%0.785SS**  69.2123.8119.6-77.3-38.9000116.3T2086 K2090T2086-N2088 HydrophobicContact CG2-CB 4.43Å; N2088-K2090 PolarHBondContact O-N 3.03Å
2089V27.3Very low27.5Very low134.8 Ų134.8144.3 Ų144.382%0.81778%0.784SS**  trans-78.7133.2156175.50000109.1V2087V2087-V2089 HydrophobicContact CG1-CG2 4.4Å
2090K26.5Very low27.7Very low197.4 Ų197.4141.2 Ų141.286%0.85878%0.776SS**  trans-130.1113.3166.8-127170.7-174177.40111.8N2088 S2092N2088-K2090 PolarHBondContact O-N 3.03Å; K2090-S2092 PolarHBondContact O-N 3.21Å
2091L24.4Very low27.6Very low158.8 Ų158.8141.5 Ų141.583%0.83177%0.768SS**  trans-82.4128.3168.5-15274.4000109.2
2092S27.5Very low27.6Very low103.8 Ų103.8143.7 Ų143.773%0.72677%0.767SS**  trans-115.395.6173.461.50000113.3K2090 N2094K2090-S2092 PolarHBondContact O-N 3.21Å; S2092-N2094 PolarHBondContact O-N 3.4Å
2093T27.6Very low27.8Very low127.4 Ų127.4145.2 Ų145.278%0.78277%0.766SS**  trans-74.5132.6149.5420000112.1
2094N29.1Very low28Very low159 Ų159148 Ų14885%0.8577%0.769SS**  trans-114.8135157.5-107.6-20.8000110.8S2092S2092-N2094 PolarHBondContact O-N 3.4Å
2095N27.8Very low28.1Very low139 Ų139143.9 Ų143.974%0.74376%0.761SS**  trans-95.7157.9142.5-107.7-23000113.3
2096R29.2Very low28.4Very low220.2 Ų220.2142.8 Ų142.883%0.83176%0.756SS**  -165.2126.3124.1-91168.4-177.4164.2-1.2112.9
2097N27.6Very low28.7Very low151.6 Ų151.6143.2 Ų143.281%0.81175%0.754SS**  trans24145.4139.3-68-4.9000114.6
2098S29.7Very low29Very low102.6 Ų102.6144.6 Ų144.672%0.71776%0.757SS**  -148.1148.4124.1-41.90000112.1
2099Q29Very low29.2Very low177 Ų177141.8 Ų141.883%0.82775%0.754SS**  trans73.1144.2137.7-97.5-179.4-81.800116.1
2100V30.3Very low29.4Very low114.2 Ų114.2142.2 Ų142.269%0.69275%0.751SS**  124136.398.3151.30000110.7
2101D29.9Very low29.7Very low121.6 Ų121.6139.7 Ų139.765%0.6575%0.747SS**  cis-141.4153.917.3-104.1-32.9000111.4
2102Q28.9Very low30.1Very low147.4 Ų147.4138.3 Ų138.369%0.68974%0.739SS**  64.3124.6118.9-70.3-176.36200119
2103N30Very low30.3Very low138.8 Ų138.8139.6 Ų139.674%0.74274%0.738SS**  trans109.7142.6132.1-65.3-39.7000114.5
2104E30.5Very low30.4Very low159.4 Ų159.4140.3 Ų140.375%0.74574%0.737SS**  cis-133142.532.5-105.5171.2-178.200112.7
2105M31.3Very low30.3Very low148 Ų148137.8 Ų137.873%0.72973%0.731SS**  57.9133.8127.2-78.4-165.5-161.500118.4
2106N32.1Very low30.4Very low121.4 Ų121.4137 Ų13765%0.64973%0.731SS**  102.4155.698.1-73.5-19.3000116.3
2107N30.7Very low30.4Very low124 Ų124132.6 Ų132.666%0.66373%0.728SS**  cis161.5159.721.6-83.3-4.2000112.1
2108D33.2Very low30.6Very low151.4 Ų151.4132.3 Ų132.381%0.8173%0.725SS**  112.7143.8111.3-70.9-29.4000116
2109A31.2Very low30.5Very low80.6 Ų80.6136.3 Ų136.367%0.66673%0.73SS**  173.3158128.300000115.5
2110N31.5Very low30.7Very low142.6 Ų142.6133 Ų13376%0.76373%0.726SS**  trans61.1137.1170.4-45-46.2000115I2112N2110-I2112 HydrophobicContact CB-CD1 3.93Å; N2110-I2112 HydrophobicContact CB-CG1 4.36Å; N2110-I2112 WeakPolarHBondContact OD1-CD1 3.45Å
2111D32.8Very low30.6Very low145.2 Ų145.2135.2 Ų135.278%0.77673%0.734SS**  -133.1150.569.1-81.3-36.2000111.6
2112I33Very low30.7Very low128.2 Ų128.2133.8 Ų133.866%0.65774%0.739SS**  119.2120.654.5-82.7170.8000113N2110N2110-I2112 HydrophobicContact CB-CD1 3.93Å; N2110-I2112 HydrophobicContact CB-CG1 4.36Å; N2110-I2112 WeakPolarHBondContact OD1-CD1 3.45Å
2113N30.1Very low30.8Very low133 Ų133135.7 Ų135.771%0.71175%0.748SS**  trans79.3148.8147.9-69.8-39.1000119.7
2114N30Very low30.7Very low141.2 Ų141.2137 Ų13776%0.75575%0.75SS**  trans104.7144.8147.6-77.8-22.9000116.8
2115C28.5Very low30.9Very low105.8 Ų105.8136 Ų13672%0.71575%0.748SS**  cis179.3138.611.5-99.80000111
2116T29.7Very low30.8Very low122.8 Ų122.8134.1 Ų134.175%0.75375%0.745SS**  78.5148.2121.151.90000115.4
2117V28.5Very low30.8Very low127 Ų127136.5 Ų136.577%0.7775%0.752SS**  trans143.8128.1131.1173.80000112.6
2118I31.3Very low30.8Very low145.8 Ų145.8138.4 Ų138.475%0.74876%0.757SS**  166.8141.1109.9-79.5169.4000114.3
2119K28.6Very low30.6Very low186.2 Ų186.2137.6 Ų137.681%0.8175%0.753SS**  trans-40.1148162.5-60.7172.7-178.6-175.30115.4
2120S32.7Very low30.5Very low109 Ų109139 Ų13976%0.76276%0.758SS**  -160.2151.610325.10000110.2
2121D28.6Very low30.4Very low160.6 Ų160.6137.3 Ų137.386%0.85976%0.757SS**  trans-108-175.5-162.1-60.7-74.4000112.6
2122A31.4Very low30.2Very low90.8 Ų90.8135.6 Ų135.675%0.7576%0.757SS**  trans-139.5155.9177.300000113.9
2123E31.5Very low30Very low187.4 Ų187.4139.2 Ų139.288%0.87677%0.768SS**  159143.5110.2-85.5170.9-172.400112.7
2124E27.9Very low29.8Very low166.6 Ų166.6138.1 Ų138.178%0.77977%0.77SS**  cis-151.1-177-6.1-129.2-167.1143.300112.1
2125I33.4Very low29.8Very low139 Ų139136.4 Ų136.471%0.71377%0.769SS**  trans115.5116.4137.2-66.2158.1000114.6
2126T30.3Very low29.8Very low108.4 Ų108.4138.3 Ų138.367%0.66577%0.772SS**  trans36.8149.7139.651.40000118.2
2127E31.2Very low29.8Very low170 Ų170139.9 Ų139.979%0.79478%0.775SS**  111142.2112.9-83.4175.4-15900117.5
2128E30.5Very low29.7Very low165.8 Ų165.8140.8 Ų140.878%0.77578%0.776SS**  172.6144.9121.1-80.6-167.8175.700117.2
2129N30.1Very low29.7Very low133 Ų133141 Ų14171%0.71178%0.777SS**  trans139.4130.2136.3-80.2-60.9000118.4
2130S29.6Very low29.7Very low110.4 Ų110.4137.8 Ų137.877%0.77277%0.773SS**  trans114.4158.3141.771.70000118.1
2131S28.4Very low29.5Very low107.2 Ų107.2139.5 Ų139.575%0.7577%0.773SS**  trans137.6121.3160.468.50000116
2132S28.7Very low29.5Very low109.8 Ų109.8140 Ų14077%0.76877%0.767SS**  trans17134.9145.356.70000118
2133K28.8Very low29.5Very low204.4 Ų204.4142.6 Ų142.689%0.88976%0.764SS**  trans-161.3136.4137.1-91.9166.7-175.5171.40113.7
2134S25.8Very low29.4Very low109.2 Ų109.2140.6 Ų140.676%0.76476%0.758SS**  trans-143.3147152.356.20000114.9
2135S31Very low29.5Very low105.2 Ų105.2138.8 Ų138.874%0.73675%0.754SS**  trans169.6120.4157.855.80000113.1
2136N27.2Very low29.4Very low145.2 Ų145.2138.3 Ų138.378%0.77675%0.753SS**  41.2121.7113.5-62.1-25.8000114.1
2137L30Very low29.5Very low156.2 Ų156.2140.7 Ų140.782%0.81876%0.756SS**  172.5118.4127-85.2167.7000109.2
2138N26.2Very low29.5Very low145.8 Ų145.8142.4 Ų142.478%0.7876%0.755SS**  53.9134.790.7-91.5-18000112.6
2139I31.6Very low29.5Very low150 Ų150143.9 Ų143.977%0.76975%0.754SS**  trans153.7125160.1-65.1169.5000110.9
2140T28.8Very low29.5Very low118.8 Ų118.8144.2 Ų144.273%0.72976%0.755SS**  -127.3156.7119.637.90000112.2
2141L27.8Very low29.8Very low145 Ų145144.4 Ų144.476%0.75975%0.754SS**  123.1132.7109.8-101.5153.8000114.8
2142K30.6Very low29.8Very low171.2 Ų171.2148.1 Ų148.174%0.74476%0.756SS**  trans-178.3142.9154.5-76.4-173.7-179.1177.80112.9
2143Q29.6Very low29.9Very low145.2 Ų145.2148 Ų14868%0.67976%0.755SS**  103.9131.578.7-94.3167.9-66.800113.6
2144I31Very low29.9Very low146 Ų146142.8 Ų142.875%0.74975%0.745SS**  111.4135.7118.1-81.5164.3000113.1
2145D29.2Very low30Very low129 Ų129144.2 Ų144.269%0.6974%0.744SS**  trans-134.7160.9164.6-84.1-41.9000111.2
2146N31.5Very low30Very low129.2 Ų129.2145.1 Ų145.169%0.69174%0.741SS**  149.9123.499.6-99-52.5000115.6
2147H33Very low30Very low157.4 Ų157.4146.2 Ų146.273%0.72974%0.741SS**  trans21.3146.2132.3-69.6-41.9000120.7
2148R30Very low30Very low206.6 Ų206.6145.2 Ų145.278%0.7874%0.735SS**  178.4115.183.7-113.5178.5168.9174.3-1.2113.1
2149R30.9Very low30.1Very low197.2 Ų197.2144 Ų14474%0.74473%0.727SS**  116.3132.964-92.2-177.1-131.4167.3-2.4115
2150D29.8Very low30Very low140 Ų140146.5 Ų146.575%0.74973%0.727SS**  trans-44.9167.2159.4-57.9-65.3000113.3K2152D2150-K2152 HydrophobicContact CB-CD 4.5Å; D2150-K2152 WeakPolarHBondContact OD2-CD 3.2Å; D2150-K2152 WeakPolarHBondContact OD2-CE 3.49Å; D2150-K2152 IonicContact OD2-NZ 3.39Å; D2150-K2152 PolarHBondContact OD2-NZ 3.01Å
2151P35.7Very low30.1Very low113.2 Ų113.2147.5 Ų147.574%0.73572%0.723SS**  -147168.257.736.1-14.5000117.7
2152K29.5Very low30.2Very low186.2 Ų186.2147.4 Ų147.481%0.8172%0.718SS**  trans60.8128.3145.2-57.5171-179.3174.20116.8D2150D2150-K2152 HydrophobicContact CB-CD 4.5Å; D2150-K2152 WeakPolarHBondContact OD2-CD 3.2Å; D2150-K2152 WeakPolarHBondContact OD2-CE 3.49Å; D2150-K2152 IonicContact OD2-NZ 3.39Å; D2150-K2152 PolarHBondContact OD2-NZ 3.01Å
2153S30Very low30.2Very low106.2 Ų106.2145.6 Ų145.674%0.74372%0.715SS**  115133101.166.80000113.9
2154S28.6Very low30.1Very low95.8 Ų95.8144.4 Ų144.467%0.6772%0.718SS**  143.8131.664.459.40000112.2
2155N27.6Very low29.9Very low137.8 Ų137.8141.8 Ų141.874%0.73771%0.713SS**  trans82.2146.4142.5-79.955.2000116.6
2156D31.3Very low29.8Very low126 Ų126142.2 Ų142.267%0.67471%0.714SS**  66.7115.7118.3-56.6-19.7000113.9
2157E27Very low29.6Very low168.2 Ų168.2142.6 Ų142.679%0.78672%0.715SS**  62.6153.385.9-123.3-168.8-179.400111.8
2158I29.9Very low29.3Very low135.2 Ų135.2139.9 Ų139.969%0.69371%0.713SS**  122.8118125-74.6170.8000115.8
2159I28.9Very low29.1Very low119.2 Ų119.2134.9 Ų134.961%0.61171%0.71SS**  trans57.4130.7140.9-66.7167.1000118.2
2160R28.6Very low28.9Very low203.2 Ų203.2130.8 Ų130.877%0.76771%0.711SS**  trans85.1127142.8-70.9161.6-1521594.1115.7
2161H32Very low28.8Very low140.2 Ų140.2129.3 Ų129.365%0.64971%0.712SS**  90.3143.190.5-80.2-67.1000114
2162H29.8Very low28.4Very low142.6 Ų142.6129 Ų12966%0.6671%0.713SS**  130.314658.6-101.1-79.9000113.1
2163I30Very low28.4Very low132.8 Ų132.8125.1 Ų125.168%0.68171%0.709SS**  75.294.7111-62165.8000116S2165I2163-S2165 VanDerWaalsContact CG2-OG 3.29Å; I2163-S2165 WeakPolarHBondContact CG2-OG 3.41Å
2164T27.9Very low28.4Very low120 Ų120127.8 Ų127.874%0.73671%0.71SS**  73.1116.3110.9-15.10000116.9
2165S27.3Very low28.4Very low92.8 Ų92.8130.7 Ų130.765%0.64971%0.713SS**  82.1128.8121.278.30000116.7I2163I2163-S2165 VanDerWaalsContact CG2-OG 3.29Å; I2163-S2165 WeakPolarHBondContact CG2-OG 3.41Å
2166I26.5Very low28.5Very low135.6 Ų135.6132.7 Ų132.770%0.69572%0.715SS**  173127.8117.3-92.2169.8000112L2504 P2505 V2506I2166-L2504 HydrophobicContact CD1-CD2 4.27Å; I2166-L2504 HydrophobicContact CG2-CB 3.9Å; I2166-L2504 HydrophobicContact CG2-CD2 4.03Å; I2166-P2505 HydrophobicContact CB-CB 4.5Å; I2166-P2505 HydrophobicContact CG2-CB 3.39Å; I2166-V2506 HydrophobicContact CB-CG2 4.37Å; I2166-V2506 HydrophobicContact CG2-CG1 4.32Å; I2166-V2506 WeakPolarHBondContact O-CG2 3.46Å; I2166-V2506 PolarHBondContact O-N 3.17Å; I2166-V2506 VanDerWaalsContact O-N 3.08Å
2167I28Very low28.4Very low138.4 Ų138.4133.4 Ų133.471%0.7172%0.719SS**  trans54124.7167-68.3156.8000118.7P2505 V2506I2167-P2505 VanDerWaalsContact O-CA 3.22Å; I2167-P2505 WeakPolarHBondContact O-CA 3.47Å; I2167-P2505 WeakPolarHBondContact O-CB 3.23Å; I2167-P2505 WeakPolarHBondContact O-CG 3.46Å; I2167-V2506 CarbonylContact C-O 3.49Å; I2167-V2506 PolarHBondContact O-N 2.92Å
2168S25.1Very low28.9Very low100.8 Ų100.8130.9 Ų130.971%0.70572%0.717SS**  trans162.9128.7145.8-670000117.1V2506 I2507S2168-V2506 WeakPolarHBondContact CA-O 3.42Å; S2168-V2506 WeakPolarHBondContact CB-O 3.4Å; S2168-V2506 PolarHBondContact N-O 3.09Å; S2168-I2507 VanDerWaalsContact O-CB 3.28Å; S2168-I2507 WeakPolarHBondContact O-CB 3.27Å; S2168-I2507 VanDerWaalsContact O-CG2 3.28Å; S2168-I2507 WeakPolarHBondContact O-CG2 3.49Å
2169S25.7Very low29.1Very low100.6 Ų100.6131.2 Ų131.270%0.70372%0.718SS**  trans147.6134.1151520000117
2170S26.8Very low29.2Very low111 Ų111131.8 Ų131.878%0.77672%0.723SS**  trans127.7144.3132.364.40000117.1
2171S28.6Very low29.5Very low109.2 Ų109.2128.9 Ų128.976%0.76472%0.723SS**  trans113.5116.1160.855.40000115.4
2172S28.2Very low29.4Very low107 Ų107127.8 Ų127.875%0.74872%0.722SS**  102.6126.9102.862.10000115.9
2173S28.7Very low29.7Very low103.6 Ų103.6131 Ų13172%0.72473%0.729SS**  trans66.2140150.661.40000116
2174Q29.6Very low29.9Very low164 Ų164132.4 Ų132.477%0.76673%0.733SS**  155.2139.561.8-101.7-179.7-7.700114.6
2175Q28.2Very low30.2Very low156 Ų156135 Ų13573%0.72974%0.737SS**  trans60.6132.1149-72.5-171.86.900117.6
2176K31.3Very low30.5Very low179.4 Ų179.4138.9 Ų138.978%0.7875%0.745SS**  155141.389.3-97.5174.1179.7176.50113.2
2177N27.7Very low30.8Very low141.2 Ų141.2140.6 Ų140.676%0.75575%0.75SS**  trans-101.9158.5152.8-75.312.8000112.4I2179N2177-I2179 HydrophobicContact CB-CD1 4.07Å; N2177-I2179 HydrophobicContact CB-CG1 4.02Å
2178P38.3Very low31Very low116 Ų116141.5 Ų141.575%0.75375%0.751SS**  trans-103.9160.7143.830.6-23.9000111.7
2179I33.6Very low31.2Very low140.6 Ų140.6144.1 Ų144.172%0.72175%0.752SS**  129.1127.569.4-72.2169.7000110N2177N2177-I2179 HydrophobicContact CB-CD1 4.07Å; N2177-I2179 HydrophobicContact CB-CG1 4.02Å
2180D31.4Very low31.6Very low132.6 Ų132.6145.1 Ų145.171%0.70975%0.753SS**  trans-92.5161173.9-60.7-39.5000113.7
2181D34.1Very low31.8Very low142.2 Ų142.2148.3 Ų148.376%0.7676%0.756SS**  cis-155.4139.242.6-99.7-41.9000112.3
2182N30.8Very low32.1Very low118 Ų118147.4 Ų147.463%0.63176%0.756SS**  trans20.9152.4151.3-65.4-47.3000120.8
2183Y36.3Very low32.4Very low209 Ų209150.2 Ų150.282%0.8276%0.757SS**  trans114.4141.7150.3-68.5-63.6000114.9
2184E33.7Very low32.7Very low161.8 Ų161.8153.7 Ų153.776%0.75676%0.762SS**  cis-151.5178.4-14.9-82.7167.3160.700112.5
2185E34.1Very low32.9Very low175.6 Ų175.6154 Ų15482%0.82176%0.76SS**  trans122.2127.6-173.7-74.3172.6-173.900112.5
2186E33.7Very low33.3Very low174.6 Ų174.6154.9 Ų154.982%0.81677%0.765SS**  91.313889.3-69.3-179162.900114.6
2187E32.1Very low33.6Very low171.8 Ų171.8153.7 Ų153.780%0.80376%0.762SS**  177.9154.763.6-80.9-178.7170.300114.5
2188E32.7Very low34.1Very low155.6 Ų155.6153.3 Ų153.373%0.72776%0.76SS**  trans164.4159.1140.2-101-160.9149.700116.6
2189Q29.4Very low34Very low155.6 Ų155.6154.4 Ų154.473%0.72776%0.759SS**  84.6146.7103.6-85-173.148.600117.3
2190V33.7Very low34.3Very low121.4 Ų121.4155.5 Ų155.574%0.73676%0.761SS**  139.4135.8123165.30000117.5
2191E31.7Very low34.8Very low178.8 Ų178.8154.7 Ų154.784%0.83676%0.76SS**  trans65.7150.2158.4-59.4-176.9158.800122.3
2192A35.6Very low35Very low90.6 Ų90.6154.1 Ų154.175%0.74976%0.757SS**  92.1146.8113.200000117.1
2193E32.9Very low35.6Very low166 Ų166154.4 Ų154.478%0.77676%0.763SS**  cis156170.1-6.7-109.7-167.7-17900112.3K2195E2193-K2195 IonicContact OE1-NZ 3.22Å; E2193-K2195 PolarHBondContact OE1-NZ 2.87Å; E2193-K2195 IonicContact OE2-NZ 2.81Å; E2193-K2195 PolarHBondContact OE2-NZ 3.02Å
2194E35.5Very low36Very low176.2 Ų176.2151 Ų15182%0.82376%0.759SS**  trans123.7163.3130.6-60.8-176.3142.100116.1
2195K34.8Very low36.6Very low170.8 Ų170.8149.5 Ų149.574%0.74376%0.756SS**  -174.3144.7-86.1-81.4170-170.3151.30111.6E2193E2193-K2195 IonicContact OE1-NZ 3.22Å; E2193-K2195 PolarHBondContact OE1-NZ 2.87Å; E2193-K2195 IonicContact OE2-NZ 2.81Å; E2193-K2195 PolarHBondContact OE2-NZ 3.02Å
2196E36.2Very low37Very low175.4 Ų175.4146.9 Ų146.982%0.8275%0.748SS**  trans158.4126.1134.9-84.4-177178.600111.1
2197H37.4Very low37.6Very low154.8 Ų154.8144.9 Ų144.972%0.71774%0.743SS**  68.912294-78.3-39.8000118.6
2198D38.1Very low38.4Very low132.4 Ų132.4143.4 Ų143.471%0.70874%0.74SS**  110.2140.7116.3-82.9-12.1000118.1
2199N36.7Very low39.2Very low137.8 Ų137.8142.6 Ų142.674%0.73774%0.741SS**  trans116.7135.6144.6-73.9-50.6000116
2200H38.6Very low40.3Very low165.4 Ų165.4141.9 Ų141.977%0.76674%0.742SS**  trans164.4127.5145.5-141.2-2.5000112.1D2202H2200-D2202 IonicContact CE1-OD1 3.89Å; H2200-D2202 PolarHBondContact CE1-OD1 3.41Å; H2200-D2202 IonicContact CE1-OD2 2.87Å; H2200-D2202 PolarHBondContact CE1-OD2 3.15Å; H2200-D2202 VanDerWaalsContact CE1-OD2 3.28Å; H2200-D2202 IonicContact ND1-OD1 3.07Å; H2200-D2202 IonicContact ND1-OD2 3.61Å
2201V41.5Very low41.1Very low115.6 Ų115.6143 Ų14370%0.70174%0.744SS**  trans165.6141.8136.4164.90000113.5
2202D38.9Very low41.9Very low128 Ų128140.8 Ų140.868%0.68474%0.738SS**  trans-132.4163.9-168.7-69.6-48.7000111.9H2200H2200-D2202 IonicContact CE1-OD1 3.89Å; H2200-D2202 PolarHBondContact CE1-OD1 3.41Å; H2200-D2202 IonicContact CE1-OD2 2.87Å; H2200-D2202 PolarHBondContact CE1-OD2 3.15Å; H2200-D2202 VanDerWaalsContact CE1-OD2 3.28Å; H2200-D2202 IonicContact ND1-OD1 3.07Å; H2200-D2202 IonicContact ND1-OD2 3.61Å
2203V43.8Very low42.4Very low124.4 Ų124.4142.6 Ų142.675%0.75474%0.735SS**  trans169140.6140.2153.10000110.5
2204D43.7Very low43Very low138 Ų138141.4 Ų141.474%0.73873%0.734SS**  trans-148.9171.5170.1-62.1-46000115.5
2205D46.4Very low43.7Very low130.2 Ų130.2139.5 Ų139.570%0.69673%0.729SS**  trans99.5118.4142.5-80-16.5000119.7
2206N43.6Very low44.4Very low121.4 Ų121.4137.8 Ų137.865%0.64973%0.729SS**  78.9144.7116.2-62.4-32.3000119.8
2207D45.8Very low45Very low132.4 Ų132.4136 Ų13671%0.70872%0.724SS**  trans92.5135.1137.8-61.7-15.8000119
2208D49.5Very low45.4Very low141 Ų141135.2 Ų135.275%0.75473%0.726SS**  111.6153.8126.1-76.4-13.9000118.6
2209D50.3Low45.7Very low137.8 Ų137.8135.7 Ų135.774%0.73773%0.728SS**  trans106.4142.3165.9-70.9-18.4000118.7
2210D51.2Low46Very low142 Ų142137.4 Ų137.476%0.75973%0.732SS**  84.8139.1119-57-16.9000120.9
2211D50.8Low46.2Very low144 Ų144136.3 Ų136.377%0.7773%0.732SS**  111136.8129.8-91.5-10.4000118.5
2212D48.3Very low46.2Very low133 Ų133138.1 Ų138.171%0.71174%0.737SS**  trans79.9150.9134.6-84-7000117.9
2213N47.2Very low46.3Very low128.8 Ų128.8139.2 Ų139.269%0.68974%0.743SS**  trans106136.3140.9-62.7-47.4000115.6
2214D45.7Very low46Very low139.6 Ų139.6140.7 Ų140.775%0.74775%0.747SS**  113.5157.386.6-72.2-22.4000116.8
2215D50Low45.6Very low136.6 Ų136.6137.4 Ų137.473%0.7375%0.746SS**  trans81.8142.7153.6-65-13.2000118.4
2216D49.3Very low44.8Very low136.2 Ų136.2138.9 Ų138.973%0.72875%0.752SS**  cis161.414510.7-67.4-18.6000116.2
2217D48Very low44.2Very low136.6 Ų136.6136.4 Ų136.473%0.7376%0.755SS**  78133.7127-80.6-0.2000121.6
2218D46.1Very low43.6Very low139 Ų139138.7 Ų138.774%0.74376%0.758SS**  trans49.1146.2140.1-72.7-11.7000119.5
2219D45.3Very low42.7Very low142.4 Ų142.4138.6 Ų138.676%0.76176%0.758SS**  119.5156.492.1-96.7-17.3000120
2220E42.1Very low41.8Very low173 Ų173139.7 Ų139.781%0.80876%0.762SS**  trans1.4153.4168.1-62.7-17614900118.6
2221D42.6Very low40.7Very low142.6 Ų142.6138 Ų13876%0.76376%0.757SS**  153.7145.8125.7-78.8-27.7000119
2222D40.7Very low39.7Very low152.8 Ų152.8139.8 Ų139.882%0.81776%0.758SS**  trans99.9155141.7-81.9-20.9000122.6
2223D42.4Very low38.8Very low151.8 Ų151.8140 Ų14081%0.81276%0.759SS**  trans98.7123.4140.8-111.2-4.2000122.1
2224D36.3Very low38Very low154.8 Ų154.8141.4 Ų141.483%0.82877%0.765SS**  trans22.8133.6149.5-114.6-9.6000119.7I2226D2224-I2226 PolarHBondContact O-N 2.73Å
2225G35Very low37.1Very low69.6 Ų69.6141.1 Ų141.172%0.71876%0.764SS**  trans178.470.516300000120.2G2227G2225-G2227 PolarHBondContact O-N 3.49Å; G2225-G2227 VanDerWaalsContact O-N 3.15Å
2226I29.9Very low36.2Very low161.8 Ų161.8142.8 Ų142.883%0.8377%0.767SS**  trans-10.5119.9161.3-58.3167.6000117.6D2224D2224-I2226 PolarHBondContact O-N 2.73Å
2227G31.7Very low35.2Very low68 Ų68144.4 Ų144.470%0.70177%0.77SS**  trans173.7114.9148.900000121.7G2225G2225-G2227 PolarHBondContact O-N 3.49Å; G2225-G2227 VanDerWaalsContact O-N 3.15Å
2228K33.8Very low34.3Very low181.2 Ų181.2143 Ų14379%0.78877%0.771SS**  trans63.4119.9164.1-68.1169.2-177.9166.30119.3
2229N29.4Very low33.5Very low140 Ų140140.9 Ų140.975%0.74977%0.768SS**  65.4121.6118.9-62.6-5.8000120.8
2230I31.2Very low32.8Very low159 Ų159140.1 Ų140.182%0.81576%0.763SS**  173.3124.3120.4-93.6153.7000112.4
2231T28.7Very low32.4Very low106.4 Ų106.4137.3 Ų137.365%0.65376%0.758SS**  trans41.6140.9151.465.10000118.7
2232K30.3Very low31.6Very low182.6 Ų182.6137.3 Ų137.379%0.79476%0.757SS**  trans146.4129.1130.6-86.2158.9-173.7173.50116.4
2233N28.6Very low31.1Very low137 Ų137135.9 Ų135.973%0.73375%0.747SS**  trans56.3138.5140.4-55.93.8000116.7
2234L30.7Very low30.4Very low158 Ų158135 Ų13583%0.82774%0.742SS**  -153.1164.459.5-79.9166.1000115.2
2235N27.6Very low30Very low133 Ų133132.8 Ų132.871%0.71173%0.73SS**  trans-108.4156-175.5-48.1-20.7000113.1
2236H30Very low29.6Very low173 Ų173135.4 Ų135.480%0.80173%0.727SS**  -178.3111.7128.9-107.2-78.5000114.9
2237E28.9Very low29.6Very low169.4 Ų169.4134.9 Ų134.979%0.79272%0.718SS**  trans-142139.1172.8-79.6170.9166.700112.4
2238S29.2Very low29.4Very low107 Ų107136.7 Ų136.775%0.74871%0.712SS**  trans-171.3118.7130.550.40000110.7
2239S29Very low29.3Very low96.2 Ų96.2135 Ų13567%0.67371%0.707SS**  trans121.199.8150.9160.10000116.3T2241S2239-T2241 PolarHBondContact O-N 3.1Å
2240D31.5Very low29.3Very low125.8 Ų125.8136.3 Ų136.367%0.67371%0.708SS**  trans-148101.1158.8-76.8-44.3000116.3L2242 M2243D2240-L2242 PolarHBondContact O-N 2.89Å; D2240-M2243 PolarHBondContact O-N 2.89Å
2241T32.1Very low29.3Very low113 Ų113133.2 Ų133.269%0.69371%0.707SS**  trans-45.2101166.524.10000116.9S2239 M2243 N2244 I2245S2239-T2241 PolarHBondContact O-N 3.1Å; T2241-M2243 PolarHBondContact O-N 2.86Å; T2241-N2244 PolarHBondContact O-N 3.24Å; T2241-I2245 HydrophobicContact CG2-CD1 4.34Å; T2241-I2245 WeakPolarHBondContact O-CD1 3.44Å
2242L27.1Very low29.3Very low142.4 Ų142.4131.4 Ų131.475%0.74671%0.709SS**  trans-131.699.3160.5-85.9168.2000114.4D2240 N2244D2240-L2242 PolarHBondContact O-N 2.89Å; L2242-N2244 PolarHBondContact O-N 3.35Å
2243M29.1Very low29.3Very low124.8 Ų124.8127.4 Ų127.462%0.61571%0.705SS**  trans-43.663.4166.7-72.4-72-7000115.7W1729 F1748 M1752 D2240 T2241W1729-M2243 HydrophobicContact CH2-SD 4.04Å; F1748-M2243 HydrophobicContact CZ-CE 4.47Å; M1752-M2243 HydrophobicContact CE-CE 3.51Å; M1752-M2243 HydrophobicContact CE-SD 4.15Å; D2240-M2243 PolarHBondContact O-N 2.89Å; T2241-M2243 PolarHBondContact O-N 2.86Å
2244N28.5Very low29.4Very low131.8 Ų131.8128 Ų12871%0.70571%0.707SS**  trans-71.585.7140.9-89.2-10.3000114.6T2241 L2242T2241-N2244 PolarHBondContact O-N 3.24Å; L2242-N2244 PolarHBondContact O-N 3.35Å
2245I28.4Very low29.4Very low109 Ų109127.1 Ų127.156%0.55970%0.704SS**  trans-168.376.3154.7-70.9167000115.7T2241 F2247T2241-I2245 HydrophobicContact CG2-CD1 4.34Å; T2241-I2245 WeakPolarHBondContact O-CD1 3.44Å; I2245-F2247 VanDerWaalsContact C-N 3.26Å; I2245-F2247 PolarHBondContact O-N 3.19Å
2246L27.1Very low29.5Very low125 Ų125127.6 Ų127.665%0.65471%0.706SS**  trans26.790.3164-86.2152.7000119
2247F29.3Very low29.5Very low150 Ų150127.5 Ų127.566%0.65871%0.708SS**  trans-168.8130.9142.1-77.3-82.5000118.7I2245I2245-F2247 VanDerWaalsContact C-N 3.26Å; I2245-F2247 PolarHBondContact O-N 3.19Å
2248D27.8Very low29.3Very low106.2 Ų106.2127.3 Ų127.357%0.56871%0.709SS**  trans-85.5115.8165.7-62.4-43.4000115.7R1687R1687-D2248 IonicContact CZ-OD1 2.72Å; R1687-D2248 IonicContact NH1-OD2 2.73Å; R1687-D2248 IonicContact NH2-OD1 3.37Å; R1687-D2248 PolarHBondContact NH2-OD1 3.42Å; R1687-D2248 IonicContact NH2-OD2 3.24Å
2249E31Very low29.3Very low144.8 Ų144.8127.8 Ų127.868%0.67771%0.708SS**  -167.3154.6106.1-119.9176.817700115.8R1839R1839-E2249 IonicContact CZ-OE1 2.65Å; R1839-E2249 IonicContact CZ-OE2 3.8Å; R1839-E2249 VanDerWaalsContact NE-CD 3.34Å; R1839-E2249 IonicContact NE-OE1 2.68Å; R1839-E2249 PolarHBondContact NE-OE1 2.9Å; R1839-E2249 IonicContact NE-OE2 3.61Å; R1839-E2249 IonicContact NH2-OE1 2.81Å; R1839-E2249 PolarHBondContact NH2-OE1 3.01Å; R1839-E2249 IonicContact NH2-OE2 2.67Å; R1839-E2249 PolarHBondContact NH2-OE2 2.92Å
2250E30.2Very low29.2Very low167.6 Ų167.6128.8 Ų128.878%0.78372%0.715SS**  trans-38120.9171.8-61-171.414900119.2
2251A29.6Very low29.1Very low95 Ų95127.5 Ų127.579%0.78572%0.721SS**  trans175115.1143.500000115.1
2252G29.1Very low29.1Very low68 Ų68126.9 Ų126.970%0.70172%0.722SS**  trans149.9124.1177.100000114.1
2253S29.7Very low29.4Very low99.2 Ų99.2127.9 Ų127.969%0.69472%0.72SS**  71118.8129.3172.40000114.6
2254D32.5Very low30Very low147.8 Ų147.8124.7 Ų124.779%0.7971%0.71SS**  trans-168.1106.8135.3-82.1-22.2000111.1
2255D30.2Very low30.3Very low140.2 Ų140.2123.1 Ų123.175%0.7570%0.702SS**  trans-59.4144.8136.6-89.8-7.8000116.4
2256N30.1Very low30.8Very low142.6 Ų142.6122.6 Ų122.676%0.76370%0.703SS**  trans56.1108.8160.6-61.7-63.3000118
2257M28.3Very low31.3Very low170.8 Ų170.8121 Ų12184%0.84170%0.696SS**  -177.9150.793-93-171.67300113.5T2259M2257-T2259 HydrophobicContact CE-CG2 4.31Å; M2257-T2259 PolarHBondContact O-N 3.24Å; M2257-T2259 VanDerWaalsContact O-N 3.11Å
2258M26.4Very low31.8Very low167 Ų167117.9 Ų117.982%0.82368%0.684SS**  trans-36.6129.3177.6-95.2-85.8-169.900116.1
2259T28.3Very low32.2Very low117.2 Ų117.2118.1 Ų118.172%0.71968%0.684SS**  trans152.2131.8154.745.60000116.4M2257M2257-T2259 HydrophobicContact CE-CG2 4.31Å; M2257-T2259 PolarHBondContact O-N 3.24Å; M2257-T2259 VanDerWaalsContact O-N 3.11Å
2260S27.1Very low32.6Very low116.2 Ų116.2116.2 Ų116.281%0.81368%0.678SS**  trans100.1120150.5660000116.9
2261A29.8Very low33Very low98.2 Ų98.2112.6 Ų112.681%0.81266%0.661SS**  trans104.8135.8149.500000113.6K2263A2261-K2263 PolarHBondContact O-N 2.93Å; A2261-K2263 VanDerWaalsContact O-N 3.08Å
2262S31.8Very low33.3Very low100.4 Ų100.4112.6 Ų112.670%0.70265%0.647SS**  trans-146.8125.5168.971.70000112.5S2264 D2265 V2266S2262-S2264 VanDerWaalsContact C-N 3.26Å; S2262-S2264 PolarHBondContact OG-OG 3.49Å; S2262-D2265 WeakPolarHBondContact CA-OD2 3.07Å; S2262-D2265 WeakPolarHBondContact CB-OD2 3.32Å; S2262-D2265 WeakPolarHBondContact O-CA 3.22Å; S2262-D2265 PolarHBondContact O-N 2.95Å; S2262-V2266 PolarHBondContact O-N 3.46Å
2263K34Very low33.6Very low164.6 Ų164.6111.9 Ų111.972%0.71663%0.632SS**  trans-63.285.8170.5-131.4176.3-178.4179.10111.3A2261 D2265 D2267 E2271A2261-K2263 PolarHBondContact O-N 2.93Å; A2261-K2263 VanDerWaalsContact O-N 3.08Å; K2263-D2265 PolarHBondContact O-N 3.15Å; K2263-D2267 HydrophobicContact CD-CB 4.16Å; K2263-D2267 HydrophobicContact CG-CB 4.02Å; K2263-E2271 IonicContact NZ-OE2 3.24Å; K2263-E2271 PolarHBondContact NZ-OE2 3.02Å
2264S41.7Very low33.8Very low57 Ų57109.5 Ų109.540%0.39962%0.618SS.*Hα-helixtrans-81.7-47.6174.3730000112.6S2262 V2266 D2267 M2268S2262-S2264 VanDerWaalsContact C-N 3.26Å; S2262-S2264 PolarHBondContact OG-OG 3.49Å; S2264-V2266 PolarHBondContact O-N 3.24Å; S2264-V2266 PolarHBondContact OG-N 2.88Å; S2264-D2267 VanDerWaalsContact CB-OD2 3.3Å; S2264-D2267 WeakPolarHBondContact CB-OD2 3.39Å; S2264-D2267 PolarHBondContact N-OD2 3.12Å; S2264-D2267 WeakPolarHBondContact O-CB 3.4Å; S2264-D2267 PolarHBondContact O-N 3.19Å; S2264-D2267 VanDerWaalsContact O-N 3.15Å; S2264-D2267 PolarHBondContact OG-N 2.98Å; S2264-D2267 VanDerWaalsContact OG-N 3.14Å; S2264-D2267 PolarHBondContact OG-OD2 3.14Å; S2264-M2268 WeakPolarHBondContact O-CA 3.34Å; S2264-M2268 WeakPolarHBondContact O-CB 3.37Å; S2264-M2268 VanDerWaalsContact O-CG 3.25Å; S2264-M2268 WeakPolarHBondContact O-CG 3.46Å; S2264-M2268 PolarHBondContact O-N 3.06Å; S2264-M2268 VanDerWaalsContact O-N 3.1Å
2265D34.9Very low34.1Very low99.2 Ų99.2107.6 Ų107.653%0.5360%0.603SS.*Hα-helixtrans-74.2-24.2-171.1-53.4-34.2000112.5S2262 K2263 M2268 I2269S2262-D2265 WeakPolarHBondContact CA-OD2 3.07Å; S2262-D2265 WeakPolarHBondContact CB-OD2 3.32Å; S2262-D2265 WeakPolarHBondContact O-CA 3.22Å; S2262-D2265 PolarHBondContact O-N 2.95Å; K2263-D2265 PolarHBondContact O-N 3.15Å; D2265-M2268 PolarHBondContact O-N 3.39Å; D2265-M2268 VanDerWaalsContact OD1-CE 3.25Å; D2265-M2268 WeakPolarHBondContact OD1-CE 3.36Å; D2265-I2269 WeakPolarHBondContact O-CA 3.23Å; D2265-I2269 WeakPolarHBondContact O-CB 3.32Å; D2265-I2269 VanDerWaalsContact O-CD1 3.29Å; D2265-I2269 WeakPolarHBondContact O-CD1 3.32Å; D2265-I2269 VanDerWaalsContact O-CG1 3.32Å; D2265-I2269 WeakPolarHBondContact O-CG1 3.37Å; D2265-I2269 PolarHBondContact O-N 3.14Å; D2265-I2269 VanDerWaalsContact O-N 3.13Å
2266V37.3Very low34.3Very low98.2 Ų98.2106.6 Ų106.660%0.59559%0.592SS**Hα-helixtrans-69.3-42.2170.9-178.20000110.7S2262 S2264 M2268 I2269 L2270S2262-V2266 PolarHBondContact O-N 3.46Å; S2264-V2266 PolarHBondContact O-N 3.24Å; S2264-V2266 PolarHBondContact OG-N 2.88Å; V2266-M2268 VanDerWaalsContact C-N 3.33Å; V2266-I2269 PolarHBondContact O-N 3.23Å; V2266-L2270 HydrophobicContact CG1-CD1 4.22Å; V2266-L2270 HydrophobicContact CG1-CG 4.44Å; V2266-L2270 WeakPolarHBondContact O-CB 3.37Å; V2266-L2270 VanDerWaalsContact O-CG 3.29Å; V2266-L2270 WeakPolarHBondContact O-CG 3.29Å; V2266-L2270 PolarHBondContact O-N 3.05Å
2267D38Very low34.5Very low91.6 Ų91.6105.5 Ų105.549%0.4959%0.585SS.*Hα-helixtrans-66.8-38.9175.5-64.8-44.4000110.8K2263 S2264 I2269 L2270 E2271K2263-D2267 HydrophobicContact CD-CB 4.16Å; K2263-D2267 HydrophobicContact CG-CB 4.02Å; S2264-D2267 VanDerWaalsContact CB-OD2 3.3Å; S2264-D2267 WeakPolarHBondContact CB-OD2 3.39Å; S2264-D2267 PolarHBondContact N-OD2 3.12Å; S2264-D2267 WeakPolarHBondContact O-CB 3.4Å; S2264-D2267 PolarHBondContact O-N 3.19Å; S2264-D2267 VanDerWaalsContact O-N 3.15Å; S2264-D2267 PolarHBondContact OG-N 2.98Å; S2264-D2267 VanDerWaalsContact OG-N 3.14Å; S2264-D2267 PolarHBondContact OG-OD2 3.14Å; D2267-I2269 VanDerWaalsContact C-N 3.33Å; D2267-I2269 PolarHBondContact O-N 2.81Å; D2267-L2270 PolarHBondContact O-N 3.16Å; D2267-E2271 WeakPolarHBondContact O-CA 3.31Å; D2267-E2271 VanDerWaalsContact O-CB 3.27Å; D2267-E2271 WeakPolarHBondContact O-CB 3.23Å; D2267-E2271 PolarHBondContact O-N 3.27Å
2268M39.2Very low34.8Very low84.4 Ų84.4102.1 Ų102.142%0.41657%0.57SS.*Hα-helixtrans-68-33.8174-102.2-171.9-61.900112.7L1681 S2264 D2265 V2266 E2271 L2272L1681-M2268 HydrophobicContact CD2-CB 4.13Å; L1681-M2268 HydrophobicContact CD2-CE 4.33Å; L1681-M2268 HydrophobicContact CD2-CG 4.49Å; L1681-M2268 HydrophobicContact CD2-SD 3.74Å; S2264-M2268 WeakPolarHBondContact O-CA 3.34Å; S2264-M2268 WeakPolarHBondContact O-CB 3.37Å; S2264-M2268 VanDerWaalsContact O-CG 3.25Å; S2264-M2268 WeakPolarHBondContact O-CG 3.46Å; S2264-M2268 PolarHBondContact O-N 3.06Å; S2264-M2268 VanDerWaalsContact O-N 3.1Å; D2265-M2268 PolarHBondContact O-N 3.39Å; D2265-M2268 VanDerWaalsContact OD1-CE 3.25Å; D2265-M2268 WeakPolarHBondContact OD1-CE 3.36Å; V2266-M2268 VanDerWaalsContact C-N 3.33Å; M2268-E2271 PolarHBondContact O-N 3.15Å; M2268-L2272 HydrophobicContact CB-CD1 4.15Å; M2268-L2272 HydrophobicContact CB-CG 4.31Å; M2268-L2272 VanDerWaalsContact O-CA 3.28Å; M2268-L2272 WeakPolarHBondContact O-CA 3.31Å; M2268-L2272 VanDerWaalsContact O-CB 3.28Å; M2268-L2272 WeakPolarHBondContact O-CB 3.38Å; M2268-L2272 WeakPolarHBondContact O-CD1 3.41Å; M2268-L2272 VanDerWaalsContact O-CG 3.27Å; M2268-L2272 WeakPolarHBondContact O-CG 3.36Å; M2268-L2272 PolarHBondContact O-N 3.3Å
2269I37.6Very low35.3Very low110.6 Ų110.699 Ų9957%0.56756%0.557SS**Hα-helixtrans-71.8-36.2174-72.7165.2000110.9D2265 V2266 D2267 L2272 S2273D2265-I2269 WeakPolarHBondContact O-CA 3.23Å; D2265-I2269 WeakPolarHBondContact O-CB 3.32Å; D2265-I2269 VanDerWaalsContact O-CD1 3.29Å; D2265-I2269 WeakPolarHBondContact O-CD1 3.32Å; D2265-I2269 VanDerWaalsContact O-CG1 3.32Å; D2265-I2269 WeakPolarHBondContact O-CG1 3.37Å; D2265-I2269 PolarHBondContact O-N 3.14Å; D2265-I2269 VanDerWaalsContact O-N 3.13Å; V2266-I2269 PolarHBondContact O-N 3.23Å; D2267-I2269 VanDerWaalsContact C-N 3.33Å; D2267-I2269 PolarHBondContact O-N 2.81Å; I2269-L2272 PolarHBondContact O-N 3.16Å; I2269-S2273 WeakPolarHBondContact O-CA 3.46Å; I2269-S2273 VanDerWaalsContact O-CB 3.27Å; I2269-S2273 WeakPolarHBondContact O-CB 3.35Å; I2269-S2273 PolarHBondContact O-N 3.27Å; I2269-S2273 PolarHBondContact O-OG 3.13Å
2270L38.3Very low35.4Very low105.2 Ų105.297.8 Ų97.855%0.55155%0.546SS*.Hα-helixtrans-67.3-43.4172-73.5169.2000111.4V2266 D2267 L2272 S2273 A2274V2266-L2270 HydrophobicContact CG1-CD1 4.22Å; V2266-L2270 HydrophobicContact CG1-CG 4.44Å; V2266-L2270 WeakPolarHBondContact O-CB 3.37Å; V2266-L2270 VanDerWaalsContact O-CG 3.29Å; V2266-L2270 WeakPolarHBondContact O-CG 3.29Å; V2266-L2270 PolarHBondContact O-N 3.05Å; D2267-L2270 PolarHBondContact O-N 3.16Å; L2270-L2272 VanDerWaalsContact C-N 3.35Å; L2270-L2272 PolarHBondContact O-N 3.25Å; L2270-S2273 WeakPolarHBondContact CA-OG 3.39Å; L2270-S2273 PolarHBondContact O-N 3.28Å; L2270-S2273 VanDerWaalsContact O-N 3.1Å; L2270-S2273 PolarHBondContact O-OG 3.31Å; L2270-S2273 VanDerWaalsContact O-OG 3.09Å; L2270-A2274 WeakPolarHBondContact O-CB 3.27Å; L2270-A2274 PolarHBondContact O-N 3.12Å
2271E39.1Very low35.6Very low91.4 Ų91.498 Ų9843%0.42754%0.538SS..Hα-helixtrans-70-33.8178.7-162.2-176.515800112.4K2263 D2267 M2268 S2273 A2274 K2275K2263-E2271 IonicContact NZ-OE2 3.24Å; K2263-E2271 PolarHBondContact NZ-OE2 3.02Å; D2267-E2271 WeakPolarHBondContact O-CA 3.31Å; D2267-E2271 VanDerWaalsContact O-CB 3.27Å; D2267-E2271 WeakPolarHBondContact O-CB 3.23Å; D2267-E2271 PolarHBondContact O-N 3.27Å; M2268-E2271 PolarHBondContact O-N 3.15Å; E2271-S2273 VanDerWaalsContact C-N 3.31Å; E2271-S2273 PolarHBondContact O-N 3.17Å; E2271-A2274 PolarHBondContact O-N 2.84Å; E2271-K2275 HydrophobicContact CG-CD 4.22Å; E2271-K2275 WeakPolarHBondContact O-CB 3.3Å; E2271-K2275 WeakPolarHBondContact O-CD 3.39Å; E2271-K2275 WeakPolarHBondContact O-CG 3.37Å; E2271-K2275 PolarHBondContact O-N 3.1Å; E2271-K2275 VanDerWaalsContact O-N 3.16Å; E2271-K2275 VanDerWaalsContact OE1-CE 3.31Å; E2271-K2275 WeakPolarHBondContact OE1-CE 3.41Å; E2271-K2275 IonicContact OE1-NZ 3.36Å; E2271-K2275 PolarHBondContact OE1-NZ 3.15Å; E2271-K2275 IonicContact OE2-NZ 2.63Å
2272L35.6Very low35.6Very low94 Ų9498.2 Ų98.249%0.49252%0.524SS..Hα-helixtrans-75.8-28.1171.3-73168.9000113.1L1681 L1739 M2268 I2269 L2270 A2274 K2275 K2276L1681-L2272 HydrophobicContact CD1-CD1 4.07Å; L1681-L2272 HydrophobicContact CD2-CD1 4.03Å; L1681-L2272 HydrophobicContact CG-CD1 4.48Å; L1739-L2272 HydrophobicContact CD1-CD2 3.83Å; M2268-L2272 HydrophobicContact CB-CD1 4.15Å; M2268-L2272 HydrophobicContact CB-CG 4.31Å; M2268-L2272 VanDerWaalsContact O-CA 3.28Å; M2268-L2272 WeakPolarHBondContact O-CA 3.31Å; M2268-L2272 VanDerWaalsContact O-CB 3.28Å; M2268-L2272 WeakPolarHBondContact O-CB 3.38Å; M2268-L2272 WeakPolarHBondContact O-CD1 3.41Å; M2268-L2272 VanDerWaalsContact O-CG 3.27Å; M2268-L2272 WeakPolarHBondContact O-CG 3.36Å; M2268-L2272 PolarHBondContact O-N 3.3Å; I2269-L2272 PolarHBondContact O-N 3.16Å; L2270-L2272 VanDerWaalsContact C-N 3.35Å; L2270-L2272 PolarHBondContact O-N 3.25Å; L2272-A2274 VanDerWaalsContact C-N 3.28Å; L2272-K2275 CarbonylContact O-C 3.5Å; L2272-K2275 PolarHBondContact O-N 3.42Å; L2272-K2276 VanDerWaalsContact O-CA 3.24Å; L2272-K2276 WeakPolarHBondContact O-CA 3.41Å; L2272-K2276 VanDerWaalsContact O-CB 3.22Å; L2272-K2276 WeakPolarHBondContact O-CB 3.35Å; L2272-K2276 PolarHBondContact O-N 3.05Å
2273S35.6Very low35.4Very low54.2 Ų54.2100.7 Ų100.738%0.37953%0.529SS..Hα-helixtrans-77.4-34.817358.10000112I2269 L2270 E2271 K2276 L2277I2269-S2273 WeakPolarHBondContact O-CA 3.46Å; I2269-S2273 VanDerWaalsContact O-CB 3.27Å; I2269-S2273 WeakPolarHBondContact O-CB 3.35Å; I2269-S2273 PolarHBondContact O-N 3.27Å; I2269-S2273 PolarHBondContact O-OG 3.13Å; L2270-S2273 WeakPolarHBondContact CA-OG 3.39Å; L2270-S2273 PolarHBondContact O-N 3.28Å; L2270-S2273 VanDerWaalsContact O-N 3.1Å; L2270-S2273 PolarHBondContact O-OG 3.31Å; L2270-S2273 VanDerWaalsContact O-OG 3.09Å; E2271-S2273 VanDerWaalsContact C-N 3.31Å; E2271-S2273 PolarHBondContact O-N 3.17Å; S2273-K2276 PolarHBondContact O-N 3.22Å; S2273-L2277 VanDerWaalsContact O-CB 3.23Å; S2273-L2277 WeakPolarHBondContact O-CB 3.27Å; S2273-L2277 VanDerWaalsContact O-CD1 3.3Å; S2273-L2277 WeakPolarHBondContact O-CD1 3.41Å; S2273-L2277 PolarHBondContact O-N 3.22Å; S2273-L2277 VanDerWaalsContact O-N 3.14Å
2274A35.1Very low35.2Very low49 Ų4997.7 Ų97.741%0.40553%0.529SS..Hα-helixtrans-60.7-58166.900000111.1L2270 E2271 L2272 K2276 L2277 D2278L2270-A2274 WeakPolarHBondContact O-CB 3.27Å; L2270-A2274 PolarHBondContact O-N 3.12Å; E2271-A2274 PolarHBondContact O-N 2.84Å; L2272-A2274 VanDerWaalsContact C-N 3.28Å; A2274-K2276 PolarHBondContact O-N 3.09Å; A2274-L2277 CarbonylContact O-C 3.53Å; A2274-L2277 WeakPolarHBondContact O-CA 3.3Å; A2274-L2277 VanDerWaalsContact O-CB 3.32Å; A2274-L2277 WeakPolarHBondContact O-CB 3.33Å; A2274-L2277 PolarHBondContact O-N 3.13Å; A2274-L2277 VanDerWaalsContact O-N 3.17Å; A2274-D2278 PolarHBondContact O-N 3.12Å; A2274-D2278 VanDerWaalsContact O-N 3.12Å
2275K36.8Very low34.6Very low107.6 Ų107.699.7 Ų99.747%0.46854%0.542SS..Hα-helixtrans-61.9-14.2179.6-70.5170.7-177.8171.10114.5E2271 L2272 D2278 N2279E2271-K2275 HydrophobicContact CG-CD 4.22Å; E2271-K2275 WeakPolarHBondContact O-CB 3.3Å; E2271-K2275 WeakPolarHBondContact O-CD 3.39Å; E2271-K2275 WeakPolarHBondContact O-CG 3.37Å; E2271-K2275 PolarHBondContact O-N 3.1Å; E2271-K2275 VanDerWaalsContact O-N 3.16Å; E2271-K2275 VanDerWaalsContact OE1-CE 3.31Å; E2271-K2275 WeakPolarHBondContact OE1-CE 3.41Å; E2271-K2275 IonicContact OE1-NZ 3.36Å; E2271-K2275 PolarHBondContact OE1-NZ 3.15Å; E2271-K2275 IonicContact OE2-NZ 2.63Å; L2272-K2275 CarbonylContact O-C 3.5Å; L2272-K2275 PolarHBondContact O-N 3.42Å; K2275-D2278 VanDerWaalsContact CA-OD2 3.31Å; K2275-D2278 WeakPolarHBondContact CA-OD2 3.36Å; K2275-D2278 PolarHBondContact N-OD2 2.89Å; K2275-N2279 VanDerWaalsContact O-CB 3.25Å; K2275-N2279 WeakPolarHBondContact O-CB 3.41Å; K2275-N2279 PolarHBondContact O-N 2.73Å; K2275-N2279 PolarHBondContact O-ND2 3.29Å; K2275-N2279 PolarHBondContact O-OD1 3.23Å
2276K36.2Very low34.3Very low120 Ų12098.4 Ų98.452%0.52255%0.553SS.*Hα-helixtrans-95.7-22.1173.6-142.1177.2-177.3172.10112.7E1545 L2272 S2273 A2274 D2278 N2279 L2280E1545-K2276 VanDerWaalsContact CD-CE 3.43Å; E1545-K2276 PolarHBondContact O-NZ 3.19Å; E1545-K2276 VanDerWaalsContact OE1-CD 3.22Å; E1545-K2276 WeakPolarHBondContact OE1-CD 3.28Å; E1545-K2276 WeakPolarHBondContact OE1-CE 3.19Å; E1545-K2276 IonicContact OE1-NZ 2.64Å; E1545-K2276 PolarHBondContact OE1-NZ 3.49Å; E1545-K2276 WeakPolarHBondContact OE2-CD 3.33Å; E1545-K2276 WeakPolarHBondContact OE2-CE 3.32Å; E1545-K2276 IonicContact OE2-NZ 3.95Å; E1545-K2276 PolarHBondContact OE2-NZ 3.41Å; L2272-K2276 VanDerWaalsContact O-CA 3.24Å; L2272-K2276 WeakPolarHBondContact O-CA 3.41Å; L2272-K2276 VanDerWaalsContact O-CB 3.22Å; L2272-K2276 WeakPolarHBondContact O-CB 3.35Å; L2272-K2276 PolarHBondContact O-N 3.05Å; S2273-K2276 PolarHBondContact O-N 3.22Å; A2274-K2276 PolarHBondContact O-N 3.09Å; K2276-D2278 VanDerWaalsContact C-N 3.27Å; K2276-D2278 PolarHBondContact O-N 2.87Å; K2276-N2279 PolarHBondContact O-N 2.8Å; K2276-L2280 WeakPolarHBondContact O-CB 3.43Å; K2276-L2280 WeakPolarHBondContact O-CD1 3.44Å; K2276-L2280 WeakPolarHBondContact O-CG 3.47Å; K2276-L2280 PolarHBondContact O-N 2.94Å
2277L34.3Very low34Very low118 Ų118100 Ų10062%0.61856%0.563SS**Hα-helixtrans-73-39.9166.8-11668.6000111.3S2273 A2274 N2279 L2280S2273-L2277 VanDerWaalsContact O-CB 3.23Å; S2273-L2277 WeakPolarHBondContact O-CB 3.27Å; S2273-L2277 VanDerWaalsContact O-CD1 3.3Å; S2273-L2277 WeakPolarHBondContact O-CD1 3.41Å; S2273-L2277 PolarHBondContact O-N 3.22Å; S2273-L2277 VanDerWaalsContact O-N 3.14Å; A2274-L2277 CarbonylContact O-C 3.53Å; A2274-L2277 WeakPolarHBondContact O-CA 3.3Å; A2274-L2277 VanDerWaalsContact O-CB 3.32Å; A2274-L2277 WeakPolarHBondContact O-CB 3.33Å; A2274-L2277 PolarHBondContact O-N 3.13Å; A2274-L2277 VanDerWaalsContact O-N 3.17Å; L2277-N2279 VanDerWaalsContact C-N 3.29Å; L2277-N2279 PolarHBondContact O-N 3.04Å; L2277-L2280 HydrophobicContact CD1-CD1 4.33Å; L2277-L2280 HydrophobicContact CG-CD1 4.49Å; L2277-L2280 CarbonylContact O-C 3.18Å; L2277-L2280 WeakPolarHBondContact O-CA 3.36Å; L2277-L2280 WeakPolarHBondContact O-CB 3.25Å; L2277-L2280 PolarHBondContact O-N 3.18Å
2278D34.6Very low33.8Very low100.2 Ų100.2101.1 Ų101.154%0.53657%0.568SS.*THydrogen-bonded Turntrans-59.4-23177.5-65.7-37.1000113.4A2274 K2275 K2276 L2280 N2281A2274-D2278 PolarHBondContact O-N 3.12Å; A2274-D2278 VanDerWaalsContact O-N 3.12Å; K2275-D2278 VanDerWaalsContact CA-OD2 3.31Å; K2275-D2278 WeakPolarHBondContact CA-OD2 3.36Å; K2275-D2278 PolarHBondContact N-OD2 2.89Å; K2276-D2278 VanDerWaalsContact C-N 3.27Å; K2276-D2278 PolarHBondContact O-N 2.87Å; D2278-L2280 VanDerWaalsContact C-N 3.27Å; D2278-L2280 PolarHBondContact O-N 3.29Å; D2278-N2281 PolarHBondContact O-ND2 3.29Å
2279N36Very low33.7Very low101.2 Ų101.2102.2 Ų102.254%0.54158%0.575SS.*THydrogen-bonded Turntrans-83.7-7.9177.2-71.9-50.5000114.1T1741 Q1744 K2275 K2276 L2277 N2281T1741-N2279 HydrophobicContact CG2-CB 4.4Å; Q1744-N2279 PolarHBondContact NE2-OD1 3.36Å; K2275-N2279 VanDerWaalsContact O-CB 3.25Å; K2275-N2279 WeakPolarHBondContact O-CB 3.41Å; K2275-N2279 PolarHBondContact O-N 2.73Å; K2275-N2279 PolarHBondContact O-ND2 3.29Å; K2275-N2279 PolarHBondContact O-OD1 3.23Å; K2276-N2279 PolarHBondContact O-N 2.8Å; L2277-N2279 VanDerWaalsContact C-N 3.29Å; L2277-N2279 PolarHBondContact O-N 3.04Å; N2279-N2281 VanDerWaalsContact C-N 3.34Å; N2279-N2281 PolarHBondContact O-N 3.22Å; N2279-N2281 VanDerWaalsContact O-N 3.12Å
2280L30.1Very low33.6Very low91.6 Ų91.6103.2 Ų103.248%0.4858%0.582SS.*  trans-92.880.3176.3-72.3169.2000110.6K2276 L2277 D2278 I2282K2276-L2280 WeakPolarHBondContact O-CB 3.43Å; K2276-L2280 WeakPolarHBondContact O-CD1 3.44Å; K2276-L2280 WeakPolarHBondContact O-CG 3.47Å; K2276-L2280 PolarHBondContact O-N 2.94Å; L2277-L2280 HydrophobicContact CD1-CD1 4.33Å; L2277-L2280 HydrophobicContact CG-CD1 4.49Å; L2277-L2280 CarbonylContact O-C 3.18Å; L2277-L2280 WeakPolarHBondContact O-CA 3.36Å; L2277-L2280 WeakPolarHBondContact O-CB 3.25Å; L2277-L2280 PolarHBondContact O-N 3.18Å; D2278-L2280 VanDerWaalsContact C-N 3.27Å; D2278-L2280 PolarHBondContact O-N 3.29Å; L2280-I2282 HydrophobicContact CB-CD1 4.01Å; L2280-I2282 HydrophobicContact CB-CG1 4.07Å; L2280-I2282 HydrophobicContact CD1-CD1 4.49Å; L2280-I2282 HydrophobicContact CD2-CD1 4.21Å; L2280-I2282 HydrophobicContact CG-CD1 4.49Å; L2280-I2282 PolarHBondContact O-N 2.89Å
2281N32Very low33.7Very low121.4 Ų121.4105.4 Ų105.465%0.64959%0.587SS**  trans-73.251.3-178.6-128.8-46.1000113.1R1747 D2278 N2279 L2283 S2284 S2285R1747-N2281 VanDerWaalsContact CZ-OD1 3.25Å; R1747-N2281 PolarHBondContact NH1-OD1 2.99Å; R1747-N2281 PolarHBondContact NH2-OD1 3.06Å; D2278-N2281 PolarHBondContact O-ND2 3.29Å; N2279-N2281 VanDerWaalsContact C-N 3.34Å; N2279-N2281 PolarHBondContact O-N 3.22Å; N2279-N2281 VanDerWaalsContact O-N 3.12Å; N2281-L2283 VanDerWaalsContact C-N 3.34Å; N2281-L2283 PolarHBondContact O-N 2.99Å; N2281-S2284 PolarHBondContact O-N 2.93Å; N2281-S2285 PolarHBondContact O-OG 3.47Å
2282I29.4Very low33.5Very low102.8 Ų102.8105 Ų10553%0.52759%0.587SS.*  trans-102.585.7-179-48.9179.9000108.7L2280 I2288 L2292L2280-I2282 HydrophobicContact CB-CD1 4.01Å; L2280-I2282 HydrophobicContact CB-CG1 4.07Å; L2280-I2282 HydrophobicContact CD1-CD1 4.49Å; L2280-I2282 HydrophobicContact CD2-CD1 4.21Å; L2280-I2282 HydrophobicContact CG-CD1 4.49Å; L2280-I2282 PolarHBondContact O-N 2.89Å; I2282-I2288 HydrophobicContact CB-CG1 4.26Å; I2282-I2288 HydrophobicContact CD1-CG2 4.35Å; I2282-I2288 HydrophobicContact CG1-CG1 4.17Å; I2282-I2288 HydrophobicContact CG1-CG2 4.35Å; I2282-I2288 HydrophobicContact CG2-CB 4.46Å; I2282-I2288 HydrophobicContact CG2-CD1 4.2Å; I2282-I2288 HydrophobicContact CG2-CG1 4Å; I2282-I2288 HydrophobicContact CG2-CG2 4.17Å; I2282-L2292 HydrophobicContact CD1-CD1 4.06Å
2283L26.9Very low33.6Very low152.6 Ų152.6105.9 Ų105.980%0.79959%0.592SS**  trans-173.629.8177-73.4171.3000114.1N2281 S2285 I2288 I2316N2281-L2283 VanDerWaalsContact C-N 3.34Å; N2281-L2283 PolarHBondContact O-N 2.99Å; L2283-S2285 PolarHBondContact O-N 3Å; L2283-I2288 HydrophobicContact CD2-CD1 4Å; L2283-I2288 HydrophobicContact CD2-CG1 4.31Å; L2283-I2316 HydrophobicContact CD1-CG2 4.05Å
2284S30Very low33.7Very low101.8 Ų101.8109.8 Ų109.871%0.71260%0.604SS**SBendtrans-130.556.7170.2-160.90000112.5N2281N2281-S2284 PolarHBondContact O-N 2.93Å
2285S29.6Very low33.6Very low98 Ų98111.6 Ų111.669%0.68561%0.613SS**  trans-179.1126.6-176.764.60000113.3N2281 L2283 T2287 I2288N2281-S2285 PolarHBondContact O-OG 3.47Å; L2283-S2285 PolarHBondContact O-N 3Å; S2285-T2287 VanDerWaalsContact C-N 3.3Å; S2285-T2287 PolarHBondContact O-N 3.25Å; S2285-I2288 WeakPolarHBondContact O-CD1 3.34Å
2286G29.2Very low33.4Very low72.4 Ų72.4112.1 Ų112.175%0.74662%0.615SS**SBendtrans137.292.8166.100000113.9
2287T30.3Very low33.3Very low132.2 Ų132.2108.5 Ų108.581%0.81161%0.613SS**  trans-135115.2-179.454.60000112.4S2285 Y2501S2285-T2287 VanDerWaalsContact C-N 3.3Å; S2285-T2287 PolarHBondContact O-N 3.25Å; T2287-Y2501 HydrophobicContact CG2-CE1 4.49Å
2288I34.8Very low33.3Very low115.2 Ų115.2108.4 Ų108.459%0.59161%0.612SS**  trans-105.1128.6165.2-61.9162.5000106.7I2282 L2283 S2285 D2290 L2292 L2293I2282-I2288 HydrophobicContact CB-CG1 4.26Å; I2282-I2288 HydrophobicContact CD1-CG2 4.35Å; I2282-I2288 HydrophobicContact CG1-CG1 4.17Å; I2282-I2288 HydrophobicContact CG1-CG2 4.35Å; I2282-I2288 HydrophobicContact CG2-CB 4.46Å; I2282-I2288 HydrophobicContact CG2-CD1 4.2Å; I2282-I2288 HydrophobicContact CG2-CG1 4Å; I2282-I2288 HydrophobicContact CG2-CG2 4.17Å; L2283-I2288 HydrophobicContact CD2-CD1 4Å; L2283-I2288 HydrophobicContact CD2-CG1 4.31Å; S2285-I2288 WeakPolarHBondContact O-CD1 3.34Å; I2288-D2290 PolarHBondContact O-N 2.93Å; I2288-L2292 HydrophobicContact CG2-CB 4.44Å; I2288-L2292 HydrophobicContact CG2-CD1 4.3Å; I2288-L2293 HydrophobicContact CG2-CD1 4.31Å
2289D37.1Very low33.2Very low106 Ų106109.7 Ų109.757%0.56762%0.619SS**  trans-66.6132.3-176.2-146.4-14.9000112.1K2291 L2292 L2293D2289-K2291 HydrophobicContact CB-CB 4.44Å; D2289-K2291 PolarHBondContact O-N 3.01Å; D2289-K2291 VanDerWaalsContact O-N 3.1Å; D2289-K2291 PolarHBondContact OD1-N 3.13Å; D2289-K2291 VanDerWaalsContact OD1-N 3.08Å; D2289-K2291 IonicContact OD2-NZ 2.75Å; D2289-L2292 WeakPolarHBondContact O-CA 2.97Å; D2289-L2292 VanDerWaalsContact O-CB 3.26Å; D2289-L2292 WeakPolarHBondContact O-CB 3.31Å; D2289-L2292 PolarHBondContact O-N 2.99Å; D2289-L2293 PolarHBondContact O-N 3.13Å
2290D35.3Very low33.2Very low133.4 Ų133.4109.1 Ų109.171%0.71362%0.615SS**Hα-helixtrans-54.1-29.3179.4-70.9-48.7000113.1I2288 L2292 L2293 Q2294I2288-D2290 PolarHBondContact O-N 2.93Å; D2290-L2292 VanDerWaalsContact C-N 3.31Å; D2290-L2292 PolarHBondContact O-N 3.09Å; D2290-L2293 WeakPolarHBondContact O-CB 3.48Å; D2290-L2293 PolarHBondContact O-N 3.21Å; D2290-L2293 VanDerWaalsContact O-N 3.15Å; D2290-Q2294 VanDerWaalsContact O-CB 3.27Å; D2290-Q2294 WeakPolarHBondContact O-CB 3.2Å; D2290-Q2294 PolarHBondContact O-N 3.13Å; D2290-Q2294 VanDerWaalsContact O-N 3.09Å
2291K39.1Very low33.5Very low149.6 Ų149.6108.2 Ų108.265%0.6562%0.621SS**Hα-helixtrans-61.8-32.1175.8-71.7174.3-178161.20112.9D2289 Q2294 C2295D2289-K2291 HydrophobicContact CB-CB 4.44Å; D2289-K2291 PolarHBondContact O-N 3.01Å; D2289-K2291 VanDerWaalsContact O-N 3.1Å; D2289-K2291 PolarHBondContact OD1-N 3.13Å; D2289-K2291 VanDerWaalsContact OD1-N 3.08Å; D2289-K2291 IonicContact OD2-NZ 2.75Å; K2291-Q2294 PolarHBondContact O-N 2.95Å; K2291-C2295 PolarHBondContact O-N 3.01Å; K2291-C2295 PolarHBondContact O-SG 3.08Å; K2291-C2295 VanDerWaalsContact O-SG 3.36Å
2292L35Very low33.7Very low83.8 Ų83.8109.4 Ų109.444%0.43963%0.627SS.*Hα-helixtrans-71.3-41.7-179.8-136.5169.1000110.3I2282 I2288 D2289 D2290 Q2294 C2295 F2296I2282-L2292 HydrophobicContact CD1-CD1 4.06Å; I2288-L2292 HydrophobicContact CG2-CB 4.44Å; I2288-L2292 HydrophobicContact CG2-CD1 4.3Å; D2289-L2292 WeakPolarHBondContact O-CA 2.97Å; D2289-L2292 VanDerWaalsContact O-CB 3.26Å; D2289-L2292 WeakPolarHBondContact O-CB 3.31Å; D2289-L2292 PolarHBondContact O-N 2.99Å; D2290-L2292 VanDerWaalsContact C-N 3.31Å; D2290-L2292 PolarHBondContact O-N 3.09Å; L2292-Q2294 VanDerWaalsContact C-N 3.34Å; L2292-Q2294 PolarHBondContact O-N 3.03Å; L2292-C2295 PolarHBondContact O-N 3.12Å; L2292-F2296 HydrophobicContact CD2-CD2 3.85Å; L2292-F2296 HydrophobicContact CD2-CE2 3.71Å; L2292-F2296 WeakPolarHBondContact O-CD2 3.42Å; L2292-F2296 PolarHBondContact O-N 3.15Å; L2292-F2296 VanDerWaalsContact O-N 3.15Å
2293L38.8Very low33.9Very low113 Ų113110.3 Ų110.359%0.59263%0.633SS**Hα-helixtrans-61-41.7170.9-11771000111.8I2288 D2289 D2290 C2295 F2296 G2297I2288-L2293 HydrophobicContact CG2-CD1 4.31Å; D2289-L2293 PolarHBondContact O-N 3.13Å; D2290-L2293 WeakPolarHBondContact O-CB 3.48Å; D2290-L2293 PolarHBondContact O-N 3.21Å; D2290-L2293 VanDerWaalsContact O-N 3.15Å; L2293-C2295 VanDerWaalsContact C-N 3.3Å; L2293-C2295 PolarHBondContact O-N 3.19Å; L2293-F2296 PolarHBondContact O-N 3.08Å; L2293-G2297 PolarHBondContact O-N 3.22Å
2294Q37.3Very low34.3Very low135 Ų135113 Ų11363%0.63164%0.638SS**Hα-helixtrans-68.5-31.2-179.7-164.8165.665.100113D2290 K2291 L2292 G2297 N2298D2290-Q2294 VanDerWaalsContact O-CB 3.27Å; D2290-Q2294 WeakPolarHBondContact O-CB 3.2Å; D2290-Q2294 PolarHBondContact O-N 3.13Å; D2290-Q2294 VanDerWaalsContact O-N 3.09Å; K2291-Q2294 PolarHBondContact O-N 2.95Å; L2292-Q2294 VanDerWaalsContact C-N 3.34Å; L2292-Q2294 PolarHBondContact O-N 3.03Å; Q2294-G2297 PolarHBondContact O-N 3.44Å; Q2294-N2298 VanDerWaalsContact O-CB 3.29Å; Q2294-N2298 WeakPolarHBondContact O-CB 3.42Å; Q2294-N2298 PolarHBondContact O-N 3.09Å; Q2294-N2298 PolarHBondContact O-ND2 3.16Å; Q2294-N2298 VanDerWaalsContact O-ND2 3.12Å
2295C33.6Very low34.5Very low87.8 Ų87.8112.3 Ų112.359%0.59363%0.634SS**Hα-helixtrans-67.2-44.9170.7-73.30000112.3K2291 L2292 L2293 G2297 N2298 L2299K2291-C2295 PolarHBondContact O-N 3.01Å; K2291-C2295 PolarHBondContact O-SG 3.08Å; K2291-C2295 VanDerWaalsContact O-SG 3.36Å; L2292-C2295 PolarHBondContact O-N 3.12Å; L2293-C2295 VanDerWaalsContact C-N 3.3Å; L2293-C2295 PolarHBondContact O-N 3.19Å; C2295-G2297 PolarHBondContact O-N 3.18Å; C2295-N2298 PolarHBondContact O-N 2.92Å; C2295-L2299 WeakPolarHBondContact O-CB 3.5Å; C2295-L2299 PolarHBondContact O-N 3.07Å; C2295-L2299 VanDerWaalsContact O-N 3.1Å
2296F31.8Very low34.9Very low117.8 Ų117.8110.2 Ų110.252%0.51762%0.619SS.*Hα-helixtrans-65.5-39.3176.3-88.8-78.4000112.7L2292 L2293 N2298 L2299 L2300L2292-F2296 HydrophobicContact CD2-CD2 3.85Å; L2292-F2296 HydrophobicContact CD2-CE2 3.71Å; L2292-F2296 WeakPolarHBondContact O-CD2 3.42Å; L2292-F2296 PolarHBondContact O-N 3.15Å; L2292-F2296 VanDerWaalsContact O-N 3.15Å; L2293-F2296 PolarHBondContact O-N 3.08Å; F2296-N2298 VanDerWaalsContact C-N 3.27Å; F2296-N2298 PolarHBondContact O-N 2.95Å; F2296-L2299 PolarHBondContact O-N 3.29Å; F2296-L2299 VanDerWaalsContact O-N 3.12Å; F2296-L2300 HydrophobicContact CD1-CD1 4.19Å; F2296-L2300 WeakPolarHBondContact O-CB 3.4Å; F2296-L2300 WeakPolarHBondContact O-CD1 3.49Å; F2296-L2300 VanDerWaalsContact O-CG 3.31Å; F2296-L2300 WeakPolarHBondContact O-CG 3.39Å; F2296-L2300 PolarHBondContact O-N 3.14Å; F2296-L2300 VanDerWaalsContact O-N 3.09Å
2297G33.2Very low35.5Very low45.2 Ų45.2111.2 Ų111.247%0.46661%0.612SS.*Hα-helixtrans-59.1-39176.300000113.4L2293 Q2294 C2295 L2299 L2300 A2301L2293-G2297 PolarHBondContact O-N 3.22Å; Q2294-G2297 PolarHBondContact O-N 3.44Å; C2295-G2297 PolarHBondContact O-N 3.18Å; G2297-L2299 VanDerWaalsContact C-N 3.33Å; G2297-L2299 PolarHBondContact O-N 2.99Å; G2297-L2300 PolarHBondContact O-N 2.87Å; G2297-A2301 WeakPolarHBondContact O-CB 3.42Å; G2297-A2301 PolarHBondContact O-N 3.3Å
2298N35.2Very low35.8Very low115 Ų115111.4 Ų111.462%0.61560%0.604SS**Hα-helixtrans-75.8-29.2178-73.6-35.4000113.4Q2294 C2295 F2296 L2300Q2294-N2298 VanDerWaalsContact O-CB 3.29Å; Q2294-N2298 WeakPolarHBondContact O-CB 3.42Å; Q2294-N2298 PolarHBondContact O-N 3.09Å; Q2294-N2298 PolarHBondContact O-ND2 3.16Å; Q2294-N2298 VanDerWaalsContact O-ND2 3.12Å; C2295-N2298 PolarHBondContact O-N 2.92Å; F2296-N2298 VanDerWaalsContact C-N 3.27Å; F2296-N2298 PolarHBondContact O-N 2.95Å; N2298-L2300 VanDerWaalsContact C-N 3.29Å; N2298-L2300 PolarHBondContact O-N 3.23Å
2299L33.4Very low35.9Very low128.2 Ų128.2109.9 Ų109.967%0.67160%0.597SS**Hα-helixtrans-75.3-33.7178.8-16169.7000112.1C2295 F2296 G2297 A2301C2295-L2299 WeakPolarHBondContact O-CB 3.5Å; C2295-L2299 PolarHBondContact O-N 3.07Å; C2295-L2299 VanDerWaalsContact O-N 3.1Å; F2296-L2299 PolarHBondContact O-N 3.29Å; F2296-L2299 VanDerWaalsContact O-N 3.12Å; G2297-L2299 VanDerWaalsContact C-N 3.33Å; G2297-L2299 PolarHBondContact O-N 2.99Å; L2299-A2301 VanDerWaalsContact C-N 3.3Å; L2299-A2301 PolarHBondContact O-N 3.1Å
2300L35.1Very low35.9Very low88.4 Ų88.4112.8 Ų112.846%0.46360%0.601SS.*THydrogen-bonded Turntrans-85.7-4.9-178.9-68.6167.9000114.3F2296 G2297 N2298 N2302 L2309 L2313F2296-L2300 HydrophobicContact CD1-CD1 4.19Å; F2296-L2300 WeakPolarHBondContact O-CB 3.4Å; F2296-L2300 WeakPolarHBondContact O-CD1 3.49Å; F2296-L2300 VanDerWaalsContact O-CG 3.31Å; F2296-L2300 WeakPolarHBondContact O-CG 3.39Å; F2296-L2300 PolarHBondContact O-N 3.14Å; F2296-L2300 VanDerWaalsContact O-N 3.09Å; G2297-L2300 PolarHBondContact O-N 2.87Å; N2298-L2300 VanDerWaalsContact C-N 3.29Å; N2298-L2300 PolarHBondContact O-N 3.23Å; L2300-N2302 VanDerWaalsContact C-N 3.3Å; L2300-N2302 PolarHBondContact O-N 3.23Å; L2300-L2309 HydrophobicContact CD2-CD2 3.8Å; L2300-L2313 HydrophobicContact CD1-CD1 3.8Å; L2300-L2313 HydrophobicContact CD1-CD2 4.25Å; L2300-L2313 HydrophobicContact CD1-CG 4.39Å; L2300-L2313 HydrophobicContact CD2-CD1 3.65Å; L2300-L2313 VanDerWaalsContact CD2-CD1 3.41Å; L2300-L2313 HydrophobicContact CG-CD1 4.17Å
2301A36.3Very low36.2Very low73.4 Ų73.4111.8 Ų111.861%0.60759%0.592SS**THydrogen-bonded Turntrans-75.9-13.7-177.300000114.9G2297 L2299G2297-A2301 WeakPolarHBondContact O-CB 3.42Å; G2297-A2301 PolarHBondContact O-N 3.3Å; L2299-A2301 VanDerWaalsContact C-N 3.3Å; L2299-A2301 PolarHBondContact O-N 3.1Å
2302N35.7Very low36Very low145.6 Ų145.6109.1 Ų109.178%0.77958%0.584SS**SBendtrans-106.3-13.2-166.9-79.2-34.6000116L2300L2300-N2302 VanDerWaalsContact C-N 3.3Å; L2300-N2302 PolarHBondContact O-N 3.23Å
2303D34.5Very low35.9Very low122 Ų122108.8 Ų108.865%0.65258%0.583SS**  trans-107.7130.1-178.8-142.4-42.2000112.1S2305D2303-S2305 VanDerWaalsContact C-N 3.33Å; D2303-S2305 VanDerWaalsContact CG-OG 3.32Å; D2303-S2305 PolarHBondContact O-N 2.9Å; D2303-S2305 WeakPolarHBondContact OD1-CB 3.29Å; D2303-S2305 PolarHBondContact OD1-N 3.16Å; D2303-S2305 PolarHBondContact OD1-OG 3.14Å
2304K35.9Very low35.8Very low208.8 Ų208.8112.5 Ų112.591%0.90859%0.589SS**  trans-105.315.7-173.1-66.2-177.6178.3176.30113.3
2305S33.8Very low35.6Very low88.4 Ų88.4114.4 Ų114.462%0.61859%0.59SS**SBendtrans-106.2-4.1-161.356.10000116.2D2303D2303-S2305 VanDerWaalsContact C-N 3.33Å; D2303-S2305 VanDerWaalsContact CG-OG 3.32Å; D2303-S2305 PolarHBondContact O-N 2.9Å; D2303-S2305 WeakPolarHBondContact OD1-CB 3.29Å; D2303-S2305 PolarHBondContact OD1-N 3.16Å; D2303-S2305 PolarHBondContact OD1-OG 3.14Å
2306S38.1Very low35.6Very low53 Ų53115.7 Ų115.737%0.37159%0.59SS.*  trans-143.3100.6178.350.80000114.1E2308 L2309 Y2310S2306-E2308 VanDerWaalsContact C-N 3.34Å; S2306-E2308 PolarHBondContact O-N 3.02Å; S2306-L2309 PolarHBondContact O-N 3.03Å; S2306-L2309 WeakPolarHBondContact OG-CB 3.47Å; S2306-Y2310 PolarHBondContact O-N 3.45Å
2307P40.9Very low35.6Very low93 Ų93113.1 Ų113.160%0.60459%0.59SS**Hα-helixtrans-68.9-22.4173.929.1-34.6000112.9L2309 Y2310 Q2311P2307-L2309 VanDerWaalsContact C-N 3.33Å; P2307-L2309 PolarHBondContact O-N 2.91Å; P2307-Y2310 PolarHBondContact O-N 2.94Å; P2307-Q2311 VanDerWaalsContact O-CB 3.31Å; P2307-Q2311 WeakPolarHBondContact O-CB 3.29Å; P2307-Q2311 WeakPolarHBondContact O-CG 3.45Å; P2307-Q2311 PolarHBondContact O-N 2.92Å; P2307-Q2311 VanDerWaalsContact O-N 3.14Å
2308E37.2Very low35.5Very low137 Ų137116.3 Ų116.364%0.6460%0.603SS**Hα-helixtrans-67.4-41.1178.6-63.6141.3168.500111.9S2306 Y2310 Q2311 L2312 N2402S2306-E2308 VanDerWaalsContact C-N 3.34Å; S2306-E2308 PolarHBondContact O-N 3.02Å; E2308-Y2310 VanDerWaalsContact C-N 3.27Å; E2308-Y2310 PolarHBondContact O-N 3.07Å; E2308-Q2311 CarbonylContact O-C 3.51Å; E2308-Q2311 WeakPolarHBondContact O-CA 3.16Å; E2308-Q2311 WeakPolarHBondContact O-CB 3.34Å; E2308-Q2311 PolarHBondContact O-N 3.19Å; E2308-Q2311 VanDerWaalsContact O-N 3.08Å; E2308-L2312 WeakPolarHBondContact O-CB 3.42Å; E2308-L2312 PolarHBondContact O-N 3.05Å; E2308-N2402 PolarHBondContact OE2-ND2 3.39Å
2309L36.3Very low35.3Very low83 Ų83118.3 Ų118.344%0.43561%0.609SS.*Hα-helixtrans-65.8-36.9179.9-153.6142.4000111L2300 S2306 P2307 Q2311 L2312 L2313L2300-L2309 HydrophobicContact CD2-CD2 3.8Å; S2306-L2309 PolarHBondContact O-N 3.03Å; S2306-L2309 WeakPolarHBondContact OG-CB 3.47Å; P2307-L2309 VanDerWaalsContact C-N 3.33Å; P2307-L2309 PolarHBondContact O-N 2.91Å; L2309-Q2311 VanDerWaalsContact C-N 3.31Å; L2309-Q2311 PolarHBondContact O-N 2.85Å; L2309-L2312 WeakPolarHBondContact O-CB 3.09Å; L2309-L2312 PolarHBondContact O-N 3.23Å; L2309-L2312 VanDerWaalsContact O-N 3.08Å; L2309-L2313 HydrophobicContact CD2-CD1 3.71Å; L2309-L2313 HydrophobicContact CD2-CG 4.18Å; L2309-L2313 HydrophobicContact CG-CD1 4.32Å; L2309-L2313 WeakPolarHBondContact O-CB 3.23Å; L2309-L2313 WeakPolarHBondContact O-CG 3.18Å; L2309-L2313 PolarHBondContact O-N 3.11Å
2310Y37.4Very low35Very low166.8 Ų166.8119.1 Ų119.165%0.65461%0.614SS**Hα-helixtrans-65.5-37.7172.4-164.4-95000112.4S2306 P2307 E2308 L2312 R2314S2306-Y2310 PolarHBondContact O-N 3.45Å; P2307-Y2310 PolarHBondContact O-N 2.94Å; E2308-Y2310 VanDerWaalsContact C-N 3.27Å; E2308-Y2310 PolarHBondContact O-N 3.07Å; Y2310-L2312 VanDerWaalsContact C-N 3.33Å; Y2310-L2312 PolarHBondContact O-N 3.12Å; Y2310-R2314 WeakPolarHBondContact O-CB 3.33Å; Y2310-R2314 PolarHBondContact O-N 3.09Å; Y2310-R2314 VanDerWaalsContact O-N 3.12Å
2311Q41.8Very low34.7Very low112.8 Ų112.8122 Ų12253%0.52763%0.629SS.*Hα-helixtrans-69.5-33.2172.4-75.7-167.93300113.1P2307 E2308 L2309 R2314 R2315P2307-Q2311 VanDerWaalsContact O-CB 3.31Å; P2307-Q2311 WeakPolarHBondContact O-CB 3.29Å; P2307-Q2311 WeakPolarHBondContact O-CG 3.45Å; P2307-Q2311 PolarHBondContact O-N 2.92Å; P2307-Q2311 VanDerWaalsContact O-N 3.14Å; E2308-Q2311 CarbonylContact O-C 3.51Å; E2308-Q2311 WeakPolarHBondContact O-CA 3.16Å; E2308-Q2311 WeakPolarHBondContact O-CB 3.34Å; E2308-Q2311 PolarHBondContact O-N 3.19Å; E2308-Q2311 VanDerWaalsContact O-N 3.08Å; L2309-Q2311 VanDerWaalsContact C-N 3.31Å; L2309-Q2311 PolarHBondContact O-N 2.85Å; Q2311-R2314 WeakPolarHBondContact O-CB 3.29Å; Q2311-R2314 PolarHBondContact O-N 3.13Å; Q2311-R2314 VanDerWaalsContact O-N 3.1Å; Q2311-R2315 WeakPolarHBondContact O-CD 3.39Å; Q2311-R2315 WeakPolarHBondContact O-CG 3.18Å; Q2311-R2315 PolarHBondContact O-N 2.95Å; Q2311-R2315 VanDerWaalsContact O-N 3.08Å; Q2311-R2315 PolarHBondContact O-NH1 3.46Å; Q2311-R2315 VanDerWaalsContact OE1-NH1 3.16Å
2312L35.2Very low34.3Very low93.8 Ų93.8126.1 Ų126.149%0.49164%0.64SS.*Hα-helixtrans-71.2-44.6179.7-156158000110.5E2308 L2309 Y2310 R2314 R2315 I2316E2308-L2312 WeakPolarHBondContact O-CB 3.42Å; E2308-L2312 PolarHBondContact O-N 3.05Å; L2309-L2312 WeakPolarHBondContact O-CB 3.09Å; L2309-L2312 PolarHBondContact O-N 3.23Å; L2309-L2312 VanDerWaalsContact O-N 3.08Å; Y2310-L2312 VanDerWaalsContact C-N 3.33Å; Y2310-L2312 PolarHBondContact O-N 3.12Å; L2312-R2314 VanDerWaalsContact C-N 3.31Å; L2312-R2314 PolarHBondContact O-N 3Å; L2312-R2315 WeakPolarHBondContact O-CB 3.37Å; L2312-R2315 PolarHBondContact O-N 3.03Å; L2312-R2315 VanDerWaalsContact O-N 3.12Å; L2312-I2316 HydrophobicContact CD2-CD1 3.69Å; L2312-I2316 HydrophobicContact CD2-CG1 4.48Å; L2312-I2316 WeakPolarHBondContact O-CG1 3.4Å; L2312-I2316 PolarHBondContact O-N 3.08Å
2313L32.1Very low33.9Very low77.8 Ų77.8128.9 Ų128.941%0.40764%0.642SS.*Hα-helixtrans-62.9-37.9171.8-76.8161.6000112.6L2300 L2309 R2315 I2316 A2317L2300-L2313 HydrophobicContact CD1-CD1 3.8Å; L2300-L2313 HydrophobicContact CD1-CD2 4.25Å; L2300-L2313 HydrophobicContact CD1-CG 4.39Å; L2300-L2313 HydrophobicContact CD2-CD1 3.65Å; L2300-L2313 VanDerWaalsContact CD2-CD1 3.41Å; L2300-L2313 HydrophobicContact CG-CD1 4.17Å; L2309-L2313 HydrophobicContact CD2-CD1 3.71Å; L2309-L2313 HydrophobicContact CD2-CG 4.18Å; L2309-L2313 HydrophobicContact CG-CD1 4.32Å; L2309-L2313 WeakPolarHBondContact O-CB 3.23Å; L2309-L2313 WeakPolarHBondContact O-CG 3.18Å; L2309-L2313 PolarHBondContact O-N 3.11Å; L2313-R2315 VanDerWaalsContact C-N 3.33Å; L2313-R2315 PolarHBondContact O-N 3.11Å; L2313-R2315 VanDerWaalsContact O-N 3.11Å; L2313-I2316 PolarHBondContact O-N 2.87Å; L2313-A2317 PolarHBondContact O-N 3.06Å; L2313-A2317 VanDerWaalsContact O-N 3.07Å
2314R36.3Very low33.5Very low190.2 Ų190.2130.4 Ų130.472%0.71865%0.649SS**Hα-helixtrans-68-15.5175.9-158.2177.5-146.2-1593.1113.8Y2310 Q2311 L2312Y2310-R2314 WeakPolarHBondContact O-CB 3.33Å; Y2310-R2314 PolarHBondContact O-N 3.09Å; Y2310-R2314 VanDerWaalsContact O-N 3.12Å; Q2311-R2314 WeakPolarHBondContact O-CB 3.29Å; Q2311-R2314 PolarHBondContact O-N 3.13Å; Q2311-R2314 VanDerWaalsContact O-N 3.1Å; L2312-R2314 VanDerWaalsContact C-N 3.31Å; L2312-R2314 PolarHBondContact O-N 3Å
2315R34.9Very low33.1Very low174.4 Ų174.4127.4 Ų127.466%0.65864%0.643SS**THydrogen-bonded Turntrans-87.4-16171.9-84.1177.2163.1118-14.4113.9Q2311 L2312 L2313 E2661Q2311-R2315 WeakPolarHBondContact O-CD 3.39Å; Q2311-R2315 WeakPolarHBondContact O-CG 3.18Å; Q2311-R2315 PolarHBondContact O-N 2.95Å; Q2311-R2315 VanDerWaalsContact O-N 3.08Å; Q2311-R2315 PolarHBondContact O-NH1 3.46Å; Q2311-R2315 VanDerWaalsContact OE1-NH1 3.16Å; L2312-R2315 WeakPolarHBondContact O-CB 3.37Å; L2312-R2315 PolarHBondContact O-N 3.03Å; L2312-R2315 VanDerWaalsContact O-N 3.12Å; L2313-R2315 VanDerWaalsContact C-N 3.33Å; L2313-R2315 PolarHBondContact O-N 3.11Å; L2313-R2315 VanDerWaalsContact O-N 3.11Å; R2315-E2661 VanDerWaalsContact CZ-CD 3.4Å; R2315-E2661 IonicContact CZ-OE1 2.76Å; R2315-E2661 VanDerWaalsContact CZ-OE1 3.3Å; R2315-E2661 IonicContact CZ-OE2 2.76Å; R2315-E2661 IonicContact NE-OE1 2.59Å; R2315-E2661 PolarHBondContact NE-OE1 3.44Å; R2315-E2661 IonicContact NE-OE2 2.77Å; R2315-E2661 PolarHBondContact NE-OE2 2.64Å; R2315-E2661 VanDerWaalsContact NH2-CG 3.29Å; R2315-E2661 IonicContact NH2-OE1 2.61Å; R2315-E2661 PolarHBondContact NH2-OE1 2.84Å; R2315-E2661 IonicContact NH2-OE2 3.91Å; R2315-E2661 PolarHBondContact NH2-OE2 3.04Å
2316I33.4Very low32.7Very low114.6 Ų114.6130.4 Ų130.459%0.58865%0.651SS**THydrogen-bonded Turntrans-96.4-21.8-173.4-68.9171.5000112.6L2283 L2312 L2313 P2318L2283-I2316 HydrophobicContact CD1-CG2 4.05Å; L2312-I2316 HydrophobicContact CD2-CD1 3.69Å; L2312-I2316 HydrophobicContact CD2-CG1 4.48Å; L2312-I2316 WeakPolarHBondContact O-CG1 3.4Å; L2312-I2316 PolarHBondContact O-N 3.08Å; L2313-I2316 PolarHBondContact O-N 2.87Å; I2316-P2318 VanDerWaalsContact O-CD 3.31Å; I2316-P2318 WeakPolarHBondContact O-CD 3.41Å
2317A30.9Very low32.1Very low63.6 Ų63.6135.2 Ų135.253%0.52667%0.672SS.*SBendtrans-86.4118.4177.500000112.6L2313 Q2319L2313-A2317 PolarHBondContact O-N 3.06Å; L2313-A2317 VanDerWaalsContact O-N 3.07Å; A2317-Q2319 PolarHBondContact O-N 2.93Å
2318P31.9Very low31.4Very low112.2 Ų112.2139.7 Ų139.773%0.72968%0.683SS**  trans-75.8115.1173.631.3-33.9000111.3I2316 D2320I2316-P2318 VanDerWaalsContact O-CD 3.31Å; I2316-P2318 WeakPolarHBondContact O-CD 3.41Å; P2318-D2320 PolarHBondContact O-N 2.98Å
2319Q29.9Very low30.9Very low157.8 Ų157.8138.5 Ų138.574%0.73769%0.688SS**SBendtrans-101.998.9173.2-82176.8-4.500111.2R1811 A2317R1811-Q2319 VanDerWaalsContact CZ-O 3.26Å; R1811-Q2319 PolarHBondContact NE-O 3.01Å; R1811-Q2319 PolarHBondContact NH1-O 3.31Å; A2317-Q2319 PolarHBondContact O-N 2.93Å
2320D28.7Very low30.4Very low144.6 Ų144.6140.7 Ų140.777%0.77371%0.705SS**  trans-113.586.7165.8-87.3-40.4000110.9R1811 P2318 D2322R1811-D2320 IonicContact CZ-OD1 3.38Å; R1811-D2320 IonicContact NH1-OD1 3.7Å; R1811-D2320 PolarHBondContact NH1-OD1 3.06Å; P2318-D2320 PolarHBondContact O-N 2.98Å; D2320-D2322 VanDerWaalsContact C-N 3.27Å; D2320-D2322 PolarHBondContact O-N 3.27Å
2321L27.9Very low29.9Very low149.2 Ų149.2138.1 Ų138.178%0.78171%0.711SS**  trans-118.878.3177.5-141.682.1000112Y2323L2321-Y2323 VanDerWaalsContact C-N 3.33Å; L2321-Y2323 PolarHBondContact O-N 3.48Å
2322D27.3Very low29.2Very low159.4 Ų159.4144 Ų14485%0.85273%0.729SS**  trans-115.1115.3143.8-107.7-24.3000112.1D2320D2320-D2322 VanDerWaalsContact C-N 3.27Å; D2320-D2322 PolarHBondContact O-N 3.27Å
2323Y27.3Very low28.8Very low205 Ų205144.5 Ų144.580%0.80474%0.74SS**  trans-124135.5165.5-114.3-92.5000113L2321 L2325L2321-Y2323 VanDerWaalsContact C-N 3.33Å; L2321-Y2323 PolarHBondContact O-N 3.48Å; Y2323-L2325 HydrophobicContact CD1-CD1 3.6Å; Y2323-L2325 HydrophobicContact CE1-CD1 3.91Å; Y2323-L2325 PolarHBondContact O-N 2.91Å
2324D26.7Very low28.6Very low152.8 Ų152.8148 Ų14882%0.81776%0.756SS**  trans-76111.6163.7-97.2-44.5000113.7
2325L26.6Very low28.2Very low147 Ų147145.3 Ų145.377%0.7776%0.756SS**  trans-136.8103.7159.7-93.6152.9000114.1Y2323Y2323-L2325 HydrophobicContact CD1-CD1 3.6Å; Y2323-L2325 HydrophobicContact CE1-CD1 3.91Å; Y2323-L2325 PolarHBondContact O-N 2.91Å
2326L25.4Very low27.8Very low150.8 Ų150.8141.4 Ų141.479%0.7976%0.756SS**  trans7781.8142.9-149.873.8000116.9K2328L2326-K2328 PolarHBondContact O-N 3.49Å
2327N26.7Very low27.5Very low152.6 Ų152.6142.1 Ų142.182%0.81676%0.759SS**  trans-10774.5154.6-100.9-35.1000113.7
2328K25.9Very low27.5Very low188.8 Ų188.8147.2 Ų147.282%0.82177%0.772SS**  trans-13975.4157.7-129.7174.6-176.7174.40113.1L2326L2326-K2328 PolarHBondContact O-N 3.49Å
2329C26.6Very low27.2Very low111.2 Ų111.2147.1 Ų147.175%0.75177%0.774SS**  trans-158.6102.1154.9-87.50000113.9
2330T26Very low27.2Very low129.6 Ų129.6142.8 Ų142.880%0.79577%0.771SS**  trans52.7134.5155.463.20000116.8
2331S27.4Very low27.2Very low112.6 Ų112.6144.4 Ų144.479%0.78777%0.774SS**  80.7146.198.168.60000116.4
2332R26.1Very low27.3Very low236.2 Ų236.2144.8 Ų144.889%0.89177%0.772SS**  -135.3152.9128.4-124.1170.7177.1-174.2-2.6110.7M2334R2332-M2334 HydrophobicContact CG-CG 3.95Å; R2332-M2334 HydrophobicContact CG-SD 3.71Å; R2332-M2334 PolarHBondContact NE-SD 3.1Å
2333S27Very low27.3Very low104.8 Ų104.8143.9 Ų143.973%0.73376%0.763SS**  trans-164128.2130.9-166.20000110.4
2334M27.2Very low27.6Very low151.2 Ų151.2140.3 Ų140.375%0.74575%0.753SS**  84.7120.2106-76.2175124.700114.5R2332R2332-M2334 HydrophobicContact CG-CG 3.95Å; R2332-M2334 HydrophobicContact CG-SD 3.71Å; R2332-M2334 PolarHBondContact NE-SD 3.1Å
2335D27.9Very low27.8Very low132.4 Ų132.4140.3 Ų140.371%0.70875%0.748SS**  -150.8156.379.8-90.6-48.7000112.5I2337D2335-I2337 PolarHBondContact OD1-N 3.04Å
2336S27.3Very low27.9Very low93.4 Ų93.4137.6 Ų137.665%0.65374%0.741SS**  cis-174.3155.321.2-164.80000111.4E1715E1715-S2336 VanDerWaalsContact OE1-CB 3.31Å; E1715-S2336 WeakPolarHBondContact OE1-CB 3.2Å; E1715-S2336 PolarHBondContact OE1-OG 2.69Å
2337I27.4Very low28.1Very low128 Ų128138.8 Ų138.866%0.65674%0.74SS**  trans113.5124.3144.4-77.9170.9000114.7D2335D2335-I2337 PolarHBondContact OD1-N 3.04Å
2338H29.6Very low28.2Very low172.6 Ų172.6138.4 Ų138.480%0.79973%0.733SS**  trans59.6141.4157.2-65.4-38.4000120.7
2339S27Very low28.3Very low109.6 Ų109.6135 Ų13577%0.76673%0.729SS**  cis150.2148.13.457.90000113.4
2340G29.8Very low28.3Very low66.2 Ų66.2137 Ų13768%0.68273%0.728SS**  trans147158.5157.400000112.7
2341E28.4Very low28.3Very low178.4 Ų178.4136.1 Ų136.183%0.83472%0.719SS**  98.7144104.1-71.6166.2179.500112.2
2342E29.3Very low28.2Very low157.4 Ų157.4136.6 Ų136.674%0.73671%0.713SS**  170.1171.167.5-89.6176.917900115.3T2518 K2520E2342-T2518 WeakPolarHBondContact O-CB 3.47Å; E2342-T2518 WeakPolarHBondContact O-CG2 3.37Å; E2342-K2520 IonicContact OE1-NZ 2.68Å; E2342-K2520 PolarHBondContact OE1-NZ 3.1Å
2343E28.1Very low28.2Very low142 Ų142135.3 Ų135.366%0.66471%0.709SS**  -124.9178.5-119.5-101.4-166.9165.500114.6T2518 N2519 K2520E2343-T2518 HydrophobicContact CB-CG2 4.39Å; E2343-T2518 HydrophobicContact CG-CG2 4.26Å; E2343-N2519 WeakPolarHBondContact O-CA 3.33Å; E2343-N2519 PolarHBondContact O-N 2.78Å; E2343-K2520 WeakPolarHBondContact O-CB 3.35Å
2344H32.7Very low28.2Very low127.8 Ų127.8138.7 Ų138.759%0.59271%0.713SS**  trans81.5149.3154.8-63.3-45.7000121.2N2519 K2520H2344-N2519 CarbonylContact C-O 3.51Å; H2344-K2520 HydrophobicContact CB-CB 4.42Å
2345H31.6Very low28.2Very low154 Ų154135.7 Ų135.771%0.71371%0.708SS**  161.1124.3124-94.9-30.6000115.9N2519H2345-N2519 PolarHBondContact N-O 3.41Å
2346S29.3Very low28.2Very low89.8 Ų89.8137.6 Ų137.663%0.62871%0.712SS**  75.2147.7105.368.50000119.4
2347K29.8Very low28.3Very low176.4 Ų176.4139.6 Ų139.677%0.76772%0.715SS**  99.9151127.1-96.8169.9170.2-137.90119.3
2348E28.6Very low28.4Very low145 Ų145138 Ų13868%0.67871%0.712SS**  trans104.9143.4148.6-82.3159-162.700118
2349T28Very low28.4Very low117.4 Ų117.4138.1 Ų138.172%0.7271%0.71SS**  trans72.9145.1131.147.90000120.2
2350M24.8Very low28.4Very low152.2 Ų152.2143.3 Ų143.375%0.7571%0.713SS**  115.4146.799.1-94.4-178.7128.800118.1
2351N27Very low28.3Very low111.2 Ų111.2146.3 Ų146.360%0.59571%0.712SS**  trans75.7110.3134.9-67.4-8.2000122.1
2352N25.3Very low28.3Very low122.4 Ų122.4144.4 Ų144.466%0.65571%0.708SS**  68.5133.7120.4-61.4-8.6000121.2
2353Y26.4Very low28.2Very low209.2 Ų209.2141.4 Ų141.482%0.8270%0.704SS**  trans100.2144130.1-82.4-82.6000115.6
2354Q26.7Very low28.2Very low175.4 Ų175.4141.8 Ų141.882%0.8271%0.709SS**  trans-157.1158.7163-86.3177.2-17.200113.6
2355S27.6Very low27.9Very low89.8 Ų89.8142.4 Ų142.463%0.62872%0.715SS**  trans110.3145.3177.2-155.30000112.2
2356E28.1Very low27.8Very low171.8 Ų171.8142.1 Ų142.180%0.80372%0.718SS**  55.4155121.8-74.8167.8151.100115.5
2357D29.1Very low27.7Very low134.4 Ų134.4144 Ų14472%0.71972%0.721SS**  166.7157.592.9-139.72.3000113.7K2359D2357-K2359 WeakPolarHBondContact OD1-CE 3.24Å; D2357-K2359 IonicContact OD1-NZ 2.96Å; D2357-K2359 PolarHBondContact OD1-NZ 2.94Å; D2357-K2359 IonicContact OD2-NZ 2.6Å; D2357-K2359 PolarHBondContact OD2-NZ 2.97Å
2358T30Very low27.6Very low95.4 Ų95.4141.6 Ų141.659%0.58572%0.721SS**  trans101.5117.1157.669.70000118.9
2359K29.3Very low27.6Very low173.6 Ų173.6138 Ų13876%0.75572%0.723SS**  70.5123.2120.1-62.3161.6-171.8154.20117.6D2357D2357-K2359 WeakPolarHBondContact OD1-CE 3.24Å; D2357-K2359 IonicContact OD1-NZ 2.96Å; D2357-K2359 PolarHBondContact OD1-NZ 2.94Å; D2357-K2359 IonicContact OD2-NZ 2.6Å; D2357-K2359 PolarHBondContact OD2-NZ 2.97Å
2360R26.8Very low27.5Very low220 Ų220141.4 Ų141.483%0.8373%0.731SS**  -179.1143.979.8-120.1-179.7174.9166.9-0.4108.8
2361I28.3Very low27.7Very low128.8 Ų128.8141.5 Ų141.566%0.66173%0.733SS**  84.4129.783.1-68.7174.2000113.9
2362D27.6Very low27.6Very low138.8 Ų138.8143.1 Ų143.174%0.74274%0.741SS**  trans84.9129150.9-64.3-32.3000114.1
2363S27Very low27.6Very low93.8 Ų93.8143.8 Ų143.866%0.65674%0.744SS**  115.4145.275.377.50000113
2364I27.9Very low27.6Very low151.6 Ų151.6140.1 Ų140.178%0.77774%0.743SS**  110.9127.7126.7-62.8168.2000112.5L2366I2364-L2366 HydrophobicContact CG2-CG 4.47Å
2365I26.2Very low27.6Very low139 Ų139139.2 Ų139.271%0.71374%0.739SS**  cis108.6132.338.1-69.9171.6000112.6
2366L29.4Very low27.8Very low148.4 Ų148.4140.7 Ų140.778%0.77775%0.746SS**  trans120.9136.3156.2-66.9179.7000113.7I2364I2364-L2366 HydrophobicContact CG2-CG 4.47Å
2367D27.5Very low27.7Very low128.8 Ų128.8139.6 Ų139.669%0.68974%0.741SS**  cis-164161.68.7-132-25.9000115N2765D2367-N2765 PolarHBondContact O-OD1 3.44Å
2368T28.9Very low27.5Very low126.2 Ų126.2140 Ų14077%0.77474%0.742SS**  trans-73.2134.4172.854.70000115.3
2369G28.5Very low27.4Very low69.4 Ų69.4140.6 Ų140.672%0.71575%0.75SS**  trans-150.8147.9171.500000113.3N2765G2369-N2765 PolarHBondContact N-ND2 2.64Å
2370E26.2Very low27.3Very low188.4 Ų188.4141.8 Ų141.888%0.8875%0.751SS**  trans-44.6155.1158.4-88.1176.3149.500112.8
2371I28.1Very low27.4Very low154.4 Ų154.4139 Ų13979%0.79275%0.75SS**  trans158.2113145.4-61168.2000113.1I2373I2371-I2373 HydrophobicContact CG2-CB 4.2Å; I2371-I2373 HydrophobicContact CG2-CD1 4.19Å
2372D24.7Very low27.3Very low145.6 Ų145.6138.4 Ų138.478%0.77975%0.749SS**  -82.6151128.1-154.98.6000116.9
2373I26.1Very low27.4Very low136.8 Ų136.8140 Ų14070%0.70275%0.751SS**  trans76.3127.2168-45.3165.7000117.4I2371I2371-I2373 HydrophobicContact CG2-CB 4.2Å; I2371-I2373 HydrophobicContact CG2-CD1 4.19Å
2374T26.1Very low27.4Very low131.4 Ų131.4140.2 Ų140.281%0.80675%0.753SS**  trans123.7146.8146.546.10000118.6
2375E26.1Very low27.5Very low156.4 Ų156.4140.7 Ų140.773%0.73176%0.757SS**  trans-62.7162.9164.8-52.2-179.2132.300114.5H2377E2375-H2377 VanDerWaalsContact CD-CE1 3.44Å; E2375-H2377 IonicContact OE1-CE1 2.75Å; E2375-H2377 PolarHBondContact OE1-CE1 3Å; E2375-H2377 IonicContact OE1-CG 3.2Å; E2375-H2377 IonicContact OE1-ND1 3.47Å; E2375-H2377 PolarHBondContact OE1-ND1 3.13Å; E2375-H2377 IonicContact OE2-CD2 3.33Å; E2375-H2377 IonicContact OE2-CE1 3.12Å; E2375-H2377 PolarHBondContact OE2-CE1 3.04Å; E2375-H2377 IonicContact OE2-ND1 2.7Å; E2375-H2377 PolarHBondContact OE2-ND1 2.89Å; E2375-H2377 IonicContact OE2-NE2 2.68Å
2376P31.7Very low27.8Very low121.4 Ų121.4139.1 Ų139.179%0.78876%0.756SS**  -119135.9110.227.2-13.6000113.3
2377H26.3Very low27.7Very low150 Ų150141 Ų14169%0.69476%0.761SS**  trans11.8143141-91.1-35.5000116.4E2375E2375-H2377 VanDerWaalsContact CD-CE1 3.44Å; E2375-H2377 IonicContact OE1-CE1 2.75Å; E2375-H2377 PolarHBondContact OE1-CE1 3Å; E2375-H2377 IonicContact OE1-CG 3.2Å; E2375-H2377 IonicContact OE1-ND1 3.47Å; E2375-H2377 PolarHBondContact OE1-ND1 3.13Å; E2375-H2377 IonicContact OE2-CD2 3.33Å; E2375-H2377 IonicContact OE2-CE1 3.12Å; E2375-H2377 PolarHBondContact OE2-CE1 3.04Å; E2375-H2377 IonicContact OE2-ND1 2.7Å; E2375-H2377 PolarHBondContact OE2-ND1 2.89Å; E2375-H2377 IonicContact OE2-NE2 2.68Å
2378I25.6Very low27.8Very low142.8 Ų142.8139.3 Ų139.373%0.73277%0.765SS**  trans79.6128.4133.3-62.9162.9000114.9Y2380I2378-Y2380 HydrophobicContact CG2-CD2 3.81Å; I2378-Y2380 HydrophobicContact CG2-CE2 3.81Å; I2378-Y2380 HydrophobicContact CG2-CG 4.44Å
2379S27.2Very low27.8Very low107.6 Ų107.6139.3 Ų139.375%0.75277%0.77SS**  -160.4135.287.538.60000110.9
2380Y26.4Very low27.8Very low197.8 Ų197.8139.6 Ų139.678%0.77677%0.773SS**  trans-80.4135.2141.6-97.2-95.7000110.6I2378 D2382I2378-Y2380 HydrophobicContact CG2-CD2 3.81Å; I2378-Y2380 HydrophobicContact CG2-CE2 3.81Å; I2378-Y2380 HydrophobicContact CG2-CG 4.44Å; Y2380-D2382 HydrophobicContact CD1-CB 4.17Å; Y2380-D2382 HydrophobicContact CE1-CB 4.21Å
2381I29.3Very low28Very low160.6 Ų160.6140 Ų14082%0.82478%0.775SS**  trans-142.1114.6142-66.6177.6000106
2382D25.8Very low28Very low116.4 Ų116.4137.4 Ų137.462%0.62277%0.771SS**  trans-123.8132.7157.8-159.8-5000108.2Y2380Y2380-D2382 HydrophobicContact CD1-CB 4.17Å; Y2380-D2382 HydrophobicContact CE1-CB 4.21Å
2383H31.4Very low28.3Very low172.2 Ų172.2137.8 Ų137.880%0.79777%0.773SS**  trans-158.7106.3160.5-78.1-34.6000113.9
2384S27Very low28.4Very low99.8 Ų99.8135.6 Ų135.670%0.69878%0.775SS**  trans-43.3134.6154.253.60000116.1
2385N28.7Very low28.7Very low161.4 Ų161.4135 Ų13586%0.86377%0.774SS**  trans-169.1146.1133.2-97.4-19.2000113.1
2386P33.1Very low28.8Very low106 Ų106130.7 Ų130.769%0.68877%0.771SS**  trans-103-178.5-175.739.1-32.5000113.9
2387E27Very low28.6Very low187.2 Ų187.2132.1 Ų132.188%0.87577%0.771SS**  trans94.2134.1156.6-69.1-177.9-172.300118.4
2388A30.3Very low28.7Very low93.8 Ų93.8127.8 Ų127.878%0.77577%0.768SS**  trans107.3127.9146.400000116.9
2389S28.4Very low28.8Very low125 Ų125131.5 Ų131.587%0.87477%0.774SS**  trans74.7134167560000116.8
2390G29.1Very low28.9Very low76.6 Ų76.6132.7 Ų132.779%0.7977%0.771SS**  trans165.1131.3170.800000113.8
2391E28.9Very low29Very low196 Ų196129.9 Ų129.992%0.91677%0.769SS**  trans-111.4158.2172.2-85.2168.9134.200113.2
2392S30.1Very low29Very low101.4 Ų101.4129.4 Ų129.471%0.70977%0.768SS**  trans-119.7146.2171.450.60000114.7A2394S2392-A2394 PolarHBondContact O-N 2.68Å
2393D29.4Very low29.4Very low152.2 Ų152.2128.3 Ų128.381%0.81477%0.77SS**  -168.4150.3127.7-66.3-41000116.6R3043D2393-R3043 IonicContact OD2-CZ 3.4Å; D2393-R3043 VanDerWaalsContact OD2-CZ 3.27Å; D2393-R3043 IonicContact OD2-NH1 3.51Å; D2393-R3043 PolarHBondContact OD2-NH1 3.42Å; D2393-R3043 IonicContact OD2-NH2 3.57Å; D2393-R3043 PolarHBondContact OD2-NH2 2.89Å
2394A28.4Very low29.5Very low91.6 Ų91.6124.7 Ų124.776%0.75776%0.755SS**  trans-144.1136.4175.400000113.3S2392 G2396S2392-A2394 PolarHBondContact O-N 2.68Å; A2394-G2396 PolarHBondContact O-N 3.27Å; A2394-G2396 VanDerWaalsContact O-N 3.12Å
2395P31.8Very low30.1Very low119.2 Ų119.2125.7 Ų125.777%0.77475%0.749SS**  trans-99.7131.9163.834.1-29.8000112K2723P2395-K2723 VanDerWaalsContact CG-NZ 3.31Å
2396G28.6Very low30.6Very low65 Ų65122.5 Ų122.567%0.6774%0.737SS**  trans-118.7143.1170.100000114.4A2394 G2398 Y2399A2394-G2396 PolarHBondContact O-N 3.27Å; A2394-G2396 VanDerWaalsContact O-N 3.12Å; G2396-G2398 VanDerWaalsContact C-N 3.27Å; G2396-G2398 PolarHBondContact O-N 3.07Å; G2396-Y2399 PolarHBondContact O-N 2.91Å; G2396-Y2399 VanDerWaalsContact O-N 3.15Å
2397L28.3Very low30.9Very low151.8 Ų151.8123.4 Ų123.480%0.79573%0.732SS**  trans-25.533.8175.1-72.4164.9000116.9Y2399 L2400L2397-Y2399 VanDerWaalsContact C-N 3.25Å; L2397-Y2399 PolarHBondContact O-N 3.25Å; L2397-L2400 HydrophobicContact CD2-CD1 4.42Å; L2397-L2400 PolarHBondContact O-N 3.04Å
2398G28.5Very low31.5Very low60.4 Ų60.4116 Ų11662%0.62370%0.703SS**  trans-97.1-15.5-171.400000115G2396 L2400 L2401G2396-G2398 VanDerWaalsContact C-N 3.27Å; G2396-G2398 PolarHBondContact O-N 3.07Å; G2398-L2400 PolarHBondContact O-N 3.31Å; G2398-L2401 PolarHBondContact O-N 3.08Å
2399Y28.2Very low32.1Very low218.8 Ų218.8115.3 Ų115.386%0.85869%0.685SS**G310 helixtrans-90.6-5.7-171.9-90.3-86000115.4G2396 L2397G2396-Y2399 PolarHBondContact O-N 2.91Å; G2396-Y2399 VanDerWaalsContact O-N 3.15Å; L2397-Y2399 VanDerWaalsContact C-N 3.25Å; L2397-Y2399 PolarHBondContact O-N 3.25Å
2400L29.4Very low33Very low133.8 Ų133.8115.1 Ų115.170%0.70167%0.67SS**SBendtrans-100.75.4-179.4-70.7171.8000115.3L2397 G2398L2397-L2400 HydrophobicContact CD2-CD1 4.42Å; L2397-L2400 PolarHBondContact O-N 3.04Å; G2398-L2400 PolarHBondContact O-N 3.31Å
2401L28Very low33.7Very low139.6 Ų139.6114.8 Ų114.873%0.73165%0.648SS**SBendtrans-107.323.6179.9-84.1160.9000113.9G2398 S2403G2398-L2401 PolarHBondContact O-N 3.08Å; L2401-S2403 VanDerWaalsContact C-N 3.27Å; L2401-S2403 PolarHBondContact O-N 3.43Å
2402N29.4Very low34.5Very low149 Ų149106.8 Ų106.880%0.79762%0.615SS**  trans-114.645.4178.7-76.9-13.3000113.6E2308E2308-N2402 PolarHBondContact OE2-ND2 3.39Å
2403S33.2Very low35.3Very low93.8 Ų93.8105.4 Ų105.466%0.65660%0.599SS**  trans-134.457.4-179.6-98.70000112.2L2401 E2405L2401-S2403 VanDerWaalsContact C-N 3.27Å; L2401-S2403 PolarHBondContact O-N 3.43Å; S2403-E2405 PolarHBondContact O-N 3.17Å
2404I34.5Very low36.2Very low96.6 Ų96.6100.5 Ų100.550%0.49558%0.575SS.*  trans-84.7108.7161.6-60.6177.8000106.6P2406 A2408 I2409 I2807I2404-P2406 WeakPolarHBondContact O-CD 3.33Å; I2404-A2408 HydrophobicContact CG2-CB 4.34Å; I2404-I2409 HydrophobicContact CG2-CD1 4.06Å; I2404-I2409 HydrophobicContact CG2-CG1 4.13Å; I2404-I2807 HydrophobicContact CD1-CB 4.26Å; I2404-I2807 HydrophobicContact CG2-CD1 4.46Å
2405E39.4Very low37.1Very low121.2 Ų121.298 Ų9857%0.56655%0.55SS**  trans-61.9131.6177-64.9172150.600110S2403 E2407 A2408 I2409S2403-E2405 PolarHBondContact O-N 3.17Å; E2405-E2407 HydrophobicContact CB-CB 4.39Å; E2405-E2407 PolarHBondContact O-N 3.02Å; E2405-E2407 VanDerWaalsContact O-N 3.12Å; E2405-A2408 HydrophobicContact CB-CB 4.33Å; E2405-A2408 VanDerWaalsContact O-CB 3.22Å; E2405-A2408 WeakPolarHBondContact O-CB 3.35Å; E2405-A2408 PolarHBondContact O-N 3Å; E2405-A2408 VanDerWaalsContact O-N 3.11Å; E2405-I2409 PolarHBondContact O-N 3.43Å
2406P37.7Very low37.8Very low94.4 Ų94.495 Ų9561%0.61353%0.526SS*.Hα-helixtrans-61.6-27.8179.425.2-33.6000112I2404 A2408 I2409 E2410 P3000I2404-P2406 WeakPolarHBondContact O-CD 3.33Å; P2406-A2408 VanDerWaalsContact C-N 3.28Å; P2406-A2408 PolarHBondContact O-N 3.12Å; P2406-I2409 PolarHBondContact O-N 3.01Å; P2406-I2409 VanDerWaalsContact O-N 3.13Å; P2406-E2410 WeakPolarHBondContact O-CB 3.29Å; P2406-E2410 PolarHBondContact O-N 3.1Å; P2406-E2410 VanDerWaalsContact O-N 3.1Å; P2406-P3000 HydrophobicContact CG-CG 4.32Å
2407E39.5Very low38.7Very low124 Ų12494.2 Ų94.258%0.57951%0.513SS*.Hα-helixtrans-62.6-29.9175.6-59.9-175.1-174.400112.9E2405 I2409 F2411 K2909 Q2913E2405-E2407 HydrophobicContact CB-CB 4.39Å; E2405-E2407 PolarHBondContact O-N 3.02Å; E2405-E2407 VanDerWaalsContact O-N 3.12Å; E2407-I2409 VanDerWaalsContact C-N 3.35Å; E2407-F2411 WeakPolarHBondContact O-CB 3.34Å; E2407-F2411 PolarHBondContact O-N 3.33Å; E2407-K2909 PolarHBondContact O-NZ 3.47Å; E2407-Q2913 PolarHBondContact OE2-NE2 2.86Å; E2407-Q2913 VanDerWaalsContact OE2-NE2 3.14Å
2408A40Very low39.5Very low32.8 Ų32.890.7 Ų90.727%0.27149%0.494SS..Hα-helixtrans-72.2-35.2176.200000112.2I2404 E2405 P2406 E2410 F2411 A2412 F2790I2404-A2408 HydrophobicContact CG2-CB 4.34Å; E2405-A2408 HydrophobicContact CB-CB 4.33Å; E2405-A2408 VanDerWaalsContact O-CB 3.22Å; E2405-A2408 WeakPolarHBondContact O-CB 3.35Å; E2405-A2408 PolarHBondContact O-N 3Å; E2405-A2408 VanDerWaalsContact O-N 3.11Å; P2406-A2408 VanDerWaalsContact C-N 3.28Å; P2406-A2408 PolarHBondContact O-N 3.12Å; A2408-E2410 VanDerWaalsContact C-N 3.34Å; A2408-F2411 WeakPolarHBondContact O-CA 3.38Å; A2408-F2411 WeakPolarHBondContact O-CB 3.4Å; A2408-F2411 PolarHBondContact O-N 2.93Å; A2408-A2412 WeakPolarHBondContact O-CB 3.39Å; A2408-A2412 PolarHBondContact O-N 3.08Å; A2408-F2790 HydrophobicContact CB-CD1 3.36Å; A2408-F2790 HydrophobicContact CB-CE1 3.31Å; A2408-F2790 HydrophobicContact CB-CG 4.41Å; A2408-F2790 HydrophobicContact CB-CZ 4.33Å
2409I44Very low40.2Very low77.6 Ų77.691.4 Ų91.440%0.39848%0.483SS..Hα-helixtrans-72.5-46.4175-57.5177.9000109.7I2404 E2405 P2406 E2407 F2411 A2412 D2413 I2805 I2807I2404-I2409 HydrophobicContact CG2-CD1 4.06Å; I2404-I2409 HydrophobicContact CG2-CG1 4.13Å; E2405-I2409 PolarHBondContact O-N 3.43Å; P2406-I2409 PolarHBondContact O-N 3.01Å; P2406-I2409 VanDerWaalsContact O-N 3.13Å; E2407-I2409 VanDerWaalsContact C-N 3.35Å; I2409-F2411 VanDerWaalsContact C-N 3.3Å; I2409-F2411 PolarHBondContact O-N 3.27Å; I2409-A2412 WeakPolarHBondContact O-CA 3.5Å; I2409-A2412 WeakPolarHBondContact O-CB 3.33Å; I2409-A2412 PolarHBondContact O-N 2.98Å; I2409-A2412 VanDerWaalsContact O-N 3.11Å; I2409-D2413 WeakPolarHBondContact O-CB 3.44Å; I2409-D2413 PolarHBondContact O-N 3.22Å; I2409-I2805 HydrophobicContact CD1-CD1 3.86Å; I2409-I2805 HydrophobicContact CG1-CD1 3.98Å; I2409-I2805 HydrophobicContact CG2-CD1 4.25Å; I2409-I2807 HydrophobicContact CB-CD1 4.16Å; I2409-I2807 HydrophobicContact CD1-CD1 3.66Å; I2409-I2807 HydrophobicContact CG1-CD1 3.52Å; I2409-I2807 HydrophobicContact CG2-CD1 3.79Å
2410E46Very low40.9Very low121.4 Ų121.487.1 Ų87.157%0.56747%0.465SS*.Hα-helixtrans-61.9-32.6175.3-170-179.3-152.700111.9P2406 A2408 D2413 T2414 K2909P2406-E2410 WeakPolarHBondContact O-CB 3.29Å; P2406-E2410 PolarHBondContact O-N 3.1Å; P2406-E2410 VanDerWaalsContact O-N 3.1Å; A2408-E2410 VanDerWaalsContact C-N 3.34Å; E2410-D2413 WeakPolarHBondContact O-CB 3.23Å; E2410-T2414 VanDerWaalsContact O-CB 3.32Å; E2410-T2414 WeakPolarHBondContact O-CB 3.39Å; E2410-T2414 VanDerWaalsContact O-CG2 3.31Å; E2410-T2414 WeakPolarHBondContact O-CG2 3.3Å; E2410-T2414 PolarHBondContact O-N 3.12Å; E2410-T2414 PolarHBondContact O-OG1 3.16Å; E2410-T2414 VanDerWaalsContact O-OG1 3.07Å; E2410-K2909 IonicContact OE2-NZ 3.95Å; E2410-K2909 PolarHBondContact OE2-NZ 2.92Å
2411F44.2Very low41.6Very low71.2 Ų71.282.9 Ų82.931%0.31245%0.447SS..Hα-helixtrans-66.6-45.3171.3-176-109000112.4E2407 A2408 I2409 D2413 T2414 V2415 F2790 L2906 K2909E2407-F2411 WeakPolarHBondContact O-CB 3.34Å; E2407-F2411 PolarHBondContact O-N 3.33Å; A2408-F2411 WeakPolarHBondContact O-CA 3.38Å; A2408-F2411 WeakPolarHBondContact O-CB 3.4Å; A2408-F2411 PolarHBondContact O-N 2.93Å; I2409-F2411 VanDerWaalsContact C-N 3.3Å; I2409-F2411 PolarHBondContact O-N 3.27Å; F2411-D2413 VanDerWaalsContact C-N 3.29Å; F2411-D2413 PolarHBondContact O-N 3.04Å; F2411-T2414 VanDerWaalsContact CA-OG1 3.29Å; F2411-T2414 WeakPolarHBondContact CA-OG1 3.34Å; F2411-T2414 WeakPolarHBondContact O-CA 3.33Å; F2411-T2414 PolarHBondContact O-N 2.98Å; F2411-T2414 PolarHBondContact O-OG1 3.12Å; F2411-V2415 HydrophobicContact CD1-CG2 4.15Å; F2411-V2415 HydrophobicContact CD2-CG2 4.03Å; F2411-V2415 HydrophobicContact CE1-CG2 3.68Å; F2411-V2415 VanDerWaalsContact CE1-CG2 3.42Å; F2411-V2415 HydrophobicContact CE2-CG2 3.58Å; F2411-V2415 VanDerWaalsContact CE2-CG2 3.43Å; F2411-V2415 HydrophobicContact CG-CG2 4.44Å; F2411-V2415 HydrophobicContact CZ-CG2 3.66Å; F2411-V2415 VanDerWaalsContact O-CB 3.25Å; F2411-V2415 WeakPolarHBondContact O-CB 3.33Å; F2411-V2415 VanDerWaalsContact O-CG2 3.27Å; F2411-V2415 WeakPolarHBondContact O-CG2 3.34Å; F2411-V2415 PolarHBondContact O-N 3.21Å; F2411-F2790 HydrophobicContact CB-CB 3.91Å; F2411-F2790 HydrophobicContact CB-CD2 4.32Å; F2411-F2790 HydrophobicContact CB-CG 4.22Å; F2411-F2790 HydrophobicContact CD1-CB 3.31Å; F2411-F2790 HydrophobicContact CD1-CD2 4.21Å; F2411-F2790 HydrophobicContact CD1-CG 4.19Å; F2411-F2790 HydrophobicContact CD2-CD2 4.49Å; F2411-F2790 HydrophobicContact CE1-CB 4.18Å; F2411-F2790 AromaticContact CE1-CD1 3.96Å; F2411-F2790 HydrophobicContact CE1-CD1 3.96Å; F2411-F2790 HydrophobicContact CG-CB 3.82Å; F2411-F2790 HydrophobicContact CG-CD2 4.1Å; F2411-F2790 HydrophobicContact CG-CG 4.28Å; F2411-F2790 HydrophobicContact CZ-CB 4.03Å; F2411-F2790 AromaticContact CZ-CD1 3.91Å; F2411-F2790 HydrophobicContact CZ-CD1 3.91Å; F2411-F2790 HydrophobicContact CZ-CG 4.38Å; F2411-F2790 VanDerWaalsContact CZ-O 3.28Å; F2411-F2790 WeakPolarHBondContact CZ-O 3.31Å; F2411-L2906 HydrophobicContact CE2-CD2 3.83Å; F2411-L2906 HydrophobicContact CZ-CD2 4.29Å; F2411-K2909 HydrophobicContact CB-CD 4.48Å; F2411-K2909 HydrophobicContact CD2-CD 4.17Å
2412A45.1Very low42Very low26.4 Ų26.480.2 Ų80.222%0.21843%0.433CS..Hα-helixtrans-58.6-46.2175.500000111.6A2408 I2409 T2414 V2415 E2416 F2790 P2792 I2798A2408-A2412 WeakPolarHBondContact O-CB 3.39Å; A2408-A2412 PolarHBondContact O-N 3.08Å; I2409-A2412 WeakPolarHBondContact O-CA 3.5Å; I2409-A2412 WeakPolarHBondContact O-CB 3.33Å; I2409-A2412 PolarHBondContact O-N 2.98Å; I2409-A2412 VanDerWaalsContact O-N 3.11Å; A2412-T2414 PolarHBondContact O-N 3.17Å; A2412-V2415 PolarHBondContact O-N 3.09Å; A2412-V2415 VanDerWaalsContact O-N 3.12Å; A2412-E2416 VanDerWaalsContact O-CB 3.27Å; A2412-E2416 WeakPolarHBondContact O-CB 3.44Å; A2412-E2416 PolarHBondContact O-N 3.11Å; A2412-F2790 WeakPolarHBondContact CA-O 3.47Å; A2412-F2790 WeakPolarHBondContact CB-O 3.45Å; A2412-F2790 PolarHBondContact N-O 2.85Å; A2412-P2792 HydrophobicContact CB-CG 4.29Å; A2412-I2798 HydrophobicContact CB-CD1 3.92Å; A2412-I2798 VanDerWaalsContact CB-CD1 3.41Å
2413D47.4Very low42.5Very low71.8 Ų71.876.6 Ų76.638%0.38442%0.416SS..Hα-helixtrans-65.5-38.9177.6-78.8-26.8000112.5I2409 E2410 F2411 E2416 A2417 R2905 R3055I2409-D2413 WeakPolarHBondContact O-CB 3.44Å; I2409-D2413 PolarHBondContact O-N 3.22Å; E2410-D2413 WeakPolarHBondContact O-CB 3.23Å; F2411-D2413 VanDerWaalsContact C-N 3.29Å; F2411-D2413 PolarHBondContact O-N 3.04Å; D2413-E2416 PolarHBondContact O-N 3.25Å; D2413-A2417 WeakPolarHBondContact O-CB 3.39Å; D2413-A2417 PolarHBondContact O-N 3.1Å; D2413-A2417 VanDerWaalsContact O-N 3.16Å; D2413-R2905 PolarHBondContact O-NH1 3.27Å; D2413-R3055 VanDerWaalsContact CG-NH1 3.27Å; D2413-R3055 IonicContact OD1-CZ 3.49Å; D2413-R3055 IonicContact OD1-NH1 3.31Å; D2413-R3055 PolarHBondContact OD1-NH1 2.96Å; D2413-R3055 IonicContact OD1-NH2 3.13Å; D2413-R3055 PolarHBondContact OD1-NH2 3.37Å; D2413-R3055 IonicContact OD2-CZ 3.44Å; D2413-R3055 IonicContact OD2-NE 2.68Å; D2413-R3055 IonicContact OD2-NH1 3.88Å; D2413-R3055 PolarHBondContact OD2-NH1 2.82Å; D2413-R3055 IonicContact OD2-NH2 2.62Å; D2413-R3055 PolarHBondContact OD2-NH2 3.25Å
2414T49.2Very low42.8Very low49.8 Ų49.875.8 Ų75.831%0.30641%0.408SS..Hα-helixtrans-68.8-40.1174.953.40000112.4E2410 F2411 A2412 E2416 A2417 I2418 R2905E2410-T2414 VanDerWaalsContact O-CB 3.32Å; E2410-T2414 WeakPolarHBondContact O-CB 3.39Å; E2410-T2414 VanDerWaalsContact O-CG2 3.31Å; E2410-T2414 WeakPolarHBondContact O-CG2 3.3Å; E2410-T2414 PolarHBondContact O-N 3.12Å; E2410-T2414 PolarHBondContact O-OG1 3.16Å; E2410-T2414 VanDerWaalsContact O-OG1 3.07Å; F2411-T2414 VanDerWaalsContact CA-OG1 3.29Å; F2411-T2414 WeakPolarHBondContact CA-OG1 3.34Å; F2411-T2414 WeakPolarHBondContact O-CA 3.33Å; F2411-T2414 PolarHBondContact O-N 2.98Å; F2411-T2414 PolarHBondContact O-OG1 3.12Å; A2412-T2414 PolarHBondContact O-N 3.17Å; T2414-E2416 VanDerWaalsContact C-N 3.3Å; T2414-E2416 PolarHBondContact O-N 3.26Å; T2414-A2417 CarbonylContact O-C 3.59Å; T2414-A2417 WeakPolarHBondContact O-CA 3.4Å; T2414-A2417 WeakPolarHBondContact O-CB 3.27Å; T2414-A2417 PolarHBondContact O-N 3.02Å; T2414-A2417 VanDerWaalsContact O-N 3.08Å; T2414-I2418 WeakPolarHBondContact O-CB 3.45Å; T2414-I2418 WeakPolarHBondContact O-CD1 3.37Å; T2414-I2418 VanDerWaalsContact O-CG1 3.27Å; T2414-I2418 WeakPolarHBondContact O-CG1 3.28Å; T2414-I2418 PolarHBondContact O-N 2.98Å; T2414-I2418 VanDerWaalsContact O-N 3.08Å; T2414-R2905 VanDerWaalsContact C-NH1 3.34Å; T2414-R2905 VanDerWaalsContact CA-NH1 3.25Å; T2414-R2905 HydrophobicContact CG2-CB 3.74Å; T2414-R2905 HydrophobicContact CG2-CG 3.89Å; T2414-R2905 PolarHBondContact O-NH1 3.02Å; T2414-R2905 PolarHBondContact O-NH2 3.05Å
2415V47.4Very low42.8Very low40.4 Ų40.477.6 Ų77.625%0.24541%0.414CS..Hα-helixtrans-64.5-44.6173.5170.90000110.7F2411 A2412 A2417 I2418 I2419 T2791 P2792F2411-V2415 HydrophobicContact CD1-CG2 4.15Å; F2411-V2415 HydrophobicContact CD2-CG2 4.03Å; F2411-V2415 HydrophobicContact CE1-CG2 3.68Å; F2411-V2415 VanDerWaalsContact CE1-CG2 3.42Å; F2411-V2415 HydrophobicContact CE2-CG2 3.58Å; F2411-V2415 VanDerWaalsContact CE2-CG2 3.43Å; F2411-V2415 HydrophobicContact CG-CG2 4.44Å; F2411-V2415 HydrophobicContact CZ-CG2 3.66Å; F2411-V2415 VanDerWaalsContact O-CB 3.25Å; F2411-V2415 WeakPolarHBondContact O-CB 3.33Å; F2411-V2415 VanDerWaalsContact O-CG2 3.27Å; F2411-V2415 WeakPolarHBondContact O-CG2 3.34Å; F2411-V2415 PolarHBondContact O-N 3.21Å; A2412-V2415 PolarHBondContact O-N 3.09Å; A2412-V2415 VanDerWaalsContact O-N 3.12Å; V2415-A2417 VanDerWaalsContact C-N 3.32Å; V2415-A2417 PolarHBondContact O-N 2.98Å; V2415-I2418 WeakPolarHBondContact O-CB 3.43Å; V2415-I2418 PolarHBondContact O-N 3.15Å; V2415-I2419 HydrophobicContact CG1-CD1 3.85Å; V2415-I2419 HydrophobicContact CG1-CG1 4.47Å; V2415-I2419 WeakPolarHBondContact O-CB 3.3Å; V2415-I2419 VanDerWaalsContact O-CG1 3.28Å; V2415-I2419 WeakPolarHBondContact O-CG1 3.38Å; V2415-I2419 PolarHBondContact O-N 3.3Å; V2415-T2791 HydrophobicContact CG1-CG2 4.41Å; V2415-P2792 HydrophobicContact CG1-CG 4.07Å
2416E45.4Very low42.6Very low54.4 Ų54.479.1 Ų79.125%0.25443%0.426SS..Hα-helixtrans-64-36.2177.9-153.3-173.4-174.900112A2412 D2413 T2414 I2419 R2420 Y2800A2412-E2416 VanDerWaalsContact O-CB 3.27Å; A2412-E2416 WeakPolarHBondContact O-CB 3.44Å; A2412-E2416 PolarHBondContact O-N 3.11Å; D2413-E2416 PolarHBondContact O-N 3.25Å; T2414-E2416 VanDerWaalsContact C-N 3.3Å; T2414-E2416 PolarHBondContact O-N 3.26Å; E2416-I2419 CarbonylContact O-C 3.58Å; E2416-I2419 WeakPolarHBondContact O-CB 3.48Å; E2416-I2419 PolarHBondContact O-N 3.12Å; E2416-R2420 VanDerWaalsContact CD-NH1 3.3Å; E2416-R2420 WeakPolarHBondContact O-CB 3.34Å; E2416-R2420 VanDerWaalsContact O-CG 3.31Å; E2416-R2420 WeakPolarHBondContact O-CG 3.37Å; E2416-R2420 PolarHBondContact O-N 3.11Å; E2416-R2420 IonicContact OE1-CZ 3.17Å; E2416-R2420 IonicContact OE1-NH1 3.44Å; E2416-R2420 PolarHBondContact OE1-NH1 2.93Å; E2416-R2420 IonicContact OE1-NH2 3.16Å; E2416-R2420 PolarHBondContact OE1-NH2 3.06Å; E2416-R2420 IonicContact OE2-CZ 3.3Å; E2416-R2420 IonicContact OE2-NH1 3.28Å; E2416-R2420 PolarHBondContact OE2-NH1 3.05Å; E2416-R2420 IonicContact OE2-NH2 3.29Å; E2416-R2420 PolarHBondContact OE2-NH2 3.24Å; E2416-Y2800 PolarHBondContact OE2-OH 3.13Å
2417A49Very low42.3Very low48.2 Ų48.284.7 Ų84.740%0.39844%0.435SS..Hα-helixtrans-71.1-31.8173.900000113.5D2413 T2414 V2415 I2419 R2420 S2421 R2905D2413-A2417 WeakPolarHBondContact O-CB 3.39Å; D2413-A2417 PolarHBondContact O-N 3.1Å; D2413-A2417 VanDerWaalsContact O-N 3.16Å; T2414-A2417 CarbonylContact O-C 3.59Å; T2414-A2417 WeakPolarHBondContact O-CA 3.4Å; T2414-A2417 WeakPolarHBondContact O-CB 3.27Å; T2414-A2417 PolarHBondContact O-N 3.02Å; T2414-A2417 VanDerWaalsContact O-N 3.08Å; V2415-A2417 VanDerWaalsContact C-N 3.32Å; V2415-A2417 PolarHBondContact O-N 2.98Å; A2417-I2419 VanDerWaalsContact C-N 3.27Å; A2417-I2419 PolarHBondContact O-N 3.46Å; A2417-R2420 HydrophobicContact CB-CB 4.45Å; A2417-R2420 PolarHBondContact O-N 2.94Å; A2417-R2420 VanDerWaalsContact O-N 3.13Å; A2417-S2421 WeakPolarHBondContact O-CB 3.38Å; A2417-S2421 PolarHBondContact O-N 3.15Å; A2417-S2421 VanDerWaalsContact O-N 3.14Å; A2417-S2421 PolarHBondContact O-OG 3.36Å; A2417-R2905 VanDerWaalsContact C-NH1 3.29Å; A2417-R2905 VanDerWaalsContact CA-NH1 3.34Å
2418I44.7Very low41.8Very low79.6 Ų79.688.9 Ų88.941%0.40845%0.445SS..Hα-helixtrans-69-39.5170.4-79.6166000110.4T2414 V2415 R2420 S2421 N2422 R2905T2414-I2418 WeakPolarHBondContact O-CB 3.45Å; T2414-I2418 WeakPolarHBondContact O-CD1 3.37Å; T2414-I2418 VanDerWaalsContact O-CG1 3.27Å; T2414-I2418 WeakPolarHBondContact O-CG1 3.28Å; T2414-I2418 PolarHBondContact O-N 2.98Å; T2414-I2418 VanDerWaalsContact O-N 3.08Å; V2415-I2418 WeakPolarHBondContact O-CB 3.43Å; V2415-I2418 PolarHBondContact O-N 3.15Å; I2418-R2420 VanDerWaalsContact C-N 3.28Å; I2418-R2420 PolarHBondContact O-N 3.27Å; I2418-S2421 WeakPolarHBondContact CA-OG 3.48Å; I2418-S2421 WeakPolarHBondContact O-CB 3.06Å; I2418-S2421 PolarHBondContact O-N 3.04Å; I2418-S2421 PolarHBondContact O-OG 3.11Å; I2418-S2421 VanDerWaalsContact O-OG 3.05Å; I2418-N2422 VanDerWaalsContact O-CB 3.31Å; I2418-N2422 WeakPolarHBondContact O-CB 3.43Å; I2418-N2422 VanDerWaalsContact O-CG 3.26Å; I2418-N2422 PolarHBondContact O-N 3.11Å; I2418-N2422 VanDerWaalsContact O-N 3.16Å; I2418-N2422 PolarHBondContact O-ND2 3.37Å; I2418-N2422 PolarHBondContact O-OD1 3.11Å; I2418-R2905 HydrophobicContact CD1-CB 4.32Å; I2418-R2905 VanDerWaalsContact CG1-CZ 3.5Å
2419I43Very low41.4Very low74.2 Ų74.294.4 Ų94.438%0.38147%0.47SS..Hα-helixtrans-63.7-41.9173.7-71167.8000110.2V2415 E2416 A2417 N2422 T2423V2415-I2419 HydrophobicContact CG1-CD1 3.85Å; V2415-I2419 HydrophobicContact CG1-CG1 4.47Å; V2415-I2419 WeakPolarHBondContact O-CB 3.3Å; V2415-I2419 VanDerWaalsContact O-CG1 3.28Å; V2415-I2419 WeakPolarHBondContact O-CG1 3.38Å; V2415-I2419 PolarHBondContact O-N 3.3Å; E2416-I2419 CarbonylContact O-C 3.58Å; E2416-I2419 WeakPolarHBondContact O-CB 3.48Å; E2416-I2419 PolarHBondContact O-N 3.12Å; A2417-I2419 VanDerWaalsContact C-N 3.27Å; A2417-I2419 PolarHBondContact O-N 3.46Å; I2419-N2422 PolarHBondContact O-N 3.31Å; I2419-T2423 HydrophobicContact CG2-CG2 4.45Å; I2419-T2423 VanDerWaalsContact O-CB 3.3Å; I2419-T2423 WeakPolarHBondContact O-CB 3.31Å; I2419-T2423 VanDerWaalsContact O-CG2 3.26Å; I2419-T2423 WeakPolarHBondContact O-CG2 3.42Å; I2419-T2423 PolarHBondContact O-N 3.21Å; I2419-T2423 PolarHBondContact O-OG1 2.97Å
2420R42.6Very low40.7Very low129.2 Ų129.297.6 Ų97.649%0.48849%0.488SS..Hα-helixtrans-67.3-40.9175.8-75.1-174.7-179.810910.1113.3E2416 A2417 I2418 N2422 T2423 V2424E2416-R2420 VanDerWaalsContact CD-NH1 3.3Å; E2416-R2420 WeakPolarHBondContact O-CB 3.34Å; E2416-R2420 VanDerWaalsContact O-CG 3.31Å; E2416-R2420 WeakPolarHBondContact O-CG 3.37Å; E2416-R2420 PolarHBondContact O-N 3.11Å; E2416-R2420 IonicContact OE1-CZ 3.17Å; E2416-R2420 IonicContact OE1-NH1 3.44Å; E2416-R2420 PolarHBondContact OE1-NH1 2.93Å; E2416-R2420 IonicContact OE1-NH2 3.16Å; E2416-R2420 PolarHBondContact OE1-NH2 3.06Å; E2416-R2420 IonicContact OE2-CZ 3.3Å; E2416-R2420 IonicContact OE2-NH1 3.28Å; E2416-R2420 PolarHBondContact OE2-NH1 3.05Å; E2416-R2420 IonicContact OE2-NH2 3.29Å; E2416-R2420 PolarHBondContact OE2-NH2 3.24Å; A2417-R2420 HydrophobicContact CB-CB 4.45Å; A2417-R2420 PolarHBondContact O-N 2.94Å; A2417-R2420 VanDerWaalsContact O-N 3.13Å; I2418-R2420 VanDerWaalsContact C-N 3.28Å; I2418-R2420 PolarHBondContact O-N 3.27Å; R2420-N2422 VanDerWaalsContact C-N 3.3Å; R2420-N2422 PolarHBondContact O-N 3Å; R2420-T2423 WeakPolarHBondContact CA-OG1 3.32Å; R2420-T2423 PolarHBondContact O-N 3.46Å; R2420-T2423 PolarHBondContact O-OG1 3.17Å; R2420-V2424 HydrophobicContact CB-CG2 4.46Å; R2420-V2424 VanDerWaalsContact O-CB 3.24Å; R2420-V2424 WeakPolarHBondContact O-CB 3.35Å; R2420-V2424 VanDerWaalsContact O-CG2 3.24Å; R2420-V2424 WeakPolarHBondContact O-CG2 3.34Å; R2420-V2424 PolarHBondContact O-N 3.14Å; R2420-V2424 VanDerWaalsContact O-N 3.1Å
2421S43.3Very low40Very low44.6 Ų44.699.8 Ų99.831%0.31250%0.502SS..Hα-helixtrans-59.7-48.3175.970.80000111A2417 I2418 T2423 V2424 Q2425A2417-S2421 WeakPolarHBondContact O-CB 3.38Å; A2417-S2421 PolarHBondContact O-N 3.15Å; A2417-S2421 VanDerWaalsContact O-N 3.14Å; A2417-S2421 PolarHBondContact O-OG 3.36Å; I2418-S2421 WeakPolarHBondContact CA-OG 3.48Å; I2418-S2421 WeakPolarHBondContact O-CB 3.06Å; I2418-S2421 PolarHBondContact O-N 3.04Å; I2418-S2421 PolarHBondContact O-OG 3.11Å; I2418-S2421 VanDerWaalsContact O-OG 3.05Å; S2421-T2423 VanDerWaalsContact C-N 3.31Å; S2421-T2423 PolarHBondContact O-N 3.24Å; S2421-V2424 PolarHBondContact O-N 3.15Å; S2421-Q2425 WeakPolarHBondContact O-CB 3.05Å; S2421-Q2425 WeakPolarHBondContact O-CG 3.32Å; S2421-Q2425 PolarHBondContact O-N 3.2Å; S2421-Q2425 VanDerWaalsContact O-N 3.12Å; S2421-Q2425 PolarHBondContact O-OE1 3.26Å; S2421-Q2425 PolarHBondContact OG-NE2 2.92Å
2422N36.5Very low39.4Very low84 Ų8499.1 Ų99.145%0.44952%0.515SS..Hα-helixtrans-78.6-21.7-170.6-62.84.8000112.8I2418 I2419 R2420 N2426I2418-N2422 VanDerWaalsContact O-CB 3.31Å; I2418-N2422 WeakPolarHBondContact O-CB 3.43Å; I2418-N2422 VanDerWaalsContact O-CG 3.26Å; I2418-N2422 PolarHBondContact O-N 3.11Å; I2418-N2422 VanDerWaalsContact O-N 3.16Å; I2418-N2422 PolarHBondContact O-ND2 3.37Å; I2418-N2422 PolarHBondContact O-OD1 3.11Å; I2419-N2422 PolarHBondContact O-N 3.31Å; R2420-N2422 VanDerWaalsContact C-N 3.3Å; R2420-N2422 PolarHBondContact O-N 3Å; N2422-N2426 PolarHBondContact O-N 3.22Å
2423T40.5Very low38.7Very low72 Ų72105.1 Ų105.144%0.44254%0.544SS..Hα-helixtrans-88.7-19.4174.553.30000114.5I2419 R2420 S2421 R2427I2419-T2423 HydrophobicContact CG2-CG2 4.45Å; I2419-T2423 VanDerWaalsContact O-CB 3.3Å; I2419-T2423 WeakPolarHBondContact O-CB 3.31Å; I2419-T2423 VanDerWaalsContact O-CG2 3.26Å; I2419-T2423 WeakPolarHBondContact O-CG2 3.42Å; I2419-T2423 PolarHBondContact O-N 3.21Å; I2419-T2423 PolarHBondContact O-OG1 2.97Å; R2420-T2423 WeakPolarHBondContact CA-OG1 3.32Å; R2420-T2423 PolarHBondContact O-N 3.46Å; R2420-T2423 PolarHBondContact O-OG1 3.17Å; S2421-T2423 VanDerWaalsContact C-N 3.31Å; S2421-T2423 PolarHBondContact O-N 3.24Å; T2423-R2427 WeakPolarHBondContact O-CG 3.22Å; T2423-R2427 PolarHBondContact O-N 3.2Å
2424V39.1Very low38Very low78.8 Ų78.8108.2 Ų108.248%0.47856%0.56SS.*Hα-helixtrans-85.5-32.5177.9173.60000112.3R2420 S2421 N2426 R2427 R2428R2420-V2424 HydrophobicContact CB-CG2 4.46Å; R2420-V2424 VanDerWaalsContact O-CB 3.24Å; R2420-V2424 WeakPolarHBondContact O-CB 3.35Å; R2420-V2424 VanDerWaalsContact O-CG2 3.24Å; R2420-V2424 WeakPolarHBondContact O-CG2 3.34Å; R2420-V2424 PolarHBondContact O-N 3.14Å; R2420-V2424 VanDerWaalsContact O-N 3.1Å; S2421-V2424 PolarHBondContact O-N 3.15Å; V2424-N2426 PolarHBondContact O-N 3.28Å; V2424-R2427 CarbonylContact O-C 3.59Å; V2424-R2427 PolarHBondContact O-N 2.93Å; V2424-R2427 VanDerWaalsContact O-N 3.09Å; V2424-R2428 HydrophobicContact CG1-CG 4.33Å; V2424-R2428 PolarHBondContact O-N 3.1Å
2425Q35.6Very low37.1Very low134.4 Ų134.4112.2 Ų112.263%0.62858%0.58SS**Hα-helixtrans-65.5-32.3180-75171.7-41.900112.8S2421 R2427 R2428S2421-Q2425 WeakPolarHBondContact O-CB 3.05Å; S2421-Q2425 WeakPolarHBondContact O-CG 3.32Å; S2421-Q2425 PolarHBondContact O-N 3.2Å; S2421-Q2425 VanDerWaalsContact O-N 3.12Å; S2421-Q2425 PolarHBondContact O-OE1 3.26Å; S2421-Q2425 PolarHBondContact OG-NE2 2.92Å; Q2425-R2427 VanDerWaalsContact C-N 3.32Å; Q2425-R2427 PolarHBondContact O-N 3.07Å; Q2425-R2427 VanDerWaalsContact O-N 3.11Å; Q2425-R2428 PolarHBondContact O-N 2.92Å
2426N34.1Very low36.3Very low152 Ų152118.7 Ų118.781%0.81361%0.607SS**THydrogen-bonded Turntrans-79.513.1174.4-91.2-29.8000114.7N2422 V2424N2422-N2426 PolarHBondContact O-N 3.22Å; V2424-N2426 PolarHBondContact O-N 3.28Å
2427R31.8Very low35.6Very low212.8 Ų212.8122.5 Ų122.580%0.80363%0.63SS**THydrogen-bonded Turntrans-127.318.9175.8-82.2-170.2-161.1-164.24114.7T2423 V2424 Q2425T2423-R2427 WeakPolarHBondContact O-CG 3.22Å; T2423-R2427 PolarHBondContact O-N 3.2Å; V2424-R2427 CarbonylContact O-C 3.59Å; V2424-R2427 PolarHBondContact O-N 2.93Å; V2424-R2427 VanDerWaalsContact O-N 3.09Å; Q2425-R2427 VanDerWaalsContact C-N 3.32Å; Q2425-R2427 PolarHBondContact O-N 3.07Å; Q2425-R2427 VanDerWaalsContact O-N 3.11Å
2428R29.4Very low34.8Very low211 Ų211125.6 Ų125.680%0.79665%0.646SS**SBendtrans-127.544.8171.2-80.9-179.6173.6154.6-0.7113V2424 Q2425V2424-R2428 HydrophobicContact CG1-CG 4.33Å; V2424-R2428 PolarHBondContact O-N 3.1Å; Q2425-R2428 PolarHBondContact O-N 2.92Å
2429N30.8Very low34Very low147.6 Ų147.6129.7 Ų129.779%0.78967%0.667SS**SBendtrans-134.485160.7-85.2-21.4000109.5
2430N29.3Very low33.2Very low145.6 Ų145.6129.3 Ų129.378%0.77968%0.681SS**SBendtrans-176.5133.2159.2-82.7-30.1000111.7
2431I31.9Very low32.4Very low167.2 Ų167.2130.8 Ų130.886%0.85770%0.698SS**  trans79.5119.2158-59.6160.8000112.8
2432G30.6Very low31.7Very low58 Ų58134.2 Ų134.260%0.59872%0.717SS**  116.8140.410200000113.7
2433D31Very low31.3Very low152.4 Ų152.4136.5 Ų136.582%0.81573%0.728SS**  25.9150.8110-59.5-28.2000116.6
2434D32.8Very low30.6Very low136.4 Ų136.4139.1 Ų139.173%0.72974%0.739SS**  97.7124.6126.9-80.33.9000119.6
2435N30.4Very low30.1Very low134.4 Ų134.4144.3 Ų144.372%0.71976%0.755SS**  trans105.3119.7131.3-80.9-52.6000116.9N2437N2435-N2437 PolarHBondContact O-N 3.25Å
2436E31.5Very low29.7Very low175 Ų175144.8 Ų144.882%0.81876%0.761SS**  172.4117128.1-74.4-159.9164.700115.8
2437N28.8Very low29.3Very low135.4 Ų135.4142.5 Ų142.572%0.72476%0.756SS**  61.3134.3125.8-72.6-45.4000120.4N2435N2435-N2437 PolarHBondContact O-N 3.25Å
2438P32.1Very low29Very low112.8 Ų112.8140.9 Ų140.973%0.73276%0.758SS**  trans-122.4155.5179.434.5-19.7000115.3
2439I28.1Very low28.8Very low165.8 Ų165.8137.1 Ų137.185%0.8576%0.759SS**  trans166.1119.8153.8-62.7166.4000111.4
2440G26.1Very low28.6Very low66.6 Ų66.6135.2 Ų135.269%0.68776%0.757SS**  trans-150.3127.5162.600000114.2
2441L27.7Very low28.5Very low160.2 Ų160.2132.7 Ų132.784%0.83975%0.751SS**  trans83.7119.4151.5-79.2169.3000116.1
2442T27.9Very low28.3Very low116.2 Ų116.2133 Ų13371%0.71375%0.748SS**  157.6128.7110.518.20000115.3
2443I27.9Very low28.1Very low131.8 Ų131.8134.9 Ų134.968%0.67675%0.752SS**  trans98.2117.4135.9-71.3165.5000115.8Y2843I2443-Y2843 HydrophobicContact CD1-CD2 3.91Å; I2443-Y2843 HydrophobicContact CG1-CD2 4.16Å; I2443-Y2843 HydrophobicContact CG2-CE2 4.34Å
2444N26.4Very low27.8Very low126.6 Ų126.6138.4 Ų138.468%0.67775%0.754SS**  trans68.7109144.8-71.1-33000120.3Y2843N2444-Y2843 PolarHBondContact OD1-OH 3.05Å
2445K27.4Very low27.4Very low188 Ų188140.4 Ų140.482%0.81776%0.757SS**  142.8135.2127.6-87.9167.2-177.5173.90114.9
2446I27.5Very low27.2Very low145.8 Ų145.8141.5 Ų141.575%0.74876%0.757SS**  trans124.3111.7134.9-75.1160.9000113.2Q2448I2446-Q2448 HydrophobicContact CG2-CB 4.29Å; I2446-Q2448 WeakPolarHBondContact CG2-O 3.47Å
2447S25.3Very low26.9Very low102.4 Ų102.4142.1 Ų142.172%0.71676%0.757SS**  trans-41.7132.2140.720.90000114.3
2448Q25.7Very low26.7Very low178.8 Ų178.8144 Ų14484%0.83676%0.762SS**  trans117.7136.6160.4-78.8168.215.100113.9I2446I2446-Q2448 HydrophobicContact CG2-CB 4.29Å; I2446-Q2448 WeakPolarHBondContact CG2-O 3.47Å
2449T25.8Very low26.4Very low132.2 Ų132.2143.6 Ų143.681%0.81176%0.762SS**  trans-169.7136.8148.152.30000113.6
2450S26.8Very low26.3Very low107.8 Ų107.8142 Ų14275%0.75476%0.76SS**  -162.4146.3105.854.70000111.7
2451S26.9Very low26.3Very low93.6 Ų93.6146.9 Ų146.966%0.65577%0.765SS**  70134.798.51220000114.6
2452H26.9Very low26.2Very low173 Ų173146.4 Ų146.480%0.80176%0.763SS**  trans109.8122.6140.6-83.1-58.4000117.3
2453S26.5Very low26.1Very low97.8 Ų97.8144.8 Ų144.868%0.68476%0.761SS**  123.6125.2129.1-163.50000114.8K2455S2453-K2455 PolarHBondContact O-N 2.8Å
2454W25.3Very low26.1Very low226.8 Ų226.8145.1 Ų145.186%0.85977%0.765SS**  trans-45116.3162.5-74.438.8000115.9
2455K25.2Very low26.3Very low177.6 Ų177.6146 Ų14677%0.77276%0.764SS**  108.992.3103.2-67.6-167.1176-176.50115.7S2453S2453-K2455 PolarHBondContact O-N 2.8Å
2456H26Very low26.3Very low158 Ų158144.6 Ų144.673%0.73176%0.758SS**  trans-143.3137.5137.3-114.1-72.8000113.1Q2458H2456-Q2458 PolarHBondContact O-N 2.88Å
2457F24.6Very low26.4Very low187.8 Ų187.8143.4 Ų143.482%0.82475%0.753SS**SBendtrans89.565.5171.2-102.8-89.6000115.7
2458Q25.4Very low26.5Very low173.4 Ų173.4145.1 Ų145.181%0.8176%0.755SS**  trans176101.3136.4-93.3-176.6-2.300114.3H2456H2456-Q2458 PolarHBondContact O-N 2.88Å
2459S24.4Very low26.7Very low105.4 Ų105.4143.1 Ų143.174%0.73775%0.749SS**  trans116.1121.3144.3-1560000116.9
2460T26.4Very low26.6Very low131.2 Ų131.2147.4 Ų147.481%0.80575%0.751SS**  trans177116.5142.241.20000115
2461Q26.1Very low26.6Very low170 Ų170149 Ų14979%0.79475%0.749SS**  -119.4151.7128.6-91.4-173.7-100111.1
2462N25.5Very low26.5Very low149.2 Ų149.2149.5 Ų149.580%0.79875%0.753SS**  trans53.6117.1156.9-66.4-33.4000116.8
2463A25.9Very low26.5Very low82.8 Ų82.8146.8 Ų146.868%0.68475%0.749SS**  trans-102.7141.4131.300000114.3
2464N27.9Very low26.4Very low139.4 Ų139.4148.1 Ų148.175%0.74575%0.748SS**  trans110.7130.3144.9-73.9-35.6000116.7
2465H30.5Very low26.4Very low144.2 Ų144.2144.6 Ų144.667%0.66874%0.741SS**  83.9119.4113.7-81.8-10000117.8
2466K27.9Very low26.4Very low158.4 Ų158.4142.5 Ų142.569%0.68974%0.738SS**  87.313894.5-86.4179.5177.5169.90117.1
2467N29.1Very low26.3Very low121 Ų121141.1 Ų141.165%0.64773%0.734SS**  trans94.4114.3139.7-69.4-6.8000118.3N2469N2467-N2469 HydrophobicContact CB-CB 4.41Å; N2467-N2469 PolarHBondContact ND2-ND2 3.48Å; N2467-N2469 PolarHBondContact ND2-OD1 3.41Å; N2467-N2469 PolarHBondContact OD1-N 3.39Å; N2467-N2469 PolarHBondContact OD1-OD1 3.32Å
2468N27.1Very low26.6Very low139.6 Ų139.6139.6 Ų139.675%0.74773%0.729SS**  37.1128.3106.1-56.9-11.5000119.3
2469N29.8Very low26.6Very low135.4 Ų135.4136.7 Ų136.772%0.72472%0.72SS**  108.5129.9124.6-72-28000112.7N2467N2467-N2469 HydrophobicContact CB-CB 4.41Å; N2467-N2469 PolarHBondContact ND2-ND2 3.48Å; N2467-N2469 PolarHBondContact ND2-OD1 3.41Å; N2467-N2469 PolarHBondContact OD1-N 3.39Å; N2467-N2469 PolarHBondContact OD1-OD1 3.32Å
2470R25.1Very low26.9Very low223.2 Ų223.2139.1 Ų139.184%0.84272%0.719SS**  cis110148.426.2-147.2-176.8-170.2-175.82.8111
2471I26.7Very low26.9Very low141 Ų141140.7 Ų140.772%0.72372%0.717SS**  trans85.6115.2172.9-55167.4000112.7V2473I2471-V2473 HydrophobicContact CG2-CG2 4.45Å
2472S24.1Very low27.1Very low103.6 Ų103.6139.1 Ų139.172%0.72471%0.71SS**  91.1161.163.8-64.30000116.2
2473V25.9Very low27.2Very low117.4 Ų117.4139.4 Ų139.471%0.71270%0.704SS**  trans87.9121.2173.8177.50000114.4I2471I2471-V2473 HydrophobicContact CG2-CG2 4.45Å
2474D25Very low27.3Very low124.8 Ų124.8140.6 Ų140.667%0.66771%0.708SS**  83.4151.2119.3-79-29.7000117.5
2475Q26.4Very low27.3Very low152.6 Ų152.6141 Ų14171%0.71371%0.705SS**  trans100.2133.3134.2-90.7170.548.100118.5
2476L23.9Very low27.2Very low134.4 Ų134.4141.6 Ų141.670%0.70471%0.706SS**  90.3128.7126.4-74.6169.7000119
2477I25.4Very low27.2Very low127.6 Ų127.6141.5 Ų141.565%0.65471%0.711SS**  76.9146124.7-57.3170.8000118.6
2478H29.5Very low27Very low156.4 Ų156.4140.8 Ų140.872%0.72471%0.714SS**  trans83.8121.6168.4-66.5-48.5000117.1
2479N26.2Very low26.9Very low114 Ų114142.8 Ų142.861%0.6172%0.719SS**  130.5154.551-93.227.9000112.2
2480E29.5Very low27.1Very low154.6 Ų154.6141.5 Ų141.572%0.72272%0.718SS**  113.4136.2104.2-86.4157.7-155.300115.1
2481E27.5Very low27.2Very low165 Ų165139 Ų13977%0.77172%0.72SS**  57145.9114.7-61.6-173.5145.700117.5
2482E29.3Very low27.2Very low136.2 Ų136.2135.2 Ų135.264%0.63672%0.715SS**  cis162.114645.5-87.2-167.1144.300116.4
2483K28.6Very low27.3Very low156.2 Ų156.2137.9 Ų137.968%0.67972%0.721SS**  62.9132124.4-75.9158.1-170.1147.90118.5
2484S27.9Very low27.2Very low108.6 Ų108.6139 Ų13976%0.75972%0.722SS**  95.7132.2108.342.10000115.3
2485E28.5Very low27.2Very low147 Ų147138.9 Ų138.969%0.68773%0.726SS**  cis-160.6157.349.8-108.5-169.3159.800114.8
2486K28.1Very low27.2Very low156.6 Ų156.6139.7 Ų139.768%0.68173%0.73SS**  100.4143.1104.9-98.6168.8-175.4112.10117.6C2488K2486-C2488 PolarHBondContact O-N 3.28Å
2487I27.1Very low27.2Very low155.6 Ų155.6137.9 Ų137.980%0.79873%0.728SS**  trans122.7127.3144.3-72.2164.4000112.7
2488C24.8Very low27.2Very low107 Ų107136.2 Ų136.272%0.72373%0.728SS**  trans30.1139.6130.1-59.10000116K2486K2486-C2488 PolarHBondContact O-N 3.28Å
2489E26Very low27Very low181.8 Ų181.8136.2 Ų136.285%0.8573%0.729SS**  152154.183.5-102.5-164.4-160.500115
2490P34.3Very low26.9Very low108.2 Ų108.2135.4 Ų135.470%0.70373%0.731SS**  trans-122.4156.6-153.539.4-26.8000116.1
2491I26.3Very low26.8Very low169.8 Ų169.8136.5 Ų136.587%0.87173%0.731SS**  trans-167.8138.9164.5-70.5141.9000107.1
2492G26.1Very low26.8Very low61.8 Ų61.8132.8 Ų132.864%0.63772%0.722SS**  cis144.5147.66.700000109.8
2493L25.9Very low26.6Very low160.8 Ų160.8133.2 Ų133.284%0.84273%0.729SS**  trans144139.5135.1-74.2159.3000111.4
2494L24Very low26.5Very low140.8 Ų140.8132.2 Ų132.274%0.73773%0.731SS**  79.6115.571.9-80.5166.3000115
2495T26.4Very low26.7Very low121.8 Ų121.8131.6 Ų131.675%0.74772%0.724SS**  -168.6126.571.322.10000109.8
2496Q25.1Very low26.5Very low168.8 Ų168.8129.8 Ų129.879%0.78972%0.722SS**  23.6138.2128.1-68.1173.1-15.200111.8
2497S25Very low26.4Very low96.8 Ų96.8128.6 Ų128.668%0.67772%0.722SS**  cis178.7162.729.341.10000109.1
2498S25.5Very low26.4Very low93.4 Ų93.4129.5 Ų129.565%0.65372%0.721SS**  trans57.1128.513261.80000118.5Y2501 S2502S2498-Y2501 CarbonylContact O-C 3.55Å; S2498-Y2501 WeakPolarHBondContact O-CA 3.4Å; S2498-Y2501 PolarHBondContact O-N 2.92Å; S2498-S2502 PolarHBondContact O-N 3.1Å
2499E24.8Very low26.4Very low155.8 Ų155.8129.9 Ų129.973%0.72872%0.72SS**  -120.5139.6119.9-97.6158.2-163.400111.7Y2501 S2502E2499-Y2501 HydrophobicContact CG-CD1 3.77Å; E2499-Y2501 HydrophobicContact CG-CE1 4.33Å; E2499-Y2501 HydrophobicContact CG-CG 4.31Å; E2499-S2502 WeakPolarHBondContact OE1-CA 3.5Å; E2499-S2502 PolarHBondContact OE1-N 2.88Å; E2499-S2502 VanDerWaalsContact OE1-N 3.15Å
2500S24.7Very low26.4Very low95.8 Ų95.8127.3 Ų127.367%0.6772%0.716SS**  91149.2114.264.60000116.7
2501Y27.1Very low25.9Very low179.6 Ų179.6128.7 Ų128.770%0.70472%0.717SS**  trans-105.2131177.5-73.5-87.4000115.7T2287 S2498 E2499T2287-Y2501 HydrophobicContact CG2-CE1 4.49Å; S2498-Y2501 CarbonylContact O-C 3.55Å; S2498-Y2501 WeakPolarHBondContact O-CA 3.4Å; S2498-Y2501 PolarHBondContact O-N 2.92Å; E2499-Y2501 HydrophobicContact CG-CD1 3.77Å; E2499-Y2501 HydrophobicContact CG-CE1 4.33Å; E2499-Y2501 HydrophobicContact CG-CG 4.31Å
2502S26.2Very low26Very low85.4 Ų85.4126.7 Ų126.760%0.59771%0.713SS**  70.3120.6102.272.80000120.3S2498 E2499S2498-S2502 PolarHBondContact O-N 3.1Å; E2499-S2502 WeakPolarHBondContact OE1-CA 3.5Å; E2499-S2502 PolarHBondContact OE1-N 2.88Å; E2499-S2502 VanDerWaalsContact OE1-N 3.15Å
2503N27Very low26.1Very low145.8 Ų145.8132.2 Ų132.278%0.7872%0.723SS**  trans117.1140.2133.2-74.3-38.9000118.4
2504L26.1Very low26.4Very low135.6 Ų135.6130.2 Ų130.271%0.7172%0.719SS**  trans-101.8167.9175.9-92.878.6000116I2166 V2506I2166-L2504 HydrophobicContact CD1-CD2 4.27Å; I2166-L2504 HydrophobicContact CG2-CB 3.9Å; I2166-L2504 HydrophobicContact CG2-CD2 4.03Å; L2504-V2506 HydrophobicContact CB-CG2 4.14Å; L2504-V2506 HydrophobicContact CD2-CG2 3.81Å
2505P30.8Very low26.4Very low95.8 Ų95.8129 Ų12962%0.62272%0.721SS**  trans-111165.1146.737.4-22.7000115.5I2166 I2167I2166-P2505 HydrophobicContact CB-CB 4.5Å; I2166-P2505 HydrophobicContact CG2-CB 3.39Å; I2167-P2505 VanDerWaalsContact O-CA 3.22Å; I2167-P2505 WeakPolarHBondContact O-CA 3.47Å; I2167-P2505 WeakPolarHBondContact O-CB 3.23Å; I2167-P2505 WeakPolarHBondContact O-CG 3.46Å
2506V25.8Very low26.4Very low107.8 Ų107.8130.3 Ų130.365%0.65372%0.723SS**  122.1139.6122.6-155.30000113.3I2166 I2167 S2168 L2504 K2508I2166-V2506 HydrophobicContact CB-CG2 4.37Å; I2166-V2506 HydrophobicContact CG2-CG1 4.32Å; I2166-V2506 WeakPolarHBondContact O-CG2 3.46Å; I2166-V2506 PolarHBondContact O-N 3.17Å; I2166-V2506 VanDerWaalsContact O-N 3.08Å; I2167-V2506 CarbonylContact C-O 3.49Å; I2167-V2506 PolarHBondContact O-N 2.92Å; S2168-V2506 WeakPolarHBondContact CA-O 3.42Å; S2168-V2506 WeakPolarHBondContact CB-O 3.4Å; S2168-V2506 PolarHBondContact N-O 3.09Å; L2504-V2506 HydrophobicContact CB-CG2 4.14Å; L2504-V2506 HydrophobicContact CD2-CG2 3.81Å; V2506-K2508 HydrophobicContact CG1-CG 4.21Å
2507I26.4Very low26.4Very low131.4 Ų131.4129 Ų12967%0.67472%0.722SS**  trans126.6119.9146.3-72.1175.5000114.3S2168S2168-I2507 VanDerWaalsContact O-CB 3.28Å; S2168-I2507 WeakPolarHBondContact O-CB 3.27Å; S2168-I2507 VanDerWaalsContact O-CG2 3.28Å; S2168-I2507 WeakPolarHBondContact O-CG2 3.49Å
2508K26.3Very low26.5Very low175.8 Ų175.8129.4 Ų129.476%0.76472%0.72SS**  77128.5111-89.3176.4-172.4178.10119.7V2506V2506-K2508 HydrophobicContact CG1-CG 4.21Å
2509T25.3Very low26.7Very low115.4 Ų115.4130.4 Ų130.471%0.70872%0.719SS**  trans68.9132.5131.7490000118.8
2510V26.1Very low26.8Very low126.2 Ų126.2130.3 Ų130.377%0.76572%0.716SS**  124119124-178.60000115.5
2511N24.1Very low26.9Very low137.8 Ų137.8132.9 Ų132.974%0.73772%0.721SS**  trans39.3147.8145.3-63.12.4000115.7
2512T27.5Very low27Very low128.2 Ų128.2128.6 Ų128.679%0.78772%0.717SS**  162.1137.2118.8310000115.4
2513E28.1Very low27.2Very low177.6 Ų177.6132.9 Ų132.983%0.8373%0.725SS**  trans-25.9157.4151.8-62.8-177.9155.400116.5
2514P31.5Very low27.3Very low119.6 Ų119.6132.2 Ų132.278%0.77772%0.722SS**  trans-116.1162154.738.6-29000114.6
2515C24.4Very low27.4Very low113.6 Ų113.6129.9 Ų129.977%0.76872%0.717SS**  trans-131.7124.9162.3-78.20000113.8
2516N26.7Very low27.5Very low149.8 Ų149.8131.8 Ų131.880%0.80172%0.722SS**  trans53.5128.5139.2-91.9-10.2000115.6
2517N26Very low27.8Very low141.2 Ų141.2132.8 Ų132.876%0.75572%0.724SS**  trans89.7135.6155.6-75.9-25.2000117.5
2518T27.4Very low28.2Very low105.6 Ų105.6134.1 Ų134.165%0.64873%0.726SS**  trans-168.9139.3145.340.90000112.4E2342 E2343E2342-T2518 WeakPolarHBondContact O-CB 3.47Å; E2342-T2518 WeakPolarHBondContact O-CG2 3.37Å; E2343-T2518 HydrophobicContact CB-CG2 4.39Å; E2343-T2518 HydrophobicContact CG-CG2 4.26Å
2519N27.9Very low28.3Very low114.6 Ų114.6131.2 Ų131.261%0.61372%0.719SS**  137.5142.8124-97.3-52.5000116.2E2343 H2344 H2345E2343-N2519 WeakPolarHBondContact O-CA 3.33Å; E2343-N2519 PolarHBondContact O-N 2.78Å; H2344-N2519 CarbonylContact C-O 3.51Å; H2345-N2519 PolarHBondContact N-O 3.41Å
2520K28.5Very low28.6Very low153.4 Ų153.4133.1 Ų133.167%0.66772%0.72SS**  trans82.5136.2141.9-83.4171-173.9171.60116.8E2342 E2343 H2344E2342-K2520 IonicContact OE1-NZ 2.68Å; E2342-K2520 PolarHBondContact OE1-NZ 3.1Å; E2343-K2520 WeakPolarHBondContact O-CB 3.35Å; H2344-K2520 HydrophobicContact CB-CB 4.42Å
2521L26.9Very low28.7Very low150.4 Ų150.4134.2 Ų134.279%0.78772%0.717SS**  157.1139.872.7-139.868.3000111.1
2522S29Very low29Very low88.6 Ų88.6135 Ų13562%0.6272%0.72SS**  127.4158.464.9630000111.5
2523K30.5Very low28.9Very low176.2 Ų176.2134.6 Ų134.677%0.76671%0.714SS**  cis155.6143.641.2-93.7179.2177.8-1730110.9
2524N27.7Very low29Very low131.2 Ų131.2133.7 Ų133.770%0.70271%0.709SS**  82157.1103.5-72.524.9000113.3D2526N2524-D2526 PolarHBondContact ND2-OD1 3.04Å; N2524-D2526 PolarHBondContact ND2-OD2 3.13Å
2525S29.4Very low28.7Very low87.8 Ų87.8133 Ų13361%0.61470%0.703SS**  cis-162.31608.335.70000111.4
2526D32.1Very low28.9Very low136 Ų136137.3 Ų137.373%0.72770%0.704SS**  72.9140.6109.5-39.6-38.8000116.8N2524N2524-D2526 PolarHBondContact ND2-OD1 3.04Å; N2524-D2526 PolarHBondContact ND2-OD2 3.13Å
2527D32Very low28.9Very low129.2 Ų129.2138 Ų13869%0.69170%0.703SS**  cis-162.9157.6-23.6-116.4-23.9000114.6
2528H34.1Very low28.9Very low157.4 Ų157.4141.2 Ų141.273%0.72971%0.706SS**  trans119.3130130.8-90.4-0.3000118.6
2529N29.4Very low28.8Very low114.8 Ų114.8140.4 Ų140.461%0.61471%0.705SS**  trans45.9144.7133-98.8-32.3000118.9
2530Q31Very low28.7Very low156.4 Ų156.4143 Ų14373%0.73171%0.713SS**  trans73.9147.1136.4-67.716616.800119.2
2531Q29.5Very low28.6Very low149.4 Ų149.4143.3 Ų143.370%0.69872%0.717SS**  cis175.8141.810.3-148.9165.79.700111.9N2533Q2531-N2533 PolarHBondContact NE2-ND2 2.78Å; Q2531-N2533 VanDerWaalsContact NE2-ND2 3.19Å; Q2531-N2533 PolarHBondContact NE2-OD1 2.99Å
2532L28.9Very low28.6Very low153 Ų153142.9 Ų142.980%0.80172%0.715SS**  trans88.3124.5136.9-68.3171.3000113.6
2533N26.9Very low28.4Very low121.8 Ų121.8145.4 Ų145.465%0.65172%0.721SS**  66.1150.674.9-84.65.7000114.4Q2531Q2531-N2533 PolarHBondContact NE2-ND2 2.78Å; Q2531-N2533 VanDerWaalsContact NE2-ND2 3.19Å; Q2531-N2533 PolarHBondContact NE2-OD1 2.99Å
2534E29.3Very low28.3Very low157.6 Ų157.6144.7 Ų144.774%0.73672%0.721SS**  -178.4140.6122.2-94.9145.2-129.700115.2Y2536E2534-Y2536 HydrophobicContact CB-CE2 4.25Å; E2534-Y2536 HydrophobicContact CG-CE2 3.87Å
2535T25.8Very low28.2Very low105.2 Ų105.2144.4 Ų144.465%0.64572%0.724SS**  116.9125.8120.9-43.60000113.9Q2537T2535-Q2537 HydrophobicContact CG2-CG 3.95Å
2536Y28.6Very low28.2Very low203.2 Ų203.2146.1 Ų146.180%0.79773%0.73SS**  trans-153.4141.5145.8-76-77.1000112.1E2534E2534-Y2536 HydrophobicContact CB-CE2 4.25Å; E2534-Y2536 HydrophobicContact CG-CE2 3.87Å
2537Q25.4Very low27.9Very low164.4 Ų164.4143.9 Ų143.977%0.76873%0.726SS**  -145.6154.9105.2-83.6-174.2-24.800111.5T2535T2535-Q2537 HydrophobicContact CG2-CG 3.95Å
2538Y26.2Very low27.7Very low210 Ų210146.9 Ų146.982%0.82473%0.733SS**  trans95.8139.4161-91.9-90.8000112.8
2539S25Very low27.4Very low88.8 Ų88.8145.8 Ų145.862%0.62173%0.733SS**  cis127.7140.32.760.40000114.1
2540E27.3Very low27.4Very low169.2 Ų169.2144.5 Ų144.579%0.79174%0.738SS**  trans83.6131.3158.9-70.5-174.9157.900115.7
2541Q25.2Very low27.2Very low158.4 Ų158.4143.5 Ų143.574%0.7474%0.738SS**  107.8138.155.6-96.1-171.317.300113
2542L27Very low27.1Very low142.8 Ų142.8144 Ų14475%0.74874%0.744SS**  trans100.6124.6151.2-80.1165.6000114.8E2544L2542-E2544 HydrophobicContact CD2-CB 3.85Å; L2542-E2544 HydrophobicContact CD2-CG 4.28Å
2543N25.6Very low27Very low140 Ų140141.2 Ų141.275%0.74974%0.737SS**  trans-58.4142.3138.1-76.4-14.7000112.9
2544E27.6Very low27.1Very low162 Ų162140.4 Ų140.476%0.75774%0.741SS**  -176.1119.8122.1-113.5159.7-13900113.3L2542 T2546L2542-E2544 HydrophobicContact CD2-CB 3.85Å; L2542-E2544 HydrophobicContact CD2-CG 4.28Å; E2544-T2546 HydrophobicContact CG-CG2 4.32Å; E2544-T2546 PolarHBondContact O-N 3.22Å
2545T26.9Very low27.1Very low124.2 Ų124.2139.8 Ų139.876%0.76274%0.743SS**  trans37.1115.914159.50000115.9
2546T28.6Very low27.3Very low123.4 Ų123.4139.5 Ų139.576%0.75775%0.745SS**  -155.5132.690.531.20000111.3E2544E2544-T2546 HydrophobicContact CG-CG2 4.32Å; E2544-T2546 PolarHBondContact O-N 3.22Å
2547S26.2Very low27.3Very low90 Ų90135.2 Ų135.263%0.62975%0.745SS**  -33.8132.7128.662.10000113.4
2548F27.8Very low27.5Very low192.6 Ų192.6130.9 Ų130.985%0.84575%0.745SS**  trans-157.2110.6135.3-99.7-71.2000109.6
2549N27.2Very low27.6Very low134.6 Ų134.6130.1 Ų130.172%0.7275%0.746SS**  trans21.6130.6139.8-65.8-21.1000114.1
2550A29.7Very low27.7Very low87.4 Ų87.4134.1 Ų134.172%0.72276%0.755SS**  -135.9119.773.200000111.9
2551N26.8Very low27.8Very low136.2 Ų136.2132.1 Ų132.173%0.72875%0.754SS**  trans-19.8140.6157.5-64.8-27.9000113.5
2552L27.3Very low27.8Very low158.8 Ų158.8131.9 Ų131.983%0.83176%0.757SS**  151.1129.868.6-93.9164.8000113.6
2553S27.7Very low28.1Very low95 Ų95130.7 Ų130.766%0.66476%0.758SS**  trans61.2121.4156.154.30000116.7
2554S28.9Very low28.2Very low104.6 Ų104.6129.2 Ų129.273%0.73176%0.758SS**  69139.652.770.70000115
2555D28.7Very low28.2Very low145 Ų145125.8 Ų125.878%0.77575%0.752SS**  trans164.7163149.7-78.3-23.6000113
2556S29.6Very low28.4Very low98.8 Ų98.8131.1 Ų131.169%0.69176%0.758SS**  cis152.5148.1-20.760.90000113.9
2557S29.1Very low28.4Very low113.6 Ų113.6133.9 Ų133.979%0.79476%0.76SS**  trans69.7129161.861.10000117.4F2559S2557-F2559 PolarHBondContact O-N 2.92Å
2558G29.3Very low28.7Very low73.2 Ų73.2134.8 Ų134.876%0.75576%0.764SS**  trans169.5120.4151.800000112.5
2559F28Very low28.8Very low194.4 Ų194.4132.6 Ų132.685%0.85376%0.759SS**  57.1127.5126.6-92.3-82.9000117.4S2557 V2561S2557-F2559 PolarHBondContact O-N 2.92Å; F2559-V2561 HydrophobicContact CD1-CG2 4.06Å
2560Q28Very low28.9Very low172.4 Ų172.4134.1 Ų134.181%0.80676%0.761SS**  trans179.1132.1160.2-68.2179.5-18.300113.1
2561V29Very low28.9Very low126.8 Ų126.8136.4 Ų136.477%0.76876%0.757SS**  99.2124.294.8175.50000111.9F2559F2559-V2561 HydrophobicContact CD1-CG2 4.06Å
2562L25.2Very low29.1Very low155 Ų155137.3 Ų137.381%0.81276%0.757SS**  -110.2171.3127.4-77163.1000115.2
2563P32.4Very low29.2Very low117.2 Ų117.2137.9 Ų137.976%0.76175%0.753SS**  cis-122.6-167.3-32.340.9-26.2000115.3
2564S27.8Very low29.3Very low108 Ų108143.8 Ų143.876%0.75576%0.761SS**  trans-117.9161.3173.164.60000117.7
2565S29Very low29.3Very low91.4 Ų91.4148.8 Ų148.864%0.63976%0.764SS**  trans118144.6161.5113.70000116
2566W29.7Very low29.3Very low234 Ų234152 Ų15289%0.88677%0.765SS**  cis-156.6129.849.2-93.66.1000111.9
2567K29.4Very low29.3Very low183.2 Ų183.2153.5 Ų153.580%0.79776%0.764SS**  trans33.6146.1132.3-81.1-175.4179.5174.60113.5
2568P33.2Very low29.3Very low108.6 Ų108.6157.6 Ų157.671%0.70576%0.762SS**  cis-135.3-17217.639.3-21000115.2H2570P2568-H2570 PolarHBondContact O-N 3.28Å
2569I28.3Very low29.3Very low145.4 Ų145.4164.7 Ų164.775%0.74677%0.766SS**  trans45127.1149.2-69.1165.3000115.1Q2571I2569-Q2571 HydrophobicContact CG1-CG 4.24Å; I2569-Q2571 HydrophobicContact CG2-CG 4.06Å
2570H30.6Very low29.3Very low166.2 Ų166.2162.7 Ų162.777%0.76976%0.764SS**  trans-146.1144.2142-113.7-77.7000114.2P2568P2568-H2570 PolarHBondContact O-N 3.28Å
2571Q30.1Very low29.5Very low135.8 Ų135.8165.7 Ų165.764%0.63577%0.768SS**  -143.4146.4125.9-104.6164.1-7.700114.4I2569I2569-Q2571 HydrophobicContact CG1-CG 4.24Å; I2569-Q2571 HydrophobicContact CG2-CG 4.06Å
2572Q30.7Very low29.6Very low155.4 Ų155.4165.6 Ų165.673%0.72677%0.771SS**  -71.3121.9126-72.2173.9500116.4R2574Q2572-R2574 PolarHBondContact O-N 2.81Å
2573F28.6Very low29.7Very low171.6 Ų171.6168.8 Ų168.875%0.75377%0.772SS**  trans-106.1127.9136.1-93.8-78.4000115.4R2575F2573-R2575 HydrophobicContact CD1-CB 4.26Å; F2573-R2575 HydrophobicContact CD1-CG 4.09Å; F2573-R2575 HydrophobicContact CE1-CG 4.35Å
2574R29.7Very low29.6Very low218.8 Ų218.8171.8 Ų171.883%0.82678%0.775SS**  trans-96.197.8152.8-77-169.4178.4-166.41.4115.3Q2572 R2576Q2572-R2574 PolarHBondContact O-N 2.81Å; R2574-R2576 PolarHBondContact O-N 3.16Å; R2574-R2576 VanDerWaalsContact O-N 3.16Å
2575R29.4Very low29.6Very low210.4 Ų210.4174.6 Ų174.679%0.79478%0.779SS**  trans-33.4109.6136.4-72.6179.6170.9-179.9-1.8112.8F2573 I2577F2573-R2575 HydrophobicContact CD1-CB 4.26Å; F2573-R2575 HydrophobicContact CD1-CG 4.09Å; F2573-R2575 HydrophobicContact CE1-CG 4.35Å; R2575-I2577 PolarHBondContact O-N 3.11Å; R2575-I2577 VanDerWaalsContact O-N 3.15Å
2576R28.1Very low29.6Very low211 Ų211176.5 Ų176.580%0.79679%0.786SS**  trans-82.3121.3158.8-82.7-170.4171.7-166-0.9114.4S1893 S1894 R2574 R2578S1893-R2576 PolarHBondContact O-NH1 3.47Å; S1894-R2576 PolarHBondContact O-NH1 2.81Å; S1894-R2576 PolarHBondContact O-NH2 2.89Å; R2574-R2576 PolarHBondContact O-N 3.16Å; R2574-R2576 VanDerWaalsContact O-N 3.16Å; R2576-R2578 PolarHBondContact O-N 3.33Å
2577I29.7Very low29.6Very low131 Ų131170.3 Ų170.367%0.67278%0.779SS**  trans-92.8130.2147.6-75.3166.5000113.8R2575 R2579R2575-I2577 PolarHBondContact O-N 3.11Å; R2575-I2577 VanDerWaalsContact O-N 3.15Å; I2577-R2579 HydrophobicContact CG2-CG 3.84Å; I2577-R2579 PolarHBondContact O-N 3.15Å
2578R29.6Very low29.8Very low200.8 Ų200.8166.2 Ų166.276%0.75877%0.773SS**  trans-78.8114.9162.7-73.8179.8177.3168.4-2.6112.5S1882 K1892 R2576 N2580S1882-R2578 PolarHBondContact O-NH1 3.05Å; K1892-R2578 VanDerWaalsContact CE-O 3.23Å; K1892-R2578 WeakPolarHBondContact CE-O 3.24Å; K1892-R2578 PolarHBondContact NZ-O 3.42Å; R2576-R2578 PolarHBondContact O-N 3.33Å; R2578-N2580 PolarHBondContact O-N 3.16Å
2579R28.9Very low29.6Very low222.2 Ų222.2169.6 Ų169.684%0.83878%0.78SS**  trans100.3138.7150-71177.2175.9133-3.9114.1K1892 I2577 R2581K1892-R2579 PolarHBondContact NZ-O 2.86Å; I2577-R2579 HydrophobicContact CG2-CG 3.84Å; I2577-R2579 PolarHBondContact O-N 3.15Å; R2579-R2581 PolarHBondContact O-N 3.22Å
2580N27.1Very low29.9Very low151.6 Ų151.6167.7 Ų167.781%0.81178%0.779SS**  trans-76147.2152.7-71.6-4000114.4R2578R2578-N2580 PolarHBondContact O-N 3.16Å
2581R32.9Very low30.1Very low234.8 Ų234.8168.6 Ų168.689%0.88678%0.781SS**  trans-60.2148.7159.3-108-178.7-177171.70.6112.4R2579R2579-R2581 PolarHBondContact O-N 3.22Å
2582P30.4Very low30.4Very low125.8 Ų125.8168.5 Ų168.582%0.81778%0.784SS**  trans-109-178132.935.6-30.3000113.5
2583R28.7Very low30.5Very low220.6 Ų220.6166.9 Ų166.983%0.83279%0.786SS**  trans-123.2150.2179.7-130-169.3-117.6-123.63.2111.6
2584Q30.2Very low30.8Very low180.6 Ų180.6164.6 Ų164.684%0.84479%0.788SS**  trans-150.5147.4157.8-80.9173.5-58.600110.9
2585M26.9Very low30.9Very low166.6 Ų166.6158.6 Ų158.682%0.82179%0.786SS**  168.1144.152.2-85.6-179.267.300110.7
2586V29.7Very low31Very low132.4 Ų132.4153.8 Ų153.880%0.80278%0.784SS**  trans64.2125.9160.4-176.10000113.3
2587S29.2Very low31.2Very low104 Ų104152.2 Ų152.273%0.72779%0.785SS**  156.3149.4118.167.10000113.7
2588S33Very low31.2Very low97.6 Ų97.6150.8 Ų150.868%0.68379%0.787SS**  cis-162.8149.847.526.50000113.8
2589E30Very low31.3Very low179.8 Ų179.8148.9 Ų148.984%0.8479%0.792SS**  trans46.5143.9139.6-74.1163.8138.200117.9
2590S34.4Very low31.4Very low104.4 Ų104.4143.5 Ų143.573%0.7379%0.788SS**  167.51518454.20000113.2
2591K34.7Very low31.7Very low184.6 Ų184.6141.6 Ų141.680%0.80378%0.784SS**  trans100.1147.1155-76.8-179.3176.8178.60116
2592D35.7Very low31.7Very low133.8 Ų133.8139.1 Ų139.172%0.71678%0.782SS**  cis-159.915842.3-92.9-38.6000114.6
2593T32.8Very low31.9Very low122.2 Ų122.2138.5 Ų138.575%0.7578%0.781SS**  trans-121.2167.4167.455.30000114.9
2594P35.1Very low32.1Very low123.6 Ų123.6131.5 Ų131.580%0.80378%0.778SS**  cis-139.8161.31.737.4-18.1000117
2595A31.6Very low32.3Very low93.8 Ų93.8129 Ų12978%0.77578%0.775SS**  trans-155.5139.6154.200000115.1H2597A2595-H2597 PolarHBondContact O-N 3.43Å
2596S32.3Very low32.9Very low109 Ų109126 Ų12676%0.76277%0.768SS**  trans-128.4140.1147540000115.4S2598S2596-S2598 PolarHBondContact O-N 2.97Å
2597H31.9Very low33.6Very low176 Ų176123.8 Ų123.882%0.81576%0.756SS**  trans-63.9127.5158.2-72.2-74.7000116A2595A2595-H2597 PolarHBondContact O-N 3.43Å
2598S30.4Very low34.7Very low102.4 Ų102.4124.5 Ų124.572%0.71676%0.756SS**  trans-151.2131.9140.857.10000116.1S2596S2596-S2598 PolarHBondContact O-N 2.97Å
2599N30.9Very low35.5Very low160.2 Ų160.2124.4 Ų124.486%0.85775%0.753SS**  trans-153.8133.4137.6-81-25000114.6
2600S31Very low36.5Very low109.2 Ų109.2119.6 Ų119.676%0.76473%0.733SS**  trans-137.4151.7150.664.60000111.4
2601P34.9Very low37.5Very low111.4 Ų111.4117.2 Ų117.272%0.72372%0.716SS**  trans-105.7150163.137.3-30000112.6S2603P2601-S2603 PolarHBondContact O-N 3.08Å
2602H32.6Very low38.2Very low183 Ų183113.5 Ų113.585%0.84770%0.697SS**  trans-20.1129.9161.5-72.3-54.2000112.8G2604H2602-G2604 PolarHBondContact O-N 3.08Å
2603S33.2Very low39.2Very low112.8 Ų112.8111.9 Ų111.979%0.78969%0.688SS**  trans-136.7100.3147.454.50000110.3P2601 T2605P2601-S2603 PolarHBondContact O-N 3.08Å; S2603-T2605 PolarHBondContact O-N 3.09Å
2604G33.2Very low40.4Very low74.6 Ų74.6110.7 Ų110.777%0.76967%0.674SS**PPolyproline II helixtrans-63.895.9162.600000113.3H2602H2602-G2604 PolarHBondContact O-N 3.08Å
2605T35.8Very low41.1Very low126.6 Ų126.6105.4 Ų105.478%0.77764%0.641SS**PPolyproline II helixtrans-78.1132.9166.312.40000109S2603S2603-T2605 PolarHBondContact O-N 3.09Å
2606P38.1Very low42.1Very low104.6 Ų104.6102.1 Ų102.168%0.67961%0.611SS**PPolyproline II helixtrans-60.8144.8170.228.3-34.4000108.8V2608P2606-V2608 PolarHBondContact O-N 3.06Å; P2606-V2608 VanDerWaalsContact O-N 3.11Å
2607P45.7Very low43.2Very low85.4 Ų85.4101.4 Ų101.456%0.55560%0.599SS**PPolyproline II helixtrans-65.4126.4-179.229.5-34.3000108.8P2609 T2636P2607-P2609 WeakPolarHBondContact O-CD 3.42Å; P2607-T2636 HydrophobicContact CB-CG2 3.64Å; P2607-T2636 HydrophobicContact CG-CG2 3.97Å
2608V50.9Low44.1Very low119.2 Ų119.296.4 Ų96.472%0.72259%0.588SS**PPolyproline II helixtrans-65.1125.8173.6179.90000107.3P2606 L2610 T2636P2606-V2608 PolarHBondContact O-N 3.06Å; P2606-V2608 VanDerWaalsContact O-N 3.11Å; V2608-L2610 PolarHBondContact O-N 3.05Å; V2608-L2610 VanDerWaalsContact O-N 3.1Å; V2608-T2636 WeakPolarHBondContact O-CG2 3.41Å
2609P50.7Low45.1Very low95.6 Ų95.697.1 Ų97.162%0.62158%0.583SS**PPolyproline II helixtrans-62.9125.4173.827-33.4000108.5P2607 S2611P2607-P2609 WeakPolarHBondContact O-CD 3.42Å; P2609-S2611 PolarHBondContact O-N 3.27Å
2610L50.7Low46Very low79.2 Ų79.298.5 Ų98.542%0.41558%0.576SS.*PPolyproline II helixtrans-51135.4177.7-64.4168.4000109.9V2608 E2614 A2615 A2618V2608-L2610 PolarHBondContact O-N 3.05Å; V2608-L2610 VanDerWaalsContact O-N 3.1Å; L2610-E2614 WeakPolarHBondContact CA-OE2 3.35Å; L2610-E2614 HydrophobicContact CB-CB 4.21Å; L2610-E2614 HydrophobicContact CB-CG 4.32Å; L2610-E2614 HydrophobicContact CD2-CB 4.08Å; L2610-E2614 HydrophobicContact CD2-CG 3.98Å; L2610-E2614 WeakPolarHBondContact CD2-OE2 3.25Å; L2610-A2615 HydrophobicContact CB-CB 4.19Å; L2610-A2615 HydrophobicContact CD1-CB 4.46Å; L2610-A2615 WeakPolarHBondContact O-CB 3.23Å; L2610-A2618 HydrophobicContact CD1-CB 4.12Å
2611S56.3Low47Very low53.8 Ų53.897 Ų9738%0.37656%0.559SS.*PPolyproline II helixtrans-62.4160.2173.568.70000110.7P2609 N2613 E2614 A2615P2609-S2611 PolarHBondContact O-N 3.27Å; S2611-N2613 VanDerWaalsContact C-N 3.34Å; S2611-N2613 CarbonylContact O-C 2.74Å; S2611-N2613 PolarHBondContact O-N 3.2Å; S2611-E2614 WeakPolarHBondContact CB-OE1 3.38Å; S2611-E2614 VanDerWaalsContact CB-OE2 3.26Å; S2611-E2614 WeakPolarHBondContact CB-OE2 3.4Å; S2611-E2614 PolarHBondContact N-OE1 3.25Å; S2611-E2614 PolarHBondContact N-OE2 2.89Å; S2611-E2614 CarbonylContact O-C 2.97Å; S2611-E2614 WeakPolarHBondContact O-CA 3.21Å; S2611-E2614 WeakPolarHBondContact O-CB 3.24Å; S2611-E2614 PolarHBondContact O-N 3.01Å; S2611-E2614 VanDerWaalsContact O-N 3.1Å; S2611-E2614 WeakPolarHBondContact OG-CB 3.25Å; S2611-E2614 VanDerWaalsContact OG-CD 3.3Å; S2611-E2614 VanDerWaalsContact OG-CG 3.31Å; S2611-E2614 WeakPolarHBondContact OG-CG 3.21Å; S2611-E2614 PolarHBondContact OG-N 3.1Å; S2611-E2614 PolarHBondContact OG-OE1 3Å; S2611-E2614 PolarHBondContact OG-OE2 3.45Å; S2611-A2615 WeakPolarHBondContact O-CB 3.43Å; S2611-A2615 PolarHBondContact O-N 3.02Å
2612W49.6Very low47.7Very low107.4 Ų107.495.3 Ų95.341%0.40755%0.548SS..Hα-helixtrans-56.8-42.1-177.4-172.676.4000112.2E2614 A2615 T2616 L2623 L2625 P2650 H3194W2612-E2614 PolarHBondContact O-N 3.05Å; W2612-A2615 PolarHBondContact O-N 3.33Å; W2612-T2616 HydrophobicContact CE3-CG2 3.83Å; W2612-T2616 HydrophobicContact CH2-CG2 4.29Å; W2612-T2616 HydrophobicContact CZ2-CG2 4.1Å; W2612-T2616 HydrophobicContact CZ3-CG2 3.55Å; W2612-T2616 PolarHBondContact NE1-OG1 3.47Å; W2612-T2616 VanDerWaalsContact NE1-OG1 3.15Å; W2612-T2616 WeakPolarHBondContact O-CB 3.35Å; W2612-T2616 PolarHBondContact O-N 3.23Å; W2612-T2616 VanDerWaalsContact O-N 3.09Å; W2612-T2616 PolarHBondContact O-OG1 3.12Å; W2612-T2616 VanDerWaalsContact O-OG1 3.09Å; W2612-L2623 HydrophobicContact CH2-CD2 3.96Å; W2612-L2623 HydrophobicContact CZ2-CD2 4.45Å; W2612-L2625 PolarHBondContact NE1-O 2.77Å; W2612-P2650 HydrophobicContact CZ2-CG 3.89Å; W2612-H3194 AromaticContact CD1-CD2 3.58Å; W2612-H3194 AromaticContact CD1-CE1 3.74Å; W2612-H3194 AromaticContact CD1-CG 3.7Å; W2612-H3194 AromaticContact CD1-ND1 3.81Å; W2612-H3194 AromaticContact CD1-NE2 3.62Å; W2612-H3194 AromaticContact CD2-CD2 3.81Å; W2612-H3194 AromaticContact CD2-NE2 3.98Å; W2612-H3194 AromaticContact CE2-CD2 3.97Å; W2612-H3194 AromaticContact CE2-ND1 3.66Å; W2612-H3194 AromaticContact CG-CD2 3.57Å; W2612-H3194 AromaticContact CG-CE1 3.92Å; W2612-H3194 AromaticContact CG-NE2 3.92Å; W2612-H3194 AromaticContact NE1-CD2 3.77Å; W2612-H3194 AromaticContact NE1-CE1 3.83Å; W2612-H3194 AromaticContact NE1-CG 3.39Å; W2612-H3194 AromaticContact NE1-ND1 3.44Å; W2612-H3194 PolarHBondContact NE1-ND1 2.71Å
2613N55.3Low48.5Very low99.4 Ų99.493.8 Ų93.853%0.53255%0.545SS..Hα-helixtrans-60.7-52.3174.5-62.2-5.2000111.6S2611 A2615 T2616 D2617S2611-N2613 VanDerWaalsContact C-N 3.34Å; S2611-N2613 CarbonylContact O-C 2.74Å; S2611-N2613 PolarHBondContact O-N 3.2Å; N2613-A2615 VanDerWaalsContact C-N 3.31Å; N2613-A2615 PolarHBondContact O-N 3.16Å; N2613-T2616 WeakPolarHBondContact CA-OG1 2.99Å; N2613-T2616 CarbonylContact O-C 3.57Å; N2613-T2616 WeakPolarHBondContact O-CB 3.22Å; N2613-T2616 PolarHBondContact O-N 3.12Å; N2613-T2616 VanDerWaalsContact O-N 3.14Å; N2613-T2616 PolarHBondContact O-OG1 3.15Å; N2613-D2617 VanDerWaalsContact O-CB 3.31Å; N2613-D2617 WeakPolarHBondContact O-CB 3.35Å; N2613-D2617 VanDerWaalsContact O-CG 3.27Å; N2613-D2617 PolarHBondContact O-N 3.06Å
2614E57.6Low49.4Very low98.2 Ų98.289.8 Ų89.846%0.45952%0.523SS..Hα-helixtrans-61-37.1179.9-108169178.100112.7L2610 S2611 W2612 D2617 A2618L2610-E2614 WeakPolarHBondContact CA-OE2 3.35Å; L2610-E2614 HydrophobicContact CB-CB 4.21Å; L2610-E2614 HydrophobicContact CB-CG 4.32Å; L2610-E2614 HydrophobicContact CD2-CB 4.08Å; L2610-E2614 HydrophobicContact CD2-CG 3.98Å; L2610-E2614 WeakPolarHBondContact CD2-OE2 3.25Å; S2611-E2614 WeakPolarHBondContact CB-OE1 3.38Å; S2611-E2614 VanDerWaalsContact CB-OE2 3.26Å; S2611-E2614 WeakPolarHBondContact CB-OE2 3.4Å; S2611-E2614 PolarHBondContact N-OE1 3.25Å; S2611-E2614 PolarHBondContact N-OE2 2.89Å; S2611-E2614 CarbonylContact O-C 2.97Å; S2611-E2614 WeakPolarHBondContact O-CA 3.21Å; S2611-E2614 WeakPolarHBondContact O-CB 3.24Å; S2611-E2614 PolarHBondContact O-N 3.01Å; S2611-E2614 VanDerWaalsContact O-N 3.1Å; S2611-E2614 WeakPolarHBondContact OG-CB 3.25Å; S2611-E2614 VanDerWaalsContact OG-CD 3.3Å; S2611-E2614 VanDerWaalsContact OG-CG 3.31Å; S2611-E2614 WeakPolarHBondContact OG-CG 3.21Å; S2611-E2614 PolarHBondContact OG-N 3.1Å; S2611-E2614 PolarHBondContact OG-OE1 3Å; S2611-E2614 PolarHBondContact OG-OE2 3.45Å; W2612-E2614 PolarHBondContact O-N 3.05Å; E2614-D2617 CarbonylContact O-C 3.59Å; E2614-D2617 PolarHBondContact O-N 3.48Å; E2614-A2618 WeakPolarHBondContact O-CB 3.38Å; E2614-A2618 PolarHBondContact O-N 3.1Å
2615A51.4Low50.5Low12.2 Ų12.289.1 Ų89.110%0.10150%0.501CS..Hα-helixtrans-69.9-39.5175.700000112.3L2610 S2611 W2612 N2613 D2617 A2618 L2619 P2627 A2638L2610-A2615 HydrophobicContact CB-CB 4.19Å; L2610-A2615 HydrophobicContact CD1-CB 4.46Å; L2610-A2615 WeakPolarHBondContact O-CB 3.23Å; S2611-A2615 WeakPolarHBondContact O-CB 3.43Å; S2611-A2615 PolarHBondContact O-N 3.02Å; W2612-A2615 PolarHBondContact O-N 3.33Å; N2613-A2615 VanDerWaalsContact C-N 3.31Å; N2613-A2615 PolarHBondContact O-N 3.16Å; A2615-D2617 PolarHBondContact O-N 2.9Å; A2615-A2618 PolarHBondContact O-N 3.16Å; A2615-L2619 VanDerWaalsContact O-CB 3.23Å; A2615-L2619 WeakPolarHBondContact O-CB 3.38Å; A2615-L2619 WeakPolarHBondContact O-CD1 3.5Å; A2615-L2619 WeakPolarHBondContact O-CG 3.29Å; A2615-L2619 PolarHBondContact O-N 3.37Å; A2615-P2627 HydrophobicContact CB-CG 4.2Å; A2615-A2638 HydrophobicContact CB-CB 3.79Å
2616T52.6Low51.5Low24.2 Ų24.285.2 Ų85.215%0.14848%0.475CS..Hα-helixtrans-67.8-41.2174.2-260000111.5W2612 N2613 R2620 L2621 L2625W2612-T2616 HydrophobicContact CE3-CG2 3.83Å; W2612-T2616 HydrophobicContact CH2-CG2 4.29Å; W2612-T2616 HydrophobicContact CZ2-CG2 4.1Å; W2612-T2616 HydrophobicContact CZ3-CG2 3.55Å; W2612-T2616 PolarHBondContact NE1-OG1 3.47Å; W2612-T2616 VanDerWaalsContact NE1-OG1 3.15Å; W2612-T2616 WeakPolarHBondContact O-CB 3.35Å; W2612-T2616 PolarHBondContact O-N 3.23Å; W2612-T2616 VanDerWaalsContact O-N 3.09Å; W2612-T2616 PolarHBondContact O-OG1 3.12Å; W2612-T2616 VanDerWaalsContact O-OG1 3.09Å; N2613-T2616 WeakPolarHBondContact CA-OG1 2.99Å; N2613-T2616 CarbonylContact O-C 3.57Å; N2613-T2616 WeakPolarHBondContact O-CB 3.22Å; N2613-T2616 PolarHBondContact O-N 3.12Å; N2613-T2616 VanDerWaalsContact O-N 3.14Å; N2613-T2616 PolarHBondContact O-OG1 3.15Å; T2616-R2620 VanDerWaalsContact CG2-CZ 3.41Å; T2616-R2620 CarbonylContact O-C 3.6Å; T2616-R2620 VanDerWaalsContact O-CA 3.28Å; T2616-R2620 WeakPolarHBondContact O-CA 3.44Å; T2616-R2620 WeakPolarHBondContact O-CD 3.4Å; T2616-R2620 WeakPolarHBondContact O-CG 3.4Å; T2616-R2620 PolarHBondContact O-N 3.03Å; T2616-L2621 HydrophobicContact CG2-CB 4.22Å; T2616-L2621 VanDerWaalsContact CG2-O 3.29Å; T2616-L2621 WeakPolarHBondContact CG2-O 3.26Å; T2616-L2621 PolarHBondContact O-N 2.89Å; T2616-L2621 VanDerWaalsContact O-N 3.09Å; T2616-L2625 PolarHBondContact OG1-O 2.98Å
2617D53.8Low52.2Low93.6 Ų93.683.1 Ų83.150%0.50146%0.461SS..Hα-helixtrans-74.1-36.3180-74.8-27.8000112.9N2613 E2614 A2615 L2619 R2620N2613-D2617 VanDerWaalsContact O-CB 3.31Å; N2613-D2617 WeakPolarHBondContact O-CB 3.35Å; N2613-D2617 VanDerWaalsContact O-CG 3.27Å; N2613-D2617 PolarHBondContact O-N 3.06Å; E2614-D2617 CarbonylContact O-C 3.59Å; E2614-D2617 PolarHBondContact O-N 3.48Å; A2615-D2617 PolarHBondContact O-N 2.9Å; D2617-L2619 VanDerWaalsContact C-N 3.26Å; D2617-L2619 PolarHBondContact O-N 3.2Å; D2617-R2620 WeakPolarHBondContact O-CB 3.47Å; D2617-R2620 PolarHBondContact O-N 2.95Å; D2617-R2620 VanDerWaalsContact O-N 3.08Å; D2617-R2620 WeakPolarHBondContact OD1-CD 3.4Å; D2617-R2620 IonicContact OD1-CZ 3.47Å; D2617-R2620 IonicContact OD1-NE 3.77Å; D2617-R2620 IonicContact OD1-NH1 3.2Å; D2617-R2620 PolarHBondContact OD1-NH1 3.03Å
2618A52Low52.7Low71 Ų7182.5 Ų82.559%0.58746%0.456SS*.Hα-helixtrans-72-27.8177.900000113L2610 E2614 A2615L2610-A2618 HydrophobicContact CD1-CB 4.12Å; E2614-A2618 WeakPolarHBondContact O-CB 3.38Å; E2614-A2618 PolarHBondContact O-N 3.1Å; A2615-A2618 PolarHBondContact O-N 3.16Å
2619L51.6Low53Low118.2 Ų118.283.1 Ų83.162%0.61945%0.449SS*.THydrogen-bonded Turntrans-100.93.6179.4-66.6169.8000113.6A2615 D2617 L2621 P2627A2615-L2619 VanDerWaalsContact O-CB 3.23Å; A2615-L2619 WeakPolarHBondContact O-CB 3.38Å; A2615-L2619 WeakPolarHBondContact O-CD1 3.5Å; A2615-L2619 WeakPolarHBondContact O-CG 3.29Å; A2615-L2619 PolarHBondContact O-N 3.37Å; D2617-L2619 VanDerWaalsContact C-N 3.26Å; D2617-L2619 PolarHBondContact O-N 3.2Å; L2619-L2621 VanDerWaalsContact C-N 3.28Å; L2619-L2621 HydrophobicContact CB-CD1 4.3Å; L2619-L2621 HydrophobicContact CB-CD2 4.35Å; L2619-L2621 HydrophobicContact CB-CG 3.97Å; L2619-L2621 HydrophobicContact CD1-CD1 4.17Å; L2619-L2621 PolarHBondContact O-N 3.18Å; L2619-P2627 HydrophobicContact CD1-CB 3.71Å; L2619-P2627 HydrophobicContact CD1-CG 3.52Å
2620R50.2Low53.4Low189.2 Ų189.282.3 Ų82.371%0.71444%0.439SS*.THydrogen-bonded Turntrans8.150.9179.3-70.1177.8170.8167.2-3.1113.3T2616 D2617T2616-R2620 VanDerWaalsContact CG2-CZ 3.41Å; T2616-R2620 CarbonylContact O-C 3.6Å; T2616-R2620 VanDerWaalsContact O-CA 3.28Å; T2616-R2620 WeakPolarHBondContact O-CA 3.44Å; T2616-R2620 WeakPolarHBondContact O-CD 3.4Å; T2616-R2620 WeakPolarHBondContact O-CG 3.4Å; T2616-R2620 PolarHBondContact O-N 3.03Å; D2617-R2620 WeakPolarHBondContact O-CB 3.47Å; D2617-R2620 PolarHBondContact O-N 2.95Å; D2617-R2620 VanDerWaalsContact O-N 3.08Å; D2617-R2620 WeakPolarHBondContact OD1-CD 3.4Å; D2617-R2620 IonicContact OD1-CZ 3.47Å; D2617-R2620 IonicContact OD1-NE 3.77Å; D2617-R2620 IonicContact OD1-NH1 3.2Å; D2617-R2620 PolarHBondContact OD1-NH1 3.03Å
2621L51.5Low53.7Low76.8 Ų76.883.4 Ų83.440%0.40245%0.451SS..  trans-93.4147.5173.6-68.9179.4000111.2T2616 L2619 L2623 L2625 P2627 I3190T2616-L2621 HydrophobicContact CG2-CB 4.22Å; T2616-L2621 VanDerWaalsContact CG2-O 3.29Å; T2616-L2621 WeakPolarHBondContact CG2-O 3.26Å; T2616-L2621 PolarHBondContact O-N 2.89Å; T2616-L2621 VanDerWaalsContact O-N 3.09Å; L2619-L2621 VanDerWaalsContact C-N 3.28Å; L2619-L2621 HydrophobicContact CB-CD1 4.3Å; L2619-L2621 HydrophobicContact CB-CD2 4.35Å; L2619-L2621 HydrophobicContact CB-CG 3.97Å; L2619-L2621 HydrophobicContact CD1-CD1 4.17Å; L2619-L2621 PolarHBondContact O-N 3.18Å; L2621-L2623 PolarHBondContact O-N 3.19Å; L2621-L2625 HydrophobicContact CB-CB 4.23Å; L2621-L2625 HydrophobicContact CD1-CB 4.44Å; L2621-P2627 HydrophobicContact CD1-CB 4.34Å; L2621-P2627 HydrophobicContact CD1-CG 3.76Å; L2621-I3190 HydrophobicContact CD2-CG2 4.05Å; L2621-I3190 VanDerWaalsContact CD2-O 3.31Å; L2621-I3190 WeakPolarHBondContact CD2-O 3.34Å
2622P48.7Very low53.9Low76 Ų7685.7 Ų85.749%0.49446%0.459SS..  trans-68.6140.3-171.4-3.76.5000113.5G2624 L2625 P2956 A2957P2622-G2624 PolarHBondContact O-N 3.25Å; P2622-G2624 VanDerWaalsContact O-N 3.13Å; P2622-L2625 HydrophobicContact CB-CD1 4.24Å; P2622-L2625 HydrophobicContact CG-CD1 4.15Å; P2622-L2625 WeakPolarHBondContact O-CB 3.33Å; P2622-L2625 PolarHBondContact O-N 3.12Å; P2622-P2956 HydrophobicContact CB-CB 4.32Å; P2622-P2956 HydrophobicContact CG-CB 4.47Å; P2622-A2957 HydrophobicContact CB-CB 3.97Å
2623L50Low53.7Low150.8 Ų150.887 Ų8779%0.7948%0.481SS*.THydrogen-bonded Turntrans-62.8109.1176.4-74.4165.2000111.9W2612 L2621 A2957W2612-L2623 HydrophobicContact CH2-CD2 3.96Å; W2612-L2623 HydrophobicContact CZ2-CD2 4.45Å; L2621-L2623 PolarHBondContact O-N 3.19Å; L2623-A2957 WeakPolarHBondContact O-CB 3.36Å
2624G52.4Low53.6Low30.8 Ų30.885.3 Ų85.332%0.31849%0.488SS..THydrogen-bonded Turntrans132.115-177.900000115.1P2622 I2626 H3194P2622-G2624 PolarHBondContact O-N 3.25Å; P2622-G2624 VanDerWaalsContact O-N 3.13Å; G2624-I2626 VanDerWaalsContact C-N 3.3Å; G2624-I2626 PolarHBondContact O-N 3.24Å; G2624-H3194 VanDerWaalsContact O-CB 3.31Å; G2624-H3194 WeakPolarHBondContact O-CB 3.37Å; G2624-H3194 PolarHBondContact O-N 3.31Å
2625L55.9Low53.4Low59.6 Ų59.682.7 Ų82.731%0.31248%0.48SS..EExtended strand (participates in β ladder)trans-81127167.6-71.7175.1000112.8W2612 T2616 L2621 P2622 A2957 A2960 T2961 I3190 R3192W2612-L2625 PolarHBondContact NE1-O 2.77Å; T2616-L2625 PolarHBondContact OG1-O 2.98Å; L2621-L2625 HydrophobicContact CB-CB 4.23Å; L2621-L2625 HydrophobicContact CD1-CB 4.44Å; P2622-L2625 HydrophobicContact CB-CD1 4.24Å; P2622-L2625 HydrophobicContact CG-CD1 4.15Å; P2622-L2625 WeakPolarHBondContact O-CB 3.33Å; P2622-L2625 PolarHBondContact O-N 3.12Å; L2625-A2957 HydrophobicContact CD1-CB 4.38Å; L2625-A2957 HydrophobicContact CD2-CB 4.22Å; L2625-A2957 HydrophobicContact CG-CB 3.91Å; L2625-A2960 HydrophobicContact CD1-CB 4.25Å; L2625-T2961 HydrophobicContact CD2-CG2 3.78Å; L2625-T2961 WeakPolarHBondContact CD2-OG1 3.43Å; L2625-I3190 HydrophobicContact CD1-CG2 3.99Å; L2625-R3192 CarbonylContact C-O 3.56Å; L2625-R3192 WeakPolarHBondContact CA-O 3.33Å; L2625-R3192 WeakPolarHBondContact CD2-O 3.29Å
2626I57Low53.5Low43.4 Ų43.486.4 Ų86.422%0.22350%0.502CS..EExtended strand (participates in β ladder)trans-130136.8159.6-52.2168.6000107.7G2624 T2628 A2638 P2639 G2640 G3191 R3192 H3194G2624-I2626 VanDerWaalsContact C-N 3.3Å; G2624-I2626 PolarHBondContact O-N 3.24Å; I2626-T2628 PolarHBondContact O-N 2.89Å; I2626-A2638 HydrophobicContact CB-CB 4.49Å; I2626-A2638 HydrophobicContact CG2-CB 3.78Å; I2626-P2639 WeakPolarHBondContact CD1-O 3.29Å; I2626-G2640 VanDerWaalsContact CD1-O 3.28Å; I2626-G2640 WeakPolarHBondContact CD1-O 3.47Å; I2626-G3191 CarbonylContact O-C 3.44Å; I2626-G3191 VanDerWaalsContact O-CA 3.29Å; I2626-G3191 WeakPolarHBondContact O-CA 3.44Å; I2626-R3192 HydrophobicContact CD1-CG 3.83Å; I2626-R3192 HydrophobicContact CG1-CG 3.57Å; I2626-R3192 VanDerWaalsContact CG1-O 3.3Å; I2626-R3192 WeakPolarHBondContact CG1-O 3.43Å; I2626-R3192 PolarHBondContact N-O 3.07Å; I2626-R3192 PolarHBondContact O-N 2.98Å; I2626-H3194 HydrophobicContact CD1-CB 3.92Å; I2626-H3194 HydrophobicContact CG1-CB 3.78Å; I2626-H3194 HydrophobicContact CG2-CB 4.23Å
2627P53.4Low53.7Low61 Ų6188.1 Ų88.140%0.39651%0.51SS..PPolyproline II helixtrans-59.5141.6167-5.711.1000111.3A2615 L2619 L2621 F2629 A2638A2615-P2627 HydrophobicContact CB-CG 4.2Å; L2619-P2627 HydrophobicContact CD1-CB 3.71Å; L2619-P2627 HydrophobicContact CD1-CG 3.52Å; L2621-P2627 HydrophobicContact CD1-CB 4.34Å; L2621-P2627 HydrophobicContact CD1-CG 3.76Å; P2627-F2629 HydrophobicContact CB-CB 3.92Å; P2627-F2629 HydrophobicContact CG-CB 3.68Å; P2627-F2629 HydrophobicContact CG-CG 4.35Å; P2627-F2629 PolarHBondContact O-N 3Å; P2627-A2638 HydrophobicContact CG-CB 3.89Å
2628T55.7Low53.9Low72.6 Ų72.685.5 Ų85.545%0.44550%0.502SS..PPolyproline II helixtrans-62.6119174.4-2.50000110.9I2626 I2630 Q3189I2626-T2628 PolarHBondContact O-N 2.89Å; T2628-I2630 WeakPolarHBondContact O-CG1 3.21Å; T2628-I2630 PolarHBondContact O-N 3.23Å; T2628-I2630 VanDerWaalsContact O-N 3.12Å; T2628-Q3189 HydrophobicContact CG2-CB 4.01Å; T2628-Q3189 HydrophobicContact CG2-CG 4.03Å; T2628-Q3189 WeakPolarHBondContact CG2-O 3.43Å; T2628-Q3189 VanDerWaalsContact CG2-OE1 3.23Å; T2628-Q3189 WeakPolarHBondContact OG1-CB 3.43Å; T2628-Q3189 VanDerWaalsContact OG1-CG 3.27Å; T2628-Q3189 WeakPolarHBondContact OG1-CG 3.31Å; T2628-Q3189 PolarHBondContact OG1-O 3.16Å
2629F56.4Low54.2Low131.4 Ų131.485.4 Ų85.458%0.57650%0.495SS*.PPolyproline II helixtrans-74.4113.8-175.9-176.1-88.6000110.4P2627 P2631 N2637P2627-F2629 HydrophobicContact CB-CB 3.92Å; P2627-F2629 HydrophobicContact CG-CB 3.68Å; P2627-F2629 HydrophobicContact CG-CG 4.35Å; P2627-F2629 PolarHBondContact O-N 3Å; F2629-P2631 HydrophobicContact CD1-CB 4.43Å; F2629-P2631 HydrophobicContact CE1-CB 4.21Å; F2629-P2631 VanDerWaalsContact O-CD 3.3Å; F2629-P2631 WeakPolarHBondContact O-CD 3.4Å; F2629-N2637 WeakPolarHBondContact CA-OD1 3.46Å; F2629-N2637 HydrophobicContact CD2-CB 3.77Å; F2629-N2637 VanDerWaalsContact CD2-CG 3.46Å; F2629-N2637 VanDerWaalsContact CD2-OD1 3.27Å; F2629-N2637 WeakPolarHBondContact CD2-OD1 3.17Å; F2629-N2637 HydrophobicContact CE2-CB 3.93Å; F2629-N2637 VanDerWaalsContact CE2-ND2 3.34Å; F2629-N2637 WeakPolarHBondContact CE2-ND2 3.45Å
2630I58.9Low54.5Low78.8 Ų78.882.4 Ų82.440%0.40449%0.492SS..  trans-85.4115.1175.3-56.4175.2000107.4T2628 N2632 S2635 N2637T2628-I2630 WeakPolarHBondContact O-CG1 3.21Å; T2628-I2630 PolarHBondContact O-N 3.23Å; T2628-I2630 VanDerWaalsContact O-N 3.12Å; I2630-N2632 VanDerWaalsContact C-N 3.28Å; I2630-N2632 HydrophobicContact CG2-CB 4.06Å; I2630-N2632 PolarHBondContact O-N 3.31Å; I2630-N2632 VanDerWaalsContact O-N 3.13Å; I2630-S2635 WeakPolarHBondContact CG2-OG 3.45Å; I2630-S2635 PolarHBondContact O-OG 3.02Å; I2630-S2635 VanDerWaalsContact O-OG 3.13Å; I2630-N2637 PolarHBondContact N-OD1 3.29Å; I2630-N2637 PolarHBondContact O-ND2 3.33Å; I2630-N2637 PolarHBondContact O-OD1 2.97Å
2631P57.7Low55.1Low102.8 Ų102.877.2 Ų77.267%0.66848%0.482SS*.  trans-77.59.9-174.232.7-36.8000114.1F2629 P2633F2629-P2631 HydrophobicContact CD1-CB 4.43Å; F2629-P2631 HydrophobicContact CE1-CB 4.21Å; F2629-P2631 VanDerWaalsContact O-CD 3.3Å; F2629-P2631 WeakPolarHBondContact O-CD 3.4Å; P2631-P2633 WeakPolarHBondContact O-CD 3.33Å
2632N59.6Low55.7Low102 Ų10275.9 Ų75.955%0.54548%0.477SS..SBendtrans-83.7123.6-176.6-69.9-6000110.8I2630 G2634 S2635I2630-N2632 VanDerWaalsContact C-N 3.28Å; I2630-N2632 HydrophobicContact CG2-CB 4.06Å; I2630-N2632 PolarHBondContact O-N 3.31Å; I2630-N2632 VanDerWaalsContact O-N 3.13Å; N2632-G2634 PolarHBondContact O-N 3.04Å; N2632-S2635 WeakPolarHBondContact O-CB 3.4Å; N2632-S2635 PolarHBondContact O-N 3.09Å; N2632-S2635 VanDerWaalsContact O-N 3.16Å; N2632-S2635 PolarHBondContact O-OG 3.09Å
2633P47.2Very low56.4Low134.2 Ų134.275.9 Ų75.987%0.87148%0.483SS*.THydrogen-bonded Turntrans-65.8111.9175.727.1-33.4000110.2A1935 P2631A1935-P2633 WeakPolarHBondContact CB-O 3.23Å; P2631-P2633 WeakPolarHBondContact O-CD 3.33Å
2634G52.5Low57.1Low64.8 Ų64.873.2 Ų73.267%0.66846%0.463SS*.THydrogen-bonded Turntrans131.4-20.1-178.700000114.6D1934 N2632D1934-G2634 WeakPolarHBondContact CB-O 3.07Å; N2632-G2634 PolarHBondContact O-N 3.04Å
2635S53.5Low57.6Low43 Ų4377.2 Ų77.230%0.30148%0.481SS..  trans-84.4125.4172.151.50000111.6I2630 N2632 N2637I2630-S2635 WeakPolarHBondContact CG2-OG 3.45Å; I2630-S2635 PolarHBondContact O-OG 3.02Å; I2630-S2635 VanDerWaalsContact O-OG 3.13Å; N2632-S2635 WeakPolarHBondContact O-CB 3.4Å; N2632-S2635 PolarHBondContact O-N 3.09Å; N2632-S2635 VanDerWaalsContact O-N 3.16Å; N2632-S2635 PolarHBondContact O-OG 3.09Å; S2635-N2637 PolarHBondContact O-N 3.19Å; S2635-N2637 VanDerWaalsContact O-N 3.12Å; S2635-N2637 PolarHBondContact O-ND2 3.14Å; S2635-N2637 PolarHBondContact OG-ND2 2.91Å
2636T52.3Low57.8Low90.2 Ų90.277.7 Ų77.755%0.55348%0.484SS*.  trans-73.7101.7173.243.40000110.7P2607 V2608 A2638P2607-T2636 HydrophobicContact CB-CG2 3.64Å; P2607-T2636 HydrophobicContact CG-CG2 3.97Å; V2608-T2636 WeakPolarHBondContact O-CG2 3.41Å; T2636-A2638 PolarHBondContact O-N 3.3Å
2637N57Low57.9Low60 Ų6080.5 Ų80.532%0.32151%0.506SS..PPolyproline II helixtrans-67.7137169.2-67.5-51.6000110.2F2629 I2630 S2635F2629-N2637 WeakPolarHBondContact CA-OD1 3.46Å; F2629-N2637 HydrophobicContact CD2-CB 3.77Å; F2629-N2637 VanDerWaalsContact CD2-CG 3.46Å; F2629-N2637 VanDerWaalsContact CD2-OD1 3.27Å; F2629-N2637 WeakPolarHBondContact CD2-OD1 3.17Å; F2629-N2637 HydrophobicContact CE2-CB 3.93Å; F2629-N2637 VanDerWaalsContact CE2-ND2 3.34Å; F2629-N2637 WeakPolarHBondContact CE2-ND2 3.45Å; I2630-N2637 PolarHBondContact N-OD1 3.29Å; I2630-N2637 PolarHBondContact O-ND2 3.33Å; I2630-N2637 PolarHBondContact O-OD1 2.97Å; S2635-N2637 PolarHBondContact O-N 3.19Å; S2635-N2637 VanDerWaalsContact O-N 3.12Å; S2635-N2637 PolarHBondContact O-ND2 3.14Å; S2635-N2637 PolarHBondContact OG-ND2 2.91Å
2638A58.2Low58.1Low39.6 Ų39.684.6 Ų84.633%0.32751%0.514SS..PPolyproline II helixtrans-61.7142.7170.300000110.3A2615 I2626 P2627 T2636 G2640 R3192A2615-A2638 HydrophobicContact CB-CB 3.79Å; I2626-A2638 HydrophobicContact CB-CB 4.49Å; I2626-A2638 HydrophobicContact CG2-CB 3.78Å; P2627-A2638 HydrophobicContact CG-CB 3.89Å; T2636-A2638 PolarHBondContact O-N 3.3Å; A2638-G2640 PolarHBondContact O-N 3.32Å; A2638-G2640 VanDerWaalsContact O-N 3.09Å; A2638-R3192 PolarHBondContact O-NH2 3.49Å
2639P58.2Low58Low68 Ų6884.8 Ų84.844%0.44252%0.516SS..PPolyproline II helixtrans-62126.517816.3-21.4000110.6I2626 T2641 T2642I2626-P2639 WeakPolarHBondContact CD1-O 3.29Å; P2639-T2641 PolarHBondContact O-N 2.82Å; P2639-T2641 VanDerWaalsContact O-N 3.17Å; P2639-T2642 HydrophobicContact CB-CG2 4.44Å; P2639-T2642 HydrophobicContact CG-CG2 4.14Å; P2639-T2642 PolarHBondContact O-N 3.15Å; P2639-T2642 VanDerWaalsContact O-N 3.12Å; P2639-T2642 PolarHBondContact O-OG1 3.4Å
2640G58.7Low57.9Low54.6 Ų54.681.3 Ų81.356%0.56351%0.507SS*.SBendtrans-66.3-9.4-179.200000114.9I2626 A2638 K3195I2626-G2640 VanDerWaalsContact CD1-O 3.28Å; I2626-G2640 WeakPolarHBondContact CD1-O 3.47Å; A2638-G2640 PolarHBondContact O-N 3.32Å; A2638-G2640 VanDerWaalsContact O-N 3.09Å; G2640-K3195 PolarHBondContact O-N 3.2Å
2641T62.3Low57.4Low80.6 Ų80.681.8 Ų81.849%0.49452%0.517SS..EExtended strand (participates in β ladder)trans-129.390.4178-6.70000109.5P2639 A2643 K3195 F3197P2639-T2641 PolarHBondContact O-N 2.82Å; P2639-T2641 VanDerWaalsContact O-N 3.17Å; T2641-A2643 VanDerWaalsContact C-N 3.31Å; T2641-A2643 PolarHBondContact O-N 3.18Å; T2641-K3195 CarbonylContact C-O 3.56Å; T2641-K3195 VanDerWaalsContact CA-O 3.29Å; T2641-K3195 WeakPolarHBondContact CA-O 3.42Å; T2641-K3195 HydrophobicContact CG2-CB 3.7Å; T2641-F3197 HydrophobicContact CG2-CB 3.85Å; T2641-F3197 HydrophobicContact CG2-CD1 3.71Å; T2641-F3197 HydrophobicContact CG2-CG 4.26Å
2642T64.8Low56.6Low49 Ų4980.6 Ų80.630%0.30151%0.511SS..EExtended strand (participates in β ladder)trans-91.4137.4170.754.90000110.4P2639 Y2644 H3194 K3195 E3196 F3197P2639-T2642 HydrophobicContact CB-CG2 4.44Å; P2639-T2642 HydrophobicContact CG-CG2 4.14Å; P2639-T2642 PolarHBondContact O-N 3.15Å; P2639-T2642 VanDerWaalsContact O-N 3.12Å; P2639-T2642 PolarHBondContact O-OG1 3.4Å; T2642-Y2644 VanDerWaalsContact C-N 3.31Å; T2642-Y2644 VanDerWaalsContact O-CD2 3.28Å; T2642-Y2644 WeakPolarHBondContact O-CD2 3.33Å; T2642-Y2644 WeakPolarHBondContact O-CE2 3.27Å; T2642-Y2644 PolarHBondContact O-N 3.24Å; T2642-H3194 WeakPolarHBondContact CG2-NE2 3.47Å; T2642-H3194 PolarHBondContact OG1-CE1 3.03Å; T2642-H3194 PolarHBondContact OG1-NE2 3.34Å; T2642-K3195 PolarHBondContact N-O 3.02Å; T2642-E3196 CarbonylContact O-C 3.56Å; T2642-E3196 WeakPolarHBondContact O-CA 3.38Å; T2642-F3197 VanDerWaalsContact O-CD1 3.23Å; T2642-F3197 WeakPolarHBondContact O-CD1 3.41Å; T2642-F3197 PolarHBondContact O-N 3.22Å
2643A63.2Low55.6Low76 Ų7681.8 Ų81.863%0.62852%0.518SS*.EExtended strand (participates in β ladder)trans-73.3111.8177.300000109.7T2641 V2645 F3197T2641-A2643 VanDerWaalsContact C-N 3.31Å; T2641-A2643 PolarHBondContact O-N 3.18Å; A2643-V2645 PolarHBondContact O-N 3.09Å; A2643-F3197 HydrophobicContact CB-CD1 4.32Å; A2643-F3197 HydrophobicContact CB-CE1 3.62Å; A2643-F3197 HydrophobicContact CB-CE2 4.03Å; A2643-F3197 HydrophobicContact CB-CZ 3.46Å; A2643-F3197 VanDerWaalsContact CB-CZ 3.43Å
2644Y64Low55.1Low94.4 Ų94.483.2 Ų83.237%0.3751%0.512SS..EExtended strand (participates in β ladder)trans-84.4123.8169.8-137.7-94.8000109.6T2642 L2646 C2647 F3197 V3198 E3243 R3247T2642-Y2644 VanDerWaalsContact C-N 3.31Å; T2642-Y2644 VanDerWaalsContact O-CD2 3.28Å; T2642-Y2644 WeakPolarHBondContact O-CD2 3.33Å; T2642-Y2644 WeakPolarHBondContact O-CE2 3.27Å; T2642-Y2644 PolarHBondContact O-N 3.24Å; Y2644-L2646 HydrophobicContact CE1-CD2 4.2Å; Y2644-L2646 PolarHBondContact O-N 3.27Å; Y2644-C2647 PolarHBondContact OH-SG 2.89Å; Y2644-F3197 PolarHBondContact N-O 3.19Å; Y2644-V3198 HydrophobicContact CD1-CG2 3.87Å; Y2644-V3198 HydrophobicContact CG-CG2 4.38Å; Y2644-E3243 HydrophobicContact CE1-CB 4.41Å; Y2644-E3243 PolarHBondContact OH-OE2 3.08Å; Y2644-R3247 VanDerWaalsContact CE2-NH2 3.29Å
2645V63.5Low54.2Low115.2 Ų115.287.7 Ų87.770%0.69852%0.516SS*.  trans-96.3116.4170.91800000106.6A2643 C2647A2643-V2645 PolarHBondContact O-N 3.09Å; V2645-C2647 PolarHBondContact O-N 2.93Å
2646L60.3Low53.1Low70.4 Ų70.489.9 Ų89.937%0.36953%0.53SS..  trans-58.9117.3169.5-69169.7000108.4Y2644 R2648 P2649 V3198 W3236 L3240 E3243Y2644-L2646 HydrophobicContact CE1-CD2 4.2Å; Y2644-L2646 PolarHBondContact O-N 3.27Å; L2646-R2648 VanDerWaalsContact C-N 3.29Å; L2646-R2648 PolarHBondContact O-N 3.14Å; L2646-R2648 VanDerWaalsContact O-N 3.1Å; L2646-P2649 HydrophobicContact CB-CB 4.47Å; L2646-V3198 HydrophobicContact CD1-CG1 4.48Å; L2646-V3198 HydrophobicContact CG-CG1 4.38Å; L2646-W3236 HydrophobicContact CD1-CE3 3.68Å; L2646-W3236 HydrophobicContact CD1-CZ3 3.84Å; L2646-L3240 HydrophobicContact CD2-CB 4.02Å; L2646-L3240 HydrophobicContact CD2-CD1 4.02Å; L2646-E3243 WeakPolarHBondContact CA-OE2 3.41Å; L2646-E3243 HydrophobicContact CD2-CB 4.45Å
2647C58.1Low52Low101.4 Ų101.490 Ų9069%0.68554%0.535SS*.SBendtrans-64.2-20.2174.3-67.20000109.7Y2644 V2645 E3243Y2644-C2647 PolarHBondContact OH-SG 2.89Å; V2645-C2647 PolarHBondContact O-N 2.93Å; C2647-E3243 PolarHBondContact N-OE1 3.1Å; C2647-E3243 PolarHBondContact N-OE2 3.33Å
2648R57.4Low50.8Low148 Ų14890.9 Ų90.956%0.55855%0.55SS**SBendtrans-99.5115.4171.1-55.5-179.6-175.5167.1-1108.2L2646 S2652 E2655 R3239 E3243L2646-R2648 VanDerWaalsContact C-N 3.29Å; L2646-R2648 PolarHBondContact O-N 3.14Å; L2646-R2648 VanDerWaalsContact O-N 3.1Å; R2648-S2652 WeakPolarHBondContact CB-OG 3.37Å; R2648-E2655 IonicContact CZ-OE2 2.84Å; R2648-E2655 IonicContact NH1-OE2 3.78Å; R2648-E2655 PolarHBondContact NH1-OE2 2.86Å; R2648-E2655 IonicContact NH2-OE2 2.68Å; R2648-E2655 PolarHBondContact NH2-OE2 3.39Å; R2648-R3239 WeakPolarHBondContact O-CD 3.46Å; R2648-R3239 WeakPolarHBondContact O-CG 3.44Å; R2648-R3239 PolarHBondContact O-NE 3.05Å; R2648-R3239 VanDerWaalsContact O-NE 3.1Å; R2648-E3243 PolarHBondContact N-OE1 3.07Å
2649P54.7Low49.5Very low75.8 Ų75.895.7 Ų95.749%0.49257%0.57SS.*  trans-62.4152.9167.729.6-34.6000109.2L2646 S2651 S2652 W3236L2646-P2649 HydrophobicContact CB-CB 4.47Å; P2649-S2651 WeakPolarHBondContact O-CA 3.39Å; P2649-S2651 PolarHBondContact O-N 2.94Å; P2649-S2652 PolarHBondContact O-N 2.87Å; P2649-S2652 PolarHBondContact O-OG 3.29Å; P2649-S2652 VanDerWaalsContact O-OG 3.04Å; P2649-W3236 HydrophobicContact CB-CH2 3.72Å; P2649-W3236 HydrophobicContact CB-CZ2 4.44Å; P2649-W3236 HydrophobicContact CB-CZ3 3.92Å
2650P54.3Low48.3Very low58.2 Ų58.298.2 Ų98.238%0.37858%0.58SS.*THydrogen-bonded Turntrans-61.480.3-175.57.4-8.2000112.1W2612 S2652 L3231 H3235 W3236 R3239W2612-P2650 HydrophobicContact CZ2-CG 3.89Å; P2650-S2652 VanDerWaalsContact C-N 3.27Å; P2650-S2652 PolarHBondContact O-N 2.88Å; P2650-L3231 HydrophobicContact CB-CD2 3.94Å; P2650-L3231 HydrophobicContact CB-CG 4.1Å; P2650-L3231 HydrophobicContact CG-CD2 4.19Å; P2650-H3235 HydrophobicContact CB-CB 3.97Å; P2650-H3235 WeakPolarHBondContact CB-O 3.37Å; P2650-H3235 HydrophobicContact CG-CB 4.27Å; P2650-H3235 WeakPolarHBondContact CG-O 3.44Å; P2650-W3236 HydrophobicContact CG-CD2 4.13Å; P2650-W3236 HydrophobicContact CG-CE3 4.45Å; P2650-W3236 HydrophobicContact CG-CG 4.11Å; P2650-R3239 HydrophobicContact CG-CB 4.2Å; P2650-R3239 HydrophobicContact CG-CG 4.24Å
2651S47.3Very low47.3Very low88.8 Ų88.8102.6 Ų102.662%0.62159%0.586SS**THydrogen-bonded Turntrans-96.983.8179.757.60000111.3P2649 D2653P2649-S2651 WeakPolarHBondContact O-CA 3.39Å; P2649-S2651 PolarHBondContact O-N 2.94Å; S2651-D2653 WeakPolarHBondContact CB-OD2 3.22Å; S2651-D2653 PolarHBondContact O-N 3.28Å
2652S41.1Very low46.2Very low77.4 Ų77.4104 Ų10454%0.54159%0.59SS.*SBendtrans-77.958.7172.455.80000112.5R2648 P2649 P2650 H2654R2648-S2652 WeakPolarHBondContact CB-OG 3.37Å; P2649-S2652 PolarHBondContact O-N 2.87Å; P2649-S2652 PolarHBondContact O-OG 3.29Å; P2649-S2652 VanDerWaalsContact O-OG 3.04Å; P2650-S2652 VanDerWaalsContact C-N 3.27Å; P2650-S2652 PolarHBondContact O-N 2.88Å; S2652-H2654 PolarHBondContact O-N 3.26Å
2653D38.4Very low45Very low129.2 Ų129.2105.9 Ų105.969%0.69161%0.606SS**  trans-80.8124.5-176.3-59.6-48.5000110.1S2651 E2655S2651-D2653 WeakPolarHBondContact CB-OD2 3.22Å; S2651-D2653 PolarHBondContact O-N 3.28Å; D2653-E2655 PolarHBondContact O-N 2.96Å; D2653-E2655 VanDerWaalsContact O-N 3.09Å
2654H37.4Very low44.3Very low163.6 Ų163.6109.9 Ų109.976%0.75761%0.606SS**  trans-70.589.4173.1-83.5-93000110.2S2652 C2656 Y3363S2652-H2654 PolarHBondContact O-N 3.26Å; H2654-C2656 PolarHBondContact O-N 3.31Å; H2654-C2656 VanDerWaalsContact O-N 3.08Å; H2654-Y3363 AromaticContact CE1-CE1 3.99Å; H2654-Y3363 AromaticContact CE1-CZ 3.85Å
2655E34.7Very low43.9Very low159.2 Ų159.2109.1 Ų109.174%0.74461%0.614SS**  trans-73.185.6164.3-70.4-165133.500109.9R2648 D2653 S2657R2648-E2655 IonicContact CZ-OE2 2.84Å; R2648-E2655 IonicContact NH1-OE2 3.78Å; R2648-E2655 PolarHBondContact NH1-OE2 2.86Å; R2648-E2655 IonicContact NH2-OE2 2.68Å; R2648-E2655 PolarHBondContact NH2-OE2 3.39Å; D2653-E2655 PolarHBondContact O-N 2.96Å; D2653-E2655 VanDerWaalsContact O-N 3.09Å; E2655-S2657 VanDerWaalsContact C-N 3.27Å; E2655-S2657 PolarHBondContact O-N 3.05Å; E2655-S2657 VanDerWaalsContact O-N 3.11Å
2656C28.6Very low43.9Very low89.2 Ų89.2109.4 Ų109.460%0.60360%0.603SS**  trans-79.892.3172.7-1090000110.8H2654 A2658 E3359H2654-C2656 PolarHBondContact O-N 3.31Å; H2654-C2656 VanDerWaalsContact O-N 3.08Å; C2656-A2658 PolarHBondContact O-N 2.99Å; C2656-E3359 WeakPolarHBondContact CB-OE1 3.3Å; C2656-E3359 PolarHBondContact SG-OE1 3.13Å
2657S30.6Very low44.6Very low92.4 Ų92.4110 Ų11065%0.64661%0.606SS**  trans-85.8110.5160.760.70000110.6E2655 N2659E2655-S2657 VanDerWaalsContact C-N 3.27Å; E2655-S2657 PolarHBondContact O-N 3.05Å; E2655-S2657 VanDerWaalsContact O-N 3.11Å; S2657-N2659 WeakPolarHBondContact CB-ND2 3.49Å; S2657-N2659 PolarHBondContact O-N 2.99Å; S2657-N2659 PolarHBondContact OG-ND2 3.1Å
2658A31.2Very low45.5Very low78.4 Ų78.4105.9 Ų105.965%0.64858%0.578SS**  trans-98.3125.3147.200000109.1C2656 D2660C2656-A2658 PolarHBondContact O-N 2.99Å; A2658-D2660 VanDerWaalsContact C-N 3.35Å; A2658-D2660 HydrophobicContact CB-CB 4.41Å; A2658-D2660 PolarHBondContact O-N 3.21Å
2659N30.9Very low46.8Very low139 Ų139102.1 Ų102.174%0.74357%0.568SS**  trans-34.376.7171.7-65.3-14.4000113.3S2657 E2661 D2662S2657-N2659 WeakPolarHBondContact CB-ND2 3.49Å; S2657-N2659 PolarHBondContact O-N 2.99Å; S2657-N2659 PolarHBondContact OG-ND2 3.1Å; N2659-E2661 HydrophobicContact CB-CB 4.34Å; N2659-E2661 PolarHBondContact O-N 2.84Å; N2659-E2661 VanDerWaalsContact O-N 3.08Å; N2659-D2662 PolarHBondContact O-N 3.19Å
2660D33.8Very low48.3Very low122.2 Ų122.298.8 Ų98.865%0.65355%0.546SS*.  trans-81.965.3172.2-80.6-47.7000112.4R1811 A2658 D2662 S2663R1811-D2660 IonicContact CZ-OD1 2.78Å; R1811-D2660 IonicContact CZ-OD2 2.64Å; R1811-D2660 IonicContact NH1-OD1 2.7Å; R1811-D2660 IonicContact NH1-OD2 2.67Å; R1811-D2660 PolarHBondContact NH1-OD2 2.95Å; R1811-D2660 IonicContact NH2-OD1 3.48Å; R1811-D2660 PolarHBondContact NH2-OD1 3.34Å; R1811-D2660 IonicContact NH2-OD2 3.83Å; R1811-D2660 PolarHBondContact NH2-OD2 2.87Å; A2658-D2660 VanDerWaalsContact C-N 3.35Å; A2658-D2660 HydrophobicContact CB-CB 4.41Å; A2658-D2660 PolarHBondContact O-N 3.21Å; D2660-D2662 PolarHBondContact O-N 3.2Å; D2660-D2662 VanDerWaalsContact O-N 3.11Å; D2660-S2663 VanDerWaalsContact O-CB 3.26Å; D2660-S2663 WeakPolarHBondContact O-CB 3.26Å; D2660-S2663 PolarHBondContact O-N 3.49Å; D2660-S2663 PolarHBondContact O-OG 2.82Å
2661E36.4Very low49.8Very low145.2 Ų145.296.3 Ų96.368%0.67953%0.53SS*.  trans-63.122174.2-80.8-104.6145.300114.1R2315 N2659 S2663 Y2664R2315-E2661 VanDerWaalsContact CZ-CD 3.4Å; R2315-E2661 IonicContact CZ-OE1 2.76Å; R2315-E2661 VanDerWaalsContact CZ-OE1 3.3Å; R2315-E2661 IonicContact CZ-OE2 2.76Å; R2315-E2661 IonicContact NE-OE1 2.59Å; R2315-E2661 PolarHBondContact NE-OE1 3.44Å; R2315-E2661 IonicContact NE-OE2 2.77Å; R2315-E2661 PolarHBondContact NE-OE2 2.64Å; R2315-E2661 VanDerWaalsContact NH2-CG 3.29Å; R2315-E2661 IonicContact NH2-OE1 2.61Å; R2315-E2661 PolarHBondContact NH2-OE1 2.84Å; R2315-E2661 IonicContact NH2-OE2 3.91Å; R2315-E2661 PolarHBondContact NH2-OE2 3.04Å; N2659-E2661 HydrophobicContact CB-CB 4.34Å; N2659-E2661 PolarHBondContact O-N 2.84Å; N2659-E2661 VanDerWaalsContact O-N 3.08Å; E2661-S2663 VanDerWaalsContact C-N 3.34Å; E2661-S2663 PolarHBondContact O-N 2.72Å; E2661-Y2664 WeakPolarHBondContact O-CD2 3.02Å; E2661-Y2664 PolarHBondContact O-N 2.78Å; E2661-Y2664 WeakPolarHBondContact OE1-CE2 3.12Å; E2661-Y2664 WeakPolarHBondContact OE2-CE2 3.27Å
2662D40.2Very low51.5Low110.2 Ų110.292.1 Ų92.159%0.58950%0.5SS*.  trans-96.964.2-177.2-122.4-3.6000112.1R1812 N2659 D2660 Y2664 R2666 W2737R1812-D2662 IonicContact NH2-OD2 2.8Å; R1812-D2662 PolarHBondContact NH2-OD2 2.83Å; N2659-D2662 PolarHBondContact O-N 3.19Å; D2660-D2662 PolarHBondContact O-N 3.2Å; D2660-D2662 VanDerWaalsContact O-N 3.11Å; D2662-Y2664 VanDerWaalsContact C-N 3.34Å; D2662-Y2664 HydrophobicContact CB-CD2 4.02Å; D2662-Y2664 HydrophobicContact CB-CE1 4.49Å; D2662-Y2664 HydrophobicContact CB-CE2 3.54Å; D2662-Y2664 WeakPolarHBondContact O-CD2 3.48Å; D2662-Y2664 PolarHBondContact O-N 3.07Å; D2662-Y2664 VanDerWaalsContact O-N 3.1Å; D2662-R2666 IonicContact OD1-CZ 3.87Å; D2662-R2666 IonicContact OD1-NH1 3.52Å; D2662-R2666 PolarHBondContact OD1-NH1 3.34Å; D2662-R2666 IonicContact OD2-CZ 3.34Å; D2662-R2666 IonicContact OD2-NH1 2.66Å; D2662-R2666 PolarHBondContact OD2-NH1 3.41Å; D2662-R2666 IonicContact OD2-NH2 3.41Å; D2662-W2737 VanDerWaalsContact O-CZ3 3.31Å; D2662-W2737 WeakPolarHBondContact O-CZ3 3.22Å
2663S40.1Very low53.5Low89.8 Ų89.888.8 Ų88.863%0.62848%0.476SS*.  trans-55.836.6168.5-16.40000114.8D2660 E2661 S2665D2660-S2663 VanDerWaalsContact O-CB 3.26Å; D2660-S2663 WeakPolarHBondContact O-CB 3.26Å; D2660-S2663 PolarHBondContact O-N 3.49Å; D2660-S2663 PolarHBondContact O-OG 2.82Å; E2661-S2663 VanDerWaalsContact C-N 3.34Å; E2661-S2663 PolarHBondContact O-N 2.72Å; S2663-S2665 PolarHBondContact O-N 2.96Å; S2663-S2665 VanDerWaalsContact O-N 3.12Å; S2663-S2665 PolarHBondContact O-OG 2.89Å
2664Y47.4Very low55.4Low160.8 Ų160.884.4 Ų84.463%0.63145%0.45SS*.  trans-80.3118.9179.3-73.1-77.1000111.8E2661 D2662 R2666E2661-Y2664 WeakPolarHBondContact O-CD2 3.02Å; E2661-Y2664 PolarHBondContact O-N 2.78Å; E2661-Y2664 WeakPolarHBondContact OE1-CE2 3.12Å; E2661-Y2664 WeakPolarHBondContact OE2-CE2 3.27Å; D2662-Y2664 VanDerWaalsContact C-N 3.34Å; D2662-Y2664 HydrophobicContact CB-CD2 4.02Å; D2662-Y2664 HydrophobicContact CB-CE1 4.49Å; D2662-Y2664 HydrophobicContact CB-CE2 3.54Å; D2662-Y2664 WeakPolarHBondContact O-CD2 3.48Å; D2662-Y2664 PolarHBondContact O-N 3.07Å; D2662-Y2664 VanDerWaalsContact O-N 3.1Å; Y2664-R2666 VanDerWaalsContact C-N 3.33Å; Y2664-R2666 PolarHBondContact O-N 3.02Å
2665S55.3Low57.1Low76.8 Ų76.878.3 Ų78.354%0.53742%0.423SS..  trans-5375174.1-530000112.8S2663 L2667 F2736 W2737 D2738S2663-S2665 PolarHBondContact O-N 2.96Å; S2663-S2665 VanDerWaalsContact O-N 3.12Å; S2663-S2665 PolarHBondContact O-OG 2.89Å; S2665-L2667 PolarHBondContact O-N 3.1Å; S2665-F2736 WeakPolarHBondContact O-CD1 3.34Å; S2665-W2737 CarbonylContact C-O 3.58Å; S2665-W2737 WeakPolarHBondContact CA-O 3.39Å; S2665-D2738 VanDerWaalsContact CB-OD1 3.23Å; S2665-D2738 WeakPolarHBondContact CB-OD1 3.37Å; S2665-D2738 PolarHBondContact OG-OD1 2.94Å
2666R64.4Low58.7Low121.6 Ų121.677.2 Ų77.246%0.45942%0.422SS..  trans-68136.6-179.6163.7178.2172.7-173.7-7.6110.7D2662 Y2664 S2668 W2737 D2742D2662-R2666 IonicContact OD1-CZ 3.87Å; D2662-R2666 IonicContact OD1-NH1 3.52Å; D2662-R2666 PolarHBondContact OD1-NH1 3.34Å; D2662-R2666 IonicContact OD2-CZ 3.34Å; D2662-R2666 IonicContact OD2-NH1 2.66Å; D2662-R2666 PolarHBondContact OD2-NH1 3.41Å; D2662-R2666 IonicContact OD2-NH2 3.41Å; Y2664-R2666 VanDerWaalsContact C-N 3.33Å; Y2664-R2666 PolarHBondContact O-N 3.02Å; R2666-S2668 PolarHBondContact O-N 3.32Å; R2666-S2668 VanDerWaalsContact O-N 3.16Å; R2666-W2737 HydrophobicContact CB-CB 3.93Å; R2666-W2737 HydrophobicContact CB-CG 4.3Å; R2666-W2737 HydrophobicContact CG-CB 4.09Å; R2666-W2737 HydrophobicContact CG-CD2 4.5Å; R2666-W2737 HydrophobicContact CG-CE3 3.78Å; R2666-W2737 HydrophobicContact CG-CG 4.21Å; R2666-W2737 HydrophobicContact CG-CZ3 4.38Å; R2666-W2737 PolarHBondContact N-O 2.95Å; R2666-W2737 VanDerWaalsContact N-O 3.14Å; R2666-W2737 VanDerWaalsContact NH1-NE1 3.12Å; R2666-W2737 VanDerWaalsContact O-CB 3.28Å; R2666-W2737 WeakPolarHBondContact O-CB 3.28Å; R2666-W2737 PolarHBondContact O-N 3.3Å; R2666-D2742 IonicContact CZ-OD1 2.8Å; R2666-D2742 IonicContact CZ-OD2 3.57Å; R2666-D2742 IonicContact NH1-OD1 3.44Å; R2666-D2742 IonicContact NH1-OD2 3.24Å; R2666-D2742 PolarHBondContact NH1-OD2 3.48Å; R2666-D2742 IonicContact NH2-OD1 2.83Å; R2666-D2742 PolarHBondContact NH2-OD1 3.25Å; R2666-D2742 IonicContact NH2-OD2 2.88Å
2667L74.2Confident60.5Low82.6 Ų82.678.1 Ų78.143%0.43243%0.429SS..EExtended strand (participates in β ladder)trans-77.4126.1172.2-127112.8000109.7S2665 L2669 Y2734 R2735 F2736S2665-L2667 PolarHBondContact O-N 3.1Å; L2667-L2669 HydrophobicContact CB-CD2 4.18Å; L2667-L2669 HydrophobicContact CD2-CD2 4.37Å; L2667-Y2734 HydrophobicContact CD1-CD2 3.84Å; L2667-Y2734 HydrophobicContact CD1-CE2 4.46Å; L2667-Y2734 HydrophobicContact CD1-CG 4.28Å; L2667-Y2734 HydrophobicContact CD2-CD2 4.1Å; L2667-Y2734 HydrophobicContact CD2-CG 4.25Å; L2667-Y2734 HydrophobicContact CG-CD2 4.35Å; L2667-R2735 WeakPolarHBondContact CA-O 3.39Å; L2667-R2735 WeakPolarHBondContact CD2-O 3.27Å; L2667-F2736 HydrophobicContact CD1-CE1 4.4Å; L2667-F2736 HydrophobicContact CD1-CE2 4.42Å; L2667-F2736 HydrophobicContact CD1-CZ 4.22Å; L2667-F2736 HydrophobicContact CD2-CD1 4.38Å
2668S77.7Confident62.2Low14.6 Ų14.681.1 Ų81.110%0.10243%0.433CS..EExtended strand (participates in β ladder)trans-109.3128.2174.6-160.60000109.2R2666 F2670 Y2734 R2735 W2737 D2741R2666-S2668 PolarHBondContact O-N 3.32Å; R2666-S2668 VanDerWaalsContact O-N 3.16Å; S2668-F2670 VanDerWaalsContact CB-CE2 3.46Å; S2668-F2670 VanDerWaalsContact O-CD2 3.24Å; S2668-F2670 WeakPolarHBondContact O-CD2 3.32Å; S2668-F2670 WeakPolarHBondContact O-CE2 3.34Å; S2668-F2670 VanDerWaalsContact OG-CE2 3.24Å; S2668-F2670 WeakPolarHBondContact OG-CE2 3.42Å; S2668-F2670 WeakPolarHBondContact OG-CZ 3.28Å; S2668-Y2734 VanDerWaalsContact O-CA 3.27Å; S2668-Y2734 WeakPolarHBondContact O-CA 3.34Å; S2668-Y2734 WeakPolarHBondContact O-CB 3.29Å; S2668-R2735 PolarHBondContact N-O 3.16Å; S2668-R2735 PolarHBondContact O-N 3.11Å; S2668-R2735 VanDerWaalsContact O-N 3.13Å; S2668-W2737 WeakPolarHBondContact OG-CA 3.39Å; S2668-D2741 VanDerWaalsContact CB-OD2 3.31Å; S2668-D2741 WeakPolarHBondContact CB-OD2 3.38Å; S2668-D2741 PolarHBondContact OG-OD2 3.03Å
2669L84.4Confident64.1Low68.6 Ų68.683.2 Ų83.236%0.35943%0.425SS..EExtended strand (participates in β ladder)trans-94144.9179.1-70171.4000110L2667 P2684 L2685 L2732 G2733L2667-L2669 HydrophobicContact CB-CD2 4.18Å; L2667-L2669 HydrophobicContact CD2-CD2 4.37Å; L2669-P2684 WeakPolarHBondContact O-CA 3.38Å; L2669-L2685 HydrophobicContact CB-CB 4.09Å; L2669-L2685 HydrophobicContact CB-CD1 4Å; L2669-L2685 HydrophobicContact CB-CG 4.39Å; L2669-L2685 WeakPolarHBondContact O-CB 3.38Å; L2669-L2685 PolarHBondContact O-N 3.08Å; L2669-L2732 HydrophobicContact CD2-CD2 4.37Å; L2669-L2732 HydrophobicContact CD2-CG 4.31Å; L2669-G2733 CarbonylContact C-O 3.46Å; L2669-G2733 WeakPolarHBondContact CA-O 3.46Å
2670F85Confident66.2Low7.2 Ų7.278.1 Ų78.13%0.03240%0.398CS..EExtended strand (participates in β ladder)trans-138.2135.8-178-65.8-96.8000111.3S2668 Q2682 I2683 P2684 L2685 L2732 G2733 R2735 D2741S2668-F2670 VanDerWaalsContact CB-CE2 3.46Å; S2668-F2670 VanDerWaalsContact O-CD2 3.24Å; S2668-F2670 WeakPolarHBondContact O-CD2 3.32Å; S2668-F2670 WeakPolarHBondContact O-CE2 3.34Å; S2668-F2670 VanDerWaalsContact OG-CE2 3.24Å; S2668-F2670 WeakPolarHBondContact OG-CE2 3.42Å; S2668-F2670 WeakPolarHBondContact OG-CZ 3.28Å; F2670-Q2682 HydrophobicContact CB-CG 3.84Å; F2670-Q2682 VanDerWaalsContact CB-NE2 3.31Å; F2670-Q2682 HydrophobicContact CD1-CB 4.33Å; F2670-Q2682 HydrophobicContact CD1-CG 3.9Å; F2670-Q2682 VanDerWaalsContact CD1-NE2 3.32Å; F2670-Q2682 HydrophobicContact CE1-CG 4.48Å; F2670-Q2682 HydrophobicContact CG-CG 4.13Å; F2670-Q2682 VanDerWaalsContact CG-NE2 3.35Å; F2670-I2683 CarbonylContact C-O 3.48Å; F2670-I2683 VanDerWaalsContact CA-O 3.25Å; F2670-I2683 WeakPolarHBondContact CA-O 3.34Å; F2670-P2684 VanDerWaalsContact CD1-CA 3.47Å; F2670-P2684 HydrophobicContact CD1-CB 3.9Å; F2670-P2684 HydrophobicContact CD1-CG 4.43Å; F2670-P2684 HydrophobicContact CE1-CB 3.59Å; F2670-P2684 VanDerWaalsContact CE1-CB 3.49Å; F2670-P2684 HydrophobicContact CE1-CG 4.29Å; F2670-P2684 HydrophobicContact CZ-CB 4.16Å; F2670-L2685 VanDerWaalsContact C-CD1 3.5Å; F2670-L2732 CarbonylContact O-C 3.45Å; F2670-L2732 WeakPolarHBondContact O-CA 3.39Å; F2670-G2733 PolarHBondContact N-O 3.12Å; F2670-G2733 PolarHBondContact O-N 3.12Å; F2670-R2735 HydrophobicContact CD2-CB 3.88Å; F2670-R2735 HydrophobicContact CD2-CG 4.05Å; F2670-R2735 HydrophobicContact CE1-CG 4.44Å; F2670-R2735 VanDerWaalsContact CE1-CZ 3.5Å; F2670-R2735 HydrophobicContact CE2-CB 3.95Å; F2670-R2735 HydrophobicContact CE2-CG 3.52Å; F2670-R2735 HydrophobicContact CZ-CB 4.5Å; F2670-R2735 HydrophobicContact CZ-CG 3.93Å; F2670-R2735 VanDerWaalsContact CZ-NE 3.29Å; F2670-R2735 VanDerWaalsContact CZ-NH2 3.3Å; F2670-D2741 WeakPolarHBondContact CE1-OD2 3.3Å; F2670-D2741 WeakPolarHBondContact CZ-OD2 3.34Å
2671L86.8Confident68.4Low4.8 Ų4.873.2 Ų73.23%0.02537%0.371CS..EExtended strand (participates in β ladder)trans-100.1132.3167.9-165.468.7000108.5Q2682 I2683 L2685 L2692 I2696 L2699 I2730 L2732L2671-Q2682 CarbonylContact O-C 3.4Å; L2671-Q2682 VanDerWaalsContact O-CA 3.27Å; L2671-Q2682 WeakPolarHBondContact O-CA 3.33Å; L2671-I2683 PolarHBondContact N-O 3.12Å; L2671-I2683 PolarHBondContact O-N 3.21Å; L2671-L2685 HydrophobicContact CB-CD1 4.28Å; L2671-L2685 HydrophobicContact CB-CD2 4.12Å; L2671-L2685 HydrophobicContact CB-CG 4.37Å; L2671-L2685 VanDerWaalsContact N-CD1 3.29Å; L2671-L2692 HydrophobicContact CD1-CD1 4.22Å; L2671-L2692 HydrophobicContact CD2-CD1 4.18Å; L2671-I2696 HydrophobicContact CD2-CB 4.38Å; L2671-I2696 HydrophobicContact CD2-CG1 3.72Å; L2671-L2699 HydrophobicContact CB-CD1 4.34Å; L2671-L2699 HydrophobicContact CD2-CB 4.45Å; L2671-L2699 HydrophobicContact CD2-CD1 4.1Å; L2671-L2699 HydrophobicContact CD2-CD2 4.07Å; L2671-L2699 HydrophobicContact CG-CD1 3.92Å; L2671-L2699 HydrophobicContact CG-CD2 3.98Å; L2671-L2699 WeakPolarHBondContact O-CD1 3.04Å; L2671-I2730 HydrophobicContact CD1-CG2 3.63Å; L2671-I2730 HydrophobicContact CD2-CG2 4.23Å; L2671-I2730 HydrophobicContact CG-CG2 3.99Å; L2671-L2732 HydrophobicContact CD1-CB 4.43Å; L2671-L2732 HydrophobicContact CD1-CD1 4.3Å
2672G83.1Confident70.6Confident0.6 Ų0.668.8 Ų68.81%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-149.6151.8-178.900000114.6Y2674 I2681 I2730 K2731G2672-Y2674 WeakPolarHBondContact O-CD2 3.29Å; G2672-I2681 CarbonylContact C-O 3.43Å; G2672-I2681 WeakPolarHBondContact CA-O 3.36Å; G2672-I2730 CarbonylContact O-C 3.58Å; G2672-I2730 WeakPolarHBondContact O-CA 3.4Å; G2672-K2731 PolarHBondContact N-O 3.22Å; G2672-K2731 PolarHBondContact O-N 3.01Å
2673I83.3Confident72.6Confident7.8 Ų7.863.6 Ų63.64%0.0432%0.323CS..EExtended strand (participates in β ladder)trans-92.7128.9173.1-59173.6000108.4L2680 I2681 L2699 F2703 Y2728 I2730I2673-L2680 HydrophobicContact CG2-CD1 4.23Å; I2673-L2680 PolarHBondContact O-N 3.26Å; I2673-I2681 PolarHBondContact N-O 3.21Å; I2673-L2699 HydrophobicContact CD1-CD2 3.78Å; I2673-L2699 HydrophobicContact CD1-CG 3.93Å; I2673-L2699 HydrophobicContact CG1-CD1 4.06Å; I2673-L2699 HydrophobicContact CG1-CD2 3.63Å; I2673-L2699 HydrophobicContact CG1-CG 3.85Å; I2673-F2703 HydrophobicContact CD1-CB 3.66Å; I2673-F2703 HydrophobicContact CD1-CD1 4.46Å; I2673-F2703 HydrophobicContact CD1-CD2 3.36Å; I2673-F2703 VanDerWaalsContact CD1-CD2 3.4Å; I2673-F2703 HydrophobicContact CD1-CE2 4.15Å; I2673-F2703 HydrophobicContact CD1-CG 3.6Å; I2673-F2703 HydrophobicContact CG2-CD2 4.31Å; I2673-F2703 HydrophobicContact CG2-CE2 4.25Å; I2673-Y2728 HydrophobicContact CG2-CD1 4.08Å; I2673-Y2728 HydrophobicContact CG2-CG 4.4Å; I2673-I2730 HydrophobicContact CG1-CG1 4.35Å
2674Y78.1Confident74.6Confident37.2 Ų37.260.5 Ų60.515%0.14630%0.3CS..EExtended strand (participates in β ladder)trans-114.4142.1175.9-68.7-105000110.8G2672 E2678 Y2679 Q2682 Y2728 L2729 K2731G2672-Y2674 WeakPolarHBondContact O-CD2 3.29Å; Y2674-E2678 CarbonylContact C-O 3.55Å; Y2674-E2678 VanDerWaalsContact CA-O 3.24Å; Y2674-E2678 WeakPolarHBondContact CA-O 3.26Å; Y2674-E2678 VanDerWaalsContact CB-O 3.3Å; Y2674-E2678 WeakPolarHBondContact CB-O 3.34Å; Y2674-E2678 WeakPolarHBondContact CD1-O 3.42Å; Y2674-Y2679 HydrophobicContact CD2-CD1 4.23Å; Y2674-Y2679 HydrophobicContact CD2-CE1 4.25Å; Y2674-Y2679 HydrophobicContact CE1-CD2 4.18Å; Y2674-Y2679 HydrophobicContact CE1-CE2 4.15Å; Y2674-Y2679 HydrophobicContact CE1-CG 4.45Å; Y2674-Y2679 AromaticContact CE2-CD1 3.78Å; Y2674-Y2679 HydrophobicContact CE2-CD1 3.78Å; Y2674-Y2679 AromaticContact CE2-CE1 3.4Å; Y2674-Y2679 HydrophobicContact CE2-CE1 3.4Å; Y2674-Y2679 VanDerWaalsContact CE2-CE1 3.4Å; Y2674-Y2679 HydrophobicContact CE2-CE2 4.28Å; Y2674-Y2679 HydrophobicContact CE2-CG 4.38Å; Y2674-Y2679 AromaticContact CE2-CZ 3.71Å; Y2674-Y2679 AromaticContact CZ-CE1 3.66Å; Y2674-Y2679 AromaticContact CZ-CE2 3.64Å; Y2674-Y2679 AromaticContact CZ-CZ 3.46Å; Y2674-Y2679 VanDerWaalsContact CZ-CZ 3.46Å; Y2674-Y2679 VanDerWaalsContact OH-CE2 3.27Å; Y2674-Y2679 WeakPolarHBondContact OH-CE2 3.41Å; Y2674-Y2679 PolarHBondContact OH-OH 3.22Å; Y2674-Y2679 VanDerWaalsContact OH-OH 3.1Å; Y2674-Q2682 PolarHBondContact OH-OE1 3.05Å; Y2674-Y2728 WeakPolarHBondContact O-CA 3.43Å; Y2674-L2729 WeakPolarHBondContact CB-O 3.39Å; Y2674-L2729 PolarHBondContact N-O 3.19Å; Y2674-L2729 PolarHBondContact O-N 3.24Å; Y2674-K2731 HydrophobicContact CD1-CD 4.08Å; Y2674-K2731 VanDerWaalsContact CD1-CE 3.5Å; Y2674-K2731 HydrophobicContact CD2-CB 3.83Å; Y2674-K2731 HydrophobicContact CD2-CD 3.83Å; Y2674-K2731 HydrophobicContact CD2-CG 3.72Å; Y2674-K2731 HydrophobicContact CE1-CD 4.24Å; Y2674-K2731 VanDerWaalsContact CE1-NZ 3.25Å; Y2674-K2731 HydrophobicContact CE2-CB 3.7Å; Y2674-K2731 HydrophobicContact CE2-CD 3.85Å; Y2674-K2731 VanDerWaalsContact CE2-CD 3.47Å; Y2674-K2731 HydrophobicContact CE2-CG 4.03Å; Y2674-K2731 HydrophobicContact CG-CD 4.05Å; Y2674-K2731 VanDerWaalsContact CG-CE 3.47Å; Y2674-K2731 HydrophobicContact CG-CG 4.24Å
2675M73.7Confident76.3Confident37 Ų3754.4 Ų54.418%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-128.5131.1168.9-179.5-177.4-170.400107.9S2677 E2678 L2680 N2726 Y2728M2675-S2677 PolarHBondContact O-N 3.01Å; M2675-E2678 PolarHBondContact N-O 3.3Å; M2675-E2678 WeakPolarHBondContact O-CA 3.35Å; M2675-E2678 PolarHBondContact O-N 3.11Å; M2675-L2680 HydrophobicContact CB-CD1 3.71Å; M2675-L2680 HydrophobicContact CB-CD2 4.35Å; M2675-L2680 HydrophobicContact CB-CG 4.23Å; M2675-L2680 HydrophobicContact CE-CD1 4.35Å; M2675-L2680 HydrophobicContact SD-CD1 4.35Å; M2675-N2726 HydrophobicContact CE-CB 4.22Å; M2675-N2726 VanDerWaalsContact CE-CG 3.43Å; M2675-N2726 VanDerWaalsContact CE-ND2 3.3Å; M2675-N2726 WeakPolarHBondContact CE-ND2 3.39Å; M2675-N2726 VanDerWaalsContact CE-OD1 3.26Å; M2675-N2726 WeakPolarHBondContact CE-OD1 3.38Å; M2675-N2726 HydrophobicContact SD-CB 4.26Å; M2675-N2726 PolarHBondContact SD-ND2 2.92Å; M2675-N2726 VanDerWaalsContact SD-ND2 3.41Å; M2675-Y2728 HydrophobicContact CB-CD1 4.27Å; M2675-Y2728 HydrophobicContact CB-CE1 4.32Å; M2675-Y2728 HydrophobicContact CE-CD1 4.44Å; M2675-Y2728 HydrophobicContact CE-CE1 3.84Å; M2675-Y2728 HydrophobicContact CG-CD1 4.37Å; M2675-Y2728 HydrophobicContact CG-CE1 4.28Å; M2675-Y2728 HydrophobicContact SD-CD1 4.42Å; M2675-Y2728 HydrophobicContact SD-CE1 3.81Å; M2675-Y2728 VanDerWaalsContact SD-CE1 3.59Å
2676N68Low77.2Confident134.8 Ų134.855.4 Ų55.472%0.72127%0.271SS*.THydrogen-bonded Turntrans52.423.7178-59.3-16000115.7E2678N2676-E2678 VanDerWaalsContact C-N 3.27Å
2677S66Low77.5Confident107.8 Ų107.853.2 Ų53.275%0.75427%0.268SS*.THydrogen-bonded Turntrans85.4-9.8-174.1-42.50000116.8M2675M2675-S2677 PolarHBondContact O-N 3.01Å
2678E66.7Low77.4Confident155.2 Ų155.257.1 Ų57.173%0.72528%0.282SS*.EExtended strand (participates in β ladder)trans-82.4156.1168.7-62.4-172.3145.800110.8Y2674 M2675 N2676Y2674-E2678 CarbonylContact C-O 3.55Å; Y2674-E2678 VanDerWaalsContact CA-O 3.24Å; Y2674-E2678 WeakPolarHBondContact CA-O 3.26Å; Y2674-E2678 VanDerWaalsContact CB-O 3.3Å; Y2674-E2678 WeakPolarHBondContact CB-O 3.34Å; Y2674-E2678 WeakPolarHBondContact CD1-O 3.42Å; M2675-E2678 PolarHBondContact N-O 3.3Å; M2675-E2678 WeakPolarHBondContact O-CA 3.35Å; M2675-E2678 PolarHBondContact O-N 3.11Å; N2676-E2678 VanDerWaalsContact C-N 3.27Å
2679Y70.6Confident76.7Confident123 Ų12361.7 Ų61.748%0.48231%0.305SS..EExtended strand (participates in β ladder)trans-94.9131.7177.793.9-91000109.6Y2674 I2681 Q2682Y2674-Y2679 HydrophobicContact CD2-CD1 4.23Å; Y2674-Y2679 HydrophobicContact CD2-CE1 4.25Å; Y2674-Y2679 HydrophobicContact CE1-CD2 4.18Å; Y2674-Y2679 HydrophobicContact CE1-CE2 4.15Å; Y2674-Y2679 HydrophobicContact CE1-CG 4.45Å; Y2674-Y2679 AromaticContact CE2-CD1 3.78Å; Y2674-Y2679 HydrophobicContact CE2-CD1 3.78Å; Y2674-Y2679 AromaticContact CE2-CE1 3.4Å; Y2674-Y2679 HydrophobicContact CE2-CE1 3.4Å; Y2674-Y2679 VanDerWaalsContact CE2-CE1 3.4Å; Y2674-Y2679 HydrophobicContact CE2-CE2 4.28Å; Y2674-Y2679 HydrophobicContact CE2-CG 4.38Å; Y2674-Y2679 AromaticContact CE2-CZ 3.71Å; Y2674-Y2679 AromaticContact CZ-CE1 3.66Å; Y2674-Y2679 AromaticContact CZ-CE2 3.64Å; Y2674-Y2679 AromaticContact CZ-CZ 3.46Å; Y2674-Y2679 VanDerWaalsContact CZ-CZ 3.46Å; Y2674-Y2679 VanDerWaalsContact OH-CE2 3.27Å; Y2674-Y2679 WeakPolarHBondContact OH-CE2 3.41Å; Y2674-Y2679 PolarHBondContact OH-OH 3.22Å; Y2674-Y2679 VanDerWaalsContact OH-OH 3.1Å; Y2679-I2681 WeakPolarHBondContact OH-CA 3.36Å; Y2679-Q2682 HydrophobicContact CD1-CB 4.09Å; Y2679-Q2682 HydrophobicContact CD1-CG 4.03Å; Y2679-Q2682 HydrophobicContact CD2-CB 4.28Å; Y2679-Q2682 HydrophobicContact CD2-CG 4.01Å; Y2679-Q2682 HydrophobicContact CE1-CB 4.38Å; Y2679-Q2682 HydrophobicContact CE1-CG 3.8Å; Y2679-Q2682 HydrophobicContact CE2-CB 3.78Å; Y2679-Q2682 HydrophobicContact CE2-CG 3.36Å; Y2679-Q2682 VanDerWaalsContact CE2-N 3.28Å; Y2679-Q2682 WeakPolarHBondContact OH-CB 3.42Å; Y2679-Q2682 PolarHBondContact OH-N 3.5Å; Y2679-Q2682 PolarHBondContact OH-NE2 3.28Å
2680L75.2Confident75.9Confident31.8 Ų31.859.6 Ų59.617%0.16630%0.298CS..EExtended strand (participates in β ladder)trans-94.2-50175-70.4168.4000111.1I2673 M2675 F2703 L2706 Y2712 Y2728I2673-L2680 HydrophobicContact CG2-CD1 4.23Å; I2673-L2680 PolarHBondContact O-N 3.26Å; M2675-L2680 HydrophobicContact CB-CD1 3.71Å; M2675-L2680 HydrophobicContact CB-CD2 4.35Å; M2675-L2680 HydrophobicContact CB-CG 4.23Å; M2675-L2680 HydrophobicContact CE-CD1 4.35Å; M2675-L2680 HydrophobicContact SD-CD1 4.35Å; L2680-F2703 HydrophobicContact CD1-CE2 4.22Å; L2680-L2706 HydrophobicContact CB-CD2 4.21Å; L2680-L2706 HydrophobicContact CD2-CD2 4.19Å; L2680-Y2712 HydrophobicContact CD2-CD1 3.98Å; L2680-Y2712 HydrophobicContact CD2-CE1 3.62Å; L2680-Y2712 VanDerWaalsContact CD2-CE1 3.42Å; L2680-Y2712 HydrophobicContact CD2-CG 4.33Å; L2680-Y2728 HydrophobicContact CD1-CD1 3.85Å; L2680-Y2728 HydrophobicContact CD1-CE1 3.74Å
2681I80.3Confident75.3Confident19.8 Ų19.861 Ų6110%0.10231%0.307CS..EExtended strand (participates in β ladder)trans-142.2138.2-176.5-59.4178.6000108.7G2672 I2673 Y2679 I2683 L2699 K2702 F2703 L2706G2672-I2681 CarbonylContact C-O 3.43Å; G2672-I2681 WeakPolarHBondContact CA-O 3.36Å; I2673-I2681 PolarHBondContact N-O 3.21Å; Y2679-I2681 WeakPolarHBondContact OH-CA 3.36Å; I2681-I2683 HydrophobicContact CG2-CG1 4.44Å; I2681-L2699 HydrophobicContact CG2-CD1 4.04Å; I2681-K2702 VanDerWaalsContact CD1-C 3.45Å; I2681-K2702 HydrophobicContact CD1-CB 4.07Å; I2681-K2702 VanDerWaalsContact CD1-O 3.28Å; I2681-K2702 WeakPolarHBondContact CD1-O 3.29Å; I2681-K2702 HydrophobicContact CG2-CB 4.09Å; I2681-K2702 HydrophobicContact CG2-CD 4.35Å; I2681-F2703 VanDerWaalsContact CD1-CA 3.46Å; I2681-F2703 HydrophobicContact CD1-CB 4.06Å; I2681-F2703 HydrophobicContact CD1-CD2 4.2Å; I2681-L2706 HydrophobicContact CD1-CB 3.99Å; I2681-L2706 HydrophobicContact CD1-CD2 3.93Å; I2681-L2706 HydrophobicContact CD1-CG 4.36Å; I2681-L2706 HydrophobicContact CG1-CD2 3.93Å
2682Q81.2Confident74.8Confident51.8 Ų51.864.1 Ų64.124%0.24232%0.323CS..EExtended strand (participates in β ladder)trans-135.8137.2177.6-162.1178-24.500110.2F2670 L2671 Y2674 Y2679 R2735F2670-Q2682 HydrophobicContact CB-CG 3.84Å; F2670-Q2682 VanDerWaalsContact CB-NE2 3.31Å; F2670-Q2682 HydrophobicContact CD1-CB 4.33Å; F2670-Q2682 HydrophobicContact CD1-CG 3.9Å; F2670-Q2682 VanDerWaalsContact CD1-NE2 3.32Å; F2670-Q2682 HydrophobicContact CE1-CG 4.48Å; F2670-Q2682 HydrophobicContact CG-CG 4.13Å; F2670-Q2682 VanDerWaalsContact CG-NE2 3.35Å; L2671-Q2682 CarbonylContact O-C 3.4Å; L2671-Q2682 VanDerWaalsContact O-CA 3.27Å; L2671-Q2682 WeakPolarHBondContact O-CA 3.33Å; Y2674-Q2682 PolarHBondContact OH-OE1 3.05Å; Y2679-Q2682 HydrophobicContact CD1-CB 4.09Å; Y2679-Q2682 HydrophobicContact CD1-CG 4.03Å; Y2679-Q2682 HydrophobicContact CD2-CB 4.28Å; Y2679-Q2682 HydrophobicContact CD2-CG 4.01Å; Y2679-Q2682 HydrophobicContact CE1-CB 4.38Å; Y2679-Q2682 HydrophobicContact CE1-CG 3.8Å; Y2679-Q2682 HydrophobicContact CE2-CB 3.78Å; Y2679-Q2682 HydrophobicContact CE2-CG 3.36Å; Y2679-Q2682 VanDerWaalsContact CE2-N 3.28Å; Y2679-Q2682 WeakPolarHBondContact OH-CB 3.42Å; Y2679-Q2682 PolarHBondContact OH-N 3.5Å; Y2679-Q2682 PolarHBondContact OH-NE2 3.28Å; Q2682-R2735 VanDerWaalsContact OE1-NH1 3.13Å
2683I82.6Confident74.3Confident1.8 Ų1.868 Ų681%0.00934%0.34CS..EExtended strand (participates in β ladder)trans-126126.6179-57.8-175.2000109.5F2670 L2671 I2681 Y2695 E2698 L2699 K2702F2670-I2683 CarbonylContact C-O 3.48Å; F2670-I2683 VanDerWaalsContact CA-O 3.25Å; F2670-I2683 WeakPolarHBondContact CA-O 3.34Å; L2671-I2683 PolarHBondContact N-O 3.12Å; L2671-I2683 PolarHBondContact O-N 3.21Å; I2681-I2683 HydrophobicContact CG2-CG1 4.44Å; I2683-Y2695 HydrophobicContact CG2-CD1 4.11Å; I2683-Y2695 HydrophobicContact CG2-CE1 4.45Å; I2683-E2698 HydrophobicContact CD1-CB 3.9Å; I2683-E2698 HydrophobicContact CD1-CG 3.8Å; I2683-E2698 WeakPolarHBondContact CD1-O 3.43Å; I2683-E2698 WeakPolarHBondContact CG2-OE2 3.35Å; I2683-L2699 VanDerWaalsContact CD1-CA 3.44Å; I2683-L2699 HydrophobicContact CD1-CB 3.85Å; I2683-L2699 HydrophobicContact CD1-CD1 3.75Å; I2683-L2699 HydrophobicContact CD1-CG 4.42Å; I2683-L2699 VanDerWaalsContact CD1-N 3.28Å; I2683-L2699 HydrophobicContact CG1-CB 4.4Å; I2683-L2699 HydrophobicContact CG1-CD1 4.1Å; I2683-K2702 HydrophobicContact CD1-CD 3.93Å; I2683-K2702 HydrophobicContact CG1-CD 4.3Å
2684P82.9Confident73.8Confident24 Ų2470.4 Ų70.416%0.15635%0.353CS..EExtended strand (participates in β ladder)trans-71.2129.7172.527.4-32.1000111.6L2669 F2670 R2686L2669-P2684 WeakPolarHBondContact O-CA 3.38Å; F2670-P2684 VanDerWaalsContact CD1-CA 3.47Å; F2670-P2684 HydrophobicContact CD1-CB 3.9Å; F2670-P2684 HydrophobicContact CD1-CG 4.43Å; F2670-P2684 HydrophobicContact CE1-CB 3.59Å; F2670-P2684 VanDerWaalsContact CE1-CB 3.49Å; F2670-P2684 HydrophobicContact CE1-CG 4.29Å; F2670-P2684 HydrophobicContact CZ-CB 4.16Å; P2684-R2686 VanDerWaalsContact C-N 3.3Å; P2684-R2686 HydrophobicContact CB-CG 4Å; P2684-R2686 HydrophobicContact CG-CG 4.12Å; P2684-R2686 VanDerWaalsContact CG-NE 3.28Å; P2684-R2686 PolarHBondContact O-N 3.26Å; P2684-R2686 VanDerWaalsContact O-N 3.08Å
2685L82.4Confident73.8Confident33 Ų3369.3 Ų69.317%0.17335%0.349CS..  trans-79.880.3174-67135000109.3L2669 F2670 L2671 L2692 Y2695 L2732L2669-L2685 HydrophobicContact CB-CB 4.09Å; L2669-L2685 HydrophobicContact CB-CD1 4Å; L2669-L2685 HydrophobicContact CB-CG 4.39Å; L2669-L2685 WeakPolarHBondContact O-CB 3.38Å; L2669-L2685 PolarHBondContact O-N 3.08Å; F2670-L2685 VanDerWaalsContact C-CD1 3.5Å; L2671-L2685 HydrophobicContact CB-CD1 4.28Å; L2671-L2685 HydrophobicContact CB-CD2 4.12Å; L2671-L2685 HydrophobicContact CB-CG 4.37Å; L2671-L2685 VanDerWaalsContact N-CD1 3.29Å; L2685-L2692 HydrophobicContact CD2-CD1 4.14Å; L2685-Y2695 HydrophobicContact CB-CD2 4.36Å; L2685-Y2695 HydrophobicContact CB-CE2 4.01Å; L2685-Y2695 HydrophobicContact CD2-CD1 3.69Å; L2685-Y2695 VanDerWaalsContact CD2-CD1 3.47Å; L2685-Y2695 HydrophobicContact CD2-CD2 3.6Å; L2685-Y2695 HydrophobicContact CD2-CE1 4.08Å; L2685-Y2695 HydrophobicContact CD2-CE2 3.95Å; L2685-Y2695 HydrophobicContact CD2-CG 3.61Å; L2685-Y2695 VanDerWaalsContact CD2-CG 3.42Å; L2685-Y2695 HydrophobicContact CG-CD1 4.42Å; L2685-Y2695 HydrophobicContact CG-CD2 3.71Å; L2685-Y2695 HydrophobicContact CG-CE2 3.88Å; L2685-Y2695 HydrophobicContact CG-CG 4.18Å; L2685-L2732 HydrophobicContact CD1-CD1 3.61Å; L2685-L2732 HydrophobicContact CD2-CD1 4.18Å
2686R74.4Confident74.1Confident98.8 Ų98.869.7 Ų69.737%0.37335%0.351SS..  trans-79.4-45.3-171.6-66.3-174.5179.8166.8-0.2114.2P2684 K2688 Y2695 D2741 D2742 V2744P2684-R2686 VanDerWaalsContact C-N 3.3Å; P2684-R2686 HydrophobicContact CB-CG 4Å; P2684-R2686 HydrophobicContact CG-CG 4.12Å; P2684-R2686 VanDerWaalsContact CG-NE 3.28Å; P2684-R2686 PolarHBondContact O-N 3.26Å; P2684-R2686 VanDerWaalsContact O-N 3.08Å; R2686-K2688 PolarHBondContact O-N 2.88Å; R2686-Y2695 PolarHBondContact N-OH 3.08Å; R2686-Y2695 VanDerWaalsContact N-OH 3.1Å; R2686-D2741 VanDerWaalsContact CZ-O 3.28Å; R2686-D2741 PolarHBondContact NE-O 3.4Å; R2686-D2741 PolarHBondContact NH2-O 2.99Å; R2686-D2742 IonicContact CZ-OD1 2.7Å; R2686-D2742 IonicContact CZ-OD2 3.5Å; R2686-D2742 IonicContact NE-OD1 2.99Å; R2686-D2742 PolarHBondContact NE-OD1 3.24Å; R2686-D2742 IonicContact NE-OD2 3.49Å; R2686-D2742 PolarHBondContact NE-OD2 3.41Å; R2686-D2742 VanDerWaalsContact NH1-CA 3.3Å; R2686-D2742 PolarHBondContact NH1-O 3.3Å; R2686-D2742 IonicContact NH1-OD1 3.47Å; R2686-D2742 PolarHBondContact NH1-OD1 3.2Å; R2686-D2742 VanDerWaalsContact NH1-OD1 3.08Å; R2686-D2742 IonicContact NH2-OD1 3.06Å; R2686-D2742 PolarHBondContact NH2-OD1 3.1Å; R2686-D2742 IonicContact NH2-OD2 2.7Å; R2686-D2742 PolarHBondContact NH2-OD2 2.97Å; R2686-D2742 VanDerWaalsContact NH2-OD2 3.08Å; R2686-V2744 PolarHBondContact NH1-O 3.47Å; R2686-V2744 VanDerWaalsContact NH1-O 3.13Å; R2686-V2744 VanDerWaalsContact NH2-CG2 3.33Å; R2686-V2744 PolarHBondContact NH2-O 2.82Å
2687D71.6Confident74.3Confident74.4 Ų74.465.6 Ų65.640%0.39833%0.328SS..  trans-86.7128.3177.9177.826.3000110.6N2689 A2690 Y2695D2687-N2689 VanDerWaalsContact C-N 3.35Å; D2687-N2689 VanDerWaalsContact CG-N 3.33Å; D2687-N2689 PolarHBondContact O-N 3.12Å; D2687-N2689 WeakPolarHBondContact OD1-CB 3.39Å; D2687-N2689 PolarHBondContact OD1-N 3.15Å; D2687-N2689 PolarHBondContact OD1-ND2 3.02Å; D2687-N2689 WeakPolarHBondContact OD2-CB 3.32Å; D2687-N2689 PolarHBondContact OD2-N 2.99Å; D2687-A2690 HydrophobicContact CB-CB 4.14Å; D2687-A2690 VanDerWaalsContact OD2-CB 3.23Å; D2687-A2690 WeakPolarHBondContact OD2-CB 3.38Å; D2687-A2690 PolarHBondContact OD2-N 3.05Å; D2687-Y2695 WeakPolarHBondContact CA-OH 3.37Å; D2687-Y2695 PolarHBondContact N-OH 2.88Å; D2687-Y2695 PolarHBondContact O-OH 3.07Å
2688K70.3Confident74.8Confident165.6 Ų165.663 Ų6372%0.7230%0.304SS*.SBendtrans-79.4-13.5178.4-57.4-178.2-176.8-176.70112.7R2686R2686-K2688 PolarHBondContact O-N 2.88Å
2689N64.3Low75.3Confident110.2 Ų110.255.7 Ų55.759%0.58927%0.27SS*.SBendtrans-97.7-28.1-177.6-56.2-75.2000112.9D2687 K3248D2687-N2689 VanDerWaalsContact C-N 3.35Å; D2687-N2689 VanDerWaalsContact CG-N 3.33Å; D2687-N2689 PolarHBondContact O-N 3.12Å; D2687-N2689 WeakPolarHBondContact OD1-CB 3.39Å; D2687-N2689 PolarHBondContact OD1-N 3.15Å; D2687-N2689 PolarHBondContact OD1-ND2 3.02Å; D2687-N2689 WeakPolarHBondContact OD2-CB 3.32Å; D2687-N2689 PolarHBondContact OD2-N 2.99Å; N2689-K3248 PolarHBondContact OD1-NZ 3.38Å
2690A67.1Low75.4Confident25.8 Ų25.852.3 Ų52.321%0.21326%0.263CS..SBendtrans-62139.8173.300000111.7D2687 N2694 Y2695D2687-A2690 HydrophobicContact CB-CB 4.14Å; D2687-A2690 VanDerWaalsContact OD2-CB 3.23Å; D2687-A2690 WeakPolarHBondContact OD2-CB 3.38Å; D2687-A2690 PolarHBondContact OD2-N 3.05Å; A2690-N2694 HydrophobicContact CB-CB 4.48Å; A2690-Y2695 HydrophobicContact CB-CD2 4.4Å; A2690-Y2695 HydrophobicContact CB-CE2 3.75Å
2691T71.9Confident75.1Confident35.8 Ų35.853.6 Ų53.622%0.2227%0.269CS..  trans-76.2157.2175.2700000111.2F2693 N2694 Y2695 S2922 P2956T2691-F2693 PolarHBondContact O-N 3.22Å; T2691-F2693 VanDerWaalsContact O-N 3.1Å; T2691-F2693 PolarHBondContact OG1-N 3.15Å; T2691-N2694 WeakPolarHBondContact O-CB 3.31Å; T2691-N2694 PolarHBondContact O-N 3.22Å; T2691-N2694 VanDerWaalsContact O-N 3.11Å; T2691-N2694 PolarHBondContact OG1-N 3.47Å; T2691-Y2695 WeakPolarHBondContact O-CD2 3.32Å; T2691-S2922 WeakPolarHBondContact CB-O 3.38Å; T2691-S2922 WeakPolarHBondContact CG2-O 3.36Å; T2691-S2922 WeakPolarHBondContact OG1-CA 3.18Å; T2691-S2922 PolarHBondContact OG1-O 3.13Å; T2691-P2956 HydrophobicContact CG2-CG 4.33Å
2692L77.2Confident74.8Confident70.6 Ų70.656.3 Ų56.337%0.3728%0.279SS..Hα-helixtrans-57.4-27.7174.7-174.664000112.5L2671 L2685 N2694 Y2695 I2696L2671-L2692 HydrophobicContact CD1-CD1 4.22Å; L2671-L2692 HydrophobicContact CD2-CD1 4.18Å; L2685-L2692 HydrophobicContact CD2-CD1 4.14Å; L2692-N2694 VanDerWaalsContact C-N 3.34Å; L2692-N2694 PolarHBondContact O-N 3.22Å; L2692-Y2695 PolarHBondContact O-N 3.11Å; L2692-I2696 HydrophobicContact CD2-CD1 4.39Å; L2692-I2696 HydrophobicContact CG-CD1 4.03Å; L2692-I2696 HydrophobicContact CG-CG1 4.41Å; L2692-I2696 VanDerWaalsContact O-CG1 3.31Å; L2692-I2696 WeakPolarHBondContact O-CG1 3.28Å; L2692-I2696 PolarHBondContact O-N 3.21Å; L2692-I2696 VanDerWaalsContact O-N 3.15Å
2693F72.7Confident74.4Confident81 Ų8154.9 Ų54.936%0.35527%0.273SS..Hα-helixtrans-61.5-41.3177.2-159.1-87.2000112.6T2691 Y2695 I2696 Q2697 L2918 A2924T2691-F2693 PolarHBondContact O-N 3.22Å; T2691-F2693 VanDerWaalsContact O-N 3.1Å; T2691-F2693 PolarHBondContact OG1-N 3.15Å; F2693-Y2695 VanDerWaalsContact C-N 3.29Å; F2693-Y2695 PolarHBondContact O-N 3.24Å; F2693-I2696 WeakPolarHBondContact O-CB 3.4Å; F2693-I2696 PolarHBondContact O-N 3.08Å; F2693-I2696 VanDerWaalsContact O-N 3.16Å; F2693-Q2697 PolarHBondContact O-N 3Å; F2693-L2918 HydrophobicContact CE2-CD2 4.38Å; F2693-A2924 HydrophobicContact CB-CB 4.28Å; F2693-A2924 HydrophobicContact CD1-CB 3.54Å; F2693-A2924 VanDerWaalsContact CD1-CB 3.44Å; F2693-A2924 HydrophobicContact CE1-CB 3.8Å
2694N72.4Confident73.7Confident59 Ų5958 Ų5832%0.31629%0.287SS..Hα-helixtrans-57.9-42.8175.7-175.348.5000111.7A2690 T2691 L2692 I2696 Q2697 E2698A2690-N2694 HydrophobicContact CB-CB 4.48Å; T2691-N2694 WeakPolarHBondContact O-CB 3.31Å; T2691-N2694 PolarHBondContact O-N 3.22Å; T2691-N2694 VanDerWaalsContact O-N 3.11Å; T2691-N2694 PolarHBondContact OG1-N 3.47Å; L2692-N2694 VanDerWaalsContact C-N 3.34Å; L2692-N2694 PolarHBondContact O-N 3.22Å; N2694-I2696 VanDerWaalsContact C-N 3.35Å; N2694-I2696 PolarHBondContact O-N 3.33Å; N2694-Q2697 WeakPolarHBondContact O-CB 3.25Å; N2694-Q2697 PolarHBondContact O-N 3.05Å; N2694-E2698 PolarHBondContact O-N 3.17Å
2695Y78.8Confident72.9Confident14.8 Ų14.861.1 Ų61.16%0.05830%0.302CS..Hα-helixtrans-73.1-28.5177-65.6-71000113.6I2683 L2685 R2686 D2687 A2690 T2691 L2692 F2693 Q2697 E2698 L2699I2683-Y2695 HydrophobicContact CG2-CD1 4.11Å; I2683-Y2695 HydrophobicContact CG2-CE1 4.45Å; L2685-Y2695 HydrophobicContact CB-CD2 4.36Å; L2685-Y2695 HydrophobicContact CB-CE2 4.01Å; L2685-Y2695 HydrophobicContact CD2-CD1 3.69Å; L2685-Y2695 VanDerWaalsContact CD2-CD1 3.47Å; L2685-Y2695 HydrophobicContact CD2-CD2 3.6Å; L2685-Y2695 HydrophobicContact CD2-CE1 4.08Å; L2685-Y2695 HydrophobicContact CD2-CE2 3.95Å; L2685-Y2695 HydrophobicContact CD2-CG 3.61Å; L2685-Y2695 VanDerWaalsContact CD2-CG 3.42Å; L2685-Y2695 HydrophobicContact CG-CD1 4.42Å; L2685-Y2695 HydrophobicContact CG-CD2 3.71Å; L2685-Y2695 HydrophobicContact CG-CE2 3.88Å; L2685-Y2695 HydrophobicContact CG-CG 4.18Å; R2686-Y2695 PolarHBondContact N-OH 3.08Å; R2686-Y2695 VanDerWaalsContact N-OH 3.1Å; D2687-Y2695 WeakPolarHBondContact CA-OH 3.37Å; D2687-Y2695 PolarHBondContact N-OH 2.88Å; D2687-Y2695 PolarHBondContact O-OH 3.07Å; A2690-Y2695 HydrophobicContact CB-CD2 4.4Å; A2690-Y2695 HydrophobicContact CB-CE2 3.75Å; T2691-Y2695 WeakPolarHBondContact O-CD2 3.32Å; L2692-Y2695 PolarHBondContact O-N 3.11Å; F2693-Y2695 VanDerWaalsContact C-N 3.29Å; F2693-Y2695 PolarHBondContact O-N 3.24Å; Y2695-Q2697 VanDerWaalsContact C-N 3.3Å; Y2695-E2698 WeakPolarHBondContact CD1-OE2 3.34Å; Y2695-L2699 WeakPolarHBondContact O-CB 3.39Å; Y2695-L2699 PolarHBondContact O-N 3.16Å
2696I79.3Confident72.2Confident45.4 Ų45.461 Ų6123%0.23330%0.301CS..Hα-helixtrans-67.9-38.7170.7-69.2163.8000110.2L2671 L2692 F2693 N2694 L2699 S2700 I2807L2671-I2696 HydrophobicContact CD2-CB 4.38Å; L2671-I2696 HydrophobicContact CD2-CG1 3.72Å; L2692-I2696 HydrophobicContact CD2-CD1 4.39Å; L2692-I2696 HydrophobicContact CG-CD1 4.03Å; L2692-I2696 HydrophobicContact CG-CG1 4.41Å; L2692-I2696 VanDerWaalsContact O-CG1 3.31Å; L2692-I2696 WeakPolarHBondContact O-CG1 3.28Å; L2692-I2696 PolarHBondContact O-N 3.21Å; L2692-I2696 VanDerWaalsContact O-N 3.15Å; F2693-I2696 WeakPolarHBondContact O-CB 3.4Å; F2693-I2696 PolarHBondContact O-N 3.08Å; F2693-I2696 VanDerWaalsContact O-N 3.16Å; N2694-I2696 VanDerWaalsContact C-N 3.35Å; N2694-I2696 PolarHBondContact O-N 3.33Å; I2696-L2699 PolarHBondContact O-N 3.19Å; I2696-S2700 WeakPolarHBondContact O-CB 3.21Å; I2696-S2700 PolarHBondContact O-N 3.22Å; I2696-S2700 PolarHBondContact O-OG 3.46Å; I2696-I2807 HydrophobicContact CG2-CD1 4.46Å
2697Q72.7Confident71.7Confident48.6 Ų48.660.2 Ų60.223%0.22730%0.302CS..Hα-helixtrans-63.8-53.3174.5-173.3-178.6-31.300111.1F2693 N2694 Y2695 L2699 S2700 E2701F2693-Q2697 PolarHBondContact O-N 3Å; N2694-Q2697 WeakPolarHBondContact O-CB 3.25Å; N2694-Q2697 PolarHBondContact O-N 3.05Å; Y2695-Q2697 VanDerWaalsContact C-N 3.3Å; Q2697-L2699 VanDerWaalsContact C-N 3.26Å; Q2697-L2699 PolarHBondContact O-N 3.02Å; Q2697-L2699 VanDerWaalsContact O-N 3.14Å; Q2697-S2700 WeakPolarHBondContact CA-OG 3.24Å; Q2697-S2700 WeakPolarHBondContact O-CA 3.28Å; Q2697-S2700 WeakPolarHBondContact O-CB 3.44Å; Q2697-S2700 PolarHBondContact O-N 3.29Å; Q2697-S2700 PolarHBondContact O-OG 2.91Å; Q2697-E2701 WeakPolarHBondContact CG-OE1 3.34Å; Q2697-E2701 PolarHBondContact NE2-OE1 3.19Å; Q2697-E2701 WeakPolarHBondContact O-CG 3.48Å; Q2697-E2701 PolarHBondContact O-N 3.09Å
2698E75.6Confident70.9Confident53.2 Ų53.261.8 Ų61.825%0.24931%0.31CS..Hα-helixtrans-56.3-35.9176.8-163.9-162.9155.900112.1I2683 N2694 Y2695 K2702I2683-E2698 HydrophobicContact CD1-CB 3.9Å; I2683-E2698 HydrophobicContact CD1-CG 3.8Å; I2683-E2698 WeakPolarHBondContact CD1-O 3.43Å; I2683-E2698 WeakPolarHBondContact CG2-OE2 3.35Å; N2694-E2698 PolarHBondContact O-N 3.17Å; Y2695-E2698 WeakPolarHBondContact CD1-OE2 3.34Å; E2698-K2702 HydrophobicContact CG-CD 4.44Å; E2698-K2702 WeakPolarHBondContact O-CB 3.26Å; E2698-K2702 WeakPolarHBondContact O-CG 3.42Å; E2698-K2702 PolarHBondContact O-N 3.08Å; E2698-K2702 VanDerWaalsContact O-N 3.14Å; E2698-K2702 VanDerWaalsContact OE1-CE 3.28Å; E2698-K2702 WeakPolarHBondContact OE1-CE 3.36Å; E2698-K2702 IonicContact OE1-NZ 3.02Å; E2698-K2702 PolarHBondContact OE1-NZ 3.23Å
2699L78.3Confident70.1Confident2.2 Ų2.255.5 Ų55.51%0.01229%0.287CS..Hα-helixtrans-69.8-37.9175.8-179.8123.9000112.5L2671 I2673 I2681 I2683 Y2695 I2696 Q2697 F2703 I2730L2671-L2699 HydrophobicContact CB-CD1 4.34Å; L2671-L2699 HydrophobicContact CD2-CB 4.45Å; L2671-L2699 HydrophobicContact CD2-CD1 4.1Å; L2671-L2699 HydrophobicContact CD2-CD2 4.07Å; L2671-L2699 HydrophobicContact CG-CD1 3.92Å; L2671-L2699 HydrophobicContact CG-CD2 3.98Å; L2671-L2699 WeakPolarHBondContact O-CD1 3.04Å; I2673-L2699 HydrophobicContact CD1-CD2 3.78Å; I2673-L2699 HydrophobicContact CD1-CG 3.93Å; I2673-L2699 HydrophobicContact CG1-CD1 4.06Å; I2673-L2699 HydrophobicContact CG1-CD2 3.63Å; I2673-L2699 HydrophobicContact CG1-CG 3.85Å; I2681-L2699 HydrophobicContact CG2-CD1 4.04Å; I2683-L2699 VanDerWaalsContact CD1-CA 3.44Å; I2683-L2699 HydrophobicContact CD1-CB 3.85Å; I2683-L2699 HydrophobicContact CD1-CD1 3.75Å; I2683-L2699 HydrophobicContact CD1-CG 4.42Å; I2683-L2699 VanDerWaalsContact CD1-N 3.28Å; I2683-L2699 HydrophobicContact CG1-CB 4.4Å; I2683-L2699 HydrophobicContact CG1-CD1 4.1Å; Y2695-L2699 WeakPolarHBondContact O-CB 3.39Å; Y2695-L2699 PolarHBondContact O-N 3.16Å; I2696-L2699 PolarHBondContact O-N 3.19Å; Q2697-L2699 VanDerWaalsContact C-N 3.26Å; Q2697-L2699 PolarHBondContact O-N 3.02Å; Q2697-L2699 VanDerWaalsContact O-N 3.14Å; L2699-F2703 VanDerWaalsContact O-CB 3.31Å; L2699-F2703 WeakPolarHBondContact O-CB 3.34Å; L2699-F2703 PolarHBondContact O-N 3.12Å; L2699-I2730 HydrophobicContact CD1-CG2 4.48Å; L2699-I2730 HydrophobicContact CD2-CD1 4.04Å; L2699-I2730 HydrophobicContact CD2-CG1 4.2Å; L2699-I2730 HydrophobicContact CD2-CG2 4.22Å
2700S72.6Confident69.2Low49.8 Ų49.855.7 Ų55.735%0.34829%0.288SS..Hα-helixtrans-69.6-41.3174.983.60000112.5I2696 Q2697 K2702 F2703 E2704I2696-S2700 WeakPolarHBondContact O-CB 3.21Å; I2696-S2700 PolarHBondContact O-N 3.22Å; I2696-S2700 PolarHBondContact O-OG 3.46Å; Q2697-S2700 WeakPolarHBondContact CA-OG 3.24Å; Q2697-S2700 WeakPolarHBondContact O-CA 3.28Å; Q2697-S2700 WeakPolarHBondContact O-CB 3.44Å; Q2697-S2700 PolarHBondContact O-N 3.29Å; Q2697-S2700 PolarHBondContact O-OG 2.91Å; S2700-K2702 VanDerWaalsContact C-N 3.33Å; S2700-K2702 PolarHBondContact O-N 2.98Å; S2700-F2703 PolarHBondContact O-N 2.98Å; S2700-F2703 VanDerWaalsContact O-N 3.1Å; S2700-E2704 PolarHBondContact O-N 3.04Å
2701E69Low68.4Low59.4 Ų59.460.1 Ų60.128%0.27830%0.304SS..Hα-helixtrans-62.1-44.6176.9-70.4176.7-159.600111.2Q2697 F2703 E2704 L2705 Y2778 N2927Q2697-E2701 WeakPolarHBondContact CG-OE1 3.34Å; Q2697-E2701 PolarHBondContact NE2-OE1 3.19Å; Q2697-E2701 WeakPolarHBondContact O-CG 3.48Å; Q2697-E2701 PolarHBondContact O-N 3.09Å; E2701-F2703 VanDerWaalsContact C-N 3.3Å; E2701-F2703 PolarHBondContact O-N 3.04Å; E2701-E2704 PolarHBondContact O-N 3.25Å; E2701-L2705 WeakPolarHBondContact O-CD1 3.48Å; E2701-L2705 VanDerWaalsContact O-CG 3.31Å; E2701-L2705 WeakPolarHBondContact O-CG 3.35Å; E2701-L2705 PolarHBondContact O-N 3.08Å; E2701-L2705 VanDerWaalsContact O-N 3.15Å; E2701-Y2778 PolarHBondContact OE2-OH 3.1Å; E2701-Y2778 VanDerWaalsContact OE2-OH 3.13Å; E2701-N2927 PolarHBondContact OE1-ND2 3.21Å; E2701-N2927 PolarHBondContact OE2-ND2 3.39Å
2702K73.5Confident67.3Low76.2 Ų76.263.5 Ų63.533%0.33131%0.314SS..Hα-helixtrans-67.7-31.8174.9-70178.9-168.4168.50113I2681 I2683 E2698 S2700 L2705 L2706I2681-K2702 VanDerWaalsContact CD1-C 3.45Å; I2681-K2702 HydrophobicContact CD1-CB 4.07Å; I2681-K2702 VanDerWaalsContact CD1-O 3.28Å; I2681-K2702 WeakPolarHBondContact CD1-O 3.29Å; I2681-K2702 HydrophobicContact CG2-CB 4.09Å; I2681-K2702 HydrophobicContact CG2-CD 4.35Å; I2683-K2702 HydrophobicContact CD1-CD 3.93Å; I2683-K2702 HydrophobicContact CG1-CD 4.3Å; E2698-K2702 HydrophobicContact CG-CD 4.44Å; E2698-K2702 WeakPolarHBondContact O-CB 3.26Å; E2698-K2702 WeakPolarHBondContact O-CG 3.42Å; E2698-K2702 PolarHBondContact O-N 3.08Å; E2698-K2702 VanDerWaalsContact O-N 3.14Å; E2698-K2702 VanDerWaalsContact OE1-CE 3.28Å; E2698-K2702 WeakPolarHBondContact OE1-CE 3.36Å; E2698-K2702 IonicContact OE1-NZ 3.02Å; E2698-K2702 PolarHBondContact OE1-NZ 3.23Å; S2700-K2702 VanDerWaalsContact C-N 3.33Å; S2700-K2702 PolarHBondContact O-N 2.98Å; K2702-L2705 PolarHBondContact O-N 3.21Å; K2702-L2706 PolarHBondContact O-N 3.14Å; K2702-L2706 VanDerWaalsContact O-N 3.11Å
2703F73.5Confident65.5Low23.4 Ų23.467.9 Ų67.910%0.10333%0.326CS..Hα-helixtrans-70.9-42.6177.2-172.7-98.9000112.5I2673 L2680 I2681 L2699 S2700 E2701 L2705 L2706 E2707 Y2728 I2809I2673-F2703 HydrophobicContact CD1-CB 3.66Å; I2673-F2703 HydrophobicContact CD1-CD1 4.46Å; I2673-F2703 HydrophobicContact CD1-CD2 3.36Å; I2673-F2703 VanDerWaalsContact CD1-CD2 3.4Å; I2673-F2703 HydrophobicContact CD1-CE2 4.15Å; I2673-F2703 HydrophobicContact CD1-CG 3.6Å; I2673-F2703 HydrophobicContact CG2-CD2 4.31Å; I2673-F2703 HydrophobicContact CG2-CE2 4.25Å; L2680-F2703 HydrophobicContact CD1-CE2 4.22Å; I2681-F2703 VanDerWaalsContact CD1-CA 3.46Å; I2681-F2703 HydrophobicContact CD1-CB 4.06Å; I2681-F2703 HydrophobicContact CD1-CD2 4.2Å; L2699-F2703 VanDerWaalsContact O-CB 3.31Å; L2699-F2703 WeakPolarHBondContact O-CB 3.34Å; L2699-F2703 PolarHBondContact O-N 3.12Å; S2700-F2703 PolarHBondContact O-N 2.98Å; S2700-F2703 VanDerWaalsContact O-N 3.1Å; E2701-F2703 VanDerWaalsContact C-N 3.3Å; E2701-F2703 PolarHBondContact O-N 3.04Å; F2703-L2705 VanDerWaalsContact C-N 3.28Å; F2703-L2705 PolarHBondContact O-N 2.96Å; F2703-L2706 WeakPolarHBondContact O-CB 3.42Å; F2703-L2706 PolarHBondContact O-N 3.23Å; F2703-L2706 VanDerWaalsContact O-N 3.13Å; F2703-E2707 HydrophobicContact CD1-CG 4.19Å; F2703-E2707 HydrophobicContact CE1-CG 3.77Å; F2703-E2707 WeakPolarHBondContact CE1-OE1 3.4Å; F2703-E2707 WeakPolarHBondContact CE1-OE2 3.44Å; F2703-E2707 HydrophobicContact CZ-CG 4.15Å; F2703-E2707 PolarHBondContact O-N 3.09Å; F2703-Y2728 HydrophobicContact CE1-CD2 4.46Å; F2703-Y2728 HydrophobicContact CE1-CE2 4.44Å; F2703-Y2728 AromaticContact CE2-CD1 3.87Å; F2703-Y2728 HydrophobicContact CE2-CD1 4.1Å; F2703-Y2728 AromaticContact CE2-CE1 3.87Å; F2703-Y2728 HydrophobicContact CE2-CE1 4.01Å; F2703-Y2728 HydrophobicContact CE2-CG 4.33Å; F2703-Y2728 AromaticContact CZ-CD1 3.94Å; F2703-Y2728 HydrophobicContact CZ-CD1 4.03Å; F2703-Y2728 AromaticContact CZ-CD2 3.89Å; F2703-Y2728 HydrophobicContact CZ-CD2 3.94Å; F2703-Y2728 AromaticContact CZ-CE1 3.7Å; F2703-Y2728 HydrophobicContact CZ-CE1 3.79Å; F2703-Y2728 VanDerWaalsContact CZ-CE1 3.47Å; F2703-Y2728 AromaticContact CZ-CE2 3.77Å; F2703-Y2728 HydrophobicContact CZ-CE2 3.77Å; F2703-Y2728 AromaticContact CZ-CG 3.97Å; F2703-Y2728 HydrophobicContact CZ-CG 4.08Å; F2703-Y2728 AromaticContact CZ-CZ 3.74Å; F2703-I2809 HydrophobicContact CD1-CD1 3.79Å; F2703-I2809 HydrophobicContact CE1-CD1 4.16Å
2704E67.4Low63.8Low67.2 Ų67.270 Ų7031%0.31434%0.34SS..Hα-helixtrans-62-37.1173.7-171.2177.3-171.600111.2S2700 E2701 L2706 E2707 N2708 H2786 R2789S2700-E2704 PolarHBondContact O-N 3.04Å; E2701-E2704 PolarHBondContact O-N 3.25Å; E2704-L2706 VanDerWaalsContact C-N 3.32Å; E2704-L2706 PolarHBondContact O-N 3Å; E2704-E2707 PolarHBondContact O-N 3.13Å; E2704-N2708 WeakPolarHBondContact CG-ND2 3.36Å; E2704-N2708 WeakPolarHBondContact O-CB 3.39Å; E2704-N2708 PolarHBondContact O-N 2.97Å; E2704-N2708 VanDerWaalsContact O-N 3.11Å; E2704-N2708 PolarHBondContact O-ND2 3.12Å; E2704-H2786 IonicContact OE2-CD2 3.33Å; E2704-H2786 PolarHBondContact OE2-CD2 2.82Å; E2704-H2786 IonicContact OE2-CE1 3.16Å; E2704-H2786 IonicContact OE2-NE2 2.7Å; E2704-H2786 PolarHBondContact OE2-NE2 3Å; E2704-R2789 IonicContact OE1-CZ 3.49Å; E2704-R2789 IonicContact OE1-NH1 2.97Å; E2704-R2789 PolarHBondContact OE1-NH1 3.16Å; E2704-R2789 IonicContact OE1-NH2 2.99Å; E2704-R2789 PolarHBondContact OE1-NH2 2.88Å; E2704-R2789 IonicContact OE2-CZ 3.35Å; E2704-R2789 IonicContact OE2-NH1 2.8Å; E2704-R2789 PolarHBondContact OE2-NH1 3.04Å; E2704-R2789 IonicContact OE2-NH2 3.75Å
2705L66.3Low62.1Low88.8 Ų88.872 Ų7247%0.46536%0.358SS..Hα-helixtrans-63.6-35.9173-72168.5000113E2701 K2702 F2703 N2708 S2709 T2776 Y2778E2701-L2705 WeakPolarHBondContact O-CD1 3.48Å; E2701-L2705 VanDerWaalsContact O-CG 3.31Å; E2701-L2705 WeakPolarHBondContact O-CG 3.35Å; E2701-L2705 PolarHBondContact O-N 3.08Å; E2701-L2705 VanDerWaalsContact O-N 3.15Å; K2702-L2705 PolarHBondContact O-N 3.21Å; F2703-L2705 VanDerWaalsContact C-N 3.28Å; F2703-L2705 PolarHBondContact O-N 2.96Å; L2705-N2708 PolarHBondContact O-N 3.18Å; L2705-S2709 PolarHBondContact O-N 3.05Å; L2705-T2776 HydrophobicContact CD1-CG2 3.59Å; L2705-T2776 HydrophobicContact CD2-CG2 4.11Å; L2705-Y2778 HydrophobicContact CD1-CE2 4.25Å
2706L67Low60Low30.8 Ų30.880 Ų8016%0.16139%0.394CS..Hα-helixtrans-73.7-39.7177.2-167.671.5000112.3L2680 I2681 K2702 F2703 E2704 N2708 S2709 Y2712L2680-L2706 HydrophobicContact CB-CD2 4.21Å; L2680-L2706 HydrophobicContact CD2-CD2 4.19Å; I2681-L2706 HydrophobicContact CD1-CB 3.99Å; I2681-L2706 HydrophobicContact CD1-CD2 3.93Å; I2681-L2706 HydrophobicContact CD1-CG 4.36Å; I2681-L2706 HydrophobicContact CG1-CD2 3.93Å; K2702-L2706 PolarHBondContact O-N 3.14Å; K2702-L2706 VanDerWaalsContact O-N 3.11Å; F2703-L2706 WeakPolarHBondContact O-CB 3.42Å; F2703-L2706 PolarHBondContact O-N 3.23Å; F2703-L2706 VanDerWaalsContact O-N 3.13Å; E2704-L2706 VanDerWaalsContact C-N 3.32Å; E2704-L2706 PolarHBondContact O-N 3Å; L2706-N2708 VanDerWaalsContact C-N 3.28Å; L2706-N2708 PolarHBondContact O-N 3.1Å; L2706-S2709 WeakPolarHBondContact O-CB 3.38Å; L2706-S2709 PolarHBondContact O-N 3.14Å; L2706-S2709 PolarHBondContact O-OG 3.12Å; L2706-Y2712 HydrophobicContact CD1-CD2 3.83Å; L2706-Y2712 HydrophobicContact CD1-CE2 3.86Å; L2706-Y2712 HydrophobicContact CD1-CG 4.32Å; L2706-Y2712 HydrophobicContact CD2-CD2 4.09Å; L2706-Y2712 HydrophobicContact CD2-CE2 4.09Å; L2706-Y2712 HydrophobicContact CD2-CG 4.29Å; L2706-Y2712 HydrophobicContact CG-CD2 3.86Å; L2706-Y2712 HydrophobicContact CG-CE2 4.21Å; L2706-Y2712 HydrophobicContact CG-CG 4.25Å
2707E63.2Low57.9Low82.6 Ų82.681.2 Ų81.239%0.38641%0.406SS..Hα-helixtrans-69.5-25.9177.4-156172.8-166.800112.7F2703 E2704 S2709 L2714 S2811F2703-E2707 HydrophobicContact CD1-CG 4.19Å; F2703-E2707 HydrophobicContact CE1-CG 3.77Å; F2703-E2707 WeakPolarHBondContact CE1-OE1 3.4Å; F2703-E2707 WeakPolarHBondContact CE1-OE2 3.44Å; F2703-E2707 HydrophobicContact CZ-CG 4.15Å; F2703-E2707 PolarHBondContact O-N 3.09Å; E2704-E2707 PolarHBondContact O-N 3.13Å; E2707-S2709 VanDerWaalsContact C-N 3.28Å; E2707-S2709 PolarHBondContact O-N 2.98Å; E2707-L2714 WeakPolarHBondContact OE1-CD1 3.33Å; E2707-S2811 WeakPolarHBondContact OE1-CB 3.38Å
2708N55.3Low56.4Low107 Ų10787 Ų8757%0.57244%0.437SS*.THydrogen-bonded Turntrans-79.5-10.1171.2-77.6-71.3000113.8E2704 L2705 L2706E2704-N2708 WeakPolarHBondContact CG-ND2 3.36Å; E2704-N2708 WeakPolarHBondContact O-CB 3.39Å; E2704-N2708 PolarHBondContact O-N 2.97Å; E2704-N2708 VanDerWaalsContact O-N 3.11Å; E2704-N2708 PolarHBondContact O-ND2 3.12Å; L2705-N2708 PolarHBondContact O-N 3.18Å; L2706-N2708 VanDerWaalsContact C-N 3.28Å; L2706-N2708 PolarHBondContact O-N 3.1Å
2709S54.7Low54.5Low33 Ų3390.8 Ų90.823%0.23146%0.459CS..SBendtrans-84.7135.417285.80000110.6L2705 L2706 E2707 E2711 Y2712 R2713L2705-S2709 PolarHBondContact O-N 3.05Å; L2706-S2709 WeakPolarHBondContact O-CB 3.38Å; L2706-S2709 PolarHBondContact O-N 3.14Å; L2706-S2709 PolarHBondContact O-OG 3.12Å; E2707-S2709 VanDerWaalsContact C-N 3.28Å; E2707-S2709 PolarHBondContact O-N 2.98Å; S2709-E2711 PolarHBondContact O-N 3.06Å; S2709-E2711 VanDerWaalsContact O-N 3.14Å; S2709-Y2712 PolarHBondContact O-N 3.34Å; S2709-R2713 PolarHBondContact O-N 3.14Å
2710N45Very low52.4Low114.6 Ų114.694.5 Ų94.561%0.61350%0.498SS*.G310 helixtrans-67.8-11.2-171.4-78.5-50.7000114.5R2713N2710-R2713 WeakPolarHBondContact O-CB 3.27Å; N2710-R2713 PolarHBondContact O-N 3.47Å; N2710-R2713 PolarHBondContact OD1-NH1 3.27Å; N2710-R2713 VanDerWaalsContact OD1-NH1 3.07Å
2711E51Low50.6Low118.4 Ų118.499.5 Ų99.555%0.55352%0.52SS*.G310 helixtrans-70.5-33.6-178.9-68.2-179.6120.200113S2709 R2713 I2752S2709-E2711 PolarHBondContact O-N 3.06Å; S2709-E2711 VanDerWaalsContact O-N 3.14Å; E2711-R2713 VanDerWaalsContact C-N 3.32Å; E2711-R2713 PolarHBondContact O-N 2.96Å; E2711-I2752 HydrophobicContact CB-CD1 4.02Å; E2711-I2752 HydrophobicContact CG-CD1 4.34Å; E2711-I2752 HydrophobicContact CG-CG2 4.14Å; E2711-I2752 WeakPolarHBondContact OE1-CD1 3.46Å; E2711-I2752 WeakPolarHBondContact OE1-CG2 3.37Å; E2711-I2752 VanDerWaalsContact OE2-CD1 3.23Å; E2711-I2752 WeakPolarHBondContact OE2-CD1 3.39Å
2712Y47.5Very low49.1Very low107.8 Ų107.8103 Ų10342%0.42354%0.541SS..G310 helixtrans-95.39.9178.8-74-85000113.5L2680 L2706 S2709 L2714 S2715 I2752L2680-Y2712 HydrophobicContact CD2-CD1 3.98Å; L2680-Y2712 HydrophobicContact CD2-CE1 3.62Å; L2680-Y2712 VanDerWaalsContact CD2-CE1 3.42Å; L2680-Y2712 HydrophobicContact CD2-CG 4.33Å; L2706-Y2712 HydrophobicContact CD1-CD2 3.83Å; L2706-Y2712 HydrophobicContact CD1-CE2 3.86Å; L2706-Y2712 HydrophobicContact CD1-CG 4.32Å; L2706-Y2712 HydrophobicContact CD2-CD2 4.09Å; L2706-Y2712 HydrophobicContact CD2-CE2 4.09Å; L2706-Y2712 HydrophobicContact CD2-CG 4.29Å; L2706-Y2712 HydrophobicContact CG-CD2 3.86Å; L2706-Y2712 HydrophobicContact CG-CE2 4.21Å; L2706-Y2712 HydrophobicContact CG-CG 4.25Å; S2709-Y2712 PolarHBondContact O-N 3.34Å; Y2712-L2714 VanDerWaalsContact C-N 3.28Å; Y2712-L2714 PolarHBondContact O-N 3.19Å; Y2712-S2715 PolarHBondContact O-OG 3.28Å; Y2712-I2752 HydrophobicContact CE2-CD1 4.31Å
2713R39.7Very low47.5Very low163 Ų163108.5 Ų108.562%0.61557%0.565SS**  trans-71.829.7175-148.4170.1-174154.1-0.5111.4S2709 N2710 E2711 S2715 N2813S2709-R2713 PolarHBondContact O-N 3.14Å; N2710-R2713 WeakPolarHBondContact O-CB 3.27Å; N2710-R2713 PolarHBondContact O-N 3.47Å; N2710-R2713 PolarHBondContact OD1-NH1 3.27Å; N2710-R2713 VanDerWaalsContact OD1-NH1 3.07Å; E2711-R2713 VanDerWaalsContact C-N 3.32Å; E2711-R2713 PolarHBondContact O-N 2.96Å; R2713-S2715 VanDerWaalsContact C-N 3.31Å; R2713-S2715 PolarHBondContact O-N 3.01Å; R2713-S2715 VanDerWaalsContact O-N 3.14Å; R2713-N2813 PolarHBondContact NH2-OD1 3.37Å
2714L37.6Very low45.9Very low124.6 Ų124.6112.2 Ų112.265%0.65259%0.589SS**  trans-67.988.2177.2-84.8127.1000111.9E2707 Y2712 K2716 N2726 Y2728E2707-L2714 WeakPolarHBondContact OE1-CD1 3.33Å; Y2712-L2714 VanDerWaalsContact C-N 3.28Å; Y2712-L2714 PolarHBondContact O-N 3.19Å; L2714-K2716 VanDerWaalsContact C-N 3.25Å; L2714-K2716 PolarHBondContact O-N 3.06Å; L2714-N2726 WeakPolarHBondContact CD1-ND2 3.37Å; L2714-N2726 VanDerWaalsContact CD2-ND2 3.31Å; L2714-N2726 WeakPolarHBondContact CD2-ND2 3.41Å; L2714-N2726 WeakPolarHBondContact CG-ND2 3.48Å; L2714-Y2728 WeakPolarHBondContact CD1-OH 3.32Å
2715S35.3Very low45.1Very low100.4 Ų100.4116.7 Ų116.770%0.70261%0.608SS**G310 helixtrans-91.363.3158.751.40000111.4Y2712 R2713 S2717Y2712-S2715 PolarHBondContact O-OG 3.28Å; R2713-S2715 VanDerWaalsContact C-N 3.31Å; R2713-S2715 PolarHBondContact O-N 3.01Å; R2713-S2715 VanDerWaalsContact O-N 3.14Å; S2715-S2717 PolarHBondContact O-N 3.02Å; S2715-S2717 VanDerWaalsContact O-N 3.11Å
2716K35.4Very low44.5Very low183.4 Ų183.4115.4 Ų115.480%0.79760%0.601SS**  trans-64.4101.4154.9-94.9-176.9177.6179.50106.9L2714 I2718L2714-K2716 VanDerWaalsContact C-N 3.25Å; L2714-K2716 PolarHBondContact O-N 3.06Å; K2716-I2718 PolarHBondContact O-N 3.21Å; K2716-I2718 VanDerWaalsContact O-N 3.16Å
2717S35.1Very low44.2Very low70.4 Ų70.4119.5 Ų119.549%0.49262%0.624SS.*  trans-48.4130.1171.9-1780000109.5S2715 D2719S2715-S2717 PolarHBondContact O-N 3.02Å; S2715-S2717 VanDerWaalsContact O-N 3.11Å; S2717-D2719 WeakPolarHBondContact CB-O 3.43Å; S2717-D2719 PolarHBondContact O-N 3.03Å; S2717-D2719 PolarHBondContact OG-N 2.98Å; S2717-D2719 VanDerWaalsContact OG-N 3.1Å; S2717-D2719 PolarHBondContact OG-O 3Å
2718I40.9Very low44.6Very low171.8 Ų171.8119.1 Ų119.188%0.88162%0.619SS**SBendtrans-65.6-25.7174.2-70.3173.8000109.9K2716 G2720K2716-I2718 PolarHBondContact O-N 3.21Å; K2716-I2718 VanDerWaalsContact O-N 3.16Å; I2718-G2720 PolarHBondContact O-N 3.3Å
2719D35.7Very low45.5Very low132.6 Ų132.6118 Ų11871%0.70961%0.613SS**SBendtrans-83.8102.2168.9-62.3-52.6000110.8S2717 N2721S2717-D2719 WeakPolarHBondContact CB-O 3.43Å; S2717-D2719 PolarHBondContact O-N 3.03Å; S2717-D2719 PolarHBondContact OG-N 2.98Å; S2717-D2719 VanDerWaalsContact OG-N 3.1Å; S2717-D2719 PolarHBondContact OG-O 3Å; D2719-N2721 VanDerWaalsContact C-N 3.29Å; D2719-N2721 PolarHBondContact O-N 2.98Å; D2719-N2721 VanDerWaalsContact O-N 3.13Å
2720G34.7Very low46.8Very low79.6 Ų79.6119.4 Ų119.482%0.82162%0.617SS**THydrogen-bonded Turntrans-77.361.8-170.500000116I2718I2718-G2720 PolarHBondContact O-N 3.3Å
2721N34.2Very low48.6Very low154.6 Ų154.6117.7 Ų117.783%0.82760%0.604SS**THydrogen-bonded Turntrans-138-17.7170.2-126.6-11.1000115D2719 K2723D2719-N2721 VanDerWaalsContact C-N 3.29Å; D2719-N2721 PolarHBondContact O-N 2.98Å; D2719-N2721 VanDerWaalsContact O-N 3.13Å; N2721-K2723 PolarHBondContact O-N 3.34Å; N2721-K2723 VanDerWaalsContact O-N 3.1Å
2722D38.2Very low50.2Low133.4 Ų133.4116 Ų11671%0.71360%0.598SS**  trans-91.9104.2175.8-105.9-33.6000112.8T2724D2722-T2724 HydrophobicContact CB-CG2 4.32Å; D2722-T2724 PolarHBondContact O-N 3Å
2723K39Very low51.8Low190.4 Ų190.4111.5 Ų111.583%0.82859%0.585SS**  trans-83.951.3168.7-69.9-179.1-179.5172.50111.1P2395 N2721 K2725P2395-K2723 VanDerWaalsContact CG-NZ 3.31Å; N2721-K2723 PolarHBondContact O-N 3.34Å; N2721-K2723 VanDerWaalsContact O-N 3.1Å; K2723-K2725 VanDerWaalsContact C-N 3.29Å; K2723-K2725 PolarHBondContact O-N 3.24Å
2724T41.9Very low53.9Low101.4 Ų101.4110.1 Ų110.162%0.62258%0.581SS**  trans-64100.7171.442.80000109.4D2722 N2726D2722-T2724 HydrophobicContact CB-CG2 4.32Å; D2722-T2724 PolarHBondContact O-N 3Å; T2724-N2726 PolarHBondContact O-N 3.11Å; T2724-N2726 VanDerWaalsContact O-N 3.11Å
2725K48.8Very low55.7Low161.4 Ų161.4108 Ų10870%0.70256%0.564SS**  trans-59.8113.2170.7-73-176.4175.6-177.30108.4K2723 N2727K2723-K2725 VanDerWaalsContact C-N 3.29Å; K2723-K2725 PolarHBondContact O-N 3.24Å; K2725-N2727 VanDerWaalsContact C-N 3.35Å; K2725-N2727 VanDerWaalsContact O-CG 3.3Å; K2725-N2727 PolarHBondContact O-N 3.02Å; K2725-N2727 PolarHBondContact O-ND2 3.09Å; K2725-N2727 VanDerWaalsContact O-ND2 3.07Å; K2725-N2727 PolarHBondContact O-OD1 2.88Å
2726N54.7Low57.7Low61.8 Ų61.8108.7 Ų108.733%0.3356%0.555SS.*  trans-60.2103.3169.4-74.9-8.6000108.2M2675 L2714 T2724 Y2728M2675-N2726 HydrophobicContact CE-CB 4.22Å; M2675-N2726 VanDerWaalsContact CE-CG 3.43Å; M2675-N2726 VanDerWaalsContact CE-ND2 3.3Å; M2675-N2726 WeakPolarHBondContact CE-ND2 3.39Å; M2675-N2726 VanDerWaalsContact CE-OD1 3.26Å; M2675-N2726 WeakPolarHBondContact CE-OD1 3.38Å; M2675-N2726 HydrophobicContact SD-CB 4.26Å; M2675-N2726 PolarHBondContact SD-ND2 2.92Å; M2675-N2726 VanDerWaalsContact SD-ND2 3.41Å; L2714-N2726 WeakPolarHBondContact CD1-ND2 3.37Å; L2714-N2726 VanDerWaalsContact CD2-ND2 3.31Å; L2714-N2726 WeakPolarHBondContact CD2-ND2 3.41Å; L2714-N2726 WeakPolarHBondContact CG-ND2 3.48Å; T2724-N2726 PolarHBondContact O-N 3.11Å; T2724-N2726 VanDerWaalsContact O-N 3.11Å; N2726-Y2728 VanDerWaalsContact C-N 3.29Å; N2726-Y2728 HydrophobicContact CB-CD2 4.27Å; N2726-Y2728 HydrophobicContact CB-CE1 4.09Å; N2726-Y2728 HydrophobicContact CB-CE2 3.62Å; N2726-Y2728 VanDerWaalsContact CB-CE2 3.44Å; N2726-Y2728 VanDerWaalsContact CB-CZ 3.46Å; N2726-Y2728 PolarHBondContact ND2-OH 3.02Å; N2726-Y2728 VanDerWaalsContact ND2-OH 3.12Å; N2726-Y2728 WeakPolarHBondContact O-CD2 3.43Å; N2726-Y2728 WeakPolarHBondContact O-CE2 3.29Å; N2726-Y2728 PolarHBondContact O-N 3.17Å
2727N60.3Low59.4Low116.6 Ų116.6103.6 Ų103.662%0.62453%0.531SS*.  trans-81.175.5-176.1-75.9-36.5000109.8K2725 L2729 K2806K2725-N2727 VanDerWaalsContact C-N 3.35Å; K2725-N2727 VanDerWaalsContact O-CG 3.3Å; K2725-N2727 PolarHBondContact O-N 3.02Å; K2725-N2727 PolarHBondContact O-ND2 3.09Å; K2725-N2727 VanDerWaalsContact O-ND2 3.07Å; K2725-N2727 PolarHBondContact O-OD1 2.88Å; N2727-L2729 PolarHBondContact O-N 3Å; N2727-K2806 PolarHBondContact OD1-NZ 3.44Å
2728Y71.5Confident60.8Low74.2 Ų74.2103.6 Ų103.629%0.29153%0.525SS..  trans-60.7125.3171.2-57.8-67000110.1I2673 Y2674 M2675 L2680 F2703 L2714 N2726I2673-Y2728 HydrophobicContact CG2-CD1 4.08Å; I2673-Y2728 HydrophobicContact CG2-CG 4.4Å; Y2674-Y2728 WeakPolarHBondContact O-CA 3.43Å; M2675-Y2728 HydrophobicContact CB-CD1 4.27Å; M2675-Y2728 HydrophobicContact CB-CE1 4.32Å; M2675-Y2728 HydrophobicContact CE-CD1 4.44Å; M2675-Y2728 HydrophobicContact CE-CE1 3.84Å; M2675-Y2728 HydrophobicContact CG-CD1 4.37Å; M2675-Y2728 HydrophobicContact CG-CE1 4.28Å; M2675-Y2728 HydrophobicContact SD-CD1 4.42Å; M2675-Y2728 HydrophobicContact SD-CE1 3.81Å; M2675-Y2728 VanDerWaalsContact SD-CE1 3.59Å; L2680-Y2728 HydrophobicContact CD1-CD1 3.85Å; L2680-Y2728 HydrophobicContact CD1-CE1 3.74Å; F2703-Y2728 HydrophobicContact CE1-CD2 4.46Å; F2703-Y2728 HydrophobicContact CE1-CE2 4.44Å; F2703-Y2728 AromaticContact CE2-CD1 3.87Å; F2703-Y2728 HydrophobicContact CE2-CD1 4.1Å; F2703-Y2728 AromaticContact CE2-CE1 3.87Å; F2703-Y2728 HydrophobicContact CE2-CE1 4.01Å; F2703-Y2728 HydrophobicContact CE2-CG 4.33Å; F2703-Y2728 AromaticContact CZ-CD1 3.94Å; F2703-Y2728 HydrophobicContact CZ-CD1 4.03Å; F2703-Y2728 AromaticContact CZ-CD2 3.89Å; F2703-Y2728 HydrophobicContact CZ-CD2 3.94Å; F2703-Y2728 AromaticContact CZ-CE1 3.7Å; F2703-Y2728 HydrophobicContact CZ-CE1 3.79Å; F2703-Y2728 VanDerWaalsContact CZ-CE1 3.47Å; F2703-Y2728 AromaticContact CZ-CE2 3.77Å; F2703-Y2728 HydrophobicContact CZ-CE2 3.77Å; F2703-Y2728 AromaticContact CZ-CG 3.97Å; F2703-Y2728 HydrophobicContact CZ-CG 4.08Å; F2703-Y2728 AromaticContact CZ-CZ 3.74Å; L2714-Y2728 WeakPolarHBondContact CD1-OH 3.32Å; N2726-Y2728 VanDerWaalsContact C-N 3.29Å; N2726-Y2728 HydrophobicContact CB-CD2 4.27Å; N2726-Y2728 HydrophobicContact CB-CE1 4.09Å; N2726-Y2728 HydrophobicContact CB-CE2 3.62Å; N2726-Y2728 VanDerWaalsContact CB-CE2 3.44Å; N2726-Y2728 VanDerWaalsContact CB-CZ 3.46Å; N2726-Y2728 PolarHBondContact ND2-OH 3.02Å; N2726-Y2728 VanDerWaalsContact ND2-OH 3.12Å; N2726-Y2728 WeakPolarHBondContact O-CD2 3.43Å; N2726-Y2728 WeakPolarHBondContact O-CE2 3.29Å; N2726-Y2728 PolarHBondContact O-N 3.17Å
2729L75.1Confident61.7Low85 Ų8597.9 Ų97.945%0.44550%0.503SS..EExtended strand (participates in β ladder)trans-118.9114.2-177-169.784.1000109.9Y2674 N2727 K2731 S2803Y2674-L2729 WeakPolarHBondContact CB-O 3.39Å; Y2674-L2729 PolarHBondContact N-O 3.19Å; Y2674-L2729 PolarHBondContact O-N 3.24Å; N2727-L2729 PolarHBondContact O-N 3Å; L2729-K2731 HydrophobicContact CD2-CD 4.43Å; L2729-K2731 HydrophobicContact CD2-CG 4.1Å; L2729-K2731 HydrophobicContact CG-CG 4.23Å; L2729-K2731 PolarHBondContact O-N 3.03Å; L2729-S2803 VanDerWaalsContact CD1-O 3.31Å; L2729-S2803 WeakPolarHBondContact CD1-O 3.24Å
2730I81.1Confident62.8Low62 Ų6296.3 Ų96.332%0.31850%0.495SS..EExtended strand (participates in β ladder)trans-73.9123.1170.5-54.9173.8000108.3L2671 G2672 I2673 L2699 I2807L2671-I2730 HydrophobicContact CD1-CG2 3.63Å; L2671-I2730 HydrophobicContact CD2-CG2 4.23Å; L2671-I2730 HydrophobicContact CG-CG2 3.99Å; G2672-I2730 CarbonylContact O-C 3.58Å; G2672-I2730 WeakPolarHBondContact O-CA 3.4Å; I2673-I2730 HydrophobicContact CG1-CG1 4.35Å; L2699-I2730 HydrophobicContact CD1-CG2 4.48Å; L2699-I2730 HydrophobicContact CD2-CD1 4.04Å; L2699-I2730 HydrophobicContact CD2-CG1 4.2Å; L2699-I2730 HydrophobicContact CD2-CG2 4.22Å; I2730-I2807 HydrophobicContact CD1-CD1 3.6Å; I2730-I2807 HydrophobicContact CD1-CG1 4.05Å
2731K82.3Confident63.8Low78.4 Ų78.493.2 Ų93.234%0.34146%0.46SS..EExtended strand (participates in β ladder)trans-121.9142.9172.6-72-176.4-173169.20110.8G2672 Y2674 L2729G2672-K2731 PolarHBondContact N-O 3.22Å; G2672-K2731 PolarHBondContact O-N 3.01Å; Y2674-K2731 HydrophobicContact CD1-CD 4.08Å; Y2674-K2731 VanDerWaalsContact CD1-CE 3.5Å; Y2674-K2731 HydrophobicContact CD2-CB 3.83Å; Y2674-K2731 HydrophobicContact CD2-CD 3.83Å; Y2674-K2731 HydrophobicContact CD2-CG 3.72Å; Y2674-K2731 HydrophobicContact CE1-CD 4.24Å; Y2674-K2731 VanDerWaalsContact CE1-NZ 3.25Å; Y2674-K2731 HydrophobicContact CE2-CB 3.7Å; Y2674-K2731 HydrophobicContact CE2-CD 3.85Å; Y2674-K2731 VanDerWaalsContact CE2-CD 3.47Å; Y2674-K2731 HydrophobicContact CE2-CG 4.03Å; Y2674-K2731 HydrophobicContact CG-CD 4.05Å; Y2674-K2731 VanDerWaalsContact CG-CE 3.47Å; Y2674-K2731 HydrophobicContact CG-CG 4.24Å; L2729-K2731 HydrophobicContact CD2-CD 4.43Å; L2729-K2731 HydrophobicContact CD2-CG 4.1Å; L2729-K2731 HydrophobicContact CG-CG 4.23Å; L2729-K2731 PolarHBondContact O-N 3.03Å
2732L85.1Confident64.6Low83 Ų8389.5 Ų89.544%0.43544%0.44SS..EExtended strand (participates in β ladder)trans-89.4115.7162.8-175.169.4000108.2L2669 F2670 L2671 L2685L2669-L2732 HydrophobicContact CD2-CD2 4.37Å; L2669-L2732 HydrophobicContact CD2-CG 4.31Å; F2670-L2732 CarbonylContact O-C 3.45Å; F2670-L2732 WeakPolarHBondContact O-CA 3.39Å; L2671-L2732 HydrophobicContact CD1-CB 4.43Å; L2671-L2732 HydrophobicContact CD1-CD1 4.3Å; L2685-L2732 HydrophobicContact CD1-CD1 3.61Å; L2685-L2732 HydrophobicContact CD2-CD1 4.18Å
2733G80.8Confident64.8Low13.8 Ų13.887.2 Ų87.214%0.14243%0.433CS..EExtended strand (participates in β ladder)trans-108.3167174.400000111.8L2669 F2670L2669-G2733 CarbonylContact C-O 3.46Å; L2669-G2733 WeakPolarHBondContact CA-O 3.46Å; F2670-G2733 PolarHBondContact N-O 3.12Å; F2670-G2733 PolarHBondContact O-N 3.12Å
2734Y83.9Confident64.9Low133.8 Ų133.881.7 Ų81.753%0.52542%0.415SS..EExtended strand (participates in β ladder)trans-137.7147.3171.564.4-89.6000110.6L2667 S2668L2667-Y2734 HydrophobicContact CD1-CD2 3.84Å; L2667-Y2734 HydrophobicContact CD1-CE2 4.46Å; L2667-Y2734 HydrophobicContact CD1-CG 4.28Å; L2667-Y2734 HydrophobicContact CD2-CD2 4.1Å; L2667-Y2734 HydrophobicContact CD2-CG 4.25Å; L2667-Y2734 HydrophobicContact CG-CD2 4.35Å; S2668-Y2734 VanDerWaalsContact O-CA 3.27Å; S2668-Y2734 WeakPolarHBondContact O-CA 3.34Å; S2668-Y2734 WeakPolarHBondContact O-CB 3.29Å
2735R76.7Confident64.6Low80.2 Ų80.282.5 Ų82.530%0.30341%0.41SS..EExtended strand (participates in β ladder)trans-139.9165.7166.469.5165.1170.9-120.25.3109.4L2667 S2668 F2670 Q2682 W2737 D2741L2667-R2735 WeakPolarHBondContact CA-O 3.39Å; L2667-R2735 WeakPolarHBondContact CD2-O 3.27Å; S2668-R2735 PolarHBondContact N-O 3.16Å; S2668-R2735 PolarHBondContact O-N 3.11Å; S2668-R2735 VanDerWaalsContact O-N 3.13Å; F2670-R2735 HydrophobicContact CD2-CB 3.88Å; F2670-R2735 HydrophobicContact CD2-CG 4.05Å; F2670-R2735 HydrophobicContact CE1-CG 4.44Å; F2670-R2735 VanDerWaalsContact CE1-CZ 3.5Å; F2670-R2735 HydrophobicContact CE2-CB 3.95Å; F2670-R2735 HydrophobicContact CE2-CG 3.52Å; F2670-R2735 HydrophobicContact CZ-CB 4.5Å; F2670-R2735 HydrophobicContact CZ-CG 3.93Å; F2670-R2735 VanDerWaalsContact CZ-NE 3.29Å; F2670-R2735 VanDerWaalsContact CZ-NH2 3.3Å; Q2682-R2735 VanDerWaalsContact OE1-NH1 3.13Å; R2735-W2737 PolarHBondContact O-N 3.04Å; R2735-D2741 IonicContact CZ-OD1 2.97Å; R2735-D2741 VanDerWaalsContact CZ-OD1 3.28Å; R2735-D2741 IonicContact CZ-OD2 3.1Å; R2735-D2741 VanDerWaalsContact CZ-OD2 3.24Å; R2735-D2741 IonicContact NE-OD1 2.91Å; R2735-D2741 PolarHBondContact NE-OD1 3.09Å; R2735-D2741 VanDerWaalsContact NE-OD1 3.13Å; R2735-D2741 IonicContact NE-OD2 3.23Å; R2735-D2741 PolarHBondContact NE-OD2 2.77Å; R2735-D2741 VanDerWaalsContact NH2-CG 3.25Å; R2735-D2741 IonicContact NH2-OD1 3.38Å; R2735-D2741 PolarHBondContact NH2-OD1 3.05Å; R2735-D2741 IonicContact NH2-OD2 2.65Å; R2735-D2741 PolarHBondContact NH2-OD2 3.33Å
2736F75.6Confident63.7Low115.8 Ų115.879 Ų7951%0.50841%0.406SS..EExtended strand (participates in β ladder)trans-63.4135.3159.2-68.3-67.8000108.4S2665 L2667S2665-F2736 WeakPolarHBondContact O-CD1 3.34Å; L2667-F2736 HydrophobicContact CD1-CE1 4.4Å; L2667-F2736 HydrophobicContact CD1-CE2 4.42Å; L2667-F2736 HydrophobicContact CD1-CZ 4.22Å; L2667-F2736 HydrophobicContact CD2-CD1 4.38Å
2737W71.2Confident62.4Low76 Ų7679.9 Ų79.929%0.28842%0.417SS..  trans-65.7137172.3172.893.3000109.5D2662 S2665 R2666 S2668 R2735 A2739 D2741 D2742D2662-W2737 VanDerWaalsContact O-CZ3 3.31Å; D2662-W2737 WeakPolarHBondContact O-CZ3 3.22Å; S2665-W2737 CarbonylContact C-O 3.58Å; S2665-W2737 WeakPolarHBondContact CA-O 3.39Å; R2666-W2737 HydrophobicContact CB-CB 3.93Å; R2666-W2737 HydrophobicContact CB-CG 4.3Å; R2666-W2737 HydrophobicContact CG-CB 4.09Å; R2666-W2737 HydrophobicContact CG-CD2 4.5Å; R2666-W2737 HydrophobicContact CG-CE3 3.78Å; R2666-W2737 HydrophobicContact CG-CG 4.21Å; R2666-W2737 HydrophobicContact CG-CZ3 4.38Å; R2666-W2737 PolarHBondContact N-O 2.95Å; R2666-W2737 VanDerWaalsContact N-O 3.14Å; R2666-W2737 VanDerWaalsContact NH1-NE1 3.12Å; R2666-W2737 VanDerWaalsContact O-CB 3.28Å; R2666-W2737 WeakPolarHBondContact O-CB 3.28Å; R2666-W2737 PolarHBondContact O-N 3.3Å; S2668-W2737 WeakPolarHBondContact OG-CA 3.39Å; R2735-W2737 PolarHBondContact O-N 3.04Å; W2737-A2739 HydrophobicContact CH2-CB 4.05Å; W2737-A2739 HydrophobicContact CZ2-CB 4.36Å; W2737-A2739 HydrophobicContact CZ3-CB 4.37Å; W2737-D2741 HydrophobicContact CG-CB 4.34Å; W2737-D2742 WeakPolarHBondContact CZ2-OD2 3.4Å; W2737-D2742 VanDerWaalsContact NE1-CG 3.29Å; W2737-D2742 PolarHBondContact NE1-OD1 3.16Å; W2737-D2742 VanDerWaalsContact NE1-OD1 3.13Å; W2737-D2742 PolarHBondContact NE1-OD2 2.92Å
2738D65.1Low61Low69.6 Ų69.679.2 Ų79.237%0.37242%0.417SS..  trans-116.2148.7170.8-167.24.2000107.9S2665 N2740 D2741S2665-D2738 VanDerWaalsContact CB-OD1 3.23Å; S2665-D2738 WeakPolarHBondContact CB-OD1 3.37Å; S2665-D2738 PolarHBondContact OG-OD1 2.94Å; D2738-N2740 VanDerWaalsContact CG-ND2 3.29Å; D2738-N2740 PolarHBondContact O-N 3.23Å; D2738-N2740 VanDerWaalsContact O-N 3.1Å; D2738-N2740 PolarHBondContact OD1-N 3.07Å; D2738-N2740 PolarHBondContact OD1-ND2 3.12Å; D2738-N2740 VanDerWaalsContact OD1-ND2 3.13Å; D2738-N2740 WeakPolarHBondContact OD2-CB 3.43Å; D2738-N2740 PolarHBondContact OD2-ND2 2.96Å; D2738-D2741 PolarHBondContact N-OD2 3.19Å; D2738-D2741 VanDerWaalsContact N-OD2 3.11Å; D2738-D2741 VanDerWaalsContact O-CB 3.24Å; D2738-D2741 WeakPolarHBondContact O-CB 3.29Å; D2738-D2741 PolarHBondContact O-N 3.09Å
2739A60Low58.9Low51.6 Ų51.682.1 Ų82.143%0.42644%0.437SS..Hα-helixtrans-57.3-27.217800000112.6W2737 D2741 D2742W2737-A2739 HydrophobicContact CH2-CB 4.05Å; W2737-A2739 HydrophobicContact CZ2-CB 4.36Å; W2737-A2739 HydrophobicContact CZ3-CB 4.37Å; A2739-D2741 VanDerWaalsContact C-N 3.29Å; A2739-D2741 PolarHBondContact O-N 3.32Å; A2739-D2742 PolarHBondContact O-N 2.98Å; A2739-D2742 VanDerWaalsContact O-N 3.16Å
2740N57.6Low56.7Low99.6 Ų99.683.1 Ų83.153%0.53345%0.447SS..Hα-helixtrans-62.4-26.9173.2-64-54.5000113.6D2738 D2742 C2743 V2744D2738-N2740 VanDerWaalsContact CG-ND2 3.29Å; D2738-N2740 PolarHBondContact O-N 3.23Å; D2738-N2740 VanDerWaalsContact O-N 3.1Å; D2738-N2740 PolarHBondContact OD1-N 3.07Å; D2738-N2740 PolarHBondContact OD1-ND2 3.12Å; D2738-N2740 VanDerWaalsContact OD1-ND2 3.13Å; D2738-N2740 WeakPolarHBondContact OD2-CB 3.43Å; D2738-N2740 PolarHBondContact OD2-ND2 2.96Å; N2740-D2742 VanDerWaalsContact C-N 3.31Å; N2740-D2742 PolarHBondContact O-N 3.18Å; N2740-C2743 WeakPolarHBondContact O-CA 3.33Å; N2740-C2743 WeakPolarHBondContact O-CB 3.37Å; N2740-C2743 PolarHBondContact O-N 3.14Å; N2740-C2743 VanDerWaalsContact O-N 3.14Å; N2740-V2744 WeakPolarHBondContact O-CG2 3.42Å; N2740-V2744 PolarHBondContact O-N 3.16Å; N2740-V2744 VanDerWaalsContact O-N 3.14Å
2741D56.3Low54.1Low15.2 Ų15.285.8 Ų85.88%0.08147%0.466CS..Hα-helixtrans-62.2-32.1179.7-83.8-17.9000112.3S2668 F2670 R2686 R2735 W2737 D2738 A2739 C2743 K2745S2668-D2741 VanDerWaalsContact CB-OD2 3.31Å; S2668-D2741 WeakPolarHBondContact CB-OD2 3.38Å; S2668-D2741 PolarHBondContact OG-OD2 3.03Å; F2670-D2741 WeakPolarHBondContact CE1-OD2 3.3Å; F2670-D2741 WeakPolarHBondContact CZ-OD2 3.34Å; R2686-D2741 VanDerWaalsContact CZ-O 3.28Å; R2686-D2741 PolarHBondContact NE-O 3.4Å; R2686-D2741 PolarHBondContact NH2-O 2.99Å; R2735-D2741 IonicContact CZ-OD1 2.97Å; R2735-D2741 VanDerWaalsContact CZ-OD1 3.28Å; R2735-D2741 IonicContact CZ-OD2 3.1Å; R2735-D2741 VanDerWaalsContact CZ-OD2 3.24Å; R2735-D2741 IonicContact NE-OD1 2.91Å; R2735-D2741 PolarHBondContact NE-OD1 3.09Å; R2735-D2741 VanDerWaalsContact NE-OD1 3.13Å; R2735-D2741 IonicContact NE-OD2 3.23Å; R2735-D2741 PolarHBondContact NE-OD2 2.77Å; R2735-D2741 VanDerWaalsContact NH2-CG 3.25Å; R2735-D2741 IonicContact NH2-OD1 3.38Å; R2735-D2741 PolarHBondContact NH2-OD1 3.05Å; R2735-D2741 IonicContact NH2-OD2 2.65Å; R2735-D2741 PolarHBondContact NH2-OD2 3.33Å; W2737-D2741 HydrophobicContact CG-CB 4.34Å; D2738-D2741 PolarHBondContact N-OD2 3.19Å; D2738-D2741 VanDerWaalsContact N-OD2 3.11Å; D2738-D2741 VanDerWaalsContact O-CB 3.24Å; D2738-D2741 WeakPolarHBondContact O-CB 3.29Å; D2738-D2741 PolarHBondContact O-N 3.09Å; A2739-D2741 VanDerWaalsContact C-N 3.29Å; A2739-D2741 PolarHBondContact O-N 3.32Å; D2741-C2743 VanDerWaalsContact C-N 3.35Å; D2741-K2745 VanDerWaalsContact CB-NZ 3.25Å; D2741-K2745 VanDerWaalsContact O-CD 3.3Å; D2741-K2745 WeakPolarHBondContact O-CD 3.37Å; D2741-K2745 WeakPolarHBondContact O-CE 3.34Å; D2741-K2745 WeakPolarHBondContact O-CG 3.18Å; D2741-K2745 PolarHBondContact O-NZ 2.85Å; D2741-K2745 IonicContact OD1-NZ 3.71Å; D2741-K2745 IonicContact OD2-NZ 3.97Å; D2741-K2745 PolarHBondContact OD2-NZ 3.18Å
2742D51.7Low51.4Low75.6 Ų75.686.8 Ų86.840%0.40447%0.474SS..Hα-helixtrans-83.1-24.3-179.8-74.1-14.6000112.2R2666 R2686 W2737 A2739 N2740 V2744R2666-D2742 IonicContact CZ-OD1 2.8Å; R2666-D2742 IonicContact CZ-OD2 3.57Å; R2666-D2742 IonicContact NH1-OD1 3.44Å; R2666-D2742 IonicContact NH1-OD2 3.24Å; R2666-D2742 PolarHBondContact NH1-OD2 3.48Å; R2666-D2742 IonicContact NH2-OD1 2.83Å; R2666-D2742 PolarHBondContact NH2-OD1 3.25Å; R2666-D2742 IonicContact NH2-OD2 2.88Å; R2686-D2742 IonicContact CZ-OD1 2.7Å; R2686-D2742 IonicContact CZ-OD2 3.5Å; R2686-D2742 IonicContact NE-OD1 2.99Å; R2686-D2742 PolarHBondContact NE-OD1 3.24Å; R2686-D2742 IonicContact NE-OD2 3.49Å; R2686-D2742 PolarHBondContact NE-OD2 3.41Å; R2686-D2742 VanDerWaalsContact NH1-CA 3.3Å; R2686-D2742 PolarHBondContact NH1-O 3.3Å; R2686-D2742 IonicContact NH1-OD1 3.47Å; R2686-D2742 PolarHBondContact NH1-OD1 3.2Å; R2686-D2742 VanDerWaalsContact NH1-OD1 3.08Å; R2686-D2742 IonicContact NH2-OD1 3.06Å; R2686-D2742 PolarHBondContact NH2-OD1 3.1Å; R2686-D2742 IonicContact NH2-OD2 2.7Å; R2686-D2742 PolarHBondContact NH2-OD2 2.97Å; R2686-D2742 VanDerWaalsContact NH2-OD2 3.08Å; W2737-D2742 WeakPolarHBondContact CZ2-OD2 3.4Å; W2737-D2742 VanDerWaalsContact NE1-CG 3.29Å; W2737-D2742 PolarHBondContact NE1-OD1 3.16Å; W2737-D2742 VanDerWaalsContact NE1-OD1 3.13Å; W2737-D2742 PolarHBondContact NE1-OD2 2.92Å; A2739-D2742 PolarHBondContact O-N 2.98Å; A2739-D2742 VanDerWaalsContact O-N 3.16Å; N2740-D2742 VanDerWaalsContact C-N 3.31Å; N2740-D2742 PolarHBondContact O-N 3.18Å; D2742-V2744 VanDerWaalsContact C-N 3.31Å; D2742-V2744 PolarHBondContact O-N 2.99Å
2743C41.5Very low48.6Very low85 Ų8587.6 Ų87.657%0.57449%0.487SS*.Hα-helixtrans-76.4-9.5-180-1620000113.9N2740 D2741 K2745N2740-C2743 WeakPolarHBondContact O-CA 3.33Å; N2740-C2743 WeakPolarHBondContact O-CB 3.37Å; N2740-C2743 PolarHBondContact O-N 3.14Å; N2740-C2743 VanDerWaalsContact O-N 3.14Å; D2741-C2743 VanDerWaalsContact C-N 3.35Å; C2743-K2745 PolarHBondContact O-N 3.33Å
2744V40.7Very low46Very low75.4 Ų75.492.2 Ų92.246%0.45751%0.512SS..  trans-76.431176.8172.30000112.7R2686 N2740 D2742 S2746 S2747 T2748 L2749R2686-V2744 PolarHBondContact NH1-O 3.47Å; R2686-V2744 VanDerWaalsContact NH1-O 3.13Å; R2686-V2744 VanDerWaalsContact NH2-CG2 3.33Å; R2686-V2744 PolarHBondContact NH2-O 2.82Å; N2740-V2744 WeakPolarHBondContact O-CG2 3.42Å; N2740-V2744 PolarHBondContact O-N 3.16Å; N2740-V2744 VanDerWaalsContact O-N 3.14Å; D2742-V2744 VanDerWaalsContact C-N 3.31Å; D2742-V2744 PolarHBondContact O-N 2.99Å; V2744-S2746 VanDerWaalsContact C-N 3.25Å; V2744-S2746 PolarHBondContact O-N 3.07Å; V2744-S2746 VanDerWaalsContact O-N 3.16Å; V2744-S2747 PolarHBondContact O-N 2.61Å; V2744-S2747 PolarHBondContact O-OG 2.78Å; V2744-S2747 VanDerWaalsContact O-OG 3.05Å; V2744-T2748 HydrophobicContact CG1-CG2 3.51Å; V2744-T2748 PolarHBondContact O-N 3.02Å; V2744-L2749 HydrophobicContact CG1-CD1 3.85Å
2745K35.8Very low43.2Very low118.6 Ų118.691.4 Ų91.452%0.51652%0.524SS..THydrogen-bonded Turntrans-77.548.6174.3-69.8-176.5178.8167.90113.2D2741 C2743 S2747 I2774 T2776D2741-K2745 VanDerWaalsContact CB-NZ 3.25Å; D2741-K2745 VanDerWaalsContact O-CD 3.3Å; D2741-K2745 WeakPolarHBondContact O-CD 3.37Å; D2741-K2745 WeakPolarHBondContact O-CE 3.34Å; D2741-K2745 WeakPolarHBondContact O-CG 3.18Å; D2741-K2745 PolarHBondContact O-NZ 2.85Å; D2741-K2745 IonicContact OD1-NZ 3.71Å; D2741-K2745 IonicContact OD2-NZ 3.97Å; D2741-K2745 PolarHBondContact OD2-NZ 3.18Å; C2743-K2745 PolarHBondContact O-N 3.33Å; K2745-S2747 PolarHBondContact O-N 3.26Å; K2745-I2774 HydrophobicContact CD-CB 4.37Å; K2745-I2774 HydrophobicContact CD-CD1 4.18Å; K2745-I2774 HydrophobicContact CD-CG2 4.28Å; K2745-T2776 PolarHBondContact O-N 3.33Å; K2745-T2776 PolarHBondContact O-OG1 3.35Å
2746S30.3Very low40.7Very low88 Ų8893 Ų9362%0.61555%0.546SS*.THydrogen-bonded Turntrans-103.410.1-179.6-710000115.6V2744 T2773 I2774 R2775 N3407V2744-S2746 VanDerWaalsContact C-N 3.25Å; V2744-S2746 PolarHBondContact O-N 3.07Å; V2744-S2746 VanDerWaalsContact O-N 3.16Å; S2746-T2773 WeakPolarHBondContact OG-CG2 3.4Å; S2746-I2774 CarbonylContact C-O 3.56Å; S2746-I2774 VanDerWaalsContact C-O 3.27Å; S2746-I2774 WeakPolarHBondContact CA-O 3.13Å; S2746-I2774 CarbonylContact O-C 3.53Å; S2746-I2774 PolarHBondContact O-N 3.46Å; S2746-R2775 WeakPolarHBondContact OG-CG 3.46Å; S2746-R2775 PolarHBondContact OG-N 2.9Å; S2746-N3407 WeakPolarHBondContact CB-OD1 3.26Å; S2746-N3407 PolarHBondContact OG-OD1 2.73Å
2747S28Very low38.3Very low80.8 Ų80.895 Ų9557%0.56556%0.56SS**THydrogen-bonded Turntrans-134.2-2.4-167.717.60000114.6V2744 K2745 L2749 T2750V2744-S2747 PolarHBondContact O-N 2.61Å; V2744-S2747 PolarHBondContact O-OG 2.78Å; V2744-S2747 VanDerWaalsContact O-OG 3.05Å; K2745-S2747 PolarHBondContact O-N 3.26Å; S2747-L2749 VanDerWaalsContact C-N 3.32Å; S2747-L2749 PolarHBondContact O-N 3.09Å; S2747-T2750 PolarHBondContact O-N 3.1Å; S2747-T2750 PolarHBondContact O-OG1 3.26Å
2748T29.7Very low36.1Very low100.6 Ų100.696 Ų9662%0.61759%0.585SS**  trans-106.949.6177.340.50000112.9V2744 T2750V2744-T2748 HydrophobicContact CG1-CG2 3.51Å; V2744-T2748 PolarHBondContact O-N 3.02Å; T2748-T2750 PolarHBondContact O-N 2.95Å
2749L29.2Very low34.3Very low136 Ų13696 Ų9671%0.71260%0.601SS**SBendtrans-116.738.9157-139.6128.4000110.1V2744 S2747 T2751 I2774 Y2778V2744-L2749 HydrophobicContact CG1-CD1 3.85Å; S2747-L2749 VanDerWaalsContact C-N 3.32Å; S2747-L2749 PolarHBondContact O-N 3.09Å; L2749-T2751 VanDerWaalsContact C-N 3.28Å; L2749-T2751 PolarHBondContact O-N 3.14Å; L2749-T2751 VanDerWaalsContact O-N 3.15Å; L2749-I2774 HydrophobicContact CB-CD1 4.16Å; L2749-Y2778 HydrophobicContact CD1-CE2 4.49Å
2750T27.7Very low32.7Very low105.2 Ų105.2100.3 Ų100.365%0.64562%0.617SS**SBendtrans-109.2115.2170.347.50000108.9S2747 T2748 I2752 I2774S2747-T2750 PolarHBondContact O-N 3.1Å; S2747-T2750 PolarHBondContact O-OG1 3.26Å; T2748-T2750 PolarHBondContact O-N 2.95Å; T2750-I2752 VanDerWaalsContact C-N 3.35Å; T2750-I2752 PolarHBondContact O-N 3.38Å; T2750-I2774 HydrophobicContact CG2-CD1 4.31Å
2751T27.1Very low31.4Very low119.2 Ų119.2101.5 Ų101.573%0.73162%0.624SS**  trans23.794.8165.446.80000113.3L2749 S2753L2749-T2751 VanDerWaalsContact C-N 3.28Å; L2749-T2751 PolarHBondContact O-N 3.14Å; L2749-T2751 VanDerWaalsContact O-N 3.15Å; T2751-S2753 PolarHBondContact O-N 2.99Å; T2751-S2753 VanDerWaalsContact O-N 3.16Å
2752I26.2Very low30.1Very low99 Ų99106.8 Ų106.851%0.50865%0.652SS.*  trans-59.1120.8148.7-68169.2000106.3E2711 Y2712 T2750 T2754E2711-I2752 HydrophobicContact CB-CD1 4.02Å; E2711-I2752 HydrophobicContact CG-CD1 4.34Å; E2711-I2752 HydrophobicContact CG-CG2 4.14Å; E2711-I2752 WeakPolarHBondContact OE1-CD1 3.46Å; E2711-I2752 WeakPolarHBondContact OE1-CG2 3.37Å; E2711-I2752 VanDerWaalsContact OE2-CD1 3.23Å; E2711-I2752 WeakPolarHBondContact OE2-CD1 3.39Å; Y2712-I2752 HydrophobicContact CE2-CD1 4.31Å; T2750-I2752 VanDerWaalsContact C-N 3.35Å; T2750-I2752 PolarHBondContact O-N 3.38Å; I2752-T2754 HydrophobicContact CG2-CG2 4.01Å; I2752-T2754 PolarHBondContact O-N 3.23Å
2753S25.3Very low29Very low101.4 Ų101.4109.6 Ų109.671%0.70967%0.667SS**  trans-103.2100.7173.7-69.30000108.9T2751 P2755T2751-S2753 PolarHBondContact O-N 2.99Å; T2751-S2753 VanDerWaalsContact O-N 3.16Å; S2753-P2755 VanDerWaalsContact O-N 3.11Å
2754T26Very low28.5Very low108.6 Ų108.6111.8 Ų111.867%0.66667%0.673SS**  trans-60138173.530.80000110.2I2752 C2756I2752-T2754 HydrophobicContact CG2-CG2 4.01Å; I2752-T2754 PolarHBondContact O-N 3.23Å; T2754-C2756 PolarHBondContact O-N 2.91Å; T2754-C2756 VanDerWaalsContact O-N 3.13Å
2755P25.5Very low27.9Very low118 Ų118114.3 Ų114.377%0.76668%0.684SS**  trans-75.1118.1-173.230.1-35.1000111.2S2753 I2757S2753-P2755 VanDerWaalsContact O-N 3.11Å; P2755-I2757 PolarHBondContact O-N 3.14Å
2756C23.6Very low27.5Very low114.2 Ų114.2115.3 Ų115.377%0.77270%0.695SS**  trans-78.9107.4178.3-20.40000112.8T2754 A2758T2754-C2756 PolarHBondContact O-N 2.91Å; T2754-C2756 VanDerWaalsContact O-N 3.13Å; C2756-A2758 PolarHBondContact O-N 3.03Å
2757I26.3Very low27.5Very low156.4 Ų156.4119.1 Ų119.180%0.80270%0.703SS**  trans-78.4121.6152.6-65.4170000110.7P2755 G2759P2755-I2757 PolarHBondContact O-N 3.14Å; I2757-G2759 PolarHBondContact O-N 3.09Å
2758A24.8Very low27.4Very low97.4 Ų97.4121.8 Ų121.881%0.80571%0.71SS**  trans-52.1131.7174.200000114.1C2756C2756-A2758 PolarHBondContact O-N 3.03Å
2759G26.8Very low27.3Very low70.2 Ų70.2123 Ų12372%0.72472%0.718SS**  trans-173.878.117600000114.6I2757I2757-G2759 PolarHBondContact O-N 3.09Å
2760D27.3Very low27.2Very low142.2 Ų142.2123.6 Ų123.676%0.7672%0.722SS**  trans11.7125.3156.5-69.4-1.9000120.2
2761N29Very low27.1Very low124 Ų124122.3 Ų122.366%0.66373%0.729SS**  114.3118.9112.7-77.2-54.8000119.8
2762N29.1Very low27.1Very low127 Ų127121.2 Ų121.268%0.67973%0.726SS**  65.6121.7129.1-61.4-33.6000122.1
2763N29.8Very low27.1Very low134.8 Ų134.8121.7 Ų121.772%0.72173%0.734SS**  98.1115.9123-69.3-23.5000120.4
2764N29.4Very low27.1Very low131 Ų131122.7 Ų122.770%0.70173%0.73SS**  trans71.7120.3134.7-58-18.6000119.5
2765N30.1Very low27Very low128.4 Ų128.4126.3 Ų126.369%0.68773%0.731SS**  124.8127.7121.6-73.4-17.8000117.1D2367 G2369D2367-N2765 PolarHBondContact O-OD1 3.44Å; G2369-N2765 PolarHBondContact N-ND2 2.64Å
2766N27.5Very low27.1Very low138.8 Ų138.8124.4 Ų124.474%0.74272%0.718SS**  trans44.3135.5155.9-59.8-7.8000116.3
2767H28.4Very low27.3Very low168.8 Ų168.8124.4 Ų124.478%0.78171%0.709SS**  trans176.5127.5136.1-107.9-65.1000115.1V2769H2767-V2769 PolarHBondContact O-N 2.95Å
2768D26.1Very low27.4Very low135.6 Ų135.6124.4 Ų124.473%0.72570%0.7SS**  trans-89.3118159-64.8-55000114.3
2769V29.1Very low27.6Very low127.2 Ų127.2121.7 Ų121.777%0.77168%0.681SS**  trans-142.7101.7146.2179.30000111.7H2767 G2771H2767-V2769 PolarHBondContact O-N 2.95Å; V2769-G2771 PolarHBondContact O-N 3.2Å; V2769-G2771 VanDerWaalsContact O-N 3.11Å
2770N26.8Very low28.1Very low148.6 Ų148.6125.1 Ų125.180%0.79568%0.676SS**  trans26.494165.9-67.6-25.3000116.4S2772N2770-S2772 PolarHBondContact O-N 3.11Å; N2770-S2772 VanDerWaalsContact O-N 3.15Å
2771G26Very low28.7Very low77.2 Ų77.2120.9 Ų120.980%0.79666%0.661SS**  trans-91.691164.300000111.7V2769 T2773V2769-G2771 PolarHBondContact O-N 3.2Å; V2769-G2771 VanDerWaalsContact O-N 3.11Å; G2771-T2773 PolarHBondContact O-N 3.21Å
2772S25.8Very low29.4Very low96.2 Ų96.2115.9 Ų115.967%0.67363%0.634SS**  trans-80109.6-17962.90000111.5N2770 I2774N2770-S2772 PolarHBondContact O-N 3.11Å; N2770-S2772 VanDerWaalsContact O-N 3.15Å; S2772-I2774 VanDerWaalsContact C-N 3.29Å; S2772-I2774 PolarHBondContact O-N 2.98Å
2773T26.1Very low30.1Very low109 Ų109110.9 Ų110.967%0.66961%0.607SS**  trans-45.783175.8-43.90000114.2S2746 G2771 R2775S2746-T2773 WeakPolarHBondContact OG-CG2 3.4Å; G2771-T2773 PolarHBondContact O-N 3.21Å; T2773-R2775 VanDerWaalsContact C-N 3.28Å; T2773-R2775 HydrophobicContact CG2-CB 4.41Å; T2773-R2775 HydrophobicContact CG2-CG 4.08Å; T2773-R2775 PolarHBondContact O-N 3.15Å
2774I26.1Very low30.8Very low123.6 Ų123.6107.3 Ų107.363%0.63459%0.588SS**  trans-69.569161.3-49.3-179.2000110.3K2745 S2746 L2749 T2750 S2772 T2776K2745-I2774 HydrophobicContact CD-CB 4.37Å; K2745-I2774 HydrophobicContact CD-CD1 4.18Å; K2745-I2774 HydrophobicContact CD-CG2 4.28Å; S2746-I2774 CarbonylContact C-O 3.56Å; S2746-I2774 VanDerWaalsContact C-O 3.27Å; S2746-I2774 WeakPolarHBondContact CA-O 3.13Å; S2746-I2774 CarbonylContact O-C 3.53Å; S2746-I2774 PolarHBondContact O-N 3.46Å; L2749-I2774 HydrophobicContact CB-CD1 4.16Å; T2750-I2774 HydrophobicContact CG2-CD1 4.31Å; S2772-I2774 VanDerWaalsContact C-N 3.29Å; S2772-I2774 PolarHBondContact O-N 2.98Å; I2774-T2776 WeakPolarHBondContact CG2-OG1 3.38Å; I2774-T2776 PolarHBondContact O-N 3Å; I2774-T2776 VanDerWaalsContact O-N 3.09Å
2775R24.2Very low31.4Very low183 Ų183108.3 Ų108.369%0.69159%0.586SS**  trans-78109.9160.4-80.6-177.2176.1-157.1-1.6108.2S2746 T2773 I2777 E3410S2746-R2775 WeakPolarHBondContact OG-CG 3.46Å; S2746-R2775 PolarHBondContact OG-N 2.9Å; T2773-R2775 VanDerWaalsContact C-N 3.28Å; T2773-R2775 HydrophobicContact CG2-CB 4.41Å; T2773-R2775 HydrophobicContact CG2-CG 4.08Å; T2773-R2775 PolarHBondContact O-N 3.15Å; R2775-I2777 VanDerWaalsContact C-N 3.34Å; R2775-I2777 HydrophobicContact CB-CG1 4.38Å; R2775-I2777 WeakPolarHBondContact O-CD1 3.47Å; R2775-I2777 VanDerWaalsContact O-CG1 3.26Å; R2775-I2777 WeakPolarHBondContact O-CG1 3.46Å; R2775-I2777 PolarHBondContact O-N 3.16Å; R2775-I2777 VanDerWaalsContact O-N 3.13Å; R2775-E3410 VanDerWaalsContact CD-OE1 3.29Å; R2775-E3410 WeakPolarHBondContact CD-OE1 3.4Å; R2775-E3410 IonicContact CZ-OE1 3.43Å; R2775-E3410 IonicContact NE-OE1 3.42Å; R2775-E3410 IonicContact NH1-OE1 2.72Å; R2775-E3410 PolarHBondContact NH1-OE1 3.47Å
2776T26.6Very low32Very low79.8 Ų79.8105.7 Ų105.749%0.4957%0.57SS.*  trans-55.998.3175.8-490000111.9L2705 K2745 I2774 Y2778L2705-T2776 HydrophobicContact CD1-CG2 3.59Å; L2705-T2776 HydrophobicContact CD2-CG2 4.11Å; K2745-T2776 PolarHBondContact O-N 3.33Å; K2745-T2776 PolarHBondContact O-OG1 3.35Å; I2774-T2776 WeakPolarHBondContact CG2-OG1 3.38Å; I2774-T2776 PolarHBondContact O-N 3Å; I2774-T2776 VanDerWaalsContact O-N 3.09Å; T2776-Y2778 HydrophobicContact CG2-CD1 4.32Å; T2776-Y2778 HydrophobicContact CG2-CD2 3.71Å; T2776-Y2778 VanDerWaalsContact CG2-CD2 3.49Å; T2776-Y2778 HydrophobicContact CG2-CE1 4.29Å; T2776-Y2778 HydrophobicContact CG2-CE2 3.63Å; T2776-Y2778 VanDerWaalsContact CG2-CE2 3.47Å; T2776-Y2778 HydrophobicContact CG2-CG 3.94Å; T2776-Y2778 WeakPolarHBondContact O-CD2 3.46Å; T2776-Y2778 PolarHBondContact O-N 2.83Å
2777I28.7Very low32.9Very low112.6 Ų112.6100 Ų10058%0.57754%0.539SS*.  trans-75.753.9167.3-55.3170.4000112.1R2775 G2779 K2780R2775-I2777 VanDerWaalsContact C-N 3.34Å; R2775-I2777 HydrophobicContact CB-CG1 4.38Å; R2775-I2777 WeakPolarHBondContact O-CD1 3.47Å; R2775-I2777 VanDerWaalsContact O-CG1 3.26Å; R2775-I2777 WeakPolarHBondContact O-CG1 3.46Å; R2775-I2777 PolarHBondContact O-N 3.16Å; R2775-I2777 VanDerWaalsContact O-N 3.13Å; I2777-G2779 VanDerWaalsContact C-N 3.27Å; I2777-G2779 PolarHBondContact O-N 3.1Å; I2777-K2780 HydrophobicContact CG2-CB 3.55Å; I2777-K2780 HydrophobicContact CG2-CD 4.06Å; I2777-K2780 HydrophobicContact CG2-CG 3.6Å; I2777-K2780 PolarHBondContact O-N 3.39Å
2778Y28.5Very low33.5Very low158 Ų15894.6 Ų94.662%0.6252%0.516SS*.THydrogen-bonded Turntrans-72.940.8171-81.2-74.3000112.5E2701 L2705 L2749 T2776 N2784E2701-Y2778 PolarHBondContact OE2-OH 3.1Å; E2701-Y2778 VanDerWaalsContact OE2-OH 3.13Å; L2705-Y2778 HydrophobicContact CD1-CE2 4.25Å; L2749-Y2778 HydrophobicContact CD1-CE2 4.49Å; T2776-Y2778 HydrophobicContact CG2-CD1 4.32Å; T2776-Y2778 HydrophobicContact CG2-CD2 3.71Å; T2776-Y2778 VanDerWaalsContact CG2-CD2 3.49Å; T2776-Y2778 HydrophobicContact CG2-CE1 4.29Å; T2776-Y2778 HydrophobicContact CG2-CE2 3.63Å; T2776-Y2778 VanDerWaalsContact CG2-CE2 3.47Å; T2776-Y2778 HydrophobicContact CG2-CG 3.94Å; T2776-Y2778 WeakPolarHBondContact O-CD2 3.46Å; T2776-Y2778 PolarHBondContact O-N 2.83Å; Y2778-N2784 PolarHBondContact OH-ND2 3.09Å
2779G29.2Very low34.1Very low39.6 Ų39.694.9 Ų94.941%0.40851%0.507SS..THydrogen-bonded Turntrans-148.3-5.3-177.600000115.4I2777 R2935I2777-G2779 VanDerWaalsContact C-N 3.27Å; I2777-G2779 PolarHBondContact O-N 3.1Å; G2779-R2935 PolarHBondContact O-NH2 2.78Å
2780K36.7Very low34.3Very low142.6 Ų142.693.1 Ų93.162%0.6249%0.489SS*.THydrogen-bonded Turntrans-117.4-26.7-175.7-71.5-171.7176.9-178.30115.7I2777 L2782 R2935 D3431I2777-K2780 HydrophobicContact CG2-CB 3.55Å; I2777-K2780 HydrophobicContact CG2-CD 4.06Å; I2777-K2780 HydrophobicContact CG2-CG 3.6Å; I2777-K2780 PolarHBondContact O-N 3.39Å; K2780-L2782 PolarHBondContact O-N 3.23Å; K2780-R2935 PolarHBondContact O-NH1 3.04Å; K2780-R2935 PolarHBondContact O-NH2 2.9Å; K2780-D3431 WeakPolarHBondContact CE-OD2 3.46Å; K2780-D3431 IonicContact NZ-OD2 3.78Å; K2780-D3431 PolarHBondContact NZ-OD2 3.5Å
2781A38.6Very low34.6Very low53.6 Ų53.689.8 Ų89.844%0.44347%0.474SS..  trans-73.1140.7174.300000111.1L2783 E2855 R2935A2781-L2783 VanDerWaalsContact C-N 3.28Å; A2781-L2783 WeakPolarHBondContact CB-O 3.39Å; A2781-E2855 VanDerWaalsContact CA-OE1 3.24Å; A2781-E2855 WeakPolarHBondContact CA-OE1 3.47Å; A2781-R2935 VanDerWaalsContact C-NH1 3.29Å; A2781-R2935 PolarHBondContact O-NH1 3.17Å; A2781-R2935 VanDerWaalsContact O-NH1 3.14Å
2782L43.7Very low34.9Very low18.2 Ų18.289.8 Ų89.810%0.09546%0.46CS..SBendtrans-79.3-28.8174.9-68.2161.1000111.9K2780 E2855 L2858 L2932 R2935 F2936K2780-L2782 PolarHBondContact O-N 3.23Å; L2782-E2855 WeakPolarHBondContact CA-OE2 3.2Å; L2782-E2855 WeakPolarHBondContact CB-OE1 3.28Å; L2782-E2855 VanDerWaalsContact CB-OE2 3.27Å; L2782-E2855 WeakPolarHBondContact CB-OE2 3.27Å; L2782-E2855 VanDerWaalsContact CD1-CD 3.45Å; L2782-E2855 HydrophobicContact CD1-CG 4.36Å; L2782-E2855 VanDerWaalsContact CD1-OE1 3.25Å; L2782-E2855 WeakPolarHBondContact CD1-OE1 3.37Å; L2782-E2855 WeakPolarHBondContact CD1-OE2 3.43Å; L2782-E2855 VanDerWaalsContact CG-OE1 3.31Å; L2782-E2855 WeakPolarHBondContact CG-OE1 3.38Å; L2782-E2855 WeakPolarHBondContact CG-OE2 3.25Å; L2782-E2855 PolarHBondContact N-OE1 3.26Å; L2782-E2855 PolarHBondContact N-OE2 2.92Å; L2782-L2858 HydrophobicContact CB-CD1 4.28Å; L2782-L2858 HydrophobicContact CD1-CB 4.01Å; L2782-L2858 HydrophobicContact CD1-CD1 3.89Å; L2782-L2932 HydrophobicContact CB-CD1 4.47Å; L2782-R2935 HydrophobicContact CD2-CB 3.93Å; L2782-R2935 HydrophobicContact CD2-CG 4.28Å; L2782-R2935 VanDerWaalsContact CD2-CZ 3.48Å; L2782-F2936 HydrophobicContact CB-CE2 4.19Å; L2782-F2936 HydrophobicContact CD1-CD2 4.07Å; L2782-F2936 HydrophobicContact CD1-CE2 3.31Å; L2782-F2936 VanDerWaalsContact CD1-CE2 3.43Å; L2782-F2936 HydrophobicContact CD1-CZ 3.63Å; L2782-F2936 HydrophobicContact CD2-CD2 3.96Å; L2782-F2936 HydrophobicContact CD2-CE2 3.58Å; L2782-F2936 VanDerWaalsContact CD2-CE2 3.43Å; L2782-F2936 HydrophobicContact CD2-CZ 4.28Å; L2782-F2936 HydrophobicContact CG-CD2 4.44Å; L2782-F2936 HydrophobicContact CG-CE2 4.02Å; L2782-F2936 HydrophobicContact CG-CZ 4.37Å
2783L45.2Very low35.3Very low22.2 Ų22.287.8 Ų87.812%0.11645%0.446CS..SBendtrans-131.2132.5178-61.9174.8000108.8A2781 D2787 L2788 P2854 E2855 L2858 W2928 L2932A2781-L2783 VanDerWaalsContact C-N 3.28Å; A2781-L2783 WeakPolarHBondContact CB-O 3.39Å; L2783-D2787 HydrophobicContact CB-CB 4.02Å; L2783-D2787 HydrophobicContact CD2-CB 4.02Å; L2783-D2787 HydrophobicContact CG-CB 4.4Å; L2783-L2788 HydrophobicContact CB-CD1 4.2Å; L2783-L2788 HydrophobicContact CB-CD2 3.91Å; L2783-L2788 HydrophobicContact CB-CG 4Å; L2783-L2788 HydrophobicContact CD1-CD1 4.37Å; L2783-L2788 HydrophobicContact CD1-CD2 3.87Å; L2783-L2788 VanDerWaalsContact CD1-CD2 3.42Å; L2783-L2788 HydrophobicContact CD1-CG 3.8Å; L2783-L2788 HydrophobicContact CG-CD2 4.31Å; L2783-P2854 HydrophobicContact CD1-CB 4.12Å; L2783-P2854 HydrophobicContact CD1-CG 3.84Å; L2783-E2855 PolarHBondContact N-OE2 2.93Å; L2783-E2855 VanDerWaalsContact N-OE2 3.1Å; L2783-L2858 HydrophobicContact CD1-CD1 3.75Å; L2783-L2858 HydrophobicContact CG-CD1 4.15Å; L2783-W2928 HydrophobicContact CD2-CB 3.85Å; L2783-L2932 HydrophobicContact CD2-CD2 4.43Å
2784N44Very low35.7Very low58.6 Ų58.689.1 Ų89.131%0.31345%0.448SS..  trans-73.4160.1168.2-87.6-31.1000110Y2778 H2786 D2787 L2788Y2778-N2784 PolarHBondContact OH-ND2 3.09Å; N2784-H2786 PolarHBondContact O-N 3.09Å; N2784-D2787 VanDerWaalsContact CB-OD2 3.26Å; N2784-D2787 WeakPolarHBondContact CB-OD2 3.38Å; N2784-D2787 PolarHBondContact N-OD2 3.24Å; N2784-D2787 PolarHBondContact ND2-OD2 3.03Å; N2784-D2787 WeakPolarHBondContact O-CA 3.45Å; N2784-D2787 WeakPolarHBondContact O-CB 3.29Å; N2784-D2787 PolarHBondContact O-N 2.89Å; N2784-L2788 WeakPolarHBondContact O-CG 3.26Å; N2784-L2788 PolarHBondContact O-N 3.34Å; N2784-L2788 VanDerWaalsContact O-N 3.13Å
2785K42Very low36.2Very low152.2 Ų152.289.9 Ų89.966%0.66245%0.454SS*.THydrogen-bonded Turntrans-52.6-21.6173.1-170178.4178.5-175.70113.4L2788 R2789 L2794 S2811K2785-L2788 WeakPolarHBondContact O-CB 3.29Å; K2785-R2789 PolarHBondContact O-N 2.85Å; K2785-L2794 VanDerWaalsContact CE-CD2 3.46Å; K2785-L2794 HydrophobicContact CG-CD1 4.43Å; K2785-S2811 PolarHBondContact NZ-OG 3.06Å
2786H42.6Very low37Very low73.6 Ų73.687.6 Ų87.634%0.34145%0.445SS..THydrogen-bonded Turntrans-86.4-32.5177.6-57.673.4000113.3E2704 N2784 L2788 R2789E2704-H2786 IonicContact OE2-CD2 3.33Å; E2704-H2786 PolarHBondContact OE2-CD2 2.82Å; E2704-H2786 IonicContact OE2-CE1 3.16Å; E2704-H2786 IonicContact OE2-NE2 2.7Å; E2704-H2786 PolarHBondContact OE2-NE2 3Å; N2784-H2786 PolarHBondContact O-N 3.09Å; H2786-L2788 PolarHBondContact O-N 2.98Å; H2786-L2788 VanDerWaalsContact O-N 3.08Å; H2786-R2789 WeakPolarHBondContact O-CB 3.35Å; H2786-R2789 WeakPolarHBondContact O-CG 3.44Å; H2786-R2789 PolarHBondContact O-N 3.19Å; H2786-R2789 VanDerWaalsContact O-N 3.1Å
2787D45.6Very low37.7Very low20.6 Ų20.687.6 Ų87.611%0.1145%0.447CS..G310 helixtrans-64.9-24.9174.6-65.3-58.2000111.9L2783 N2784 R2789 F2790 W2928L2783-D2787 HydrophobicContact CB-CB 4.02Å; L2783-D2787 HydrophobicContact CD2-CB 4.02Å; L2783-D2787 HydrophobicContact CG-CB 4.4Å; N2784-D2787 VanDerWaalsContact CB-OD2 3.26Å; N2784-D2787 WeakPolarHBondContact CB-OD2 3.38Å; N2784-D2787 PolarHBondContact N-OD2 3.24Å; N2784-D2787 PolarHBondContact ND2-OD2 3.03Å; N2784-D2787 WeakPolarHBondContact O-CA 3.45Å; N2784-D2787 WeakPolarHBondContact O-CB 3.29Å; N2784-D2787 PolarHBondContact O-N 2.89Å; D2787-R2789 VanDerWaalsContact C-N 3.32Å; D2787-R2789 PolarHBondContact O-N 3.06Å; D2787-F2790 HydrophobicContact CB-CE2 4.28Å; D2787-F2790 WeakPolarHBondContact O-CD2 3.39Å; D2787-F2790 VanDerWaalsContact O-CG 3.26Å; D2787-F2790 WeakPolarHBondContact O-CG 3.42Å; D2787-F2790 PolarHBondContact O-N 2.98Å; D2787-F2790 VanDerWaalsContact O-N 3.08Å; D2787-W2928 HydrophobicContact CB-CB 4.18Å; D2787-W2928 HydrophobicContact CB-CG 4.46Å; D2787-W2928 VanDerWaalsContact OD1-CD1 3.25Å; D2787-W2928 PolarHBondContact OD1-N 3.08Å
2788L41Very low38.2Very low55 Ų5584.8 Ų84.829%0.28843%0.432SS..G310 helixtrans-77.4-7.1177.8-62.9178.1000114.1L2783 N2784 K2785 H2786 F2790 T2791 P2854L2783-L2788 HydrophobicContact CB-CD1 4.2Å; L2783-L2788 HydrophobicContact CB-CD2 3.91Å; L2783-L2788 HydrophobicContact CB-CG 4Å; L2783-L2788 HydrophobicContact CD1-CD1 4.37Å; L2783-L2788 HydrophobicContact CD1-CD2 3.87Å; L2783-L2788 VanDerWaalsContact CD1-CD2 3.42Å; L2783-L2788 HydrophobicContact CD1-CG 3.8Å; L2783-L2788 HydrophobicContact CG-CD2 4.31Å; N2784-L2788 WeakPolarHBondContact O-CG 3.26Å; N2784-L2788 PolarHBondContact O-N 3.34Å; N2784-L2788 VanDerWaalsContact O-N 3.13Å; K2785-L2788 WeakPolarHBondContact O-CB 3.29Å; H2786-L2788 PolarHBondContact O-N 2.98Å; H2786-L2788 VanDerWaalsContact O-N 3.08Å; L2788-F2790 WeakPolarHBondContact O-CD2 3.02Å; L2788-F2790 VanDerWaalsContact O-CE2 3.28Å; L2788-F2790 WeakPolarHBondContact O-CE2 3.32Å; L2788-F2790 PolarHBondContact O-N 3.07Å; L2788-F2790 VanDerWaalsContact O-N 3.16Å; L2788-T2791 PolarHBondContact O-N 3.26Å; L2788-T2791 VanDerWaalsContact O-N 3.15Å; L2788-T2791 PolarHBondContact O-OG1 2.96Å; L2788-P2854 HydrophobicContact CD1-CG 3.95Å; L2788-P2854 HydrophobicContact CD2-CB 4.26Å; L2788-P2854 HydrophobicContact CD2-CG 3.41Å; L2788-P2854 VanDerWaalsContact CD2-CG 3.43Å; L2788-P2854 HydrophobicContact CG-CG 4.18Å
2789R39.4Very low38.8Very low141.6 Ų141.681.7 Ų81.753%0.53443%0.425SS..G310 helixtrans-69.123.7172.7-79.4-176.9169-173.61.5112.6E2704 K2785 H2786 D2787 T2791E2704-R2789 IonicContact OE1-CZ 3.49Å; E2704-R2789 IonicContact OE1-NH1 2.97Å; E2704-R2789 PolarHBondContact OE1-NH1 3.16Å; E2704-R2789 IonicContact OE1-NH2 2.99Å; E2704-R2789 PolarHBondContact OE1-NH2 2.88Å; E2704-R2789 IonicContact OE2-CZ 3.35Å; E2704-R2789 IonicContact OE2-NH1 2.8Å; E2704-R2789 PolarHBondContact OE2-NH1 3.04Å; E2704-R2789 IonicContact OE2-NH2 3.75Å; K2785-R2789 PolarHBondContact O-N 2.85Å; H2786-R2789 WeakPolarHBondContact O-CB 3.35Å; H2786-R2789 WeakPolarHBondContact O-CG 3.44Å; H2786-R2789 PolarHBondContact O-N 3.19Å; H2786-R2789 VanDerWaalsContact O-N 3.1Å; D2787-R2789 VanDerWaalsContact C-N 3.32Å; D2787-R2789 PolarHBondContact O-N 3.06Å; R2789-T2791 VanDerWaalsContact C-N 3.33Å; R2789-T2791 PolarHBondContact O-N 2.9Å
2790F34.4Very low39.2Very low89.8 Ų89.887 Ų8739%0.39443%0.434SS..G310 helixtrans-78.242.4173.2-60.6-61.5000112.8A2408 F2411 A2412 D2787 L2788 K2909 W2928A2408-F2790 HydrophobicContact CB-CD1 3.36Å; A2408-F2790 HydrophobicContact CB-CE1 3.31Å; A2408-F2790 HydrophobicContact CB-CG 4.41Å; A2408-F2790 HydrophobicContact CB-CZ 4.33Å; F2411-F2790 HydrophobicContact CB-CB 3.91Å; F2411-F2790 HydrophobicContact CB-CD2 4.32Å; F2411-F2790 HydrophobicContact CB-CG 4.22Å; F2411-F2790 HydrophobicContact CD1-CB 3.31Å; F2411-F2790 HydrophobicContact CD1-CD2 4.21Å; F2411-F2790 HydrophobicContact CD1-CG 4.19Å; F2411-F2790 HydrophobicContact CD2-CD2 4.49Å; F2411-F2790 HydrophobicContact CE1-CB 4.18Å; F2411-F2790 AromaticContact CE1-CD1 3.96Å; F2411-F2790 HydrophobicContact CE1-CD1 3.96Å; F2411-F2790 HydrophobicContact CG-CB 3.82Å; F2411-F2790 HydrophobicContact CG-CD2 4.1Å; F2411-F2790 HydrophobicContact CG-CG 4.28Å; F2411-F2790 HydrophobicContact CZ-CB 4.03Å; F2411-F2790 AromaticContact CZ-CD1 3.91Å; F2411-F2790 HydrophobicContact CZ-CD1 3.91Å; F2411-F2790 HydrophobicContact CZ-CG 4.38Å; F2411-F2790 VanDerWaalsContact CZ-O 3.28Å; F2411-F2790 WeakPolarHBondContact CZ-O 3.31Å; A2412-F2790 WeakPolarHBondContact CA-O 3.47Å; A2412-F2790 WeakPolarHBondContact CB-O 3.45Å; A2412-F2790 PolarHBondContact N-O 2.85Å; D2787-F2790 HydrophobicContact CB-CE2 4.28Å; D2787-F2790 WeakPolarHBondContact O-CD2 3.39Å; D2787-F2790 VanDerWaalsContact O-CG 3.26Å; D2787-F2790 WeakPolarHBondContact O-CG 3.42Å; D2787-F2790 PolarHBondContact O-N 2.98Å; D2787-F2790 VanDerWaalsContact O-N 3.08Å; L2788-F2790 WeakPolarHBondContact O-CD2 3.02Å; L2788-F2790 VanDerWaalsContact O-CE2 3.28Å; L2788-F2790 WeakPolarHBondContact O-CE2 3.32Å; L2788-F2790 PolarHBondContact O-N 3.07Å; L2788-F2790 VanDerWaalsContact O-N 3.16Å; F2790-K2909 HydrophobicContact CD1-CD 3.81Å; F2790-K2909 HydrophobicContact CE1-CD 3.54Å; F2790-K2909 VanDerWaalsContact CE1-NZ 3.29Å; F2790-K2909 HydrophobicContact CZ-CD 4.17Å; F2790-K2909 PolarHBondContact O-NZ 2.72Å; F2790-W2928 AromaticContact CE2-CD1 3.83Å; F2790-W2928 HydrophobicContact CE2-CD2 4.3Å; F2790-W2928 HydrophobicContact CE2-CG 4Å; F2790-W2928 AromaticContact CZ-CD1 3.77Å; F2790-W2928 HydrophobicContact CZ-CD2 4.39Å; F2790-W2928 AromaticContact CZ-CE2 4Å; F2790-W2928 HydrophobicContact CZ-CG 4.29Å; F2790-W2928 AromaticContact CZ-NE1 3.59Å
2791T33Very low39.6Very low79 Ų7982.9 Ų82.949%0.48542%0.421SS..  trans-86.2125.6172.341.80000113.6V2415 L2788 R2789 S2793 Q2913V2415-T2791 HydrophobicContact CG1-CG2 4.41Å; L2788-T2791 PolarHBondContact O-N 3.26Å; L2788-T2791 VanDerWaalsContact O-N 3.15Å; L2788-T2791 PolarHBondContact O-OG1 2.96Å; R2789-T2791 VanDerWaalsContact C-N 3.33Å; R2789-T2791 PolarHBondContact O-N 2.9Å; T2791-S2793 PolarHBondContact O-N 2.91Å; T2791-Q2913 VanDerWaalsContact CG2-OE1 3.27Å; T2791-Q2913 PolarHBondContact OG1-NE2 2.91Å; T2791-Q2913 VanDerWaalsContact OG1-NE2 3.08Å
2792P31Very low39.3Very low77.8 Ų77.886.5 Ų86.551%0.50544%0.443SS..  trans-76.4138.6168.730.2-31.3000111A2412 V2415 I2798A2412-P2792 HydrophobicContact CB-CG 4.29Å; V2415-P2792 HydrophobicContact CG1-CG 4.07Å; P2792-I2798 HydrophobicContact CB-CG1 4.45Å; P2792-I2798 HydrophobicContact CG-CD1 4.49Å; P2792-I2798 HydrophobicContact CG-CG1 4.44Å
2793S33.5Very low38.9Very low52.4 Ų52.490.4 Ų90.437%0.36647%0.472SS..  trans-52.1141.4171.858.10000112.5T2791 D2795 R2796T2791-S2793 PolarHBondContact O-N 2.91Å; S2793-D2795 PolarHBondContact O-N 3.07Å; S2793-D2795 VanDerWaalsContact O-N 3.13Å; S2793-R2796 CarbonylContact O-C 3.37Å; S2793-R2796 PolarHBondContact O-N 3.1Å; S2793-R2796 VanDerWaalsContact O-N 3.13Å; S2793-R2796 WeakPolarHBondContact OG-CB 3.28Å
2794L35.7Very low38.6Very low138 Ų13890.9 Ų90.972%0.72348%0.482SS*.THydrogen-bonded Turntrans-57.6-26.2177.8-102.983.3000113.1K2785 R2796 P2851K2785-L2794 VanDerWaalsContact CE-CD2 3.46Å; K2785-L2794 HydrophobicContact CG-CD1 4.43Å; L2794-R2796 VanDerWaalsContact C-N 3.3Å; L2794-R2796 PolarHBondContact O-N 2.96Å; L2794-P2851 HydrophobicContact CD1-CB 4.43Å
2795D36.4Very low38.3Very low139.6 Ų139.691.8 Ų91.875%0.74749%0.486SS*.THydrogen-bonded Turntrans-80.9-6.8-176.7-45.4-60.4000113.9S2793S2793-D2795 PolarHBondContact O-N 3.07Å; S2793-D2795 VanDerWaalsContact O-N 3.13Å
2796R41.9Very low38Very low134.6 Ų134.690.7 Ų90.751%0.50848%0.481SS..SBendtrans-137.872.2-178.6-62.5-170.6-178.6-167.42.1112S2793 L2794 P2808 I2809 I2810S2793-R2796 CarbonylContact O-C 3.37Å; S2793-R2796 PolarHBondContact O-N 3.1Å; S2793-R2796 VanDerWaalsContact O-N 3.13Å; S2793-R2796 WeakPolarHBondContact OG-CB 3.28Å; L2794-R2796 VanDerWaalsContact C-N 3.3Å; L2794-R2796 PolarHBondContact O-N 2.96Å; R2796-P2808 HydrophobicContact CB-CB 4.21Å; R2796-P2808 HydrophobicContact CB-CG 3.81Å; R2796-P2808 HydrophobicContact CG-CG 4.5Å; R2796-P2808 WeakPolarHBondContact O-CG 3.42Å; R2796-I2809 PolarHBondContact NH1-O 3.43Å; R2796-I2810 VanDerWaalsContact CZ-CG1 3.49Å
2797P39.5Very low37.9Very low81 Ų8191.2 Ų91.253%0.52649%0.486SS..  trans-64.1152.3176.328.1-35.5000112.2I2799 L3053P2797-I2799 WeakPolarHBondContact O-CG1 3.47Å; P2797-I2799 PolarHBondContact O-N 3.2Å; P2797-L3053 HydrophobicContact CB-CD1 4.32Å; P2797-L3053 HydrophobicContact CG-CD1 4.33Å
2798I39.4Very low37.4Very low51.8 Ų51.892.8 Ų92.827%0.26650%0.498SS..  trans-65.6122.2173.8-63.8173.2000109A2412 P2792 Y2800 I2805 I2807A2412-I2798 HydrophobicContact CB-CD1 3.92Å; A2412-I2798 VanDerWaalsContact CB-CD1 3.41Å; P2792-I2798 HydrophobicContact CB-CG1 4.45Å; P2792-I2798 HydrophobicContact CG-CD1 4.49Å; P2792-I2798 HydrophobicContact CG-CG1 4.44Å; I2798-Y2800 HydrophobicContact CB-CE2 4.32Å; I2798-Y2800 HydrophobicContact CG2-CD2 4.33Å; I2798-Y2800 HydrophobicContact CG2-CE1 4.37Å; I2798-Y2800 HydrophobicContact CG2-CE2 4.05Å; I2798-Y2800 WeakPolarHBondContact O-CD2 3.25Å; I2798-Y2800 PolarHBondContact O-N 3.1Å; I2798-I2805 HydrophobicContact CG2-CG2 3.35Å; I2798-I2807 HydrophobicContact CG2-CG1 4.38Å
2799I41.8Very low37.1Very low93.6 Ų93.695 Ų9548%0.4851%0.508SS..EExtended strand (participates in β ladder)trans-94.8111.7-177.2-53.3179.7000109.4P2797 T2801 K2806P2797-I2799 WeakPolarHBondContact O-CG1 3.47Å; P2797-I2799 PolarHBondContact O-N 3.2Å; I2799-T2801 HydrophobicContact CG2-CG2 4.07Å; I2799-T2801 PolarHBondContact O-N 3.15Å; I2799-K2806 HydrophobicContact CB-CB 4.37Å; I2799-K2806 PolarHBondContact N-O 2.98Å; I2799-K2806 VanDerWaalsContact N-O 3.1Å; I2799-K2806 WeakPolarHBondContact O-CA 3.05Å; I2799-K2806 WeakPolarHBondContact O-CB 3.39Å; I2799-K2806 PolarHBondContact O-N 2.89Å
2800Y37.9Very low36.8Very low151.4 Ų151.494.1 Ų94.159%0.59451%0.513SS*.EExtended strand (participates in β ladder)trans-82120.6171.7-59.3-87.6000109.6E2416 I2798 I2805E2416-Y2800 PolarHBondContact OE2-OH 3.13Å; I2798-Y2800 HydrophobicContact CB-CE2 4.32Å; I2798-Y2800 HydrophobicContact CG2-CD2 4.33Å; I2798-Y2800 HydrophobicContact CG2-CE1 4.37Å; I2798-Y2800 HydrophobicContact CG2-CE2 4.05Å; I2798-Y2800 WeakPolarHBondContact O-CD2 3.25Å; I2798-Y2800 PolarHBondContact O-N 3.1Å; Y2800-I2805 HydrophobicContact CD1-CD1 4.44Å; Y2800-I2805 HydrophobicContact CD1-CG1 4.1Å; Y2800-I2805 HydrophobicContact CD1-CG2 4.46Å; Y2800-I2805 HydrophobicContact CE1-CD1 4.03Å; Y2800-I2805 HydrophobicContact CE1-CG1 4.05Å; Y2800-I2805 HydrophobicContact CE1-CG2 4.35Å
2801T43.9Very low36.6Very low57 Ų5793.2 Ų93.235%0.3552%0.518SS..EExtended strand (participates in β ladder)trans-113.3161.1173.163.80000110I2799 S2803 G2804 K2806I2799-T2801 HydrophobicContact CG2-CG2 4.07Å; I2799-T2801 PolarHBondContact O-N 3.15Å; T2801-S2803 PolarHBondContact O-N 3.13Å; T2801-S2803 VanDerWaalsContact O-N 3.15Å; T2801-S2803 PolarHBondContact OG1-N 3.44Å; T2801-S2803 PolarHBondContact OG1-OG 3.3Å; T2801-G2804 PolarHBondContact N-O 3.22Å; T2801-G2804 VanDerWaalsContact N-O 3.09Å; T2801-G2804 PolarHBondContact O-N 3.14Å; T2801-G2804 VanDerWaalsContact O-O 3.11Å; T2801-G2804 PolarHBondContact OG1-N 2.92Å; T2801-G2804 PolarHBondContact OG1-O 3.12Å; T2801-G2804 VanDerWaalsContact OG1-O 3.09Å; T2801-K2806 HydrophobicContact CG2-CB 4.33Å; T2801-K2806 HydrophobicContact CG2-CD 4.35Å
2802S33.9Very low36.4Very low128 Ų12896 Ų9690%0.89553%0.53SS*.THydrogen-bonded Turntrans-62.9-11.6175.8560000113.8G2804 D3050S2802-G2804 PolarHBondContact O-N 2.95Å; S2802-D3050 WeakPolarHBondContact CB-OD2 3.39Å; S2802-D3050 PolarHBondContact OG-OD2 3.46Å
2803S34Very low36.3Very low100.2 Ų100.298.6 Ų98.670%0.70154%0.54SS*.THydrogen-bonded Turntrans-1062.3176.8540000114L2729 T2801L2729-S2803 VanDerWaalsContact CD1-O 3.31Å; L2729-S2803 WeakPolarHBondContact CD1-O 3.24Å; T2801-S2803 PolarHBondContact O-N 3.13Å; T2801-S2803 VanDerWaalsContact O-N 3.15Å; T2801-S2803 PolarHBondContact OG1-N 3.44Å; T2801-S2803 PolarHBondContact OG1-OG 3.3Å
2804G38.7Very low36Very low32.8 Ų32.8102.8 Ų102.834%0.33856%0.558SS.*EExtended strand (participates in β ladder)trans139-172.7176.400000115.4T2801 S2802 K2806T2801-G2804 PolarHBondContact N-O 3.22Å; T2801-G2804 VanDerWaalsContact N-O 3.09Å; T2801-G2804 PolarHBondContact O-N 3.14Å; T2801-G2804 VanDerWaalsContact O-O 3.11Å; T2801-G2804 PolarHBondContact OG1-N 2.92Å; T2801-G2804 PolarHBondContact OG1-O 3.12Å; T2801-G2804 VanDerWaalsContact OG1-O 3.09Å; S2802-G2804 PolarHBondContact O-N 2.95Å; G2804-K2806 PolarHBondContact O-N 3.45Å
2805I37.8Very low35.9Very low78.4 Ų78.4103.4 Ų103.440%0.40256%0.56SS.*EExtended strand (participates in β ladder)trans-90.6113.9178.2-56.5178.9000108.5I2409 I2798 Y2800 I2807I2409-I2805 HydrophobicContact CD1-CD1 3.86Å; I2409-I2805 HydrophobicContact CG1-CD1 3.98Å; I2409-I2805 HydrophobicContact CG2-CD1 4.25Å; I2798-I2805 HydrophobicContact CG2-CG2 3.35Å; Y2800-I2805 HydrophobicContact CD1-CD1 4.44Å; Y2800-I2805 HydrophobicContact CD1-CG1 4.1Å; Y2800-I2805 HydrophobicContact CD1-CG2 4.46Å; Y2800-I2805 HydrophobicContact CE1-CD1 4.03Å; Y2800-I2805 HydrophobicContact CE1-CG1 4.05Å; Y2800-I2805 HydrophobicContact CE1-CG2 4.35Å; I2805-I2807 VanDerWaalsContact C-N 3.33Å; I2805-I2807 HydrophobicContact CG2-CD1 4.38Å; I2805-I2807 HydrophobicContact CG2-CG1 3.97Å; I2805-I2807 PolarHBondContact O-N 3.03Å
2806K37.3Very low35.6Very low128.6 Ų128.6103.2 Ų103.256%0.55956%0.559SS**EExtended strand (participates in β ladder)trans-95.1103.8176.9-147.2177.6-174.71790109.8N2727 I2799 T2801 G2804 P2808N2727-K2806 PolarHBondContact OD1-NZ 3.44Å; I2799-K2806 HydrophobicContact CB-CB 4.37Å; I2799-K2806 PolarHBondContact N-O 2.98Å; I2799-K2806 VanDerWaalsContact N-O 3.1Å; I2799-K2806 WeakPolarHBondContact O-CA 3.05Å; I2799-K2806 WeakPolarHBondContact O-CB 3.39Å; I2799-K2806 PolarHBondContact O-N 2.89Å; T2801-K2806 HydrophobicContact CG2-CB 4.33Å; T2801-K2806 HydrophobicContact CG2-CD 4.35Å; G2804-K2806 PolarHBondContact O-N 3.45Å; K2806-P2808 VanDerWaalsContact O-CD 3.29Å; K2806-P2808 WeakPolarHBondContact O-CD 3.21Å
2807I38.9Very low35Very low83.8 Ų83.8103.6 Ų103.643%0.4357%0.571SS.*  trans-90.5117.3174-56.1179.1000108.1I2404 I2409 I2696 I2730 I2798 I2805 I2809I2404-I2807 HydrophobicContact CD1-CB 4.26Å; I2404-I2807 HydrophobicContact CG2-CD1 4.46Å; I2409-I2807 HydrophobicContact CB-CD1 4.16Å; I2409-I2807 HydrophobicContact CD1-CD1 3.66Å; I2409-I2807 HydrophobicContact CG1-CD1 3.52Å; I2409-I2807 HydrophobicContact CG2-CD1 3.79Å; I2696-I2807 HydrophobicContact CG2-CD1 4.46Å; I2730-I2807 HydrophobicContact CD1-CD1 3.6Å; I2730-I2807 HydrophobicContact CD1-CG1 4.05Å; I2798-I2807 HydrophobicContact CG2-CG1 4.38Å; I2805-I2807 VanDerWaalsContact C-N 3.33Å; I2805-I2807 HydrophobicContact CG2-CD1 4.38Å; I2805-I2807 HydrophobicContact CG2-CG1 3.97Å; I2805-I2807 PolarHBondContact O-N 3.03Å; I2807-I2809 VanDerWaalsContact C-N 3.29Å; I2807-I2809 HydrophobicContact CG2-CD1 4.4Å; I2807-I2809 HydrophobicContact CG2-CG1 4.11Å; I2807-I2809 PolarHBondContact O-N 3.31Å
2808P35.7Very low34.7Very low55.2 Ų55.2104.7 Ų104.736%0.35858%0.581SS.*  trans-78.3101.9178.229.8-31.4000110.7R2796 K2806R2796-P2808 HydrophobicContact CB-CB 4.21Å; R2796-P2808 HydrophobicContact CB-CG 3.81Å; R2796-P2808 HydrophobicContact CG-CG 4.5Å; R2796-P2808 WeakPolarHBondContact O-CG 3.42Å; K2806-P2808 VanDerWaalsContact O-CD 3.29Å; K2806-P2808 WeakPolarHBondContact O-CD 3.21Å
2809I34.1Very low34.3Very low99.6 Ų99.6108.7 Ų108.751%0.51160%0.603SS.*  trans-72.6143.3175.3-61.1175.2000109.6F2703 R2796 I2807 S2811F2703-I2809 HydrophobicContact CD1-CD1 3.79Å; F2703-I2809 HydrophobicContact CE1-CD1 4.16Å; R2796-I2809 PolarHBondContact NH1-O 3.43Å; I2807-I2809 VanDerWaalsContact C-N 3.29Å; I2807-I2809 HydrophobicContact CG2-CD1 4.4Å; I2807-I2809 HydrophobicContact CG2-CG1 4.11Å; I2807-I2809 PolarHBondContact O-N 3.31Å; I2809-S2811 VanDerWaalsContact C-N 3.3Å; I2809-S2811 PolarHBondContact O-N 2.81Å
2810I32.9Very low33.9Very low122.8 Ų122.8110.9 Ų110.963%0.6362%0.616SS**  trans-76.996172.7-55.4173.4000108.7R2796 D2812R2796-I2810 VanDerWaalsContact CZ-CG1 3.49Å; I2810-D2812 VanDerWaalsContact CG2-OD1 3.31Å; I2810-D2812 WeakPolarHBondContact CG2-OD1 3.45Å; I2810-D2812 PolarHBondContact O-N 3.34Å
2811S30.7Very low33.7Very low72.2 Ų72.2110.1 Ų110.151%0.50562%0.622SS.*  trans-137.6121.2164.153.10000109E2707 K2785 I2809 N2813E2707-S2811 WeakPolarHBondContact OE1-CB 3.38Å; K2785-S2811 PolarHBondContact NZ-OG 3.06Å; I2809-S2811 VanDerWaalsContact C-N 3.3Å; I2809-S2811 PolarHBondContact O-N 2.81Å; S2811-N2813 VanDerWaalsContact C-N 3.25Å; S2811-N2813 PolarHBondContact O-N 3.06Å
2812D29.1Very low33.1Very low137 Ų137114.4 Ų114.473%0.73364%0.643SS**  trans-86.890.7-179.8-67.6-40.6000112.8I2810 N2814I2810-D2812 VanDerWaalsContact CG2-OD1 3.31Å; I2810-D2812 WeakPolarHBondContact CG2-OD1 3.45Å; I2810-D2812 PolarHBondContact O-N 3.34Å; D2812-N2814 PolarHBondContact O-N 3.38Å
2813N28.3Very low33.1Very low133.6 Ų133.6114.2 Ų114.271%0.71464%0.636SS**  trans-107.376.2170.9-78.5-18.6000109.8R2713 S2811 I2815R2713-N2813 PolarHBondContact NH2-OD1 3.37Å; S2811-N2813 VanDerWaalsContact C-N 3.25Å; S2811-N2813 PolarHBondContact O-N 3.06Å; N2813-I2815 PolarHBondContact O-N 3.44Å; N2813-I2815 VanDerWaalsContact O-N 3.14Å
2814N28.9Very low32.9Very low139.8 Ų139.8117.1 Ų117.175%0.74864%0.643SS**  trans-107.194157.3-89.915.6000109.4D2812 D2816D2812-N2814 PolarHBondContact O-N 3.38Å; N2814-D2816 VanDerWaalsContact C-N 3.33Å; N2814-D2816 PolarHBondContact ND2-OD2 3.22Å; N2814-D2816 PolarHBondContact O-N 3.22Å
2815I31.7Very low32.5Very low150.6 Ų150.6119 Ų11977%0.77266%0.663SS**  trans-109.691.5157.6-60.4177.3000106N2813 D2817N2813-I2815 PolarHBondContact O-N 3.44Å; N2813-I2815 VanDerWaalsContact O-N 3.14Å; I2815-D2817 VanDerWaalsContact C-N 3.34Å; I2815-D2817 HydrophobicContact CG2-CB 4.16Å; I2815-D2817 VanDerWaalsContact CG2-OD2 3.24Å; I2815-D2817 WeakPolarHBondContact CG2-OD2 3.37Å; I2815-D2817 PolarHBondContact O-N 3.38Å
2816D30.7Very low32Very low134.8 Ų134.8121.8 Ų121.872%0.72168%0.683SS**  trans-72.686.4162.8-70.5-42.3000111.7N2814 S2818N2814-D2816 VanDerWaalsContact C-N 3.33Å; N2814-D2816 PolarHBondContact ND2-OD2 3.22Å; N2814-D2816 PolarHBondContact O-N 3.22Å; D2816-S2818 PolarHBondContact O-N 3.2Å
2817D30.6Very low31.5Very low142.6 Ų142.6120.5 Ų120.576%0.76369%0.69SS**  trans-40.189.3161.1-92.6-30000114I2815 N2819I2815-D2817 VanDerWaalsContact C-N 3.34Å; I2815-D2817 HydrophobicContact CG2-CB 4.16Å; I2815-D2817 VanDerWaalsContact CG2-OD2 3.24Å; I2815-D2817 WeakPolarHBondContact CG2-OD2 3.37Å; I2815-D2817 PolarHBondContact O-N 3.38Å; D2817-N2819 PolarHBondContact O-N 3.12Å; D2817-N2819 PolarHBondContact OD1-ND2 2.92Å
2818S31.7Very low30.9Very low105 Ų105122.1 Ų122.173%0.73470%0.704SS**  trans-132.685.3154.261.40000113.9D2816D2816-S2818 PolarHBondContact O-N 3.2Å
2819N32.2Very low30.4Very low136.4 Ų136.4125.7 Ų125.773%0.72972%0.72SS**  trans-143.2108.2148.5-80.2-46.8000113.1D2817D2817-N2819 PolarHBondContact O-N 3.12Å; D2817-N2819 PolarHBondContact OD1-ND2 2.92Å
2820N33.4Very low30.1Very low139.2 Ų139.2127.8 Ų127.874%0.74473%0.733SS**  154.4125.4127.7-78.9-45.3000115.2
2821N32.7Very low29.7Very low134.8 Ų134.8129 Ų12972%0.72174%0.739SS**  trans42.6118.1143.6-50.7-25.1000118
2822D32.2Very low29.4Very low147.8 Ų147.8130.9 Ų130.979%0.7975%0.748SS**  85135.3117.8-67.8-26.3000118.8
2823V34Very low29.3Very low123.6 Ų123.6131.5 Ų131.575%0.74975%0.751SS**  108.9120.8128.6175.40000116.8
2824D29.2Very low29.3Very low160.4 Ų160.4134.9 Ų134.986%0.85876%0.76SS**  trans21134.9151.5-57.7-35.9000120.8
2825G29.5Very low29.1Very low73 Ų73132.9 Ų132.975%0.75376%0.757SS**  trans172.448.816500000122.2
2826V27.9Very low28.8Very low136.8 Ų136.8133.3 Ų133.383%0.82976%0.755SS**  trans37.7109146.1-176.20000120.4
2827S26.3Very low28.6Very low100.8 Ų100.8135.7 Ų135.771%0.70576%0.756SS**  trans66.5141135.9166.10000122.5
2828V26.4Very low28.5Very low117.2 Ų117.2136.7 Ų136.771%0.7176%0.76SS**  96.9130.498-132.50000116.9
2829N25.5Very low28.2Very low131.8 Ų131.8138.2 Ų138.271%0.70576%0.758SS**  50.9126.1129.4-65.9-11.3000120.6
2830N27.3Very low27.8Very low144.6 Ų144.6138.9 Ų138.977%0.77376%0.759SS**  121.7128.5124.8-75.4-17.8000118.6
2831L25Very low27.4Very low147 Ų147138.6 Ų138.677%0.7776%0.757SS**  53.8124.1128.8-113.174.9000119.5
2832T25.5Very low27.2Very low111.6 Ų111.6138.9 Ų138.969%0.68576%0.759SS**  trans71.4118141.2650000121.2
2833N25.5Very low26.8Very low150.4 Ų150.4141.4 Ų141.480%0.80476%0.759SS**  71.3123.5129.4-65.6-11.3000119.5
2834K28.8Very low26.4Very low204.6 Ų204.6142.4 Ų142.489%0.8976%0.76SS**  trans168137.2142.3-90.1171.7-179.2177.10112.5
2835S26.1Very low26.3Very low98.2 Ų98.2140.2 Ų140.269%0.68775%0.752SS**  177.8131.67860.70000111.9
2836E25.3Very low26.2Very low158.8 Ų158.8144.9 Ų144.974%0.74275%0.754SS**  trans51.7141.8140.8-64.8-175.1140.600119.4
2837Y25.8Very low26.1Very low186 Ų186147.2 Ų147.273%0.72975%0.753SS**  trans84.1109.5154-69.4-76.5000118.3I2839Y2837-I2839 HydrophobicContact CD1-CD1 3.79Å; Y2837-I2839 HydrophobicContact CE1-CD1 4.43Å
2838L27.5Very low26.1Very low163.6 Ų163.6147.4 Ų147.486%0.85775%0.754SS**  trans-146.9100.7137.4-89.8146.6000109.9
2839I26.3Very low26.2Very low135.8 Ų135.8151.5 Ų151.570%0.69676%0.758SS**  86.112998.7-68.2173.3000111.8Y2837Y2837-I2839 HydrophobicContact CD1-CD1 3.79Å; Y2837-I2839 HydrophobicContact CE1-CD1 4.43Å
2840M23.7Very low26.7Very low151.6 Ų151.6150.1 Ų150.175%0.74776%0.757SS**  trans20.1128.9170.6-68.1161.492.600117.1
2841N24.9Very low27.3Very low131.6 Ų131.6148.6 Ų148.670%0.70476%0.755SS**  148.2125.9123.3-76.5-30.3000114.2
2842N27.9Very low28.4Very low141.2 Ų141.2145 Ų14576%0.75574%0.742SS**  178.6122.8112.5-94.1-13.1000111.5D2844N2842-D2844 VanDerWaalsContact C-N 3.34Å; N2842-D2844 PolarHBondContact O-N 3.13Å
2843Y24.1Very low30.3Very low201.2 Ų201.2143.7 Ų143.779%0.78973%0.731SS**  trans-55.3126.8166.1-73.7-97.6000110.3I2443 N2444 V2845I2443-Y2843 HydrophobicContact CD1-CD2 3.91Å; I2443-Y2843 HydrophobicContact CG1-CD2 4.16Å; I2443-Y2843 HydrophobicContact CG2-CE2 4.34Å; N2444-Y2843 PolarHBondContact OD1-OH 3.05Å; Y2843-V2845 WeakPolarHBondContact O-CG2 3.27Å; Y2843-V2845 PolarHBondContact O-N 2.87Å
2844D25.8Very low32.2Very low144.8 Ų144.8138.6 Ų138.677%0.77471%0.705SS**  -141.6145.2116.4-120-32.5000111.7N2842 H2846N2842-D2844 VanDerWaalsContact C-N 3.34Å; N2842-D2844 PolarHBondContact O-N 3.13Å; D2844-H2846 PolarHBondContact O-N 3.24Å
2845V27.6Very low33.9Very low113.2 Ų113.2131.1 Ų131.169%0.68667%0.674SS**SBendtrans-4.5104.7170.5-169.20000116Y2843Y2843-V2845 WeakPolarHBondContact O-CG2 3.27Å; Y2843-V2845 PolarHBondContact O-N 2.87Å
2846H26.1Very low35.7Very low171.8 Ų171.8130.9 Ų130.980%0.79567%0.665SS**  trans87.681.8162.4-65.9-58.8000119.2D2844 S2848D2844-H2846 PolarHBondContact O-N 3.24Å; H2846-S2848 VanDerWaalsContact C-N 3.29Å; H2846-S2848 PolarHBondContact O-N 3.21Å; H2846-S2848 VanDerWaalsContact O-N 3.1Å
2847K27Very low38.1Very low185.2 Ų185.2127.3 Ų127.381%0.80565%0.65SS**  trans-46.599.7149.9-79.2-175.2175.8-178.20113.3Y2849K2847-Y2849 HydrophobicContact CB-CE2 4.41Å; K2847-Y2849 HydrophobicContact CD-CE2 4.43Å; K2847-Y2849 PolarHBondContact O-N 3.17Å; K2847-Y2849 VanDerWaalsContact O-N 3.16Å
2848S26.1Very low40.5Very low104.4 Ų104.4119.3 Ų119.373%0.7362%0.619SS**PPolyproline II helixtrans-42.8112.7154.6550000110.8H2846H2846-S2848 VanDerWaalsContact C-N 3.29Å; H2846-S2848 PolarHBondContact O-N 3.21Å; H2846-S2848 VanDerWaalsContact O-N 3.1Å
2849Y28.2Very low42.4Very low203.4 Ų203.4114.2 Ų114.280%0.79859%0.591SS**PPolyproline II helixtrans-72.3138.1155.3-74.7-94.7000107.5K2847K2847-Y2849 HydrophobicContact CB-CE2 4.41Å; K2847-Y2849 HydrophobicContact CD-CE2 4.43Å; K2847-Y2849 PolarHBondContact O-N 3.17Å; K2847-Y2849 VanDerWaalsContact O-N 3.16Å
2850P36.9Very low44.7Very low103.8 Ų103.8112.6 Ų112.667%0.67458%0.584SS**PPolyproline II helixtrans-58.5145.2164.628.3-33.4000108.2S2852P2850-S2852 VanDerWaalsContact C-N 3.31Å; P2850-S2852 PolarHBondContact O-N 3.21Å; P2850-S2852 VanDerWaalsContact O-N 3.15Å
2851P38.4Very low47.3Very low113.4 Ų113.4107.7 Ų107.774%0.73656%0.56SS**PPolyproline II helixtrans-58.4119.3168.126.1-32000107.6L2794 D2853L2794-P2851 HydrophobicContact CD1-CB 4.43Å; P2851-D2853 PolarHBondContact O-N 3.01Å
2852S49Very low49.5Very low70.2 Ų70.2104.3 Ų104.349%0.49154%0.539SS..PPolyproline II helixtrans-51.7143.5170.5-53.80000108.9P2850 P2854P2850-S2852 VanDerWaalsContact C-N 3.31Å; P2850-S2852 PolarHBondContact O-N 3.21Å; P2850-S2852 VanDerWaalsContact O-N 3.15Å; S2852-P2854 VanDerWaalsContact O-N 3.16Å
2853D64.2Low51.5Low85 Ų85100.7 Ų100.746%0.45552%0.519SS..PPolyproline II helixtrans-57.2135.3178-149.6-46.5000107.8P2851 E2855 D2856 I2857P2851-D2853 PolarHBondContact O-N 3.01Å; D2853-E2855 HydrophobicContact CB-CB 4.11Å; D2853-E2855 CarbonylContact O-C 3.58Å; D2853-E2855 PolarHBondContact O-N 3.02Å; D2853-E2855 VanDerWaalsContact O-N 3.13Å; D2853-E2855 WeakPolarHBondContact OD1-CB 3.39Å; D2853-E2855 PolarHBondContact OD1-N 2.92Å; D2853-E2855 VanDerWaalsContact OD1-N 3.09Å; D2853-D2856 HydrophobicContact CB-CB 4.36Å; D2853-D2856 WeakPolarHBondContact CB-OD2 3.26Å; D2853-D2856 PolarHBondContact N-OD2 3.14Å; D2853-D2856 VanDerWaalsContact N-OD2 3.17Å; D2853-D2856 WeakPolarHBondContact O-CA 3.25Å; D2853-D2856 VanDerWaalsContact O-CB 3.29Å; D2853-D2856 WeakPolarHBondContact O-CB 3.31Å; D2853-D2856 PolarHBondContact O-N 3.07Å; D2853-I2857 WeakPolarHBondContact O-CG1 3.26Å; D2853-I2857 PolarHBondContact O-N 3.13Å; D2853-I2857 VanDerWaalsContact O-N 3.09Å
2854P66.8Low53.8Low42.2 Ų42.294.8 Ų94.827%0.27450%0.501SS..Hα-helixtrans-52.2-26.1172.618.3-31.4000112.3L2783 L2788 S2852 I2857 L2858L2783-P2854 HydrophobicContact CD1-CB 4.12Å; L2783-P2854 HydrophobicContact CD1-CG 3.84Å; L2788-P2854 HydrophobicContact CD1-CG 3.95Å; L2788-P2854 HydrophobicContact CD2-CB 4.26Å; L2788-P2854 HydrophobicContact CD2-CG 3.41Å; L2788-P2854 VanDerWaalsContact CD2-CG 3.43Å; L2788-P2854 HydrophobicContact CG-CG 4.18Å; S2852-P2854 VanDerWaalsContact O-N 3.16Å; P2854-I2857 PolarHBondContact O-N 3.1Å; P2854-L2858 WeakPolarHBondContact O-CB 3.24Å; P2854-L2858 WeakPolarHBondContact O-CD1 3.29Å; P2854-L2858 WeakPolarHBondContact O-CG 3.27Å; P2854-L2858 PolarHBondContact O-N 2.99Å
2855E63.7Low56.1Low48.2 Ų48.289.3 Ų89.323%0.22547%0.47CS..Hα-helixtrans-54.4-52165.1-168.173.9-15600113.2A2781 L2782 L2783 D2853 I2857 L2858 Q2859A2781-E2855 VanDerWaalsContact CA-OE1 3.24Å; A2781-E2855 WeakPolarHBondContact CA-OE1 3.47Å; L2782-E2855 WeakPolarHBondContact CA-OE2 3.2Å; L2782-E2855 WeakPolarHBondContact CB-OE1 3.28Å; L2782-E2855 VanDerWaalsContact CB-OE2 3.27Å; L2782-E2855 WeakPolarHBondContact CB-OE2 3.27Å; L2782-E2855 VanDerWaalsContact CD1-CD 3.45Å; L2782-E2855 HydrophobicContact CD1-CG 4.36Å; L2782-E2855 VanDerWaalsContact CD1-OE1 3.25Å; L2782-E2855 WeakPolarHBondContact CD1-OE1 3.37Å; L2782-E2855 WeakPolarHBondContact CD1-OE2 3.43Å; L2782-E2855 VanDerWaalsContact CG-OE1 3.31Å; L2782-E2855 WeakPolarHBondContact CG-OE1 3.38Å; L2782-E2855 WeakPolarHBondContact CG-OE2 3.25Å; L2782-E2855 PolarHBondContact N-OE1 3.26Å; L2782-E2855 PolarHBondContact N-OE2 2.92Å; L2783-E2855 PolarHBondContact N-OE2 2.93Å; L2783-E2855 VanDerWaalsContact N-OE2 3.1Å; D2853-E2855 HydrophobicContact CB-CB 4.11Å; D2853-E2855 CarbonylContact O-C 3.58Å; D2853-E2855 PolarHBondContact O-N 3.02Å; D2853-E2855 VanDerWaalsContact O-N 3.13Å; D2853-E2855 WeakPolarHBondContact OD1-CB 3.39Å; D2853-E2855 PolarHBondContact OD1-N 2.92Å; D2853-E2855 VanDerWaalsContact OD1-N 3.09Å; E2855-I2857 VanDerWaalsContact C-N 3.29Å; E2855-I2857 PolarHBondContact O-N 3.08Å; E2855-L2858 PolarHBondContact O-N 3.24Å; E2855-Q2859 VanDerWaalsContact O-CB 3.28Å; E2855-Q2859 WeakPolarHBondContact O-CB 3.41Å; E2855-Q2859 PolarHBondContact O-N 3.04Å
2856D64.8Low58Low92.6 Ų92.687 Ų8750%0.49545%0.452SS..Hα-helixtrans-60.8-41177.8-63.8-37.8000111.4D2853 Q2859 L2860D2853-D2856 HydrophobicContact CB-CB 4.36Å; D2853-D2856 WeakPolarHBondContact CB-OD2 3.26Å; D2853-D2856 PolarHBondContact N-OD2 3.14Å; D2853-D2856 VanDerWaalsContact N-OD2 3.17Å; D2853-D2856 WeakPolarHBondContact O-CA 3.25Å; D2853-D2856 VanDerWaalsContact O-CB 3.29Å; D2853-D2856 WeakPolarHBondContact O-CB 3.31Å; D2853-D2856 PolarHBondContact O-N 3.07Å; D2856-Q2859 PolarHBondContact O-N 3.14Å; D2856-L2860 VanDerWaalsContact O-CB 3.3Å; D2856-L2860 WeakPolarHBondContact O-CB 3.36Å; D2856-L2860 PolarHBondContact O-N 3.18Å
2857I75.9Confident59.9Low84.4 Ų84.484.8 Ų84.843%0.43345%0.445SS..Hα-helixtrans-66.3-44.4179.5-60.3175.4000110.1D2853 P2854 E2855 Q2859 L2860 I2861D2853-I2857 WeakPolarHBondContact O-CG1 3.26Å; D2853-I2857 PolarHBondContact O-N 3.13Å; D2853-I2857 VanDerWaalsContact O-N 3.09Å; P2854-I2857 PolarHBondContact O-N 3.1Å; E2855-I2857 VanDerWaalsContact C-N 3.29Å; E2855-I2857 PolarHBondContact O-N 3.08Å; I2857-Q2859 PolarHBondContact O-N 2.83Å; I2857-L2860 PolarHBondContact O-N 3.13Å; I2857-I2861 HydrophobicContact CG2-CD1 4.1Å; I2857-I2861 WeakPolarHBondContact O-CD1 3.48Å; I2857-I2861 VanDerWaalsContact O-CG1 3.28Å; I2857-I2861 WeakPolarHBondContact O-CG1 3.41Å; I2857-I2861 PolarHBondContact O-N 3.12Å
2858L74.6Confident61.7Low17.2 Ų17.277.7 Ų77.79%0.0942%0.418CS..Hα-helixtrans-61.7-46.1174.6-72.5169.6000110.9L2782 L2783 P2854 E2855 L2860 I2861 K2862 L2932 F2936 L2939L2782-L2858 HydrophobicContact CB-CD1 4.28Å; L2782-L2858 HydrophobicContact CD1-CB 4.01Å; L2782-L2858 HydrophobicContact CD1-CD1 3.89Å; L2783-L2858 HydrophobicContact CD1-CD1 3.75Å; L2783-L2858 HydrophobicContact CG-CD1 4.15Å; P2854-L2858 WeakPolarHBondContact O-CB 3.24Å; P2854-L2858 WeakPolarHBondContact O-CD1 3.29Å; P2854-L2858 WeakPolarHBondContact O-CG 3.27Å; P2854-L2858 PolarHBondContact O-N 2.99Å; E2855-L2858 PolarHBondContact O-N 3.24Å; L2858-L2860 VanDerWaalsContact C-N 3.31Å; L2858-L2860 PolarHBondContact O-N 3.03Å; L2858-I2861 WeakPolarHBondContact O-CB 3.36Å; L2858-I2861 PolarHBondContact O-N 3.04Å; L2858-I2861 VanDerWaalsContact O-N 3.1Å; L2858-K2862 WeakPolarHBondContact O-CB 3.13Å; L2858-K2862 PolarHBondContact O-N 3.17Å; L2858-L2932 HydrophobicContact CD1-CD1 3.76Å; L2858-L2932 HydrophobicContact CD2-CD1 3.97Å; L2858-L2932 HydrophobicContact CG-CD1 4.45Å; L2858-F2936 VanDerWaalsContact C-CE1 3.45Å; L2858-F2936 HydrophobicContact CB-CD1 4.3Å; L2858-F2936 HydrophobicContact CB-CE1 4.04Å; L2858-F2936 HydrophobicContact CB-CE2 4.32Å; L2858-F2936 HydrophobicContact CB-CZ 3.97Å; L2858-F2936 HydrophobicContact CD1-CE2 4.48Å; L2858-F2936 WeakPolarHBondContact O-CE1 3.27Å; L2858-F2936 WeakPolarHBondContact O-CZ 3.4Å; L2858-L2939 HydrophobicContact CD2-CD1 3.61Å
2859Q68.3Low63.1Low56.2 Ų56.274 Ų7426%0.26340%0.397SS..Hα-helixtrans-63.2-36.6178.3-175.159.422.400112.2E2855 D2856 I2857 K2862 L2863 F3432E2855-Q2859 VanDerWaalsContact O-CB 3.28Å; E2855-Q2859 WeakPolarHBondContact O-CB 3.41Å; E2855-Q2859 PolarHBondContact O-N 3.04Å; D2856-Q2859 PolarHBondContact O-N 3.14Å; I2857-Q2859 PolarHBondContact O-N 2.83Å; Q2859-K2862 WeakPolarHBondContact O-CB 3.35Å; Q2859-K2862 PolarHBondContact O-N 3.03Å; Q2859-L2863 WeakPolarHBondContact O-CG 3.38Å; Q2859-L2863 PolarHBondContact O-N 3.1Å; Q2859-F3432 HydrophobicContact CG-CD1 4.1Å; Q2859-F3432 HydrophobicContact CG-CD2 3.78Å; Q2859-F3432 HydrophobicContact CG-CE1 4.01Å; Q2859-F3432 HydrophobicContact CG-CE2 3.31Å; Q2859-F3432 HydrophobicContact CG-CG 4.25Å; Q2859-F3432 HydrophobicContact CG-CZ 3.46Å; Q2859-F3432 VanDerWaalsContact CG-CZ 3.46Å
2860L73.6Confident64.4Low102.8 Ų102.866.6 Ų66.654%0.53837%0.371SS..Hα-helixtrans-64.4-43.8171.5178.662.2000112D2856 I2857 L2858 K2862 L2863 L2864D2856-L2860 VanDerWaalsContact O-CB 3.3Å; D2856-L2860 WeakPolarHBondContact O-CB 3.36Å; D2856-L2860 PolarHBondContact O-N 3.18Å; I2857-L2860 PolarHBondContact O-N 3.13Å; L2858-L2860 VanDerWaalsContact C-N 3.31Å; L2858-L2860 PolarHBondContact O-N 3.03Å; L2860-K2862 VanDerWaalsContact C-N 3.28Å; L2860-K2862 PolarHBondContact O-N 3.22Å; L2860-L2863 PolarHBondContact O-N 2.89Å; L2860-L2864 HydrophobicContact CD1-CD1 4.46Å; L2860-L2864 HydrophobicContact CD1-CG 4.42Å; L2860-L2864 HydrophobicContact CG-CD1 4.17Å; L2860-L2864 WeakPolarHBondContact O-CB 3.22Å; L2860-L2864 WeakPolarHBondContact O-CG 3.36Å; L2860-L2864 PolarHBondContact O-N 3.04Å
2861I78.6Confident65.1Low48.6 Ų48.667.6 Ų67.625%0.24937%0.365CS..Hα-helixtrans-60.6-38.3175.6-68.6163.8000110.8I2857 L2858 L2863 L2864 Y2865 F2901 I2938 L2939I2857-I2861 HydrophobicContact CG2-CD1 4.1Å; I2857-I2861 WeakPolarHBondContact O-CD1 3.48Å; I2857-I2861 VanDerWaalsContact O-CG1 3.28Å; I2857-I2861 WeakPolarHBondContact O-CG1 3.41Å; I2857-I2861 PolarHBondContact O-N 3.12Å; L2858-I2861 WeakPolarHBondContact O-CB 3.36Å; L2858-I2861 PolarHBondContact O-N 3.04Å; L2858-I2861 VanDerWaalsContact O-N 3.1Å; I2861-L2863 PolarHBondContact O-N 3.46Å; I2861-L2864 PolarHBondContact O-N 3.23Å; I2861-Y2865 PolarHBondContact O-N 3.11Å; I2861-F2901 HydrophobicContact CG2-CD1 4.09Å; I2861-I2938 HydrophobicContact CG2-CD1 4.1Å; I2861-L2939 HydrophobicContact CG2-CD2 4.35Å
2862K71.3Confident65.4Low60.6 Ų60.668.6 Ų68.626%0.26336%0.359SS..Hα-helixtrans-64.4-42.9174.6-175.5177.2172.3-172.70112.5L2858 Q2859 L2860 Y2865 Q2866 R2935 F2936 F3432 S3436L2858-K2862 WeakPolarHBondContact O-CB 3.13Å; L2858-K2862 PolarHBondContact O-N 3.17Å; Q2859-K2862 WeakPolarHBondContact O-CB 3.35Å; Q2859-K2862 PolarHBondContact O-N 3.03Å; L2860-K2862 VanDerWaalsContact C-N 3.28Å; L2860-K2862 PolarHBondContact O-N 3.22Å; K2862-Y2865 PolarHBondContact O-N 3.13Å; K2862-Q2866 VanDerWaalsContact O-CG 3.27Å; K2862-Q2866 WeakPolarHBondContact O-CG 3.28Å; K2862-Q2866 PolarHBondContact O-N 2.98Å; K2862-Q2866 VanDerWaalsContact O-N 3.09Å; K2862-Q2866 PolarHBondContact O-OE1 3.29Å; K2862-R2935 PolarHBondContact NZ-O 2.85Å; K2862-F2936 HydrophobicContact CB-CD1 3.94Å; K2862-F2936 HydrophobicContact CB-CE1 3.55Å; K2862-F2936 HydrophobicContact CB-CZ 3.78Å; K2862-F2936 VanDerWaalsContact CB-CZ 3.48Å; K2862-F2936 HydrophobicContact CD-CD1 4.04Å; K2862-F2936 HydrophobicContact CD-CE1 3.83Å; K2862-F2936 VanDerWaalsContact CD-CE1 3.41Å; K2862-F2936 HydrophobicContact CD-CE2 4.25Å; K2862-F2936 HydrophobicContact CD-CZ 3.98Å; K2862-F2936 HydrophobicContact CG-CD1 4.44Å; K2862-F2936 HydrophobicContact CG-CE1 4.08Å; K2862-F2936 HydrophobicContact CG-CE2 4.29Å; K2862-F2936 HydrophobicContact CG-CZ 3.51Å; K2862-F3432 PolarHBondContact NZ-O 3.26Å; K2862-F3432 VanDerWaalsContact NZ-O 3.1Å; K2862-S3436 PolarHBondContact NZ-OG 2.82Å
2863L70.2Confident64.8Low65.2 Ų65.272.8 Ų72.834%0.34137%0.369SS..Hα-helixtrans-65.1-43175.6-71.5168.8000111.2Q2859 L2860 I2861 Y2865 Q2866 L2867 F3432 L3435 E3439Q2859-L2863 WeakPolarHBondContact O-CG 3.38Å; Q2859-L2863 PolarHBondContact O-N 3.1Å; L2860-L2863 PolarHBondContact O-N 2.89Å; I2861-L2863 PolarHBondContact O-N 3.46Å; L2863-Y2865 VanDerWaalsContact C-N 3.34Å; L2863-Y2865 PolarHBondContact O-N 3.16Å; L2863-Q2866 WeakPolarHBondContact O-CB 3.32Å; L2863-Q2866 PolarHBondContact O-N 3.08Å; L2863-Q2866 VanDerWaalsContact O-N 3.13Å; L2863-L2867 VanDerWaalsContact O-CB 3.31Å; L2863-L2867 WeakPolarHBondContact O-CB 3.29Å; L2863-L2867 WeakPolarHBondContact O-CD1 3.41Å; L2863-L2867 VanDerWaalsContact O-CG 3.3Å; L2863-L2867 WeakPolarHBondContact O-CG 3.36Å; L2863-L2867 PolarHBondContact O-N 3.16Å; L2863-F3432 HydrophobicContact CD1-CZ 4.05Å; L2863-F3432 HydrophobicContact CD2-CE1 3.83Å; L2863-F3432 HydrophobicContact CD2-CZ 4.04Å; L2863-F3432 HydrophobicContact CG-CE1 4.14Å; L2863-F3432 HydrophobicContact CG-CZ 4.09Å; L2863-L3435 HydrophobicContact CD2-CB 4.22Å; L2863-L3435 HydrophobicContact CD2-CD1 4.34Å; L2863-L3435 HydrophobicContact CD2-CD2 4.32Å; L2863-E3439 HydrophobicContact CD2-CB 4.2Å; L2863-E3439 HydrophobicContact CD2-CG 3.73Å
2864L73.5Confident63.3Low78.6 Ų78.673.4 Ų73.441%0.41238%0.38SS..Hα-helixtrans-60.2-43.9175.4-87.1154.2000111.9L2860 I2861 Q2866 L2867 S2868 F2901L2860-L2864 HydrophobicContact CD1-CD1 4.46Å; L2860-L2864 HydrophobicContact CD1-CG 4.42Å; L2860-L2864 HydrophobicContact CG-CD1 4.17Å; L2860-L2864 WeakPolarHBondContact O-CB 3.22Å; L2860-L2864 WeakPolarHBondContact O-CG 3.36Å; L2860-L2864 PolarHBondContact O-N 3.04Å; I2861-L2864 PolarHBondContact O-N 3.23Å; L2864-Q2866 VanDerWaalsContact C-N 3.32Å; L2864-Q2866 PolarHBondContact O-N 3.09Å; L2864-L2867 CarbonylContact O-C 3.57Å; L2864-L2867 WeakPolarHBondContact O-CA 3.4Å; L2864-L2867 WeakPolarHBondContact O-CB 3.44Å; L2864-L2867 PolarHBondContact O-N 3.17Å; L2864-S2868 WeakPolarHBondContact O-CB 3.44Å; L2864-S2868 PolarHBondContact O-N 3.15Å; L2864-S2868 VanDerWaalsContact O-N 3.13Å; L2864-S2868 PolarHBondContact O-OG 3.2Å; L2864-F2901 HydrophobicContact CB-CE1 4.18Å; L2864-F2901 HydrophobicContact CD2-CE1 4.06Å; L2864-F2901 HydrophobicContact CD2-CZ 4.36Å; L2864-F2901 HydrophobicContact CG-CE1 3.96Å; L2864-F2901 HydrophobicContact CG-CZ 4.11Å
2865Y72.1Confident61.7Low27.6 Ų27.677.6 Ų77.611%0.10840%0.399CS..Hα-helixtrans-64-37.5175.2178.3-101.2000112.7I2861 K2862 L2863 L2867 S2868 L2870 K2871 M2898 F2901 I2938I2861-Y2865 PolarHBondContact O-N 3.11Å; K2862-Y2865 PolarHBondContact O-N 3.13Å; L2863-Y2865 VanDerWaalsContact C-N 3.34Å; L2863-Y2865 PolarHBondContact O-N 3.16Å; Y2865-L2867 VanDerWaalsContact C-N 3.31Å; Y2865-L2867 PolarHBondContact O-N 3.49Å; Y2865-S2868 PolarHBondContact O-N 3Å; Y2865-S2868 PolarHBondContact O-OG 3.12Å; Y2865-L2870 HydrophobicContact CD2-CB 4.26Å; Y2865-L2870 HydrophobicContact CD2-CD1 4.4Å; Y2865-L2870 HydrophobicContact CE2-CB 3.72Å; Y2865-L2870 VanDerWaalsContact CE2-CB 3.49Å; Y2865-L2870 HydrophobicContact CE2-CD1 4.28Å; Y2865-L2870 PolarHBondContact OH-O 2.95Å; Y2865-L2870 VanDerWaalsContact OH-O 3.13Å; Y2865-K2871 HydrophobicContact CE1-CB 4.13Å; Y2865-K2871 HydrophobicContact CE1-CG 4.28Å; Y2865-M2898 HydrophobicContact CE2-CE 4.33Å; Y2865-M2898 HydrophobicContact CE2-SD 3.6Å; Y2865-M2898 WeakPolarHBondContact OH-CE 3.34Å; Y2865-F2901 HydrophobicContact CD2-CD1 4.34Å; Y2865-F2901 AromaticContact CD2-CD2 3.93Å; Y2865-F2901 HydrophobicContact CD2-CD2 4Å; Y2865-F2901 HydrophobicContact CD2-CE1 4.43Å; Y2865-F2901 AromaticContact CD2-CE2 3.94Å; Y2865-F2901 HydrophobicContact CD2-CE2 4.1Å; Y2865-F2901 HydrophobicContact CD2-CG 4.13Å; Y2865-F2901 HydrophobicContact CD2-CZ 4.31Å; Y2865-I2938 HydrophobicContact CD1-CD1 4.27Å; Y2865-I2938 HydrophobicContact CD1-CG2 3.78Å; Y2865-I2938 HydrophobicContact CD2-CB 4.4Å; Y2865-I2938 HydrophobicContact CD2-CD1 4.23Å; Y2865-I2938 HydrophobicContact CD2-CG2 3.84Å; Y2865-I2938 HydrophobicContact CE1-CG2 3.66Å; Y2865-I2938 HydrophobicContact CE2-CB 4.44Å; Y2865-I2938 HydrophobicContact CE2-CG2 3.72Å; Y2865-I2938 HydrophobicContact CG-CD1 3.83Å; Y2865-I2938 HydrophobicContact CG-CG2 3.87Å; Y2865-I2938 VanDerWaalsContact CZ-CG2 3.47Å
2866Q68.6Low60.1Low66.4 Ų66.483.2 Ų83.231%0.3143%0.425SS..Hα-helixtrans-66.4-39.8174.5-72.9173.7-43.200112.1K2862 L2863 L2864 S2868 G2869 K2871 S3436 E3439K2862-Q2866 VanDerWaalsContact O-CG 3.27Å; K2862-Q2866 WeakPolarHBondContact O-CG 3.28Å; K2862-Q2866 PolarHBondContact O-N 2.98Å; K2862-Q2866 VanDerWaalsContact O-N 3.09Å; K2862-Q2866 PolarHBondContact O-OE1 3.29Å; L2863-Q2866 WeakPolarHBondContact O-CB 3.32Å; L2863-Q2866 PolarHBondContact O-N 3.08Å; L2863-Q2866 VanDerWaalsContact O-N 3.13Å; L2864-Q2866 VanDerWaalsContact C-N 3.32Å; L2864-Q2866 PolarHBondContact O-N 3.09Å; Q2866-S2868 VanDerWaalsContact C-N 3.3Å; Q2866-S2868 PolarHBondContact O-N 3.06Å; Q2866-G2869 PolarHBondContact O-N 2.96Å; Q2866-K2871 HydrophobicContact CG-CD 4.31Å; Q2866-S3436 VanDerWaalsContact NE2-CA 3.29Å; Q2866-S3436 PolarHBondContact NE2-OG 2.91Å; Q2866-E3439 HydrophobicContact CB-CB 4.26Å; Q2866-E3439 HydrophobicContact CB-CG 3.81Å; Q2866-E3439 VanDerWaalsContact CB-OE2 3.28Å; Q2866-E3439 WeakPolarHBondContact CB-OE2 3.34Å; Q2866-E3439 VanDerWaalsContact O-CG 3.31Å; Q2866-E3439 WeakPolarHBondContact O-CG 3.36Å
2867L65.3Low58.4Low124 Ų12486.1 Ų86.165%0.64944%0.441SS*.Hα-helixtrans-71.1-25.7177.1-73166.4000113.5L2863 L2864 Y2865 G2869 E3439 Y3447L2863-L2867 VanDerWaalsContact O-CB 3.31Å; L2863-L2867 WeakPolarHBondContact O-CB 3.29Å; L2863-L2867 WeakPolarHBondContact O-CD1 3.41Å; L2863-L2867 VanDerWaalsContact O-CG 3.3Å; L2863-L2867 WeakPolarHBondContact O-CG 3.36Å; L2863-L2867 PolarHBondContact O-N 3.16Å; L2864-L2867 CarbonylContact O-C 3.57Å; L2864-L2867 WeakPolarHBondContact O-CA 3.4Å; L2864-L2867 WeakPolarHBondContact O-CB 3.44Å; L2864-L2867 PolarHBondContact O-N 3.17Å; Y2865-L2867 VanDerWaalsContact C-N 3.31Å; Y2865-L2867 PolarHBondContact O-N 3.49Å; L2867-G2869 VanDerWaalsContact C-N 3.3Å; L2867-G2869 PolarHBondContact O-N 3.38Å; L2867-G2869 VanDerWaalsContact O-N 3.09Å; L2867-E3439 WeakPolarHBondContact CA-OE1 3.09Å; L2867-E3439 PolarHBondContact N-OE2 3.19Å; L2867-Y3447 PolarHBondContact O-OH 3.34Å
2868S65.6Low56.2Low36.2 Ų36.288.4 Ų88.425%0.25345%0.454SS..THydrogen-bonded Turntrans-72.5-5.6-179.529.10000114.6L2864 Y2865 Q2866 L2870 M2896L2864-S2868 WeakPolarHBondContact O-CB 3.44Å; L2864-S2868 PolarHBondContact O-N 3.15Å; L2864-S2868 VanDerWaalsContact O-N 3.13Å; L2864-S2868 PolarHBondContact O-OG 3.2Å; Y2865-S2868 PolarHBondContact O-N 3Å; Y2865-S2868 PolarHBondContact O-OG 3.12Å; Q2866-S2868 VanDerWaalsContact C-N 3.3Å; Q2866-S2868 PolarHBondContact O-N 3.06Å; S2868-L2870 PolarHBondContact O-N 3.16Å; S2868-L2870 VanDerWaalsContact O-N 3.1Å; S2868-L2870 WeakPolarHBondContact OG-CB 3.22Å; S2868-L2870 WeakPolarHBondContact OG-CD1 3.4Å; S2868-L2870 WeakPolarHBondContact OG-CG 3.29Å; S2868-L2870 PolarHBondContact OG-N 3.25Å; S2868-M2896 PolarHBondContact OG-SD 3.09Å; S2868-M2896 VanDerWaalsContact OG-SD 3.37Å
2869G55.1Low54.2Low26.4 Ų26.494.1 Ų94.127%0.27249%0.485SS..  trans70.5-8.6-178.200000115.3Q2866 L2867 K2871 E2872 F2873Q2866-G2869 PolarHBondContact O-N 2.96Å; L2867-G2869 VanDerWaalsContact C-N 3.3Å; L2867-G2869 PolarHBondContact O-N 3.38Å; L2867-G2869 VanDerWaalsContact O-N 3.09Å; G2869-K2871 PolarHBondContact O-N 3.01Å; G2869-K2871 VanDerWaalsContact O-N 3.11Å; G2869-E2872 PolarHBondContact O-N 3.12Å; G2869-F2873 VanDerWaalsContact O-CD2 3.31Å; G2869-F2873 WeakPolarHBondContact O-CD2 3.47Å; G2869-F2873 VanDerWaalsContact O-CE2 3.3Å; G2869-F2873 WeakPolarHBondContact O-CE2 3.39Å; G2869-F2873 PolarHBondContact O-N 2.84Å
2870L56.7Low52.5Low49 Ų4998.6 Ų98.626%0.25751%0.511SS..THydrogen-bonded Turntrans-61-3.3-178.9-69.6175.6000115.2Y2865 S2868 E2872 M2896 K2897 F2901Y2865-L2870 HydrophobicContact CD2-CB 4.26Å; Y2865-L2870 HydrophobicContact CD2-CD1 4.4Å; Y2865-L2870 HydrophobicContact CE2-CB 3.72Å; Y2865-L2870 VanDerWaalsContact CE2-CB 3.49Å; Y2865-L2870 HydrophobicContact CE2-CD1 4.28Å; Y2865-L2870 PolarHBondContact OH-O 2.95Å; Y2865-L2870 VanDerWaalsContact OH-O 3.13Å; S2868-L2870 PolarHBondContact O-N 3.16Å; S2868-L2870 VanDerWaalsContact O-N 3.1Å; S2868-L2870 WeakPolarHBondContact OG-CB 3.22Å; S2868-L2870 WeakPolarHBondContact OG-CD1 3.4Å; S2868-L2870 WeakPolarHBondContact OG-CG 3.29Å; S2868-L2870 PolarHBondContact OG-N 3.25Å; L2870-E2872 VanDerWaalsContact C-N 3.3Å; L2870-E2872 PolarHBondContact O-N 3.42Å; L2870-M2896 HydrophobicContact CD1-CB 4.26Å; L2870-M2896 WeakPolarHBondContact CD2-O 3.29Å; L2870-K2897 WeakPolarHBondContact CD1-O 3.32Å; L2870-F2901 HydrophobicContact CD1-CD2 4.3Å; L2870-F2901 HydrophobicContact CD1-CE2 3.84Å
2871K51.3Low50.5Low125.8 Ų125.8100.3 Ų100.355%0.54752%0.521SS..THydrogen-bonded Turntrans-81.219.2176.2-159-178.6178.8-171.60112.4Y2865 Q2866 G2869 F2873 S3436Y2865-K2871 HydrophobicContact CE1-CB 4.13Å; Y2865-K2871 HydrophobicContact CE1-CG 4.28Å; Q2866-K2871 HydrophobicContact CG-CD 4.31Å; G2869-K2871 PolarHBondContact O-N 3.01Å; G2869-K2871 VanDerWaalsContact O-N 3.11Å; K2871-F2873 PolarHBondContact O-N 3.06Å; K2871-F2873 VanDerWaalsContact O-N 3.13Å; K2871-S3436 PolarHBondContact NZ-OG 2.78Å
2872E44.4Very low48.4Very low133 Ų133104.4 Ų104.462%0.62154%0.543SS*.  trans-81.214.1176.2-76.4-176.7162.500114.4G2869 L2870 S2874 T3681 T3683G2869-E2872 PolarHBondContact O-N 3.12Å; L2870-E2872 VanDerWaalsContact C-N 3.3Å; L2870-E2872 PolarHBondContact O-N 3.42Å; E2872-S2874 PolarHBondContact O-N 2.92Å; E2872-T3681 WeakPolarHBondContact OE1-CB 3.31Å; E2872-T3681 PolarHBondContact OE1-OG1 3.37Å; E2872-T3683 VanDerWaalsContact CD-OG1 3.25Å; E2872-T3683 HydrophobicContact CG-CG2 3.99Å; E2872-T3683 WeakPolarHBondContact OE1-CB 3.27Å; E2872-T3683 WeakPolarHBondContact OE1-CG2 3.36Å; E2872-T3683 PolarHBondContact OE1-OG1 3.02Å; E2872-T3683 VanDerWaalsContact OE2-CG2 3.27Å; E2872-T3683 WeakPolarHBondContact OE2-CG2 3.29Å; E2872-T3683 PolarHBondContact OE2-N 3.3Å
2873F36.5Very low46.6Very low159.2 Ų159.2108.3 Ų108.370%0.69857%0.566SS**  trans-84.854.3177.3-83-77.4000113.7G2869 K2871 L2875G2869-F2873 VanDerWaalsContact O-CD2 3.31Å; G2869-F2873 WeakPolarHBondContact O-CD2 3.47Å; G2869-F2873 VanDerWaalsContact O-CE2 3.3Å; G2869-F2873 WeakPolarHBondContact O-CE2 3.39Å; G2869-F2873 PolarHBondContact O-N 2.84Å; K2871-F2873 PolarHBondContact O-N 3.06Å; K2871-F2873 VanDerWaalsContact O-N 3.13Å; F2873-L2875 PolarHBondContact O-N 3.1Å; F2873-L2875 VanDerWaalsContact O-N 3.1Å
2874S32Very low45Very low97.6 Ų97.6113 Ų11368%0.68359%0.592SS**  trans-112.331.6173.472.80000113.2E2872 E2876E2872-S2874 PolarHBondContact O-N 2.92Å; S2874-E2876 PolarHBondContact O-N 3.43Å
2875L32.4Very low43.1Very low129.6 Ų129.6117 Ų11768%0.67961%0.614SS**SBendtrans-108.673.2169.2-108120.4000110.9F2873 N2877 I3529F2873-L2875 PolarHBondContact O-N 3.1Å; F2873-L2875 VanDerWaalsContact O-N 3.1Å; L2875-N2877 PolarHBondContact O-N 3.44Å; L2875-N2877 VanDerWaalsContact O-N 3.1Å; L2875-I3529 HydrophobicContact CD1-CD1 4.22Å; L2875-I3529 HydrophobicContact CD2-CD1 3.7Å
2876E31.4Very low41.3Very low165.2 Ų165.2120.7 Ų120.777%0.77264%0.644SS**  trans-76.775.6175.6-68.5-175.4172.600112S2874 N2878S2874-E2876 PolarHBondContact O-N 3.43Å; E2876-N2878 PolarHBondContact O-N 3.18Å; E2876-N2878 PolarHBondContact OE2-ND2 3.04Å
2877N28.6Very low39.5Very low154.8 Ų154.8125.7 Ų125.783%0.82867%0.672SS**  trans-96.173.2170.5-148.87.3000110.9L2875 N2879L2875-N2877 PolarHBondContact O-N 3.44Å; L2875-N2877 VanDerWaalsContact O-N 3.1Å; N2877-N2879 PolarHBondContact O-N 3.13Å; N2877-N2879 VanDerWaalsContact O-N 3.09Å
2878N30.8Very low38.1Very low131.8 Ų131.8126 Ų12671%0.70568%0.678SS**  trans-122.183.7172.3-122.6-21.9000111.3E2876 N2880E2876-N2878 PolarHBondContact O-N 3.18Å; E2876-N2878 PolarHBondContact OE2-ND2 3.04Å; N2878-N2880 VanDerWaalsContact C-N 3.31Å; N2878-N2880 PolarHBondContact O-N 2.78Å; N2878-N2880 VanDerWaalsContact O-N 3.11Å
2879N31Very low36.5Very low137.8 Ų137.8127.2 Ų127.274%0.73770%0.696SS**  trans-25.695.4166.9-69.5-30.1000114.8N2877 N2881N2877-N2879 PolarHBondContact O-N 3.13Å; N2877-N2879 VanDerWaalsContact O-N 3.09Å; N2879-N2881 PolarHBondContact O-N 2.87Å; N2879-N2881 VanDerWaalsContact O-N 3.13Å
2880N32.3Very low35.3Very low149.6 Ų149.6136.4 Ų136.480%0.873%0.729SS**  -127.5106.9129.4-102.3-32.8000111.4N2878 N2882N2878-N2880 VanDerWaalsContact C-N 3.31Å; N2878-N2880 PolarHBondContact O-N 2.78Å; N2878-N2880 VanDerWaalsContact O-N 3.11Å; N2880-N2882 PolarHBondContact O-N 3.28Å
2881N32.9Very low34.1Very low140 Ų140139 Ų13975%0.74975%0.752SS**  trans-104.8109.6161.4-79.9-33.5000112.2N2879N2879-N2881 PolarHBondContact O-N 2.87Å; N2879-N2881 VanDerWaalsContact O-N 3.13Å
2882N34.6Very low33.3Very low134.8 Ų134.8142.3 Ų142.372%0.72177%0.769SS**  trans126.7123.2137.6-74.7-41.5000115.1N2880N2880-N2882 PolarHBondContact O-N 3.28Å
2883N32.8Very low33.2Very low141 Ų141141 Ų14175%0.75477%0.774SS**  trans51.1107.1144.9-52.3-29.1000117.8
2884D36.6Very low33.8Very low165.4 Ų165.4140.2 Ų140.288%0.88478%0.776SS**  -148.3140.5108.8-107.5-30.1000113.3S2886D2884-S2886 PolarHBondContact O-N 3.37Å
2885N33.2Very low34.9Very low162.4 Ų162.4143.1 Ų143.187%0.86878%0.779SS**  trans-92.4111.1178.7-77.2-65.5000111.1
2886S34.6Very low36.4Very low105.4 Ų105.4140.5 Ų140.574%0.73776%0.764SS**  trans-149.2106.2159.5-171.50000114.3D2884 V2888D2884-S2886 PolarHBondContact O-N 3.37Å; S2886-V2888 PolarHBondContact O-N 3.17Å
2887L31.6Very low38.2Very low170.2 Ų170.2137.8 Ų137.889%0.89175%0.75SS**  trans4.189.2155.4-158.380.9000117.1
2888V35.7Very low40.2Very low129.8 Ų129.8134.1 Ų134.179%0.78773%0.728SS**  trans-130.6130.5154.3-177.60000110.1S2886S2886-V2888 PolarHBondContact O-N 3.17Å
2889G31.8Very low42.3Very low61.8 Ų61.8134.5 Ų134.564%0.63773%0.726SS**  trans16.5124169.900000117.5S2891G2889-S2891 VanDerWaalsContact C-N 3.27Å; G2889-S2891 PolarHBondContact O-N 3.14Å
2890K29.6Very low44.6Very low221.2 Ų221.2133.2 Ų133.296%0.96272%0.719SS**  trans-67.193.2159.4-77.6-174.4173.8-173.70109.9
2891S32.1Very low46.9Very low103.6 Ų103.6127 Ų12772%0.72469%0.685SS**  trans-88.8132.1153.829.60000108.1G2889 S2893G2889-S2891 VanDerWaalsContact C-N 3.27Å; G2889-S2891 PolarHBondContact O-N 3.14Å; S2891-S2893 VanDerWaalsContact C-N 3.31Å; S2891-S2893 PolarHBondContact O-N 3.16Å
2892E34.3Very low49.4Very low194 Ų194122.6 Ų122.691%0.90766%0.663SS**  trans-70.292.8175.1-68.3175.9140.800109.5I2894E2892-I2894 PolarHBondContact O-N 3.22Å
2893S41.7Very low51.8Low105.4 Ų105.4117.6 Ų117.674%0.73764%0.639SS**  trans-68.2110.8169.452.50000108.8S2891 E2895S2891-S2893 VanDerWaalsContact C-N 3.31Å; S2891-S2893 PolarHBondContact O-N 3.16Å; S2893-E2895 VanDerWaalsContact C-N 3.34Å; S2893-E2895 PolarHBondContact O-N 3.26Å
2894I50.5Low54.3Low143.8 Ų143.8115.6 Ų115.674%0.73763%0.631SS**  trans-67.898.5176.1-53.8177.1000108E2892 M2896E2892-I2894 PolarHBondContact O-N 3.22Å; I2894-M2896 HydrophobicContact CG2-CE 4.25Å; I2894-M2896 HydrophobicContact CG2-CG 3.87Å; I2894-M2896 PolarHBondContact O-N 3Å
2895E55.2Low56.5Low158 Ų158114.8 Ų114.874%0.73862%0.616SS**  trans-73.773.4177.6-166.3-171.6160.300110S2893 K2897S2893-E2895 VanDerWaalsContact C-N 3.34Å; S2893-E2895 PolarHBondContact O-N 3.26Å; E2895-K2897 WeakPolarHBondContact OE1-CE 3.31Å; E2895-K2897 IonicContact OE1-NZ 2.97Å; E2895-K2897 PolarHBondContact OE1-NZ 3.49Å; E2895-K2897 IonicContact OE2-NZ 2.66Å
2896M62.9Low59Low73.8 Ų73.8109.1 Ų109.136%0.36459%0.585SS.*  trans-67.9138.9171.3-68.1-173.9144.100109.9S2868 L2870 I2894 F2901S2868-M2896 PolarHBondContact OG-SD 3.09Å; S2868-M2896 VanDerWaalsContact OG-SD 3.37Å; L2870-M2896 HydrophobicContact CD1-CB 4.26Å; L2870-M2896 WeakPolarHBondContact CD2-O 3.29Å; I2894-M2896 HydrophobicContact CG2-CE 4.25Å; I2894-M2896 HydrophobicContact CG2-CG 3.87Å; I2894-M2896 PolarHBondContact O-N 3Å; M2896-F2901 HydrophobicContact CB-CE2 4.38Å; M2896-F2901 HydrophobicContact CE-CE1 4.5Å; M2896-F2901 HydrophobicContact CE-CE2 3.99Å; M2896-F2901 HydrophobicContact CE-CZ 3.69Å; M2896-F2901 HydrophobicContact SD-CE2 4.26Å; M2896-F2901 HydrophobicContact SD-CZ 4.09Å
2897K69.7Low61.5Low109.4 Ų109.4105 Ų10548%0.47656%0.556SS.*  trans-105.9157.8176.5-63.2-174.2178.8-173.40110.6L2870 E2895 E2899 D2900L2870-K2897 WeakPolarHBondContact CD1-O 3.32Å; E2895-K2897 WeakPolarHBondContact OE1-CE 3.31Å; E2895-K2897 IonicContact OE1-NZ 2.97Å; E2895-K2897 PolarHBondContact OE1-NZ 3.49Å; E2895-K2897 IonicContact OE2-NZ 2.66Å; K2897-E2899 HydrophobicContact CB-CB 4.38Å; K2897-E2899 VanDerWaalsContact CB-OE2 3.3Å; K2897-E2899 WeakPolarHBondContact CB-OE2 3.36Å; K2897-E2899 PolarHBondContact O-N 3.03Å; K2897-E2899 VanDerWaalsContact O-N 3.14Å; K2897-D2900 PolarHBondContact N-OD2 3.1Å; K2897-D2900 WeakPolarHBondContact O-CB 3.16Å; K2897-D2900 PolarHBondContact O-N 2.99Å; K2897-D2900 VanDerWaalsContact O-N 3.08Å
2898M70.7Confident64.1Low77.6 Ų77.6101.2 Ų101.238%0.38254%0.537SS..G310 helixtrans-60.4-28.6176.7-167161.8-174.700112Y2865 D2900 F2901 I2938 T3681Y2865-M2898 HydrophobicContact CE2-CE 4.33Å; Y2865-M2898 HydrophobicContact CE2-SD 3.6Å; Y2865-M2898 WeakPolarHBondContact OH-CE 3.34Å; M2898-D2900 VanDerWaalsContact C-N 3.32Å; M2898-D2900 PolarHBondContact O-N 3.11Å; M2898-F2901 PolarHBondContact O-N 3.03Å; M2898-I2938 HydrophobicContact CE-CG2 4.11Å; M2898-T3681 HydrophobicContact CE-CG2 4.44Å
2899E74.7Confident66.4Low138.6 Ų138.697.7 Ų97.765%0.64851%0.511SS*.G310 helixtrans-63.9-33.4178-63.2161.5-176.800112.7K2897 F2901 T2902K2897-E2899 HydrophobicContact CB-CB 4.38Å; K2897-E2899 VanDerWaalsContact CB-OE2 3.3Å; K2897-E2899 WeakPolarHBondContact CB-OE2 3.36Å; K2897-E2899 PolarHBondContact O-N 3.03Å; K2897-E2899 VanDerWaalsContact O-N 3.14Å; E2899-F2901 PolarHBondContact O-N 3.21Å; E2899-F2901 VanDerWaalsContact O-N 3.13Å; E2899-T2902 WeakPolarHBondContact O-CB 3.36Å; E2899-T2902 PolarHBondContact O-N 2.98Å; E2899-T2902 VanDerWaalsContact O-N 3.11Å; E2899-T2902 PolarHBondContact O-OG1 3.07Å
2900D78.2Confident69.1Low110.4 Ų110.494.8 Ų94.859%0.5948%0.481SS*.G310 helixtrans-64.3-25.2-178.1-60.4-36.8000112.7K2897 M2898 T2902K2897-D2900 PolarHBondContact N-OD2 3.1Å; K2897-D2900 WeakPolarHBondContact O-CB 3.16Å; K2897-D2900 PolarHBondContact O-N 2.99Å; K2897-D2900 VanDerWaalsContact O-N 3.08Å; M2898-D2900 VanDerWaalsContact C-N 3.32Å; M2898-D2900 PolarHBondContact O-N 3.11Å; D2900-T2902 VanDerWaalsContact C-N 3.31Å
2901F81.7Confident71.8Confident20.8 Ų20.885.9 Ų85.99%0.09144%0.444CS..G310 helixtrans-86.1-8.9176.5-66-89.7000113.1I2861 L2864 Y2865 L2870 M2896 M2898 E2899 S2903 I2938I2861-F2901 HydrophobicContact CG2-CD1 4.09Å; L2864-F2901 HydrophobicContact CB-CE1 4.18Å; L2864-F2901 HydrophobicContact CD2-CE1 4.06Å; L2864-F2901 HydrophobicContact CD2-CZ 4.36Å; L2864-F2901 HydrophobicContact CG-CE1 3.96Å; L2864-F2901 HydrophobicContact CG-CZ 4.11Å; Y2865-F2901 HydrophobicContact CD2-CD1 4.34Å; Y2865-F2901 AromaticContact CD2-CD2 3.93Å; Y2865-F2901 HydrophobicContact CD2-CD2 4Å; Y2865-F2901 HydrophobicContact CD2-CE1 4.43Å; Y2865-F2901 AromaticContact CD2-CE2 3.94Å; Y2865-F2901 HydrophobicContact CD2-CE2 4.1Å; Y2865-F2901 HydrophobicContact CD2-CG 4.13Å; Y2865-F2901 HydrophobicContact CD2-CZ 4.31Å; L2870-F2901 HydrophobicContact CD1-CD2 4.3Å; L2870-F2901 HydrophobicContact CD1-CE2 3.84Å; M2896-F2901 HydrophobicContact CB-CE2 4.38Å; M2896-F2901 HydrophobicContact CE-CE1 4.5Å; M2896-F2901 HydrophobicContact CE-CE2 3.99Å; M2896-F2901 HydrophobicContact CE-CZ 3.69Å; M2896-F2901 HydrophobicContact SD-CE2 4.26Å; M2896-F2901 HydrophobicContact SD-CZ 4.09Å; M2898-F2901 PolarHBondContact O-N 3.03Å; E2899-F2901 PolarHBondContact O-N 3.21Å; E2899-F2901 VanDerWaalsContact O-N 3.13Å; F2901-S2903 PolarHBondContact O-N 2.92Å; F2901-I2938 CarbonylContact C-O 3.39Å; F2901-I2938 HydrophobicContact CB-CB 4.28Å; F2901-I2938 HydrophobicContact CB-CD1 4.41Å; F2901-I2938 HydrophobicContact CD1-CD1 4.29Å
2902T84.6Confident74.3Confident47.6 Ų47.684.6 Ų84.629%0.29243%0.434SS..  trans-82.6125.5-17668.90000112.1E2899 D2900 T2904E2899-T2902 WeakPolarHBondContact O-CB 3.36Å; E2899-T2902 PolarHBondContact O-N 2.98Å; E2899-T2902 VanDerWaalsContact O-N 3.11Å; E2899-T2902 PolarHBondContact O-OG1 3.07Å; D2900-T2902 VanDerWaalsContact C-N 3.31Å; T2902-T2904 PolarHBondContact O-N 3.06Å; T2902-T2904 VanDerWaalsContact O-N 3.13Å
2903S86.7Confident76.7Confident29.6 Ų29.677.2 Ų77.221%0.20740%0.399CS..  trans-91.2101.4178.8-179.40000110.5F2901 R2905 L2906 T2907 L2939F2901-S2903 PolarHBondContact O-N 2.92Å; S2903-R2905 VanDerWaalsContact C-N 3.27Å; S2903-R2905 PolarHBondContact O-N 3.1Å; S2903-R2905 VanDerWaalsContact O-N 3.15Å; S2903-L2906 PolarHBondContact O-N 3.13Å; S2903-L2906 VanDerWaalsContact O-N 3.17Å; S2903-L2906 WeakPolarHBondContact OG-CG 3.41Å; S2903-L2906 PolarHBondContact OG-N 3Å; S2903-T2907 VanDerWaalsContact O-CB 3.25Å; S2903-T2907 WeakPolarHBondContact O-CB 3.32Å; S2903-T2907 PolarHBondContact O-N 3.21Å; S2903-T2907 PolarHBondContact O-OG1 3Å; S2903-T2907 VanDerWaalsContact O-OG1 3.09Å; S2903-L2939 PolarHBondContact N-O 3.08Å
2904T84.8Confident78.8Confident98 Ų9872.2 Ų72.260%0.60136%0.364SS*.Hα-helixtrans-55.9-34.1174.857.10000112.5T2902 T2907 N2908T2902-T2904 PolarHBondContact O-N 3.06Å; T2902-T2904 VanDerWaalsContact O-N 3.13Å; T2904-T2907 WeakPolarHBondContact O-CB 3.34Å; T2904-N2908 WeakPolarHBondContact O-CB 3.37Å; T2904-N2908 VanDerWaalsContact O-CG 3.26Å; T2904-N2908 PolarHBondContact O-N 3.02Å; T2904-N2908 PolarHBondContact O-ND2 3.12Å; T2904-N2908 VanDerWaalsContact O-ND2 3.14Å; T2904-N2908 PolarHBondContact O-OD1 3.27Å
2905R83.2Confident80.4Confident150.2 Ų150.268.5 Ų68.557%0.56734%0.343SS*.Hα-helixtrans-73.3-46.2179.4-71.8176.6167.2-159.6-1.7112.9D2413 T2414 A2417 I2418 S2903 T2907 N2908 K2909D2413-R2905 PolarHBondContact O-NH1 3.27Å; T2414-R2905 VanDerWaalsContact C-NH1 3.34Å; T2414-R2905 VanDerWaalsContact CA-NH1 3.25Å; T2414-R2905 HydrophobicContact CG2-CB 3.74Å; T2414-R2905 HydrophobicContact CG2-CG 3.89Å; T2414-R2905 PolarHBondContact O-NH1 3.02Å; T2414-R2905 PolarHBondContact O-NH2 3.05Å; A2417-R2905 VanDerWaalsContact C-NH1 3.29Å; A2417-R2905 VanDerWaalsContact CA-NH1 3.34Å; I2418-R2905 HydrophobicContact CD1-CB 4.32Å; I2418-R2905 VanDerWaalsContact CG1-CZ 3.5Å; S2903-R2905 VanDerWaalsContact C-N 3.27Å; S2903-R2905 PolarHBondContact O-N 3.1Å; S2903-R2905 VanDerWaalsContact O-N 3.15Å; R2905-T2907 VanDerWaalsContact C-N 3.28Å; R2905-T2907 PolarHBondContact O-N 3.1Å; R2905-N2908 PolarHBondContact O-N 2.98Å; R2905-K2909 PolarHBondContact O-N 3.17Å; R2905-K2909 VanDerWaalsContact O-N 3.12Å
2906L85.3Confident81.6Confident42 Ų4263.6 Ų63.622%0.2232%0.322CS..Hα-helixtrans-66.7-39174.4-67.8173.1000110.7F2411 S2903 N2908 K2909 L2910 W2928 L2932 L2939 F2940F2411-L2906 HydrophobicContact CE2-CD2 3.83Å; F2411-L2906 HydrophobicContact CZ-CD2 4.29Å; S2903-L2906 PolarHBondContact O-N 3.13Å; S2903-L2906 VanDerWaalsContact O-N 3.17Å; S2903-L2906 WeakPolarHBondContact OG-CG 3.41Å; S2903-L2906 PolarHBondContact OG-N 3Å; L2906-N2908 PolarHBondContact O-N 3.08Å; L2906-K2909 WeakPolarHBondContact O-CB 3.4Å; L2906-K2909 PolarHBondContact O-N 3.01Å; L2906-L2910 VanDerWaalsContact O-CB 3.3Å; L2906-L2910 WeakPolarHBondContact O-CB 3.42Å; L2906-L2910 PolarHBondContact O-N 3.21Å; L2906-W2928 HydrophobicContact CD2-CZ3 4.35Å; L2906-L2932 HydrophobicContact CD1-CD2 4.1Å; L2906-L2939 HydrophobicContact CD1-CD1 4.37Å; L2906-F2940 HydrophobicContact CB-CE1 3.87Å; L2906-F2940 HydrophobicContact CB-CZ 4.22Å
2907T86.7Confident82.3Confident18.2 Ų18.263.3 Ų63.311%0.11233%0.326CS..Hα-helixtrans-55.5-50.8172.5-71.40000111.8S2903 T2904 R2905 K2909 L2910 L2911 V2944S2903-T2907 VanDerWaalsContact O-CB 3.25Å; S2903-T2907 WeakPolarHBondContact O-CB 3.32Å; S2903-T2907 PolarHBondContact O-N 3.21Å; S2903-T2907 PolarHBondContact O-OG1 3Å; S2903-T2907 VanDerWaalsContact O-OG1 3.09Å; T2904-T2907 WeakPolarHBondContact O-CB 3.34Å; R2905-T2907 VanDerWaalsContact C-N 3.28Å; R2905-T2907 PolarHBondContact O-N 3.1Å; T2907-K2909 VanDerWaalsContact C-N 3.33Å; T2907-K2909 PolarHBondContact O-N 3.06Å; T2907-L2910 PolarHBondContact O-N 3.14Å; T2907-L2911 HydrophobicContact CG2-CD1 3.94Å; T2907-L2911 HydrophobicContact CG2-CG 4.47Å; T2907-L2911 WeakPolarHBondContact O-CB 3.36Å; T2907-L2911 VanDerWaalsContact O-CG 3.32Å; T2907-L2911 WeakPolarHBondContact O-CG 3.34Å; T2907-L2911 PolarHBondContact O-N 3.1Å; T2907-V2944 HydrophobicContact CG2-CG1 4.4Å; T2907-V2944 HydrophobicContact CG2-CG2 3.57Å
2908N85.7Confident82.6Confident92 Ų9263.3 Ų63.349%0.49233%0.33SS..Hα-helixtrans-62.7-40178.4-76.8-28.4000112.4T2904 R2905 L2906 L2911 C2912T2904-N2908 WeakPolarHBondContact O-CB 3.37Å; T2904-N2908 VanDerWaalsContact O-CG 3.26Å; T2904-N2908 PolarHBondContact O-N 3.02Å; T2904-N2908 PolarHBondContact O-ND2 3.12Å; T2904-N2908 VanDerWaalsContact O-ND2 3.14Å; T2904-N2908 PolarHBondContact O-OD1 3.27Å; R2905-N2908 PolarHBondContact O-N 2.98Å; L2906-N2908 PolarHBondContact O-N 3.08Å; N2908-L2911 PolarHBondContact O-N 3.42Å; N2908-C2912 WeakPolarHBondContact O-CB 3.15Å; N2908-C2912 PolarHBondContact O-N 3.13Å; N2908-C2912 PolarHBondContact O-SG 3.1Å
2909K84.7Confident82.8Confident56.2 Ų56.260.1 Ų60.124%0.24432%0.316CS..Hα-helixtrans-63.9-44.6174.9-94.2-171.1169.4-150.30112.3E2407 E2410 F2411 F2790 R2905 L2906 T2907 L2911 C2912 Q2913 W2928E2407-K2909 PolarHBondContact O-NZ 3.47Å; E2410-K2909 IonicContact OE2-NZ 3.95Å; E2410-K2909 PolarHBondContact OE2-NZ 2.92Å; F2411-K2909 HydrophobicContact CB-CD 4.48Å; F2411-K2909 HydrophobicContact CD2-CD 4.17Å; F2790-K2909 HydrophobicContact CD1-CD 3.81Å; F2790-K2909 HydrophobicContact CE1-CD 3.54Å; F2790-K2909 VanDerWaalsContact CE1-NZ 3.29Å; F2790-K2909 HydrophobicContact CZ-CD 4.17Å; F2790-K2909 PolarHBondContact O-NZ 2.72Å; R2905-K2909 PolarHBondContact O-N 3.17Å; R2905-K2909 VanDerWaalsContact O-N 3.12Å; L2906-K2909 WeakPolarHBondContact O-CB 3.4Å; L2906-K2909 PolarHBondContact O-N 3.01Å; T2907-K2909 VanDerWaalsContact C-N 3.33Å; T2907-K2909 PolarHBondContact O-N 3.06Å; K2909-L2911 VanDerWaalsContact C-N 3.32Å; K2909-L2911 PolarHBondContact O-N 3.41Å; K2909-C2912 WeakPolarHBondContact O-CB 3.42Å; K2909-C2912 PolarHBondContact O-N 3.05Å; K2909-Q2913 WeakPolarHBondContact O-CG 3.41Å; K2909-Q2913 PolarHBondContact O-N 3.14Å; K2909-Q2913 VanDerWaalsContact O-N 3.11Å; K2909-W2928 HydrophobicContact CB-CH2 4.08Å; K2909-W2928 HydrophobicContact CB-CZ2 4.29Å; K2909-W2928 HydrophobicContact CD-CH2 4.1Å; K2909-W2928 HydrophobicContact CD-CZ2 3.77Å; K2909-W2928 HydrophobicContact CG-CH2 4.15Å; K2909-W2928 HydrophobicContact CG-CZ2 3.87Å
2910L87.4Confident82.9Confident0 Ų053.8 Ų53.80%029%0.287CS..Hα-helixtrans-63.1-43.5178.7-179.658.6000110.8L2906 T2907 C2912 Q2913 I2914 W2928 C2929 F2940 V2944 L2948L2906-L2910 VanDerWaalsContact O-CB 3.3Å; L2906-L2910 WeakPolarHBondContact O-CB 3.42Å; L2906-L2910 PolarHBondContact O-N 3.21Å; T2907-L2910 PolarHBondContact O-N 3.14Å; L2910-C2912 VanDerWaalsContact C-N 3.34Å; L2910-C2912 PolarHBondContact O-N 3.1Å; L2910-Q2913 PolarHBondContact O-N 3.17Å; L2910-Q2913 VanDerWaalsContact O-N 3.12Å; L2910-I2914 HydrophobicContact CD1-CD1 3.86Å; L2910-I2914 HydrophobicContact CD1-CG1 4.2Å; L2910-I2914 HydrophobicContact CD2-CD1 4.46Å; L2910-I2914 HydrophobicContact CG-CD1 3.69Å; L2910-I2914 HydrophobicContact CG-CG1 4.44Å; L2910-I2914 WeakPolarHBondContact O-CB 3.38Å; L2910-I2914 WeakPolarHBondContact O-CD1 3.29Å; L2910-I2914 VanDerWaalsContact O-CG1 3.27Å; L2910-I2914 WeakPolarHBondContact O-CG1 3.43Å; L2910-I2914 PolarHBondContact O-N 3.09Å; L2910-W2928 HydrophobicContact CB-CH2 3.96Å; L2910-W2928 HydrophobicContact CB-CZ3 4.24Å; L2910-W2928 HydrophobicContact CD1-CH2 4.38Å; L2910-W2928 HydrophobicContact CD1-CZ3 4.36Å; L2910-C2929 HydrophobicContact CD1-CB 3.62Å; L2910-F2940 HydrophobicContact CB-CD1 4.47Å; L2910-F2940 HydrophobicContact CB-CE1 3.98Å; L2910-F2940 HydrophobicContact CD2-CD1 3.55Å; L2910-F2940 HydrophobicContact CD2-CD2 4.45Å; L2910-F2940 HydrophobicContact CD2-CE1 3.44Å; L2910-F2940 VanDerWaalsContact CD2-CE1 3.44Å; L2910-F2940 HydrophobicContact CD2-CE2 4.41Å; L2910-F2940 HydrophobicContact CD2-CG 4.1Å; L2910-F2940 HydrophobicContact CD2-CZ 3.92Å; L2910-F2940 HydrophobicContact CG-CE1 4.34Å; L2910-V2944 HydrophobicContact CD2-CG1 3.81Å; L2910-V2944 HydrophobicContact CG-CG1 4.33Å; L2910-L2948 HydrophobicContact CD1-CD1 4.35Å; L2910-L2948 HydrophobicContact CD1-CD2 4.46Å; L2910-L2948 HydrophobicContact CD2-CD2 4.43Å
2911L87.5Confident82.6Confident35.6 Ų35.650.5 Ų50.519%0.18628%0.275CS..Hα-helixtrans-62.1-41.5174.2-71.8171.4000112.4T2907 N2908 K2909 Q2913 I2914 H2915 V2944 Q2947T2907-L2911 HydrophobicContact CG2-CD1 3.94Å; T2907-L2911 HydrophobicContact CG2-CG 4.47Å; T2907-L2911 WeakPolarHBondContact O-CB 3.36Å; T2907-L2911 VanDerWaalsContact O-CG 3.32Å; T2907-L2911 WeakPolarHBondContact O-CG 3.34Å; T2907-L2911 PolarHBondContact O-N 3.1Å; N2908-L2911 PolarHBondContact O-N 3.42Å; K2909-L2911 VanDerWaalsContact C-N 3.32Å; K2909-L2911 PolarHBondContact O-N 3.41Å; L2911-Q2913 VanDerWaalsContact C-N 3.29Å; L2911-Q2913 PolarHBondContact O-N 3.11Å; L2911-I2914 PolarHBondContact O-N 3.06Å; L2911-H2915 VanDerWaalsContact O-CB 3.27Å; L2911-H2915 WeakPolarHBondContact O-CB 3.3Å; L2911-H2915 PolarHBondContact O-CD2 3.03Å; L2911-H2915 VanDerWaalsContact O-CG 3.24Å; L2911-H2915 PolarHBondContact O-N 3.07Å; L2911-H2915 PolarHBondContact O-ND1 3.4Å; L2911-V2944 HydrophobicContact CD1-CG2 4.37Å; L2911-V2944 HydrophobicContact CD2-CG1 4.24Å; L2911-V2944 HydrophobicContact CD2-CG2 4.39Å; L2911-V2944 HydrophobicContact CG-CG1 4.3Å; L2911-V2944 HydrophobicContact CG-CG2 4.42Å; L2911-Q2947 VanDerWaalsContact CD2-OE1 3.3Å
2912C84.9Confident82.1Confident76.4 Ų76.450.2 Ų50.252%0.51628%0.275SS..Hα-helixtrans-59.4-43174.4-72.60000112.2N2908 K2909 L2910 H2915 D2916N2908-C2912 WeakPolarHBondContact O-CB 3.15Å; N2908-C2912 PolarHBondContact O-N 3.13Å; N2908-C2912 PolarHBondContact O-SG 3.1Å; K2909-C2912 WeakPolarHBondContact O-CB 3.42Å; K2909-C2912 PolarHBondContact O-N 3.05Å; L2910-C2912 VanDerWaalsContact C-N 3.34Å; L2910-C2912 PolarHBondContact O-N 3.1Å; C2912-H2915 CarbonylContact O-C 3.55Å; C2912-H2915 PolarHBondContact O-N 2.94Å; C2912-H2915 VanDerWaalsContact O-N 3.13Å; C2912-D2916 PolarHBondContact O-N 3.17Å; C2912-D2916 VanDerWaalsContact O-N 3.1Å
2913Q84.1Confident81.5Confident37.6 Ų37.650.3 Ų50.318%0.17629%0.286CS..Hα-helixtrans-68.8-43.6178.6-68.2-85.1-30.400112.1E2407 T2791 K2909 L2910 L2911 H2915 D2916 L2925 P2926 W2928 C2929E2407-Q2913 PolarHBondContact OE2-NE2 2.86Å; E2407-Q2913 VanDerWaalsContact OE2-NE2 3.14Å; T2791-Q2913 VanDerWaalsContact CG2-OE1 3.27Å; T2791-Q2913 PolarHBondContact OG1-NE2 2.91Å; T2791-Q2913 VanDerWaalsContact OG1-NE2 3.08Å; K2909-Q2913 WeakPolarHBondContact O-CG 3.41Å; K2909-Q2913 PolarHBondContact O-N 3.14Å; K2909-Q2913 VanDerWaalsContact O-N 3.11Å; L2910-Q2913 PolarHBondContact O-N 3.17Å; L2910-Q2913 VanDerWaalsContact O-N 3.12Å; L2911-Q2913 VanDerWaalsContact C-N 3.29Å; L2911-Q2913 PolarHBondContact O-N 3.11Å; Q2913-H2915 PolarHBondContact O-N 3.07Å; Q2913-D2916 PolarHBondContact O-N 3.05Å; Q2913-D2916 VanDerWaalsContact O-N 3.15Å; Q2913-L2925 HydrophobicContact CB-CD2 3.96Å; Q2913-L2925 WeakPolarHBondContact O-CD2 3.25Å; Q2913-P2926 VanDerWaalsContact OE1-CD 3.32Å; Q2913-W2928 HydrophobicContact CG-CZ2 4.29Å; Q2913-W2928 VanDerWaalsContact OE1-CE2 3.3Å; Q2913-W2928 VanDerWaalsContact OE1-NE1 3.16Å; Q2913-C2929 PolarHBondContact OE1-SG 3.12Å
2914I85.5Confident80.8Confident0 Ų049.4 Ų49.40%028%0.281CS..Hα-helixtrans-63.8-23.1175-64.9163.6000111.9L2910 L2911 L2920 L2948 A2951 W2962L2910-I2914 HydrophobicContact CD1-CD1 3.86Å; L2910-I2914 HydrophobicContact CD1-CG1 4.2Å; L2910-I2914 HydrophobicContact CD2-CD1 4.46Å; L2910-I2914 HydrophobicContact CG-CD1 3.69Å; L2910-I2914 HydrophobicContact CG-CG1 4.44Å; L2910-I2914 WeakPolarHBondContact O-CB 3.38Å; L2910-I2914 WeakPolarHBondContact O-CD1 3.29Å; L2910-I2914 VanDerWaalsContact O-CG1 3.27Å; L2910-I2914 WeakPolarHBondContact O-CG1 3.43Å; L2910-I2914 PolarHBondContact O-N 3.09Å; L2911-I2914 PolarHBondContact O-N 3.06Å; I2914-L2920 HydrophobicContact CG2-CD1 4.33Å; I2914-L2948 HydrophobicContact CD1-CB 3.72Å; I2914-L2948 HydrophobicContact CD1-CD1 3.75Å; I2914-L2948 HydrophobicContact CD1-CG 4.29Å; I2914-L2948 HydrophobicContact CG1-CD1 3.82Å; I2914-A2951 HydrophobicContact CG2-CB 3.74Å; I2914-W2962 HydrophobicContact CG2-CH2 3.5Å; I2914-W2962 VanDerWaalsContact CG2-CH2 3.47Å; I2914-W2962 HydrophobicContact CG2-CZ2 4.35Å; I2914-W2962 HydrophobicContact CG2-CZ3 3.8Å
2915H84.3Confident80.5Confident66.8 Ų66.845.8 Ų45.831%0.30926%0.257SS..THydrogen-bonded Turntrans-98.80.4-179-64-7.3000114.2L2911 C2912 Q2913 P2917 W2962 R2966L2911-H2915 VanDerWaalsContact O-CB 3.27Å; L2911-H2915 WeakPolarHBondContact O-CB 3.3Å; L2911-H2915 PolarHBondContact O-CD2 3.03Å; L2911-H2915 VanDerWaalsContact O-CG 3.24Å; L2911-H2915 PolarHBondContact O-N 3.07Å; L2911-H2915 PolarHBondContact O-ND1 3.4Å; C2912-H2915 CarbonylContact O-C 3.55Å; C2912-H2915 PolarHBondContact O-N 2.94Å; C2912-H2915 VanDerWaalsContact O-N 3.13Å; Q2913-H2915 PolarHBondContact O-N 3.07Å; H2915-P2917 VanDerWaalsContact O-CD 3.25Å; H2915-P2917 WeakPolarHBondContact O-CD 3.34Å; H2915-W2962 AromaticContact CE1-CH2 3.76Å; H2915-W2962 AromaticContact ND1-CH2 3.9Å; H2915-R2966 VanDerWaalsContact CE1-CZ 3.44Å; H2915-R2966 PolarHBondContact CE1-NH1 3.08Å; H2915-R2966 PolarHBondContact CE1-NH2 3.09Å; H2915-R2966 PolarHBondContact NE2-NH1 3.33Å; H2915-R2966 VanDerWaalsContact NE2-NH1 3.15Å
2916D81Confident80.1Confident54.6 Ų54.640 Ų4029%0.29224%0.239SC..  trans-76.6115.2164179.78.8000109.8C2912 Q2913 L2918 A2919 L2920 L2999C2912-D2916 PolarHBondContact O-N 3.17Å; C2912-D2916 VanDerWaalsContact O-N 3.1Å; Q2913-D2916 PolarHBondContact O-N 3.05Å; Q2913-D2916 VanDerWaalsContact O-N 3.15Å; D2916-L2918 PolarHBondContact O-N 2.94Å; D2916-L2918 WeakPolarHBondContact OD1-CB 3.33Å; D2916-L2918 PolarHBondContact OD1-N 2.96Å; D2916-L2918 VanDerWaalsContact OD1-N 3.09Å; D2916-L2918 WeakPolarHBondContact OD2-CB 3.5Å; D2916-L2918 PolarHBondContact OD2-N 2.97Å; D2916-A2919 HydrophobicContact CB-CB 4.13Å; D2916-A2919 PolarHBondContact O-N 3.04Å; D2916-A2919 VanDerWaalsContact OD2-CB 3.27Å; D2916-A2919 WeakPolarHBondContact OD2-CB 3.29Å; D2916-A2919 PolarHBondContact OD2-N 3.31Å; D2916-L2920 WeakPolarHBondContact O-CB 3.3Å; D2916-L2920 PolarHBondContact O-N 3.08Å; D2916-L2920 VanDerWaalsContact O-N 3.14Å; D2916-L2999 HydrophobicContact CB-CD2 4.15Å
2917P76.3Confident79.4Confident67.4 Ų67.441.6 Ų41.644%0.43825%0.248SC..Hα-helixtrans-62.8-26.9178.3-11.922.3000113.4H2915 A2921 L2963 L2999H2915-P2917 VanDerWaalsContact O-CD 3.25Å; H2915-P2917 WeakPolarHBondContact O-CD 3.34Å; P2917-A2921 WeakPolarHBondContact O-CB 3.37Å; P2917-A2921 PolarHBondContact O-N 3.21Å; P2917-L2963 HydrophobicContact CB-CD1 3.97Å; P2917-L2963 HydrophobicContact CG-CD1 4.28Å; P2917-L2999 HydrophobicContact CG-CD1 4.15Å
2918L75.7Confident79.1Confident109 Ų10941.4 Ų41.457%0.57125%0.245SC*.Hα-helixtrans-76.5-52.8-178.3-175.763.4000111.2F2693 D2916 L2920 A2921 S2922F2693-L2918 HydrophobicContact CE2-CD2 4.38Å; D2916-L2918 PolarHBondContact O-N 2.94Å; D2916-L2918 WeakPolarHBondContact OD1-CB 3.33Å; D2916-L2918 PolarHBondContact OD1-N 2.96Å; D2916-L2918 VanDerWaalsContact OD1-N 3.09Å; D2916-L2918 WeakPolarHBondContact OD2-CB 3.5Å; D2916-L2918 PolarHBondContact OD2-N 2.97Å; L2918-L2920 VanDerWaalsContact C-N 3.31Å; L2918-L2920 PolarHBondContact O-N 3.2Å; L2918-A2921 PolarHBondContact O-N 3.23Å; L2918-S2922 VanDerWaalsContact O-CB 3.24Å; L2918-S2922 WeakPolarHBondContact O-CB 3.38Å; L2918-S2922 PolarHBondContact O-N 3.07Å; L2918-S2922 VanDerWaalsContact O-N 3.08Å; L2918-S2922 PolarHBondContact O-OG 3.16Å
2919A75.3Confident79Confident10.8 Ų10.837.1 Ų37.19%0.08922%0.222CC..Hα-helixtrans-58.3-43.317600000111.4D2916 S2922 G2923 A2924 L2925D2916-A2919 HydrophobicContact CB-CB 4.13Å; D2916-A2919 PolarHBondContact O-N 3.04Å; D2916-A2919 VanDerWaalsContact OD2-CB 3.27Å; D2916-A2919 WeakPolarHBondContact OD2-CB 3.29Å; D2916-A2919 PolarHBondContact OD2-N 3.31Å; A2919-S2922 PolarHBondContact O-OG 2.91Å; A2919-S2922 VanDerWaalsContact O-OG 3.12Å; A2919-G2923 CarbonylContact O-C 3.6Å; A2919-G2923 PolarHBondContact O-N 3.07Å; A2919-G2923 VanDerWaalsContact O-N 3.13Å; A2919-A2924 PolarHBondContact O-N 3.08Å; A2919-L2925 HydrophobicContact CB-CD2 4.12Å
2920L77.2Confident78.8Confident7.2 Ų7.236.9 Ų36.94%0.03822%0.224CC..Hα-helixtrans-71.1-47.1-179.2-16775.4000113I2914 D2916 L2918 S2922 G2923 L2925 A2951 C2952 A2959 W2962 L2963I2914-L2920 HydrophobicContact CG2-CD1 4.33Å; D2916-L2920 WeakPolarHBondContact O-CB 3.3Å; D2916-L2920 PolarHBondContact O-N 3.08Å; D2916-L2920 VanDerWaalsContact O-N 3.14Å; L2918-L2920 VanDerWaalsContact C-N 3.31Å; L2918-L2920 PolarHBondContact O-N 3.2Å; L2920-S2922 VanDerWaalsContact C-N 3.31Å; L2920-S2922 PolarHBondContact O-N 3.14Å; L2920-G2923 PolarHBondContact O-N 3.29Å; L2920-G2923 VanDerWaalsContact O-N 3.13Å; L2920-L2925 HydrophobicContact CD1-CD1 3.95Å; L2920-L2925 HydrophobicContact CD1-CG 4.49Å; L2920-A2951 HydrophobicContact CD1-CB 3.71Å; L2920-A2951 HydrophobicContact CD2-CB 3.93Å; L2920-A2951 HydrophobicContact CG-CB 4.44Å; L2920-C2952 VanDerWaalsContact CD1-SG 3.51Å; L2920-C2952 WeakPolarHBondContact CD1-SG 3.3Å; L2920-A2959 HydrophobicContact CD2-CB 3.93Å; L2920-A2959 HydrophobicContact CG-CB 4.01Å; L2920-W2962 HydrophobicContact CD2-CE3 4.17Å; L2920-W2962 HydrophobicContact CD2-CZ3 4.25Å; L2920-L2963 HydrophobicContact CB-CD1 4.42Å; L2920-L2963 HydrophobicContact CD2-CD1 3.72Å; L2920-L2963 HydrophobicContact CD2-CD2 4.07Å; L2920-L2963 HydrophobicContact CD2-CG 3.74Å
2921A71.5Confident78.2Confident40 Ų4038.4 Ų38.433%0.33123%0.234SC..Hα-helixtrans-72.6-23.5-178.600000113.2P2917 L2918 P2956P2917-A2921 WeakPolarHBondContact O-CB 3.37Å; P2917-A2921 PolarHBondContact O-N 3.21Å; L2918-A2921 PolarHBondContact O-N 3.23Å; A2921-P2956 WeakPolarHBondContact O-CB 3.38Å
2922S71.5Confident77.8Confident14.2 Ų14.236.9 Ų36.910%0.09923%0.226CC..Hα-helixtrans-83.4-14.5171.563.40000113.6T2691 L2918 A2919 L2920 A2924T2691-S2922 WeakPolarHBondContact CB-O 3.38Å; T2691-S2922 WeakPolarHBondContact CG2-O 3.36Å; T2691-S2922 WeakPolarHBondContact OG1-CA 3.18Å; T2691-S2922 PolarHBondContact OG1-O 3.13Å; L2918-S2922 VanDerWaalsContact O-CB 3.24Å; L2918-S2922 WeakPolarHBondContact O-CB 3.38Å; L2918-S2922 PolarHBondContact O-N 3.07Å; L2918-S2922 VanDerWaalsContact O-N 3.08Å; L2918-S2922 PolarHBondContact O-OG 3.16Å; A2919-S2922 PolarHBondContact O-OG 2.91Å; A2919-S2922 VanDerWaalsContact O-OG 3.12Å; L2920-S2922 VanDerWaalsContact C-N 3.31Å; L2920-S2922 PolarHBondContact O-N 3.14Å; S2922-A2924 VanDerWaalsContact C-N 3.31Å; S2922-A2924 PolarHBondContact O-N 3Å; S2922-A2924 VanDerWaalsContact OG-CB 3.27Å; S2922-A2924 WeakPolarHBondContact OG-CB 3.4Å; S2922-A2924 PolarHBondContact OG-N 2.73Å
2923G72.6Confident77.8Confident51 Ų5133.6 Ų33.653%0.52620%0.204SC..THydrogen-bonded Turntrans71.314-172.500000113.9A2919 L2920 L2925A2919-G2923 CarbonylContact O-C 3.6Å; A2919-G2923 PolarHBondContact O-N 3.07Å; A2919-G2923 VanDerWaalsContact O-N 3.13Å; L2920-G2923 PolarHBondContact O-N 3.29Å; L2920-G2923 VanDerWaalsContact O-N 3.13Å; G2923-L2925 VanDerWaalsContact C-N 3.31Å; G2923-L2925 PolarHBondContact O-N 3Å
2924A72.5Confident77.4Confident10.4 Ų10.435.6 Ų35.69%0.08621%0.213CC..  trans-95.448.4-176.200000111.9F2693 A2919 S2922F2693-A2924 HydrophobicContact CB-CB 4.28Å; F2693-A2924 HydrophobicContact CD1-CB 3.54Å; F2693-A2924 VanDerWaalsContact CD1-CB 3.44Å; F2693-A2924 HydrophobicContact CE1-CB 3.8Å; A2919-A2924 PolarHBondContact O-N 3.08Å; S2922-A2924 VanDerWaalsContact C-N 3.31Å; S2922-A2924 PolarHBondContact O-N 3Å; S2922-A2924 VanDerWaalsContact OG-CB 3.27Å; S2922-A2924 WeakPolarHBondContact OG-CB 3.4Å; S2922-A2924 PolarHBondContact OG-N 2.73Å
2925L77.2Confident76.8Confident21.4 Ų21.439.3 Ų39.311%0.11223%0.227CC..  trans-75.1138.7171.1-76.3171.1000109.9Q2913 A2919 L2920 G2923 N2927 L2948 C2952Q2913-L2925 HydrophobicContact CB-CD2 3.96Å; Q2913-L2925 WeakPolarHBondContact O-CD2 3.25Å; A2919-L2925 HydrophobicContact CB-CD2 4.12Å; L2920-L2925 HydrophobicContact CD1-CD1 3.95Å; L2920-L2925 HydrophobicContact CD1-CG 4.49Å; G2923-L2925 VanDerWaalsContact C-N 3.31Å; G2923-L2925 PolarHBondContact O-N 3Å; L2925-N2927 PolarHBondContact O-N 3.36Å; L2925-L2948 HydrophobicContact CD1-CD1 4.37Å; L2925-C2952 WeakPolarHBondContact CD1-SG 3.32Å
2926P76.1Confident76.4Confident29.2 Ų29.236.4 Ų36.419%0.1921%0.214CC..  trans-55.4139.6176.4-2836000112.9Q2913 W2928 C2929Q2913-P2926 VanDerWaalsContact OE1-CD 3.32Å; P2926-W2928 VanDerWaalsContact C-N 3.27Å; P2926-W2928 VanDerWaalsContact CB-CD1 3.45Å; P2926-W2928 HydrophobicContact CB-CG 4.44Å; P2926-W2928 PolarHBondContact O-N 3.07Å; P2926-W2928 VanDerWaalsContact O-N 3.14Å; P2926-C2929 VanDerWaalsContact O-CB 3.24Å; P2926-C2929 WeakPolarHBondContact O-CB 3.31Å; P2926-C2929 PolarHBondContact O-N 3.06Å; P2926-C2929 PolarHBondContact O-SG 3.23Å; P2926-C2929 VanDerWaalsContact O-SG 3.41Å
2927N70.8Confident76.3Confident76.2 Ų76.236.6 Ų36.641%0.40722%0.215SC..THydrogen-bonded Turntrans-55.3-35-172.5-73.8-48.6000113.8E2701 L2925 C2929 L2930 S2931E2701-N2927 PolarHBondContact OE1-ND2 3.21Å; E2701-N2927 PolarHBondContact OE2-ND2 3.39Å; L2925-N2927 PolarHBondContact O-N 3.36Å; N2927-C2929 VanDerWaalsContact C-N 3.28Å; N2927-C2929 PolarHBondContact O-N 3.24Å; N2927-C2929 VanDerWaalsContact O-N 3.14Å; N2927-L2930 PolarHBondContact O-N 3.31Å; N2927-L2930 VanDerWaalsContact O-N 3.11Å; N2927-S2931 VanDerWaalsContact O-CB 3.23Å; N2927-S2931 WeakPolarHBondContact O-CB 3.34Å; N2927-S2931 PolarHBondContact O-N 3.15Å; N2927-S2931 PolarHBondContact O-OG 3.23Å
2928W80.4Confident76.6Confident13.8 Ų13.833.7 Ų33.75%0.05220%0.195CC..Hα-helixtrans-57.1-30.4175.476.4-95.7000113.4L2783 D2787 F2790 L2906 K2909 L2910 Q2913 P2926 L2930 S2931 L2932 F2940L2783-W2928 HydrophobicContact CD2-CB 3.85Å; D2787-W2928 HydrophobicContact CB-CB 4.18Å; D2787-W2928 HydrophobicContact CB-CG 4.46Å; D2787-W2928 VanDerWaalsContact OD1-CD1 3.25Å; D2787-W2928 PolarHBondContact OD1-N 3.08Å; F2790-W2928 AromaticContact CE2-CD1 3.83Å; F2790-W2928 HydrophobicContact CE2-CD2 4.3Å; F2790-W2928 HydrophobicContact CE2-CG 4Å; F2790-W2928 AromaticContact CZ-CD1 3.77Å; F2790-W2928 HydrophobicContact CZ-CD2 4.39Å; F2790-W2928 AromaticContact CZ-CE2 4Å; F2790-W2928 HydrophobicContact CZ-CG 4.29Å; F2790-W2928 AromaticContact CZ-NE1 3.59Å; L2906-W2928 HydrophobicContact CD2-CZ3 4.35Å; K2909-W2928 HydrophobicContact CB-CH2 4.08Å; K2909-W2928 HydrophobicContact CB-CZ2 4.29Å; K2909-W2928 HydrophobicContact CD-CH2 4.1Å; K2909-W2928 HydrophobicContact CD-CZ2 3.77Å; K2909-W2928 HydrophobicContact CG-CH2 4.15Å; K2909-W2928 HydrophobicContact CG-CZ2 3.87Å; L2910-W2928 HydrophobicContact CB-CH2 3.96Å; L2910-W2928 HydrophobicContact CB-CZ3 4.24Å; L2910-W2928 HydrophobicContact CD1-CH2 4.38Å; L2910-W2928 HydrophobicContact CD1-CZ3 4.36Å; Q2913-W2928 HydrophobicContact CG-CZ2 4.29Å; Q2913-W2928 VanDerWaalsContact OE1-CE2 3.3Å; Q2913-W2928 VanDerWaalsContact OE1-NE1 3.16Å; P2926-W2928 VanDerWaalsContact C-N 3.27Å; P2926-W2928 VanDerWaalsContact CB-CD1 3.45Å; P2926-W2928 HydrophobicContact CB-CG 4.44Å; P2926-W2928 PolarHBondContact O-N 3.07Å; P2926-W2928 VanDerWaalsContact O-N 3.14Å; W2928-L2930 VanDerWaalsContact C-N 3.28Å; W2928-L2930 PolarHBondContact O-N 3.04Å; W2928-S2931 PolarHBondContact O-N 2.82Å; W2928-L2932 HydrophobicContact CE3-CD2 4.19Å; W2928-L2932 HydrophobicContact CZ3-CD2 4.45Å; W2928-L2932 WeakPolarHBondContact O-CB 3.29Å; W2928-L2932 PolarHBondContact O-N 3.12Å; W2928-F2940 HydrophobicContact CZ3-CE1 4.42Å; W2928-F2940 HydrophobicContact CZ3-CZ 4.18Å
2929C82.7Confident77Confident0.4 Ų0.428.8 Ų28.80%0.00317%0.17CC..Hα-helixtrans-59.9-38.1-179.4-64.10000111.7L2910 Q2913 P2926 N2927 S2933 L2948L2910-C2929 HydrophobicContact CD1-CB 3.62Å; Q2913-C2929 PolarHBondContact OE1-SG 3.12Å; P2926-C2929 VanDerWaalsContact O-CB 3.24Å; P2926-C2929 WeakPolarHBondContact O-CB 3.31Å; P2926-C2929 PolarHBondContact O-N 3.06Å; P2926-C2929 PolarHBondContact O-SG 3.23Å; P2926-C2929 VanDerWaalsContact O-SG 3.41Å; N2927-C2929 VanDerWaalsContact C-N 3.28Å; N2927-C2929 PolarHBondContact O-N 3.24Å; N2927-C2929 VanDerWaalsContact O-N 3.14Å; C2929-S2933 WeakPolarHBondContact O-CB 3.27Å; C2929-S2933 PolarHBondContact O-OG 3.09Å; C2929-L2948 VanDerWaalsContact O-CD2 3.29Å; C2929-L2948 WeakPolarHBondContact O-CD2 3.39Å
2930L80.2Confident77.6Confident52.8 Ų52.828.3 Ų28.328%0.27617%0.166SC..Hα-helixtrans-90.4-48.3177.6-77160.7000111.3N2927 W2928 L2932 S2933 Q2934 L2948 W3676N2927-L2930 PolarHBondContact O-N 3.31Å; N2927-L2930 VanDerWaalsContact O-N 3.11Å; W2928-L2930 VanDerWaalsContact C-N 3.28Å; W2928-L2930 PolarHBondContact O-N 3.04Å; L2930-L2932 PolarHBondContact O-N 3.22Å; L2930-S2933 WeakPolarHBondContact CA-OG 3.33Å; L2930-S2933 PolarHBondContact O-N 3.08Å; L2930-S2933 PolarHBondContact O-OG 2.8Å; L2930-S2933 VanDerWaalsContact O-OG 3.09Å; L2930-Q2934 HydrophobicContact CD1-CG 3.97Å; L2930-Q2934 HydrophobicContact CG-CG 4.26Å; L2930-Q2934 VanDerWaalsContact O-CB 3.3Å; L2930-Q2934 WeakPolarHBondContact O-CB 3.41Å; L2930-Q2934 VanDerWaalsContact O-CG 3.25Å; L2930-Q2934 WeakPolarHBondContact O-CG 3.36Å; L2930-Q2934 PolarHBondContact O-N 3.1Å; L2930-Q2934 VanDerWaalsContact O-N 3.08Å; L2930-L2948 HydrophobicContact CD2-CD1 4.27Å; L2930-L2948 HydrophobicContact CD2-CD2 4.31Å; L2930-L2948 HydrophobicContact CD2-CG 4.41Å; L2930-W3676 HydrophobicContact CD1-CH2 4.19Å; L2930-W3676 HydrophobicContact CD2-CE3 4.39Å; L2930-W3676 HydrophobicContact CD2-CH2 3.28Å; L2930-W3676 HydrophobicContact CD2-CZ2 4.28Å; L2930-W3676 HydrophobicContact CD2-CZ3 3.37Å; L2930-W3676 HydrophobicContact CG-CH2 4.39Å
2931S74.1Confident78Confident30.6 Ų30.630.4 Ų30.421%0.21418%0.181CC..Hα-helixtrans-62-43.9-176-62.40000112.7N2927 W2928 R2935N2927-S2931 VanDerWaalsContact O-CB 3.23Å; N2927-S2931 WeakPolarHBondContact O-CB 3.34Å; N2927-S2931 PolarHBondContact O-N 3.15Å; N2927-S2931 PolarHBondContact O-OG 3.23Å; W2928-S2931 PolarHBondContact O-N 2.82Å; S2931-R2935 VanDerWaalsContact O-CB 3.28Å; S2931-R2935 WeakPolarHBondContact O-CB 3.2Å; S2931-R2935 VanDerWaalsContact O-CG 3.26Å; S2931-R2935 WeakPolarHBondContact O-CG 3.37Å; S2931-R2935 PolarHBondContact O-N 2.99Å; S2931-R2935 VanDerWaalsContact O-N 3.1Å
2932L80.9Confident78.7Confident5.8 Ų5.834.1 Ų34.13%0.0319%0.19CC..Hα-helixtrans-73.7-38.6-178.3-165.964.3000111.5L2782 L2783 L2858 L2906 W2928 L2930 Q2934 R2935 F2936 L2939 F2940L2782-L2932 HydrophobicContact CB-CD1 4.47Å; L2783-L2932 HydrophobicContact CD2-CD2 4.43Å; L2858-L2932 HydrophobicContact CD1-CD1 3.76Å; L2858-L2932 HydrophobicContact CD2-CD1 3.97Å; L2858-L2932 HydrophobicContact CG-CD1 4.45Å; L2906-L2932 HydrophobicContact CD1-CD2 4.1Å; W2928-L2932 HydrophobicContact CE3-CD2 4.19Å; W2928-L2932 HydrophobicContact CZ3-CD2 4.45Å; W2928-L2932 WeakPolarHBondContact O-CB 3.29Å; W2928-L2932 PolarHBondContact O-N 3.12Å; L2930-L2932 PolarHBondContact O-N 3.22Å; L2932-Q2934 PolarHBondContact O-N 3.45Å; L2932-R2935 PolarHBondContact O-N 3.06Å; L2932-F2936 HydrophobicContact CD1-CB 4.14Å; L2932-F2936 HydrophobicContact CD1-CD2 4.07Å; L2932-F2936 HydrophobicContact CD1-CE2 4.36Å; L2932-F2936 HydrophobicContact CD1-CG 4.32Å; L2932-F2936 CarbonylContact O-C 3.51Å; L2932-F2936 VanDerWaalsContact O-C 3.29Å; L2932-F2936 VanDerWaalsContact O-CA 3.3Å; L2932-F2936 WeakPolarHBondContact O-CA 3.38Å; L2932-F2936 VanDerWaalsContact O-CB 3.3Å; L2932-F2936 WeakPolarHBondContact O-CB 3.38Å; L2932-F2936 PolarHBondContact O-N 3.07Å; L2932-L2939 HydrophobicContact CD1-CD1 3.88Å; L2932-L2939 HydrophobicContact CD2-CD1 4.17Å; L2932-L2939 HydrophobicContact CG-CD1 3.95Å; L2932-F2940 HydrophobicContact CB-CE2 4.28Å; L2932-F2940 HydrophobicContact CD2-CE2 4.22Å; L2932-F2940 HydrophobicContact CD2-CZ 4.04Å; L2932-F2940 HydrophobicContact CG-CE2 4.06Å; L2932-F2940 HydrophobicContact CG-CZ 4.37Å
2933S83.2Confident79.4Confident7 Ų738.2 Ų38.25%0.04921%0.21CC..Hα-helixtrans-72.6-28.6179.461.20000113.5C2929 L2930 N2937 L2948 L3679C2929-S2933 WeakPolarHBondContact O-CB 3.27Å; C2929-S2933 PolarHBondContact O-OG 3.09Å; L2930-S2933 WeakPolarHBondContact CA-OG 3.33Å; L2930-S2933 PolarHBondContact O-N 3.08Å; L2930-S2933 PolarHBondContact O-OG 2.8Å; L2930-S2933 VanDerWaalsContact O-OG 3.09Å; S2933-N2937 WeakPolarHBondContact O-CA 3.35Å; S2933-N2937 PolarHBondContact O-N 2.53Å; S2933-L2948 VanDerWaalsContact OG-CD2 3.25Å; S2933-L2948 WeakPolarHBondContact OG-CD2 3.31Å; S2933-L3679 WeakPolarHBondContact OG-CD2 3.31Å
2934Q77.5Confident80.2Confident78 Ų7836 Ų3636%0.36419%0.187SC..Hα-helixtrans-77.8-45.3172.1-71.5175.5-2.500112.7L2930 L2932 S3399 N3402 R3675 A3678 L3679L2930-Q2934 HydrophobicContact CD1-CG 3.97Å; L2930-Q2934 HydrophobicContact CG-CG 4.26Å; L2930-Q2934 VanDerWaalsContact O-CB 3.3Å; L2930-Q2934 WeakPolarHBondContact O-CB 3.41Å; L2930-Q2934 VanDerWaalsContact O-CG 3.25Å; L2930-Q2934 WeakPolarHBondContact O-CG 3.36Å; L2930-Q2934 PolarHBondContact O-N 3.1Å; L2930-Q2934 VanDerWaalsContact O-N 3.08Å; L2932-Q2934 PolarHBondContact O-N 3.45Å; Q2934-S3399 PolarHBondContact O-OG 3.41Å; Q2934-S3399 VanDerWaalsContact O-OG 3.08Å; Q2934-N3402 PolarHBondContact OE1-ND2 3.11Å; Q2934-R3675 PolarHBondContact NE2-O 2.78Å; Q2934-A3678 HydrophobicContact CB-CB 4.12Å; Q2934-A3678 HydrophobicContact CG-CB 4.24Å; Q2934-L3679 HydrophobicContact CG-CD2 3.81Å; Q2934-L3679 HydrophobicContact CG-CG 4.31Å
2935R71.5Confident81Confident78.6 Ų78.637.3 Ų37.330%0.29719%0.19SC..Hα-helixtrans-85.9-23.4-173.8-62.9177164.1-178.31113.4G2779 K2780 A2781 L2782 K2862 S2931 L2932G2779-R2935 PolarHBondContact O-NH2 2.78Å; K2780-R2935 PolarHBondContact O-NH1 3.04Å; K2780-R2935 PolarHBondContact O-NH2 2.9Å; A2781-R2935 VanDerWaalsContact C-NH1 3.29Å; A2781-R2935 PolarHBondContact O-NH1 3.17Å; A2781-R2935 VanDerWaalsContact O-NH1 3.14Å; L2782-R2935 HydrophobicContact CD2-CB 3.93Å; L2782-R2935 HydrophobicContact CD2-CG 4.28Å; L2782-R2935 VanDerWaalsContact CD2-CZ 3.48Å; K2862-R2935 PolarHBondContact NZ-O 2.85Å; S2931-R2935 VanDerWaalsContact O-CB 3.28Å; S2931-R2935 WeakPolarHBondContact O-CB 3.2Å; S2931-R2935 VanDerWaalsContact O-CG 3.26Å; S2931-R2935 WeakPolarHBondContact O-CG 3.37Å; S2931-R2935 PolarHBondContact O-N 2.99Å; S2931-R2935 VanDerWaalsContact O-N 3.1Å; L2932-R2935 PolarHBondContact O-N 3.06Å
2936F76.2Confident81.6Confident5.2 Ų5.238.2 Ų38.22%0.02320%0.198CC..  trans-135.759.9-179.1-68.1-95.9000111.1L2782 L2858 K2862 L2932 I2938 L2939L2782-F2936 HydrophobicContact CB-CE2 4.19Å; L2782-F2936 HydrophobicContact CD1-CD2 4.07Å; L2782-F2936 HydrophobicContact CD1-CE2 3.31Å; L2782-F2936 VanDerWaalsContact CD1-CE2 3.43Å; L2782-F2936 HydrophobicContact CD1-CZ 3.63Å; L2782-F2936 HydrophobicContact CD2-CD2 3.96Å; L2782-F2936 HydrophobicContact CD2-CE2 3.58Å; L2782-F2936 VanDerWaalsContact CD2-CE2 3.43Å; L2782-F2936 HydrophobicContact CD2-CZ 4.28Å; L2782-F2936 HydrophobicContact CG-CD2 4.44Å; L2782-F2936 HydrophobicContact CG-CE2 4.02Å; L2782-F2936 HydrophobicContact CG-CZ 4.37Å; L2858-F2936 VanDerWaalsContact C-CE1 3.45Å; L2858-F2936 HydrophobicContact CB-CD1 4.3Å; L2858-F2936 HydrophobicContact CB-CE1 4.04Å; L2858-F2936 HydrophobicContact CB-CE2 4.32Å; L2858-F2936 HydrophobicContact CB-CZ 3.97Å; L2858-F2936 HydrophobicContact CD1-CE2 4.48Å; L2858-F2936 WeakPolarHBondContact O-CE1 3.27Å; L2858-F2936 WeakPolarHBondContact O-CZ 3.4Å; K2862-F2936 HydrophobicContact CB-CD1 3.94Å; K2862-F2936 HydrophobicContact CB-CE1 3.55Å; K2862-F2936 HydrophobicContact CB-CZ 3.78Å; K2862-F2936 VanDerWaalsContact CB-CZ 3.48Å; K2862-F2936 HydrophobicContact CD-CD1 4.04Å; K2862-F2936 HydrophobicContact CD-CE1 3.83Å; K2862-F2936 VanDerWaalsContact CD-CE1 3.41Å; K2862-F2936 HydrophobicContact CD-CE2 4.25Å; K2862-F2936 HydrophobicContact CD-CZ 3.98Å; K2862-F2936 HydrophobicContact CG-CD1 4.44Å; K2862-F2936 HydrophobicContact CG-CE1 4.08Å; K2862-F2936 HydrophobicContact CG-CE2 4.29Å; K2862-F2936 HydrophobicContact CG-CZ 3.51Å; L2932-F2936 HydrophobicContact CD1-CB 4.14Å; L2932-F2936 HydrophobicContact CD1-CD2 4.07Å; L2932-F2936 HydrophobicContact CD1-CE2 4.36Å; L2932-F2936 HydrophobicContact CD1-CG 4.32Å; L2932-F2936 CarbonylContact O-C 3.51Å; L2932-F2936 VanDerWaalsContact O-C 3.29Å; L2932-F2936 VanDerWaalsContact O-CA 3.3Å; L2932-F2936 WeakPolarHBondContact O-CA 3.38Å; L2932-F2936 VanDerWaalsContact O-CB 3.3Å; L2932-F2936 WeakPolarHBondContact O-CB 3.38Å; L2932-F2936 PolarHBondContact O-N 3.07Å; F2936-I2938 PolarHBondContact O-N 3.04Å; F2936-I2938 VanDerWaalsContact O-N 3.11Å; F2936-L2939 HydrophobicContact CB-CD1 3.62Å; F2936-L2939 HydrophobicContact CB-CG 4.03Å; F2936-L2939 HydrophobicContact CD1-CD1 4.09Å; F2936-L2939 HydrophobicContact CD1-CG 4.44Å; F2936-L2939 HydrophobicContact CG-CD1 4.24Å; F2936-L2939 WeakPolarHBondContact O-CB 3.48Å; F2936-L2939 PolarHBondContact O-N 3.04Å; F2936-L2939 VanDerWaalsContact O-N 3.11Å
2937N79.4Confident82.2Confident59.6 Ų59.638.3 Ų38.332%0.31920%0.196SC..G310 helixtrans-54.2-25.4179.263.9-6.9000114.4S2933 L2939 F2940 R2945S2933-N2937 WeakPolarHBondContact O-CA 3.35Å; S2933-N2937 PolarHBondContact O-N 2.53Å; N2937-L2939 VanDerWaalsContact C-N 3.29Å; N2937-L2939 PolarHBondContact O-N 3.3Å; N2937-F2940 PolarHBondContact O-N 2.97Å; N2937-R2945 VanDerWaalsContact O-CD 3.28Å; N2937-R2945 WeakPolarHBondContact O-CD 3.15Å; N2937-R2945 VanDerWaalsContact O-CZ 3.3Å; N2937-R2945 PolarHBondContact O-NE 3.28Å; N2937-R2945 VanDerWaalsContact O-NE 3.1Å; N2937-R2945 PolarHBondContact O-NH2 3.02Å; N2937-R2945 VanDerWaalsContact O-NH2 3.14Å
2938I81.1Confident83.1Confident5.6 Ų5.634.9 Ų34.93%0.02918%0.178CC..G310 helixtrans-63.5-26.9176.661178.4000114.4I2861 Y2865 M2898 F2901 F2936 F2940I2861-I2938 HydrophobicContact CG2-CD1 4.1Å; Y2865-I2938 HydrophobicContact CD1-CD1 4.27Å; Y2865-I2938 HydrophobicContact CD1-CG2 3.78Å; Y2865-I2938 HydrophobicContact CD2-CB 4.4Å; Y2865-I2938 HydrophobicContact CD2-CD1 4.23Å; Y2865-I2938 HydrophobicContact CD2-CG2 3.84Å; Y2865-I2938 HydrophobicContact CE1-CG2 3.66Å; Y2865-I2938 HydrophobicContact CE2-CB 4.44Å; Y2865-I2938 HydrophobicContact CE2-CG2 3.72Å; Y2865-I2938 HydrophobicContact CG-CD1 3.83Å; Y2865-I2938 HydrophobicContact CG-CG2 3.87Å; Y2865-I2938 VanDerWaalsContact CZ-CG2 3.47Å; M2898-I2938 HydrophobicContact CE-CG2 4.11Å; F2901-I2938 CarbonylContact C-O 3.39Å; F2901-I2938 HydrophobicContact CB-CB 4.28Å; F2901-I2938 HydrophobicContact CB-CD1 4.41Å; F2901-I2938 HydrophobicContact CD1-CD1 4.29Å; F2936-I2938 PolarHBondContact O-N 3.04Å; F2936-I2938 VanDerWaalsContact O-N 3.11Å; I2938-F2940 PolarHBondContact O-N 3.17Å; I2938-F2940 VanDerWaalsContact O-N 3.15Å
2939L85Confident83.5Confident7 Ų737.3 Ų37.34%0.03719%0.189CC..G310 helixtrans-71.9-14.6-177.7-65173.2000113.2L2858 I2861 S2903 L2906 L2932 F2936 N2937L2858-L2939 HydrophobicContact CD2-CD1 3.61Å; I2861-L2939 HydrophobicContact CG2-CD2 4.35Å; S2903-L2939 PolarHBondContact N-O 3.08Å; L2906-L2939 HydrophobicContact CD1-CD1 4.37Å; L2932-L2939 HydrophobicContact CD1-CD1 3.88Å; L2932-L2939 HydrophobicContact CD2-CD1 4.17Å; L2932-L2939 HydrophobicContact CG-CD1 3.95Å; F2936-L2939 HydrophobicContact CB-CD1 3.62Å; F2936-L2939 HydrophobicContact CB-CG 4.03Å; F2936-L2939 HydrophobicContact CD1-CD1 4.09Å; F2936-L2939 HydrophobicContact CD1-CG 4.44Å; F2936-L2939 HydrophobicContact CG-CD1 4.24Å; F2936-L2939 WeakPolarHBondContact O-CB 3.48Å; F2936-L2939 PolarHBondContact O-N 3.04Å; F2936-L2939 VanDerWaalsContact O-N 3.11Å; N2937-L2939 VanDerWaalsContact C-N 3.29Å; N2937-L2939 PolarHBondContact O-N 3.3Å
2940F88.2Confident83.7Confident1.2 Ų1.238.9 Ų38.91%0.00520%0.199CC..SBendtrans-130.6130.9-174-55.2-78000110.4L2906 L2910 W2928 L2932 N2937 I2938 V2944 R2945L2906-F2940 HydrophobicContact CB-CE1 3.87Å; L2906-F2940 HydrophobicContact CB-CZ 4.22Å; L2910-F2940 HydrophobicContact CB-CD1 4.47Å; L2910-F2940 HydrophobicContact CB-CE1 3.98Å; L2910-F2940 HydrophobicContact CD2-CD1 3.55Å; L2910-F2940 HydrophobicContact CD2-CD2 4.45Å; L2910-F2940 HydrophobicContact CD2-CE1 3.44Å; L2910-F2940 VanDerWaalsContact CD2-CE1 3.44Å; L2910-F2940 HydrophobicContact CD2-CE2 4.41Å; L2910-F2940 HydrophobicContact CD2-CG 4.1Å; L2910-F2940 HydrophobicContact CD2-CZ 3.92Å; L2910-F2940 HydrophobicContact CG-CE1 4.34Å; W2928-F2940 HydrophobicContact CZ3-CE1 4.42Å; W2928-F2940 HydrophobicContact CZ3-CZ 4.18Å; L2932-F2940 HydrophobicContact CB-CE2 4.28Å; L2932-F2940 HydrophobicContact CD2-CE2 4.22Å; L2932-F2940 HydrophobicContact CD2-CZ 4.04Å; L2932-F2940 HydrophobicContact CG-CE2 4.06Å; L2932-F2940 HydrophobicContact CG-CZ 4.37Å; N2937-F2940 PolarHBondContact O-N 2.97Å; I2938-F2940 PolarHBondContact O-N 3.17Å; I2938-F2940 VanDerWaalsContact O-N 3.15Å; F2940-V2944 HydrophobicContact CB-CB 4.42Å; F2940-V2944 HydrophobicContact CB-CG1 4.44Å; F2940-V2944 HydrophobicContact CD1-CG1 4.38Å; F2940-R2945 HydrophobicContact CB-CG 3.79Å; F2940-R2945 PolarHBondContact O-NE 3.19Å; F2940-R2945 PolarHBondContact O-NH2 3.32Å
2941S85.8Confident83.9Confident50.6 Ų50.636.4 Ų36.435%0.35419%0.187SC..  trans-61.1153.5175.268.60000111.7N2943 V2944 R2945S2941-N2943 PolarHBondContact O-N 3.25Å; S2941-N2943 VanDerWaalsContact O-N 3.1Å; S2941-V2944 WeakPolarHBondContact O-CB 3.47Å; S2941-V2944 PolarHBondContact O-N 3.13Å; S2941-V2944 VanDerWaalsContact O-N 3.09Å; S2941-V2944 VanDerWaalsContact OG-CG2 3.3Å; S2941-V2944 WeakPolarHBondContact OG-CG2 3.2Å; S2941-R2945 PolarHBondContact O-N 2.88Å; S2941-R2945 VanDerWaalsContact O-N 3.15Å
2942F86.1Confident84.4Confident117 Ų11736.7 Ų36.751%0.51319%0.188SC..Hα-helixtrans-51.2-42-179.9172.4-104.8000112.7V2944 R2945 S2946 F3680 E3684F2942-V2944 VanDerWaalsContact C-N 3.32Å; F2942-V2944 PolarHBondContact O-N 3.22Å; F2942-R2945 PolarHBondContact O-N 3.16Å; F2942-S2946 VanDerWaalsContact O-CB 3.26Å; F2942-S2946 WeakPolarHBondContact O-CB 3.41Å; F2942-S2946 PolarHBondContact O-N 2.98Å; F2942-F3680 HydrophobicContact CD2-CD1 4.04Å; F2942-F3680 HydrophobicContact CD2-CE1 4.22Å; F2942-F3680 AromaticContact CE2-CD1 3.79Å; F2942-F3680 HydrophobicContact CE2-CD1 3.79Å; F2942-F3680 AromaticContact CE2-CE1 3.84Å; F2942-F3680 HydrophobicContact CE2-CE1 3.84Å; F2942-E3684 HydrophobicContact CD2-CB 4.08Å; F2942-E3684 HydrophobicContact CD2-CG 3.78Å; F2942-E3684 HydrophobicContact CE2-CB 3.99Å; F2942-E3684 HydrophobicContact CE2-CG 4.15Å
2943N86.4Confident84.5Confident99.8 Ų99.838.1 Ų38.153%0.53420%0.201SC..Hα-helixtrans-56.8-45.1177.6-172.5-2.2000111.9S2941 R2945 S2946 Q2947S2941-N2943 PolarHBondContact O-N 3.25Å; S2941-N2943 VanDerWaalsContact O-N 3.1Å; N2943-R2945 VanDerWaalsContact C-N 3.33Å; N2943-R2945 PolarHBondContact O-N 3.24Å; N2943-S2946 WeakPolarHBondContact O-CB 3.46Å; N2943-S2946 PolarHBondContact O-N 3.19Å; N2943-S2946 VanDerWaalsContact O-N 3.16Å; N2943-Q2947 WeakPolarHBondContact O-CB 3.16Å; N2943-Q2947 VanDerWaalsContact O-CG 3.28Å; N2943-Q2947 WeakPolarHBondContact O-CG 3.32Å; N2943-Q2947 PolarHBondContact O-N 3.16Å; N2943-Q2947 PolarHBondContact O-NE2 3.15Å; N2943-Q2947 PolarHBondContact OD1-NE2 3.07Å
2944V89.2Confident84.6Confident5.8 Ų5.839.8 Ų39.84%0.03521%0.207CC..Hα-helixtrans-68.7-40.3-179.4-1800000111.2T2907 L2910 L2911 F2940 S2941 F2942 Q2947 L2948T2907-V2944 HydrophobicContact CG2-CG1 4.4Å; T2907-V2944 HydrophobicContact CG2-CG2 3.57Å; L2910-V2944 HydrophobicContact CD2-CG1 3.81Å; L2910-V2944 HydrophobicContact CG-CG1 4.33Å; L2911-V2944 HydrophobicContact CD1-CG2 4.37Å; L2911-V2944 HydrophobicContact CD2-CG1 4.24Å; L2911-V2944 HydrophobicContact CD2-CG2 4.39Å; L2911-V2944 HydrophobicContact CG-CG1 4.3Å; L2911-V2944 HydrophobicContact CG-CG2 4.42Å; F2940-V2944 HydrophobicContact CB-CB 4.42Å; F2940-V2944 HydrophobicContact CB-CG1 4.44Å; F2940-V2944 HydrophobicContact CD1-CG1 4.38Å; S2941-V2944 WeakPolarHBondContact O-CB 3.47Å; S2941-V2944 PolarHBondContact O-N 3.13Å; S2941-V2944 VanDerWaalsContact O-N 3.09Å; S2941-V2944 VanDerWaalsContact OG-CG2 3.3Å; S2941-V2944 WeakPolarHBondContact OG-CG2 3.2Å; F2942-V2944 VanDerWaalsContact C-N 3.32Å; F2942-V2944 PolarHBondContact O-N 3.22Å; V2944-Q2947 WeakPolarHBondContact O-CB 3.27Å; V2944-Q2947 PolarHBondContact O-N 3.28Å; V2944-L2948 PolarHBondContact O-N 3.19Å
2945R89.9Confident84.6Confident38.4 Ų38.437.1 Ų37.115%0.14520%0.201CC..Hα-helixtrans-66.8-39.2175.6-68.9-174-79.7111.8-6.8112.2N2937 F2940 S2941 F2942 N2943 Q2947 L2948 F2949 L3679 E3684N2937-R2945 VanDerWaalsContact O-CD 3.28Å; N2937-R2945 WeakPolarHBondContact O-CD 3.15Å; N2937-R2945 VanDerWaalsContact O-CZ 3.3Å; N2937-R2945 PolarHBondContact O-NE 3.28Å; N2937-R2945 VanDerWaalsContact O-NE 3.1Å; N2937-R2945 PolarHBondContact O-NH2 3.02Å; N2937-R2945 VanDerWaalsContact O-NH2 3.14Å; F2940-R2945 HydrophobicContact CB-CG 3.79Å; F2940-R2945 PolarHBondContact O-NE 3.19Å; F2940-R2945 PolarHBondContact O-NH2 3.32Å; S2941-R2945 PolarHBondContact O-N 2.88Å; S2941-R2945 VanDerWaalsContact O-N 3.15Å; F2942-R2945 PolarHBondContact O-N 3.16Å; N2943-R2945 VanDerWaalsContact C-N 3.33Å; N2943-R2945 PolarHBondContact O-N 3.24Å; R2945-Q2947 VanDerWaalsContact C-N 3.33Å; R2945-L2948 WeakPolarHBondContact O-CB 3.26Å; R2945-L2948 PolarHBondContact O-N 2.97Å; R2945-F2949 WeakPolarHBondContact O-CB 3.32Å; R2945-F2949 PolarHBondContact O-N 3.17Å; R2945-L3679 VanDerWaalsContact CD-O 3.26Å; R2945-L3679 WeakPolarHBondContact CD-O 3.42Å; R2945-L3679 PolarHBondContact NH1-O 2.81Å; R2945-E3684 IonicContact CZ-OE1 3.28Å; R2945-E3684 IonicContact CZ-OE2 3.61Å; R2945-E3684 IonicContact NH1-OE1 3.43Å; R2945-E3684 IonicContact NH1-OE2 2.99Å; R2945-E3684 PolarHBondContact NH1-OE2 3.41Å; R2945-E3684 IonicContact NH2-OE1 2.88Å; R2945-E3684 PolarHBondContact NH2-OE1 3.28Å; R2945-E3684 IonicContact NH2-OE2 3.15Å; R2945-E3684 PolarHBondContact NH2-OE2 3.16Å
2946S88.2Confident84.9Confident40.6 Ų40.635.6 Ų35.628%0.28420%0.201SC..Hα-helixtrans-63.1-40172.4-177.80000112F2942 N2943 F2949 S2950F2942-S2946 VanDerWaalsContact O-CB 3.26Å; F2942-S2946 WeakPolarHBondContact O-CB 3.41Å; F2942-S2946 PolarHBondContact O-N 2.98Å; N2943-S2946 WeakPolarHBondContact O-CB 3.46Å; N2943-S2946 PolarHBondContact O-N 3.19Å; N2943-S2946 VanDerWaalsContact O-N 3.16Å; S2946-F2949 PolarHBondContact O-N 3.05Å; S2946-S2950 VanDerWaalsContact O-CB 3.27Å; S2946-S2950 WeakPolarHBondContact O-CB 3.4Å; S2946-S2950 PolarHBondContact O-N 3.22Å; S2946-S2950 PolarHBondContact O-OG 3.13Å
2947Q88.9Confident85Confident30 Ų3036.4 Ų36.414%0.1421%0.208CC..Hα-helixtrans-64.2-45.6173.7-72.7178.347.700112.3L2911 N2943 V2944 R2945 F2949 S2950 A2951 W2962 R2966L2911-Q2947 VanDerWaalsContact CD2-OE1 3.3Å; N2943-Q2947 WeakPolarHBondContact O-CB 3.16Å; N2943-Q2947 VanDerWaalsContact O-CG 3.28Å; N2943-Q2947 WeakPolarHBondContact O-CG 3.32Å; N2943-Q2947 PolarHBondContact O-N 3.16Å; N2943-Q2947 PolarHBondContact O-NE2 3.15Å; N2943-Q2947 PolarHBondContact OD1-NE2 3.07Å; V2944-Q2947 WeakPolarHBondContact O-CB 3.27Å; V2944-Q2947 PolarHBondContact O-N 3.28Å; R2945-Q2947 VanDerWaalsContact C-N 3.33Å; Q2947-F2949 VanDerWaalsContact C-N 3.31Å; Q2947-F2949 PolarHBondContact O-N 3.01Å; Q2947-S2950 PolarHBondContact O-N 3.29Å; Q2947-A2951 WeakPolarHBondContact O-CB 3.31Å; Q2947-A2951 PolarHBondContact O-N 3.07Å; Q2947-W2962 HydrophobicContact CB-CH2 4.22Å; Q2947-W2962 HydrophobicContact CB-CZ2 3.95Å; Q2947-W2962 HydrophobicContact CG-CZ2 4.2Å; Q2947-W2962 WeakPolarHBondContact O-CH2 3.13Å; Q2947-W2962 VanDerWaalsContact O-CZ2 3.28Å; Q2947-W2962 WeakPolarHBondContact O-CZ2 3.5Å; Q2947-R2966 VanDerWaalsContact CD-NH2 3.3Å; Q2947-R2966 VanDerWaalsContact CG-NH2 3.33Å; Q2947-R2966 VanDerWaalsContact OE1-CZ 3.28Å; Q2947-R2966 VanDerWaalsContact OE1-NH2 3.14Å
2948L89.8Confident85.2Confident5.4 Ų5.435.8 Ų35.83%0.02820%0.202CC..Hα-helixtrans-58.5-46.2174.9178.964.4000111.5L2910 I2914 L2925 C2929 L2930 S2933 V2944 R2945 A2951 C2952 W3676 L3679L2910-L2948 HydrophobicContact CD1-CD1 4.35Å; L2910-L2948 HydrophobicContact CD1-CD2 4.46Å; L2910-L2948 HydrophobicContact CD2-CD2 4.43Å; I2914-L2948 HydrophobicContact CD1-CB 3.72Å; I2914-L2948 HydrophobicContact CD1-CD1 3.75Å; I2914-L2948 HydrophobicContact CD1-CG 4.29Å; I2914-L2948 HydrophobicContact CG1-CD1 3.82Å; L2925-L2948 HydrophobicContact CD1-CD1 4.37Å; C2929-L2948 VanDerWaalsContact O-CD2 3.29Å; C2929-L2948 WeakPolarHBondContact O-CD2 3.39Å; L2930-L2948 HydrophobicContact CD2-CD1 4.27Å; L2930-L2948 HydrophobicContact CD2-CD2 4.31Å; L2930-L2948 HydrophobicContact CD2-CG 4.41Å; S2933-L2948 VanDerWaalsContact OG-CD2 3.25Å; S2933-L2948 WeakPolarHBondContact OG-CD2 3.31Å; V2944-L2948 PolarHBondContact O-N 3.19Å; R2945-L2948 WeakPolarHBondContact O-CB 3.26Å; R2945-L2948 PolarHBondContact O-N 2.97Å; L2948-A2951 WeakPolarHBondContact O-CB 3.46Å; L2948-A2951 PolarHBondContact O-N 3.19Å; L2948-C2952 VanDerWaalsContact CD1-SG 3.54Å; L2948-C2952 VanDerWaalsContact O-CB 3.28Å; L2948-C2952 WeakPolarHBondContact O-CB 3.41Å; L2948-C2952 PolarHBondContact O-N 3.2Å; L2948-C2952 PolarHBondContact O-SG 3.19Å; L2948-C2952 VanDerWaalsContact O-SG 3.35Å; L2948-W3676 HydrophobicContact CG-CZ3 4.48Å; L2948-L3679 HydrophobicContact CD2-CD1 4.23Å; L2948-L3679 HydrophobicContact CD2-CD2 4.01Å; L2948-L3679 HydrophobicContact CG-CD1 4.31Å
2949F89Confident85.2Confident64.6 Ų64.635.7 Ų35.728%0.28320%0.201SC..Hα-helixtrans-59.3-52.6176.5179.4-106.2000111.7R2945 S2946 Q2947 A2951 C2952 A2953 F2954 L3376 L3672 W3676 L3679 F3680 L3688R2945-F2949 WeakPolarHBondContact O-CB 3.32Å; R2945-F2949 PolarHBondContact O-N 3.17Å; S2946-F2949 PolarHBondContact O-N 3.05Å; Q2947-F2949 VanDerWaalsContact C-N 3.31Å; Q2947-F2949 PolarHBondContact O-N 3.01Å; F2949-A2951 VanDerWaalsContact C-N 3.28Å; F2949-A2951 PolarHBondContact O-N 2.91Å; F2949-C2952 PolarHBondContact O-N 2.89Å; F2949-A2953 HydrophobicContact CD1-CB 4.27Å; F2949-A2953 HydrophobicContact CD2-CB 3.68Å; F2949-A2953 VanDerWaalsContact CD2-CB 3.49Å; F2949-A2953 HydrophobicContact CE1-CB 4.09Å; F2949-A2953 HydrophobicContact CE2-CB 3.64Å; F2949-A2953 HydrophobicContact CG-CB 4.27Å; F2949-A2953 HydrophobicContact CZ-CB 4.11Å; F2949-A2953 WeakPolarHBondContact O-CB 3.34Å; F2949-A2953 PolarHBondContact O-N 3.06Å; F2949-F2954 AromaticContact CD1-CZ 3.95Å; F2949-F2954 HydrophobicContact CD1-CZ 4.17Å; F2949-F2954 AromaticContact CE1-CE1 3.91Å; F2949-F2954 HydrophobicContact CE1-CE1 4.11Å; F2949-F2954 HydrophobicContact CE1-CE2 4.22Å; F2949-F2954 AromaticContact CE1-CZ 3.6Å; F2949-F2954 HydrophobicContact CE1-CZ 3.6Å; F2949-F2954 VanDerWaalsContact CE1-CZ 3.47Å; F2949-F2954 HydrophobicContact CE2-CE1 4.19Å; F2949-F2954 HydrophobicContact CE2-CZ 4.42Å; F2949-F2954 AromaticContact CZ-CE1 3.69Å; F2949-F2954 HydrophobicContact CZ-CE1 3.95Å; F2949-F2954 AromaticContact CZ-CZ 3.87Å; F2949-F2954 HydrophobicContact CZ-CZ 3.97Å; F2949-L3376 HydrophobicContact CE1-CB 4.21Å; F2949-L3376 HydrophobicContact CE1-CD2 4.41Å; F2949-L3376 HydrophobicContact CZ-CB 4.05Å; F2949-L3376 HydrophobicContact CZ-CD1 4.16Å; F2949-L3672 HydrophobicContact CE2-CD1 4.17Å; F2949-L3672 HydrophobicContact CZ-CD1 4.48Å; F2949-W3676 HydrophobicContact CD2-CB 3.92Å; F2949-W3676 HydrophobicContact CD2-CE3 4.17Å; F2949-W3676 HydrophobicContact CD2-CG 4.45Å; F2949-W3676 HydrophobicContact CE2-CB 3.69Å; F2949-W3676 HydrophobicContact CE2-CG 4.41Å; F2949-L3679 HydrophobicContact CB-CD1 3.9Å; F2949-L3679 HydrophobicContact CD2-CD1 4.4Å; F2949-F3680 HydrophobicContact CB-CE2 4.08Å; F2949-F3680 HydrophobicContact CB-CZ 3.77Å; F2949-F3680 AromaticContact CD1-CE2 3.94Å; F2949-F3680 HydrophobicContact CD1-CE2 3.94Å; F2949-F3680 AromaticContact CD1-CZ 3.96Å; F2949-F3680 HydrophobicContact CD1-CZ 3.96Å; F2949-F3680 HydrophobicContact CD2-CE2 4.08Å; F2949-F3680 HydrophobicContact CE1-CE2 4.39Å; F2949-F3680 AromaticContact CG-CE2 3.77Å; F2949-F3680 HydrophobicContact CG-CE2 3.77Å; F2949-F3680 AromaticContact CG-CZ 3.88Å; F2949-F3680 HydrophobicContact CG-CZ 3.88Å; F2949-L3688 HydrophobicContact CE1-CD2 4.17Å
2950S86.6Confident85Confident32.4 Ų32.436 Ų3623%0.22721%0.205CC..Hα-helixtrans-61.1-33.8179.6-59.10000113.4S2946 Q2947 W2962S2946-S2950 VanDerWaalsContact O-CB 3.27Å; S2946-S2950 WeakPolarHBondContact O-CB 3.4Å; S2946-S2950 PolarHBondContact O-N 3.22Å; S2946-S2950 PolarHBondContact O-OG 3.13Å; Q2947-S2950 PolarHBondContact O-N 3.29Å; S2950-W2962 VanDerWaalsContact CB-NE1 3.3Å
2951A85Confident84.6Confident1.2 Ų1.237.4 Ų37.41%0.0121%0.214CC..Hα-helixtrans-75.9-37.8-179.600000112.5I2914 L2920 Q2947 L2948 F2949 A2959 W2962I2914-A2951 HydrophobicContact CG2-CB 3.74Å; L2920-A2951 HydrophobicContact CD1-CB 3.71Å; L2920-A2951 HydrophobicContact CD2-CB 3.93Å; L2920-A2951 HydrophobicContact CG-CB 4.44Å; Q2947-A2951 WeakPolarHBondContact O-CB 3.31Å; Q2947-A2951 PolarHBondContact O-N 3.07Å; L2948-A2951 WeakPolarHBondContact O-CB 3.46Å; L2948-A2951 PolarHBondContact O-N 3.19Å; F2949-A2951 VanDerWaalsContact C-N 3.28Å; F2949-A2951 PolarHBondContact O-N 2.91Å; A2951-A2959 WeakPolarHBondContact O-CA 3.47Å; A2951-A2959 WeakPolarHBondContact O-CB 3.34Å; A2951-W2962 HydrophobicContact CB-CD2 4.08Å; A2951-W2962 HydrophobicContact CB-CE3 3.86Å; A2951-W2962 HydrophobicContact CB-CG 4.48Å; A2951-W2962 HydrophobicContact CB-CH2 3.84Å; A2951-W2962 HydrophobicContact CB-CZ2 4.16Å; A2951-W2962 HydrophobicContact CB-CZ3 3.69Å
2952C84.7Confident84.5Confident37.4 Ų37.437 Ų3725%0.25321%0.205SC..Hα-helixtrans-106.7-38.6-168.5-55.20000114.4L2920 L2925 L2948 F2949 F2954 G2955 W3676L2920-C2952 VanDerWaalsContact CD1-SG 3.51Å; L2920-C2952 WeakPolarHBondContact CD1-SG 3.3Å; L2925-C2952 WeakPolarHBondContact CD1-SG 3.32Å; L2948-C2952 VanDerWaalsContact CD1-SG 3.54Å; L2948-C2952 VanDerWaalsContact O-CB 3.28Å; L2948-C2952 WeakPolarHBondContact O-CB 3.41Å; L2948-C2952 PolarHBondContact O-N 3.2Å; L2948-C2952 PolarHBondContact O-SG 3.19Å; L2948-C2952 VanDerWaalsContact O-SG 3.35Å; F2949-C2952 PolarHBondContact O-N 2.89Å; C2952-F2954 VanDerWaalsContact C-N 3.31Å; C2952-F2954 PolarHBondContact O-N 3Å; C2952-F2954 VanDerWaalsContact O-N 3.16Å; C2952-G2955 PolarHBondContact O-N 2.86Å; C2952-W3676 HydrophobicContact CB-CH2 3.26Å; C2952-W3676 HydrophobicContact CB-CZ2 3.96Å; C2952-W3676 HydrophobicContact CB-CZ3 3.96Å
2953A83.4Confident84.3Confident35.2 Ų35.233.3 Ų33.329%0.29119%0.19SC..THydrogen-bonded Turntrans-68.2-24.3-164.400000114.3F2949 W3676F2949-A2953 HydrophobicContact CD1-CB 4.27Å; F2949-A2953 HydrophobicContact CD2-CB 3.68Å; F2949-A2953 VanDerWaalsContact CD2-CB 3.49Å; F2949-A2953 HydrophobicContact CE1-CB 4.09Å; F2949-A2953 HydrophobicContact CE2-CB 3.64Å; F2949-A2953 HydrophobicContact CG-CB 4.27Å; F2949-A2953 HydrophobicContact CZ-CB 4.11Å; F2949-A2953 WeakPolarHBondContact O-CB 3.34Å; F2949-A2953 PolarHBondContact O-N 3.06Å; A2953-W3676 HydrophobicContact CB-CB 4.37Å; A2953-W3676 HydrophobicContact CB-CD2 3.52Å; A2953-W3676 HydrophobicContact CB-CE3 3.87Å; A2953-W3676 HydrophobicContact CB-CG 3.75Å; A2953-W3676 HydrophobicContact CB-CZ2 4.27Å; A2953-W3676 HydrophobicContact CB-CZ3 4.37Å
2954F83.8Confident84Confident41.6 Ų41.631.7 Ų31.718%0.18218%0.179CC..THydrogen-bonded Turntrans-103.53.4-171.1-48.9-49.3000114.5F2949 C2952 R2958 L3376 Q3377 L3672F2949-F2954 AromaticContact CD1-CZ 3.95Å; F2949-F2954 HydrophobicContact CD1-CZ 4.17Å; F2949-F2954 AromaticContact CE1-CE1 3.91Å; F2949-F2954 HydrophobicContact CE1-CE1 4.11Å; F2949-F2954 HydrophobicContact CE1-CE2 4.22Å; F2949-F2954 AromaticContact CE1-CZ 3.6Å; F2949-F2954 HydrophobicContact CE1-CZ 3.6Å; F2949-F2954 VanDerWaalsContact CE1-CZ 3.47Å; F2949-F2954 HydrophobicContact CE2-CE1 4.19Å; F2949-F2954 HydrophobicContact CE2-CZ 4.42Å; F2949-F2954 AromaticContact CZ-CE1 3.69Å; F2949-F2954 HydrophobicContact CZ-CE1 3.95Å; F2949-F2954 AromaticContact CZ-CZ 3.87Å; F2949-F2954 HydrophobicContact CZ-CZ 3.97Å; C2952-F2954 VanDerWaalsContact C-N 3.31Å; C2952-F2954 PolarHBondContact O-N 3Å; C2952-F2954 VanDerWaalsContact O-N 3.16Å; F2954-R2958 HydrophobicContact CB-CB 3.85Å; F2954-R2958 HydrophobicContact CB-CG 4.36Å; F2954-L3376 HydrophobicContact CE1-CB 4.34Å; F2954-L3376 HydrophobicContact CZ-CB 4.2Å; F2954-L3376 VanDerWaalsContact CZ-O 3.23Å; F2954-L3376 WeakPolarHBondContact CZ-O 3.16Å; F2954-Q3377 HydrophobicContact CB-CG 4.13Å; F2954-Q3377 HydrophobicContact CD1-CB 4Å; F2954-Q3377 HydrophobicContact CD1-CG 3.9Å; F2954-Q3377 VanDerWaalsContact CE1-CA 3.49Å; F2954-Q3377 HydrophobicContact CE1-CB 4.19Å; F2954-Q3377 HydrophobicContact CE1-CG 4.47Å; F2954-Q3377 HydrophobicContact CG-CB 4.46Å; F2954-Q3377 HydrophobicContact CG-CG 4.05Å; F2954-L3672 HydrophobicContact CD1-CD2 3.96Å; F2954-L3672 HydrophobicContact CE1-CD2 3.85Å
2955G78.9Confident83.3Confident22.2 Ų22.237.4 Ų37.423%0.22921%0.21CC..  trans84.3169.5174.800000115.8C2952 A2957 R2958 A2959C2952-G2955 PolarHBondContact O-N 2.86Å; G2955-A2957 VanDerWaalsContact C-N 3.33Å; G2955-A2957 PolarHBondContact O-N 2.94Å; G2955-A2957 VanDerWaalsContact O-N 3.15Å; G2955-R2958 PolarHBondContact O-N 3.18Å; G2955-A2959 PolarHBondContact O-N 3.21Å
2956P77.8Confident82.4Confident47.8 Ų47.839 Ų3931%0.3122%0.215SC..Hα-helixtrans-57.2-38.2-163.4-30.937.4000116.2P2622 T2691 A2921 R2958 A2959 A2960P2622-P2956 HydrophobicContact CB-CB 4.32Å; P2622-P2956 HydrophobicContact CG-CB 4.47Å; T2691-P2956 HydrophobicContact CG2-CG 4.33Å; A2921-P2956 WeakPolarHBondContact O-CB 3.38Å; P2956-R2958 VanDerWaalsContact C-N 3.32Å; P2956-R2958 PolarHBondContact O-N 3.3Å; P2956-A2959 WeakPolarHBondContact O-CB 3.39Å; P2956-A2959 PolarHBondContact O-N 3.22Å; P2956-A2960 VanDerWaalsContact O-CB 3.31Å; P2956-A2960 WeakPolarHBondContact O-CB 3.34Å; P2956-A2960 PolarHBondContact O-N 2.99Å
2957A78.3Confident80.7Confident20 Ų2042.5 Ų42.517%0.16524%0.237CC..Hα-helixtrans-61.6-43.6178.400000112.1P2622 L2623 L2625 G2955 A2960 T2961P2622-A2957 HydrophobicContact CB-CB 3.97Å; L2623-A2957 WeakPolarHBondContact O-CB 3.36Å; L2625-A2957 HydrophobicContact CD1-CB 4.38Å; L2625-A2957 HydrophobicContact CD2-CB 4.22Å; L2625-A2957 HydrophobicContact CG-CB 3.91Å; G2955-A2957 VanDerWaalsContact C-N 3.33Å; G2955-A2957 PolarHBondContact O-N 2.94Å; G2955-A2957 VanDerWaalsContact O-N 3.15Å; A2957-A2960 PolarHBondContact O-N 3.28Å; A2957-T2961 WeakPolarHBondContact O-CB 3.29Å; A2957-T2961 PolarHBondContact O-N 3.19Å; A2957-T2961 VanDerWaalsContact O-N 3.16Å; A2957-T2961 PolarHBondContact O-OG1 3.16Å; A2957-T2961 VanDerWaalsContact O-OG1 3.1Å
2958R82.5Confident78.6Confident48 Ų4848.1 Ų48.118%0.18127%0.267CS..Hα-helixtrans-77.3-34.5178.6-73.1177.8-179.6-118.84.9111.7F2954 G2955 P2956 A2960 T2961 W2962 L3193 K3248 S3249 Q3377 D3378F2954-R2958 HydrophobicContact CB-CB 3.85Å; F2954-R2958 HydrophobicContact CB-CG 4.36Å; G2955-R2958 PolarHBondContact O-N 3.18Å; P2956-R2958 VanDerWaalsContact C-N 3.32Å; P2956-R2958 PolarHBondContact O-N 3.3Å; R2958-A2960 VanDerWaalsContact C-N 3.32Å; R2958-A2960 PolarHBondContact O-N 2.95Å; R2958-T2961 WeakPolarHBondContact CA-OG1 3.34Å; R2958-T2961 PolarHBondContact O-N 2.9Å; R2958-T2961 VanDerWaalsContact O-N 3.15Å; R2958-T2961 PolarHBondContact O-OG1 2.75Å; R2958-W2962 VanDerWaalsContact O-CB 3.28Å; R2958-W2962 WeakPolarHBondContact O-CB 3.34Å; R2958-W2962 PolarHBondContact O-N 3.22Å; R2958-L3193 HydrophobicContact CG-CD1 3.85Å; R2958-L3193 HydrophobicContact CG-CD2 4.15Å; R2958-K3248 VanDerWaalsContact CZ-O 3.28Å; R2958-K3248 PolarHBondContact NE-O 3.08Å; R2958-K3248 PolarHBondContact NH2-O 3.31Å; R2958-S3249 PolarHBondContact NH2-O 3.05Å; R2958-Q3377 VanDerWaalsContact NH1-C 3.31Å; R2958-Q3377 PolarHBondContact NH1-O 3.35Å; R2958-D3378 IonicContact CZ-OD1 3.58Å; R2958-D3378 IonicContact NH1-OD1 3.29Å; R2958-D3378 PolarHBondContact NH1-OD1 2.98Å; R2958-D3378 IonicContact NH2-OD1 3.45Å; R2958-D3378 PolarHBondContact NH2-OD1 2.89Å
2959A82.2Confident76.2Confident3 Ų356 Ų563%0.02530%0.304CS..Hα-helixtrans-56.2-47.3169.700000112L2920 A2951 G2955 P2956 T2961 W2962 L2963L2920-A2959 HydrophobicContact CD2-CB 3.93Å; L2920-A2959 HydrophobicContact CG-CB 4.01Å; A2951-A2959 WeakPolarHBondContact O-CA 3.47Å; A2951-A2959 WeakPolarHBondContact O-CB 3.34Å; G2955-A2959 PolarHBondContact O-N 3.21Å; P2956-A2959 WeakPolarHBondContact O-CB 3.39Å; P2956-A2959 PolarHBondContact O-N 3.22Å; A2959-T2961 VanDerWaalsContact C-N 3.34Å; A2959-T2961 PolarHBondContact O-N 2.97Å; A2959-W2962 WeakPolarHBondContact O-CB 3.29Å; A2959-W2962 PolarHBondContact O-N 3.13Å; A2959-L2963 WeakPolarHBondContact O-CG 3.43Å; A2959-L2963 PolarHBondContact O-N 3.08Å
2960A79.8Confident73.5Confident12.8 Ų12.860.9 Ų60.911%0.10633%0.325CS..Hα-helixtrans-64.8-39.8175.500000112.5L2625 P2956 A2957 R2958 W2962 L2963 Q2964 I3190L2625-A2960 HydrophobicContact CD1-CB 4.25Å; P2956-A2960 VanDerWaalsContact O-CB 3.31Å; P2956-A2960 WeakPolarHBondContact O-CB 3.34Å; P2956-A2960 PolarHBondContact O-N 2.99Å; A2957-A2960 PolarHBondContact O-N 3.28Å; R2958-A2960 VanDerWaalsContact C-N 3.32Å; R2958-A2960 PolarHBondContact O-N 2.95Å; A2960-W2962 VanDerWaalsContact C-N 3.29Å; A2960-W2962 PolarHBondContact O-N 3.35Å; A2960-L2963 PolarHBondContact O-N 3.19Å; A2960-Q2964 VanDerWaalsContact C-NE2 3.34Å; A2960-Q2964 WeakPolarHBondContact O-CB 3.33Å; A2960-Q2964 VanDerWaalsContact O-CG 3.28Å; A2960-Q2964 WeakPolarHBondContact O-CG 3.4Å; A2960-Q2964 PolarHBondContact O-N 3.13Å; A2960-Q2964 VanDerWaalsContact O-N 3.13Å; A2960-Q2964 PolarHBondContact O-NE2 3.07Å; A2960-I3190 HydrophobicContact CB-CD1 4.4Å; A2960-I3190 HydrophobicContact CB-CG2 4.35Å
2961T81Confident70.9Confident30.8 Ų30.868 Ų6819%0.18935%0.347CS..Hα-helixtrans-65.5-37.2173.8-16.60000112.1L2625 A2957 R2958 A2959 Q2964 N2965 L3193L2625-T2961 HydrophobicContact CD2-CG2 3.78Å; L2625-T2961 WeakPolarHBondContact CD2-OG1 3.43Å; A2957-T2961 WeakPolarHBondContact O-CB 3.29Å; A2957-T2961 PolarHBondContact O-N 3.19Å; A2957-T2961 VanDerWaalsContact O-N 3.16Å; A2957-T2961 PolarHBondContact O-OG1 3.16Å; A2957-T2961 VanDerWaalsContact O-OG1 3.1Å; R2958-T2961 WeakPolarHBondContact CA-OG1 3.34Å; R2958-T2961 PolarHBondContact O-N 2.9Å; R2958-T2961 VanDerWaalsContact O-N 3.15Å; R2958-T2961 PolarHBondContact O-OG1 2.75Å; A2959-T2961 VanDerWaalsContact C-N 3.34Å; A2959-T2961 PolarHBondContact O-N 2.97Å; T2961-Q2964 PolarHBondContact O-N 3.13Å; T2961-N2965 VanDerWaalsContact O-CB 3.25Å; T2961-N2965 WeakPolarHBondContact O-CB 3.26Å; T2961-N2965 VanDerWaalsContact O-CG 3.28Å; T2961-N2965 PolarHBondContact O-N 3.22Å; T2961-N2965 PolarHBondContact O-ND2 3.02Å; T2961-L3193 HydrophobicContact CG2-CB 4.38Å
2962W83.3Confident68.1Low44 Ų4473.7 Ų73.717%0.16738%0.382CS..Hα-helixtrans-65.7-42.7177.5178.591.3000111.7I2914 H2915 L2920 Q2947 S2950 A2951 R2958 A2959 A2960 Q2964 N2965 R2966I2914-W2962 HydrophobicContact CG2-CH2 3.5Å; I2914-W2962 VanDerWaalsContact CG2-CH2 3.47Å; I2914-W2962 HydrophobicContact CG2-CZ2 4.35Å; I2914-W2962 HydrophobicContact CG2-CZ3 3.8Å; H2915-W2962 AromaticContact CE1-CH2 3.76Å; H2915-W2962 AromaticContact ND1-CH2 3.9Å; L2920-W2962 HydrophobicContact CD2-CE3 4.17Å; L2920-W2962 HydrophobicContact CD2-CZ3 4.25Å; Q2947-W2962 HydrophobicContact CB-CH2 4.22Å; Q2947-W2962 HydrophobicContact CB-CZ2 3.95Å; Q2947-W2962 HydrophobicContact CG-CZ2 4.2Å; Q2947-W2962 WeakPolarHBondContact O-CH2 3.13Å; Q2947-W2962 VanDerWaalsContact O-CZ2 3.28Å; Q2947-W2962 WeakPolarHBondContact O-CZ2 3.5Å; S2950-W2962 VanDerWaalsContact CB-NE1 3.3Å; A2951-W2962 HydrophobicContact CB-CD2 4.08Å; A2951-W2962 HydrophobicContact CB-CE3 3.86Å; A2951-W2962 HydrophobicContact CB-CG 4.48Å; A2951-W2962 HydrophobicContact CB-CH2 3.84Å; A2951-W2962 HydrophobicContact CB-CZ2 4.16Å; A2951-W2962 HydrophobicContact CB-CZ3 3.69Å; R2958-W2962 VanDerWaalsContact O-CB 3.28Å; R2958-W2962 WeakPolarHBondContact O-CB 3.34Å; R2958-W2962 PolarHBondContact O-N 3.22Å; A2959-W2962 WeakPolarHBondContact O-CB 3.29Å; A2959-W2962 PolarHBondContact O-N 3.13Å; A2960-W2962 VanDerWaalsContact C-N 3.29Å; A2960-W2962 PolarHBondContact O-N 3.35Å; W2962-Q2964 VanDerWaalsContact C-N 3.35Å; W2962-Q2964 PolarHBondContact O-N 3.46Å; W2962-N2965 PolarHBondContact O-N 2.92Å; W2962-R2966 VanDerWaalsContact CH2-NE 3.34Å; W2962-R2966 VanDerWaalsContact CZ2-CZ 3.47Å; W2962-R2966 VanDerWaalsContact CZ2-NE 3.29Å; W2962-R2966 WeakPolarHBondContact O-CG 3.11Å; W2962-R2966 PolarHBondContact O-N 3.06Å; W2962-R2966 VanDerWaalsContact O-N 3.15Å
2963L81.6Confident65.4Low38.4 Ų38.480 Ų8020%0.20140%0.401CS..Hα-helixtrans-61.1-43.7172.1-73.1173.2000112.2P2917 L2920 A2959 A2960 N2965 R2966P2917-L2963 HydrophobicContact CB-CD1 3.97Å; P2917-L2963 HydrophobicContact CG-CD1 4.28Å; L2920-L2963 HydrophobicContact CB-CD1 4.42Å; L2920-L2963 HydrophobicContact CD2-CD1 3.72Å; L2920-L2963 HydrophobicContact CD2-CD2 4.07Å; L2920-L2963 HydrophobicContact CD2-CG 3.74Å; A2959-L2963 WeakPolarHBondContact O-CG 3.43Å; A2959-L2963 PolarHBondContact O-N 3.08Å; A2960-L2963 PolarHBondContact O-N 3.19Å; L2963-N2965 VanDerWaalsContact C-N 3.31Å; L2963-N2965 PolarHBondContact O-N 2.78Å; L2963-R2966 PolarHBondContact O-N 3.26Å
2964Q79.3Confident62.8Low66.6 Ų66.685.3 Ų85.331%0.31142%0.424SS..Hα-helixtrans-65.2-36.3178.2-7317157.200113.2A2960 T2961 W2962 R2966 S3188 Q3189 I3190 G3191A2960-Q2964 VanDerWaalsContact C-NE2 3.34Å; A2960-Q2964 WeakPolarHBondContact O-CB 3.33Å; A2960-Q2964 VanDerWaalsContact O-CG 3.28Å; A2960-Q2964 WeakPolarHBondContact O-CG 3.4Å; A2960-Q2964 PolarHBondContact O-N 3.13Å; A2960-Q2964 VanDerWaalsContact O-N 3.13Å; A2960-Q2964 PolarHBondContact O-NE2 3.07Å; T2961-Q2964 PolarHBondContact O-N 3.13Å; W2962-Q2964 VanDerWaalsContact C-N 3.35Å; W2962-Q2964 PolarHBondContact O-N 3.46Å; Q2964-R2966 VanDerWaalsContact C-N 3.3Å; Q2964-R2966 PolarHBondContact O-N 3.26Å; Q2964-S3188 WeakPolarHBondContact CG-O 3.18Å; Q2964-Q3189 VanDerWaalsContact OE1-C 3.3Å; Q2964-Q3189 VanDerWaalsContact OE1-CA 3.26Å; Q2964-Q3189 VanDerWaalsContact OE1-CG 3.32Å; Q2964-I3190 VanDerWaalsContact NE2-N 3.14Å; Q2964-G3191 PolarHBondContact NE2-O 3.22Å; Q2964-G3191 VanDerWaalsContact NE2-O 3.14Å; Q2964-G3191 VanDerWaalsContact OE1-N 3.15Å; Q2964-G3191 PolarHBondContact OE1-O 2.98Å; Q2964-G3191 VanDerWaalsContact OE1-O 3.09Å
2965N76.1Confident60.2Low125.8 Ų125.888.8 Ų88.867%0.67345%0.454SS*.THydrogen-bonded Turntrans-79.6-6.5-177.9-73.9-14.5000113.5T2961 W2962 L2963T2961-N2965 VanDerWaalsContact O-CB 3.25Å; T2961-N2965 WeakPolarHBondContact O-CB 3.26Å; T2961-N2965 VanDerWaalsContact O-CG 3.28Å; T2961-N2965 PolarHBondContact O-N 3.22Å; T2961-N2965 PolarHBondContact O-ND2 3.02Å; W2962-N2965 PolarHBondContact O-N 2.92Å; L2963-N2965 VanDerWaalsContact C-N 3.31Å; L2963-N2965 PolarHBondContact O-N 2.78Å
2966R69.4Low57.8Low71.2 Ų71.296.1 Ų96.127%0.26948%0.482SS..SBendtrans-70.3132173.6-76.9-169.8160.9-122.8-14.9110.3H2915 Q2947 W2962 L2963 Q2964 L2968H2915-R2966 VanDerWaalsContact CE1-CZ 3.44Å; H2915-R2966 PolarHBondContact CE1-NH1 3.08Å; H2915-R2966 PolarHBondContact CE1-NH2 3.09Å; H2915-R2966 PolarHBondContact NE2-NH1 3.33Å; H2915-R2966 VanDerWaalsContact NE2-NH1 3.15Å; Q2947-R2966 VanDerWaalsContact CD-NH2 3.3Å; Q2947-R2966 VanDerWaalsContact CG-NH2 3.33Å; Q2947-R2966 VanDerWaalsContact OE1-CZ 3.28Å; Q2947-R2966 VanDerWaalsContact OE1-NH2 3.14Å; W2962-R2966 VanDerWaalsContact CH2-NE 3.34Å; W2962-R2966 VanDerWaalsContact CZ2-CZ 3.47Å; W2962-R2966 VanDerWaalsContact CZ2-NE 3.29Å; W2962-R2966 WeakPolarHBondContact O-CG 3.11Å; W2962-R2966 PolarHBondContact O-N 3.06Å; W2962-R2966 VanDerWaalsContact O-N 3.15Å; L2963-R2966 PolarHBondContact O-N 3.26Å; Q2964-R2966 VanDerWaalsContact C-N 3.3Å; Q2964-R2966 PolarHBondContact O-N 3.26Å; R2966-L2968 PolarHBondContact O-N 3.07Å; R2966-L2968 VanDerWaalsContact O-N 3.15Å
2967P53.1Low55.5Low113.2 Ų113.298.7 Ų98.774%0.73550%0.501SS*.  trans-59.5124.6163.226.8-31.7000107.4Q2969P2967-Q2969 VanDerWaalsContact C-N 3.28Å; P2967-Q2969 PolarHBondContact O-N 2.95Å
2968L45.5Very low53.1Low147.8 Ų147.8105.1 Ų105.177%0.77453%0.532SS*.  trans-56.8103.6174-71.6172.4000108.2R2966 K2970 I2997R2966-L2968 PolarHBondContact O-N 3.07Å; R2966-L2968 VanDerWaalsContact O-N 3.15Å; L2968-K2970 VanDerWaalsContact C-N 3.33Å; L2968-K2970 PolarHBondContact O-N 3.3Å; L2968-I2997 HydrophobicContact CD1-CD1 4.46Å; L2968-I2997 HydrophobicContact CD1-CG1 4.39Å; L2968-I2997 HydrophobicContact CD2-CD1 3.8Å; L2968-I2997 HydrophobicContact CD2-CG1 4.27Å
2969Q39.2Very low50.5Low171.6 Ų171.6105.8 Ų105.880%0.80256%0.555SS**  trans-63.296.2170.1-77.9-173.5-22.300107.2P2967 R2971P2967-Q2969 VanDerWaalsContact C-N 3.28Å; P2967-Q2969 PolarHBondContact O-N 2.95Å; Q2969-R2971 VanDerWaalsContact C-N 3.28Å; Q2969-R2971 PolarHBondContact O-N 3.12Å
2970K32.8Very low48Very low167 Ų167116 Ų11673%0.72659%0.594SS**  trans-56.2102.1163.4-82.8-173.5172.6-175.60106.7L2968 T2972 S2993 Y2995L2968-K2970 VanDerWaalsContact C-N 3.33Å; L2968-K2970 PolarHBondContact O-N 3.3Å; K2970-T2972 VanDerWaalsContact C-N 3.26Å; K2970-T2972 HydrophobicContact CB-CG2 3.87Å; K2970-T2972 PolarHBondContact O-N 3.14Å; K2970-T2972 PolarHBondContact O-OG1 2.98Å; K2970-S2993 PolarHBondContact NZ-O 3.18Å; K2970-Y2995 HydrophobicContact CD-CD2 4.28Å
2971R31.1Very low45.5Very low182.2 Ų182.2120.9 Ų120.969%0.68863%0.627SS**  trans-65.782.4170.1-151176.8-174.7179.32.5107.6Q2969 Y2973Q2969-R2971 VanDerWaalsContact C-N 3.28Å; Q2969-R2971 PolarHBondContact O-N 3.12Å; R2971-Y2973 VanDerWaalsContact C-N 3.3Å; R2971-Y2973 HydrophobicContact CB-CD2 4.23Å; R2971-Y2973 HydrophobicContact CB-CE2 4.22Å; R2971-Y2973 HydrophobicContact CG-CD2 3.97Å; R2971-Y2973 HydrophobicContact CG-CE1 4.43Å; R2971-Y2973 HydrophobicContact CG-CE2 3.84Å; R2971-Y2973 PolarHBondContact NE-OH 3.05Å; R2971-Y2973 PolarHBondContact NH1-OH 3.13Å; R2971-Y2973 PolarHBondContact NH2-OH 3.06Å; R2971-Y2973 WeakPolarHBondContact O-CD2 3.33Å; R2971-Y2973 PolarHBondContact O-N 3.21Å; R2971-Y2973 VanDerWaalsContact O-N 3.1Å
2972T26.3Very low43.1Very low120.6 Ų120.6131.3 Ų131.374%0.7466%0.663SS**  trans-77.271.1-179.8-0.40000109.2K2970 L2974K2970-T2972 VanDerWaalsContact C-N 3.26Å; K2970-T2972 HydrophobicContact CB-CG2 3.87Å; K2970-T2972 PolarHBondContact O-N 3.14Å; K2970-T2972 PolarHBondContact O-OG1 2.98Å; T2972-L2974 PolarHBondContact O-N 3.04Å; T2972-L2974 VanDerWaalsContact O-N 3.15Å
2973Y28.8Very low40.4Very low169.4 Ų169.4134.2 Ų134.266%0.66470%0.696SS**  trans-79.4109.4158.8-70.5-69.8000108R2971 S2975R2971-Y2973 VanDerWaalsContact C-N 3.3Å; R2971-Y2973 HydrophobicContact CB-CD2 4.23Å; R2971-Y2973 HydrophobicContact CB-CE2 4.22Å; R2971-Y2973 HydrophobicContact CG-CD2 3.97Å; R2971-Y2973 HydrophobicContact CG-CE1 4.43Å; R2971-Y2973 HydrophobicContact CG-CE2 3.84Å; R2971-Y2973 PolarHBondContact NE-OH 3.05Å; R2971-Y2973 PolarHBondContact NH1-OH 3.13Å; R2971-Y2973 PolarHBondContact NH2-OH 3.06Å; R2971-Y2973 WeakPolarHBondContact O-CD2 3.33Å; R2971-Y2973 PolarHBondContact O-N 3.21Å; R2971-Y2973 VanDerWaalsContact O-N 3.1Å; Y2973-S2975 PolarHBondContact O-N 3.38Å
2974L28.8Very low37.9Very low148 Ų148135.9 Ų135.978%0.77572%0.724SS**  trans59103162.4-70.8140000114T2972 H2976T2972-L2974 PolarHBondContact O-N 3.04Å; T2972-L2974 VanDerWaalsContact O-N 3.15Å; L2974-H2976 PolarHBondContact O-N 2.98Å
2975S28.7Very low35.5Very low114.6 Ų114.6138.7 Ų138.780%0.80175%0.751SS**  trans-129.4100.4145.577.20000111.5Y2973 S2977Y2973-S2975 PolarHBondContact O-N 3.38Å; S2975-S2977 PolarHBondContact O-N 3.48Å
2976H28.3Very low33.3Very low175.2 Ų175.2137.4 Ų137.481%0.81176%0.757SS**  trans-73.5125.7164.7-93.9-75.1000110.1L2974 D2978L2974-H2976 PolarHBondContact O-N 2.98Å; H2976-D2978 IonicContact CE1-OD2 3.85Å; H2976-D2978 IonicContact CG-OD2 3.57Å; H2976-D2978 IonicContact ND1-OD2 2.77Å; H2976-D2978 PolarHBondContact ND1-OD2 3.05Å; H2976-D2978 PolarHBondContact O-N 3.2Å
2977S28.7Very low31.3Very low102.8 Ų102.8137.5 Ų137.572%0.71978%0.781SS**  trans-17190.9149.465.10000113S2975 G2979S2975-S2977 PolarHBondContact O-N 3.48Å; S2977-G2979 PolarHBondContact O-N 3.06Å
2978D28.9Very low30.1Very low154.4 Ų154.4138.3 Ų138.383%0.82679%0.789SS**  trans-123.5133.3155.6-79.1-42.5000112.5H2976 Y2980H2976-D2978 IonicContact CE1-OD2 3.85Å; H2976-D2978 IonicContact CG-OD2 3.57Å; H2976-D2978 IonicContact ND1-OD2 2.77Å; H2976-D2978 PolarHBondContact ND1-OD2 3.05Å; H2976-D2978 PolarHBondContact O-N 3.2Å; D2978-Y2980 PolarHBondContact O-N 3.49Å
2979G28Very low29.4Very low62.6 Ų62.6136 Ų13665%0.64579%0.792SS**  trans-163.1125.6167.600000114.6S2977 S2981S2977-G2979 PolarHBondContact O-N 3.06Å; G2979-S2981 PolarHBondContact O-N 3.3Å
2980Y29.7Very low28.9Very low216.6 Ų216.6133.7 Ų133.785%0.84979%0.794SS**  trans56.294161-64.3-77.9000116.7D2978D2978-Y2980 PolarHBondContact O-N 3.49Å
2981S27.4Very low28.6Very low115.4 Ų115.4129 Ų12981%0.80779%0.793SS**  trans76124.3131.4-61.10000118.4G2979G2979-S2981 PolarHBondContact O-N 3.3Å
2982R29.3Very low28.4Very low249 Ų249131.8 Ų131.894%0.9480%0.803SS**  trans111.2125.7149.1-92.8179173.3-154.5-2.8116.6
2983A27.3Very low28.4Very low104.8 Ų104.8129.7 Ų129.787%0.86679%0.794SS**  trans-70.8138.1156.600000115
2984G28.5Very low28.3Very low75.8 Ų75.8126.8 Ų126.878%0.78180%0.798SS**  trans153.1107170.800000111.9
2985S30.1Very low28.2Very low124.4 Ų124.4128.6 Ų128.687%0.8780%0.796SS**  32.7125.5129.7-166.30000114.7
2986A29.1Very low28.1Very low99 Ų99133.4 Ų133.482%0.81880%0.796SS**  -174152.499.900000113.3
2987G28.1Very low28.1Very low73.8 Ų73.8131.2 Ų131.276%0.76179%0.789SS**  trans126.6102.1149.200000115.9A2989G2987-A2989 PolarHBondContact O-N 2.89Å
2988S28Very low28Very low129.2 Ų129.2132.7 Ų132.790%0.90379%0.789SS**  trans12.4118.9163.2-105.40000116.6
2989A30.3Very low28Very low100.4 Ų100.4129.4 Ų129.483%0.8377%0.77SS**  trans-154.8131145.500000110G2987 G2991G2987-A2989 PolarHBondContact O-N 2.89Å; A2989-G2991 PolarHBondContact O-N 2.98Å
2990S27.9Very low28.1Very low122.8 Ų122.8131.6 Ų131.686%0.85977%0.773SS**  trans-105.2129177.6167.60000111.1
2991G28.1Very low28.3Very low67 Ų67124.5 Ų124.569%0.69176%0.755SS**  trans-147.3105.817500000112A2989 S2993 H3148A2989-G2991 PolarHBondContact O-N 2.98Å; G2991-S2993 PolarHBondContact O-N 3.09Å; G2991-H3148 VanDerWaalsContact CA-CE1 3.47Å; G2991-H3148 WeakPolarHBondContact CA-CE1 3.17Å
2992R26Very low28.5Very low241.8 Ų241.8122.1 Ų122.191%0.91274%0.735SS**  trans-87.3112.4174.9-79.7177.9151.8174.6-4.1110.9S2994 H3148R2992-S2994 VanDerWaalsContact C-N 3.35Å; R2992-S2994 PolarHBondContact O-N 3.27Å; R2992-H3148 PolarHBondContact O-NE2 3.37Å
2993S26.4Very low28.7Very low77 Ų77115.1 Ų115.154%0.53872%0.717SS.*  trans-91.8107.4164.9-169.90000112.7K2970 G2991 Y2995 H3148 D3184K2970-S2993 PolarHBondContact NZ-O 3.18Å; G2991-S2993 PolarHBondContact O-N 3.09Å; S2993-Y2995 PolarHBondContact O-N 2.91Å; S2993-Y2995 WeakPolarHBondContact OG-CE2 3.22Å; S2993-Y2995 PolarHBondContact OG-OH 3.41Å; S2993-H3148 PolarHBondContact N-CE1 3.23Å; S2993-D3184 WeakPolarHBondContact CB-OD2 3.48Å
2994S27.3Very low28.9Very low107.2 Ų107.2113.1 Ų113.175%0.7570%0.7SS**  trans-101.194169.3-67.90000110.6R2992 R2996R2992-S2994 VanDerWaalsContact C-N 3.35Å; R2992-S2994 PolarHBondContact O-N 3.27Å; S2994-R2996 PolarHBondContact O-N 3.05Å; S2994-R2996 VanDerWaalsContact O-N 3.12Å
2995Y25.8Very low29.2Very low186.2 Ų186.2113.3 Ų113.373%0.7369%0.69SS**  trans-7991.6169.4-70.6-77.1000110.9K2970 S2993 I2997K2970-Y2995 HydrophobicContact CD-CD2 4.28Å; S2993-Y2995 PolarHBondContact O-N 2.91Å; S2993-Y2995 WeakPolarHBondContact OG-CE2 3.22Å; S2993-Y2995 PolarHBondContact OG-OH 3.41Å; Y2995-I2997 HydrophobicContact CD1-CD1 4.39Å; Y2995-I2997 PolarHBondContact O-N 3.3Å; Y2995-I2997 VanDerWaalsContact O-N 3.13Å
2996R27.2Very low29.3Very low215.6 Ų215.6112 Ų11281%0.81467%0.672SS**  trans-76.1116.6165-67.6-171.9-172.9-145.81.4109S2994 L2998S2994-R2996 PolarHBondContact O-N 3.05Å; S2994-R2996 VanDerWaalsContact O-N 3.12Å; R2996-L2998 HydrophobicContact CB-CD1 4.22Å; R2996-L2998 HydrophobicContact CB-CG 4.38Å; R2996-L2998 PolarHBondContact O-N 3.06Å
2997I27.8Very low29.6Very low128.4 Ų128.4111.6 Ų111.666%0.65866%0.656SS**  trans-74.8103.2171-56.2173.7000108L2968 Y2995 L2999L2968-I2997 HydrophobicContact CD1-CD1 4.46Å; L2968-I2997 HydrophobicContact CD1-CG1 4.39Å; L2968-I2997 HydrophobicContact CD2-CD1 3.8Å; L2968-I2997 HydrophobicContact CD2-CG1 4.27Å; Y2995-I2997 HydrophobicContact CD1-CD1 4.39Å; Y2995-I2997 PolarHBondContact O-N 3.3Å; Y2995-I2997 VanDerWaalsContact O-N 3.13Å; I2997-L2999 VanDerWaalsContact C-N 3.28Å; I2997-L2999 HydrophobicContact CB-CD1 4.24Å; I2997-L2999 HydrophobicContact CG2-CD1 4.04Å; I2997-L2999 HydrophobicContact CG2-CG 4.36Å; I2997-L2999 PolarHBondContact O-N 3.05Å; I2997-L2999 VanDerWaalsContact O-N 3.15Å
2998L27.7Very low30Very low135.8 Ų135.8110.6 Ų110.671%0.71164%0.637SS**  trans-98.1104.4172.1-76.2169.6000108.5R2996 P3000 S3001 V3002R2996-L2998 HydrophobicContact CB-CD1 4.22Å; R2996-L2998 HydrophobicContact CB-CG 4.38Å; R2996-L2998 PolarHBondContact O-N 3.06Å; L2998-P3000 VanDerWaalsContact C-N 3.26Å; L2998-S3001 VanDerWaalsContact CB-OG 3.27Å; L2998-S3001 WeakPolarHBondContact CB-OG 3.34Å; L2998-S3001 PolarHBondContact O-N 2.91Å; L2998-S3001 PolarHBondContact O-OG 3.33Å; L2998-V3002 HydrophobicContact CB-CG2 3.89Å; L2998-V3002 HydrophobicContact CD1-CG2 4.12Å; L2998-V3002 HydrophobicContact CG-CG2 4.42Å; L2998-V3002 PolarHBondContact O-N 3.46Å
2999L28.7Very low30.3Very low85 Ų85107.1 Ų107.145%0.44562%0.616SS.*  trans-88.3135.7164.6-98.373.5000108.7D2916 P2917 I2997 S3001 V3002 N3003D2916-L2999 HydrophobicContact CB-CD2 4.15Å; P2917-L2999 HydrophobicContact CG-CD1 4.15Å; I2997-L2999 VanDerWaalsContact C-N 3.28Å; I2997-L2999 HydrophobicContact CB-CD1 4.24Å; I2997-L2999 HydrophobicContact CG2-CD1 4.04Å; I2997-L2999 HydrophobicContact CG2-CG 4.36Å; I2997-L2999 PolarHBondContact O-N 3.05Å; I2997-L2999 VanDerWaalsContact O-N 3.15Å; L2999-S3001 WeakPolarHBondContact CD2-OG 3.47Å; L2999-S3001 WeakPolarHBondContact CG-OG 3.43Å; L2999-S3001 PolarHBondContact O-N 3.31Å; L2999-V3002 HydrophobicContact CB-CB 3.72Å; L2999-V3002 HydrophobicContact CB-CG2 3.62Å; L2999-V3002 HydrophobicContact CD1-CB 4.08Å; L2999-V3002 HydrophobicContact CD1-CG2 3.75Å; L2999-V3002 HydrophobicContact CD2-CB 4.19Å; L2999-V3002 HydrophobicContact CD2-CG2 3.3Å; L2999-V3002 HydrophobicContact CG-CG2 4.09Å; L2999-V3002 PolarHBondContact O-N 3.27Å; L2999-N3003 PolarHBondContact O-N 2.91Å
3000P28.8Very low30.5Very low108.8 Ų108.8108 Ų10871%0.70661%0.606SS**Hα-helixtrans-74.214.6161.1-10.821.3000114.3P2406 L2998 V3002 N3003 A3004P2406-P3000 HydrophobicContact CG-CG 4.32Å; L2998-P3000 VanDerWaalsContact C-N 3.26Å; P3000-V3002 VanDerWaalsContact C-N 3.3Å; P3000-V3002 PolarHBondContact O-N 3.04Å; P3000-V3002 VanDerWaalsContact O-N 3.16Å; P3000-N3003 WeakPolarHBondContact O-CB 3.35Å; P3000-N3003 PolarHBondContact O-N 3.02Å; P3000-A3004 PolarHBondContact O-N 2.89Å
3001S33.4Very low30.8Very low67 Ų67107.1 Ų107.147%0.46959%0.591SS.*Hα-helixtrans-76.1-16.3-179.165.30000114.1L2998 L2999 N3003 A3004 S3005L2998-S3001 VanDerWaalsContact CB-OG 3.27Å; L2998-S3001 WeakPolarHBondContact CB-OG 3.34Å; L2998-S3001 PolarHBondContact O-N 2.91Å; L2998-S3001 PolarHBondContact O-OG 3.33Å; L2999-S3001 WeakPolarHBondContact CD2-OG 3.47Å; L2999-S3001 WeakPolarHBondContact CG-OG 3.43Å; L2999-S3001 PolarHBondContact O-N 3.31Å; S3001-N3003 VanDerWaalsContact C-N 3.3Å; S3001-N3003 PolarHBondContact O-N 3.25Å; S3001-A3004 PolarHBondContact O-N 2.99Å; S3001-S3005 WeakPolarHBondContact O-CB 3.29Å; S3001-S3005 PolarHBondContact O-N 2.99Å
3002V33Very low31.1Very low64.25 Ų64.25109.5 Ų109.539%0.38959%0.588SS.*Hα-helixtrans-64.2-35.2177.6-179.50000111.1L2998 L2999 P3000 A3004 S3005 L3006L2998-V3002 HydrophobicContact CB-CG2 3.89Å; L2998-V3002 HydrophobicContact CD1-CG2 4.12Å; L2998-V3002 HydrophobicContact CG-CG2 4.42Å; L2998-V3002 PolarHBondContact O-N 3.46Å; L2999-V3002 HydrophobicContact CB-CB 3.72Å; L2999-V3002 HydrophobicContact CB-CG2 3.62Å; L2999-V3002 HydrophobicContact CD1-CB 4.08Å; L2999-V3002 HydrophobicContact CD1-CG2 3.75Å; L2999-V3002 HydrophobicContact CD2-CB 4.19Å; L2999-V3002 HydrophobicContact CD2-CG2 3.3Å; L2999-V3002 HydrophobicContact CG-CG2 4.09Å; L2999-V3002 PolarHBondContact O-N 3.27Å; P3000-V3002 VanDerWaalsContact C-N 3.3Å; P3000-V3002 PolarHBondContact O-N 3.04Å; P3000-V3002 VanDerWaalsContact O-N 3.16Å; V3002-A3004 VanDerWaalsContact C-N 3.34Å; V3002-A3004 PolarHBondContact O-N 3.39Å; V3002-A3004 VanDerWaalsContact O-N 3.09Å; V3002-S3005 CarbonylContact O-C 3.56Å; V3002-S3005 PolarHBondContact O-N 3.24Å; V3002-L3006 HydrophobicContact CG1-CB 4.4Å; V3002-L3006 HydrophobicContact CG1-CD1 4.07Å; V3002-L3006 WeakPolarHBondContact O-CB 3.38Å; V3002-L3006 PolarHBondContact O-N 3.1Å
3003N32.2Very low31.4Very low103.75 Ų103.75104.2 Ų104.256%0.55558%0.578SS**Hα-helixtrans-61.6-38.5179.1-721.6000112.3L2999 P3000 S3001 S3005 L3006 I3007L2999-N3003 PolarHBondContact O-N 2.91Å; P3000-N3003 WeakPolarHBondContact O-CB 3.35Å; P3000-N3003 PolarHBondContact O-N 3.02Å; S3001-N3003 VanDerWaalsContact C-N 3.3Å; S3001-N3003 PolarHBondContact O-N 3.25Å; N3003-S3005 VanDerWaalsContact C-N 3.3Å; N3003-S3005 PolarHBondContact O-N 3.36Å; N3003-L3006 PolarHBondContact O-N 2.93Å; N3003-I3007 VanDerWaalsContact O-CB 3.23Å; N3003-I3007 WeakPolarHBondContact O-CB 3.35Å; N3003-I3007 VanDerWaalsContact O-CD1 3.28Å; N3003-I3007 WeakPolarHBondContact O-CD1 3.45Å; N3003-I3007 WeakPolarHBondContact O-CG1 3.37Å; N3003-I3007 PolarHBondContact O-N 3.39Å
3004A33.1Very low31.7Very low61.25 Ų61.25105.8 Ų105.851%0.50658%0.584SS.*Hα-helixtrans-67.1-40175.200000112.6P3000 S3001 V3002 S3008P3000-A3004 PolarHBondContact O-N 2.89Å; S3001-A3004 PolarHBondContact O-N 2.99Å; V3002-A3004 VanDerWaalsContact C-N 3.34Å; V3002-A3004 PolarHBondContact O-N 3.39Å; V3002-A3004 VanDerWaalsContact O-N 3.09Å; A3004-S3008 VanDerWaalsContact O-CB 3.24Å; A3004-S3008 WeakPolarHBondContact O-CB 3.37Å; A3004-S3008 PolarHBondContact O-N 3.03Å
3005S34.1Very low31.8Very low81.25 Ų81.25107.5 Ų107.557%0.56859%0.585SS**Hα-helixtrans-72.8-34.3179.9-176.10000113.2S3001 V3002 N3003 S3008 A3009S3001-S3005 WeakPolarHBondContact O-CB 3.29Å; S3001-S3005 PolarHBondContact O-N 2.99Å; V3002-S3005 CarbonylContact O-C 3.56Å; V3002-S3005 PolarHBondContact O-N 3.24Å; N3003-S3005 VanDerWaalsContact C-N 3.3Å; N3003-S3005 PolarHBondContact O-N 3.36Å; S3005-S3008 PolarHBondContact O-N 3.2Å; S3005-A3009 VanDerWaalsContact O-CB 3.29Å; S3005-A3009 WeakPolarHBondContact O-CB 3.36Å; S3005-A3009 PolarHBondContact O-N 3.32Å
3006L32.8Very low31.9Very low96.5 Ų96.5102.9 Ų102.951%0.50559%0.586SS.*Hα-helixtrans-76.9-37-179.7-154158.1000110.8V3002 N3003 S3008 A3009 L3010V3002-L3006 HydrophobicContact CG1-CB 4.4Å; V3002-L3006 HydrophobicContact CG1-CD1 4.07Å; V3002-L3006 WeakPolarHBondContact O-CB 3.38Å; V3002-L3006 PolarHBondContact O-N 3.1Å; N3003-L3006 PolarHBondContact O-N 2.93Å; L3006-S3008 VanDerWaalsContact C-N 3.35Å; L3006-A3009 PolarHBondContact O-N 3.34Å; L3006-L3010 HydrophobicContact CD2-CD1 3.61Å; L3006-L3010 VanDerWaalsContact CD2-CD1 3.41Å; L3006-L3010 HydrophobicContact CD2-CG 4.03Å; L3006-L3010 WeakPolarHBondContact O-CB 3.42Å; L3006-L3010 WeakPolarHBondContact O-CD1 3.41Å; L3006-L3010 VanDerWaalsContact O-CG 3.31Å; L3006-L3010 WeakPolarHBondContact O-CG 3.34Å; L3006-L3010 PolarHBondContact O-N 3.18Å; L3006-L3010 VanDerWaalsContact O-N 3.1Å
3007I35.5Very low32Very low91.5 Ų91.597.9 Ų97.947%0.46958%0.583SS.*Hα-helixtrans-64-43.7169.7-68169.3000110.3N3003 A3009 L3010 L3011 L3053N3003-I3007 VanDerWaalsContact O-CB 3.23Å; N3003-I3007 WeakPolarHBondContact O-CB 3.35Å; N3003-I3007 VanDerWaalsContact O-CD1 3.28Å; N3003-I3007 WeakPolarHBondContact O-CD1 3.45Å; N3003-I3007 WeakPolarHBondContact O-CG1 3.37Å; N3003-I3007 PolarHBondContact O-N 3.39Å; I3007-A3009 VanDerWaalsContact C-N 3.33Å; I3007-A3009 PolarHBondContact O-N 3.2Å; I3007-L3010 PolarHBondContact O-N 3.02Å; I3007-L3011 HydrophobicContact CG2-CD1 3.76Å; I3007-L3011 HydrophobicContact CG2-CG 4.31Å; I3007-L3011 WeakPolarHBondContact O-CB 3.34Å; I3007-L3011 WeakPolarHBondContact O-CD1 3.26Å; I3007-L3011 VanDerWaalsContact O-CG 3.28Å; I3007-L3011 WeakPolarHBondContact O-CG 3.29Å; I3007-L3011 PolarHBondContact O-N 3.02Å; I3007-L3011 VanDerWaalsContact O-N 3.14Å; I3007-L3053 HydrophobicContact CD1-CD2 4.16Å
3008S35.1Very low32.2Very low52.25 Ų52.2599.2 Ų99.237%0.36559%0.592SS.*Hα-helixtrans-66-33.9175.4-169.20000112.9A3004 S3005 L3006 L3011 N3012A3004-S3008 VanDerWaalsContact O-CB 3.24Å; A3004-S3008 WeakPolarHBondContact O-CB 3.37Å; A3004-S3008 PolarHBondContact O-N 3.03Å; S3005-S3008 PolarHBondContact O-N 3.2Å; L3006-S3008 VanDerWaalsContact C-N 3.35Å; S3008-L3011 PolarHBondContact O-N 3.49Å; S3008-N3012 VanDerWaalsContact O-CB 3.32Å; S3008-N3012 WeakPolarHBondContact O-CB 3.31Å; S3008-N3012 PolarHBondContact O-N 3.1Å; S3008-N3012 VanDerWaalsContact O-N 3.1Å; S3008-N3012 PolarHBondContact O-ND2 3.21Å; S3008-N3012 VanDerWaalsContact O-ND2 3.15Å; S3008-N3012 PolarHBondContact OG-ND2 3.01Å
3009A34.5Very low32.3Very low56.25 Ų56.2599.8 Ų99.847%0.46560%0.596SS.*Hα-helixtrans-71.1-36.7174.600000112.7S3005 L3006 I3007 N3012 N3013S3005-A3009 VanDerWaalsContact O-CB 3.29Å; S3005-A3009 WeakPolarHBondContact O-CB 3.36Å; S3005-A3009 PolarHBondContact O-N 3.32Å; L3006-A3009 PolarHBondContact O-N 3.34Å; I3007-A3009 VanDerWaalsContact C-N 3.33Å; I3007-A3009 PolarHBondContact O-N 3.2Å; A3009-N3012 PolarHBondContact O-N 2.85Å; A3009-N3013 VanDerWaalsContact O-CB 3.27Å; A3009-N3013 WeakPolarHBondContact O-CB 3.41Å; A3009-N3013 PolarHBondContact O-N 3.06Å
3010L34.2Very low32.5Very low118.5 Ų118.5103.1 Ų103.162%0.6261%0.614SS**Hα-helixtrans-68.6-39.5173.7-79.8162.9000112.1L3006 I3007 N3012 N3013 T3014L3006-L3010 HydrophobicContact CD2-CD1 3.61Å; L3006-L3010 VanDerWaalsContact CD2-CD1 3.41Å; L3006-L3010 HydrophobicContact CD2-CG 4.03Å; L3006-L3010 WeakPolarHBondContact O-CB 3.42Å; L3006-L3010 WeakPolarHBondContact O-CD1 3.41Å; L3006-L3010 VanDerWaalsContact O-CG 3.31Å; L3006-L3010 WeakPolarHBondContact O-CG 3.34Å; L3006-L3010 PolarHBondContact O-N 3.18Å; L3006-L3010 VanDerWaalsContact O-N 3.1Å; I3007-L3010 PolarHBondContact O-N 3.02Å; L3010-N3012 VanDerWaalsContact C-N 3.35Å; L3010-N3012 PolarHBondContact O-N 2.88Å; L3010-N3013 PolarHBondContact O-N 3.3Å; L3010-T3014 PolarHBondContact O-OG1 2.76Å
3011L34.4Very low32.6Very low104.5 Ų104.5104.9 Ų104.955%0.54762%0.618SS.*Hα-helixtrans-73.9-28.1178-72.5168000113.6I3007 S3008 N3013 T3014 N3015 I3051I3007-L3011 HydrophobicContact CG2-CD1 3.76Å; I3007-L3011 HydrophobicContact CG2-CG 4.31Å; I3007-L3011 WeakPolarHBondContact O-CB 3.34Å; I3007-L3011 WeakPolarHBondContact O-CD1 3.26Å; I3007-L3011 VanDerWaalsContact O-CG 3.28Å; I3007-L3011 WeakPolarHBondContact O-CG 3.29Å; I3007-L3011 PolarHBondContact O-N 3.02Å; I3007-L3011 VanDerWaalsContact O-N 3.14Å; S3008-L3011 PolarHBondContact O-N 3.49Å; L3011-N3013 VanDerWaalsContact C-N 3.34Å; L3011-N3013 PolarHBondContact O-N 3.03Å; L3011-T3014 PolarHBondContact O-OG1 3Å; L3011-T3014 VanDerWaalsContact O-OG1 3.08Å; L3011-N3015 PolarHBondContact O-ND2 2.95Å; L3011-I3051 HydrophobicContact CD2-CD1 3.66Å
3012N34.1Very low32.5Very low116.25 Ų116.25109 Ų10962%0.62263%0.634SS**Hα-helixtrans-87-7.3179.1-76.6-40.6000114S3008 A3009 L3010 T3014S3008-N3012 VanDerWaalsContact O-CB 3.32Å; S3008-N3012 WeakPolarHBondContact O-CB 3.31Å; S3008-N3012 PolarHBondContact O-N 3.1Å; S3008-N3012 VanDerWaalsContact O-N 3.1Å; S3008-N3012 PolarHBondContact O-ND2 3.21Å; S3008-N3012 VanDerWaalsContact O-ND2 3.15Å; S3008-N3012 PolarHBondContact OG-ND2 3.01Å; A3009-N3012 PolarHBondContact O-N 2.85Å; L3010-N3012 VanDerWaalsContact C-N 3.35Å; L3010-N3012 PolarHBondContact O-N 2.88Å; N3012-T3014 VanDerWaalsContact C-N 3.3Å; N3012-T3014 PolarHBondContact O-N 3.49Å
3013N33.3Very low32.2Very low131.5 Ų131.5111.8 Ų111.870%0.70365%0.652SS**SBendtrans-94.95.7-178.2-129.15.9000114.3A3009 L3010 L3011A3009-N3013 VanDerWaalsContact O-CB 3.27Å; A3009-N3013 WeakPolarHBondContact O-CB 3.41Å; A3009-N3013 PolarHBondContact O-N 3.06Å; L3010-N3013 PolarHBondContact O-N 3.3Å; L3011-N3013 VanDerWaalsContact C-N 3.34Å; L3011-N3013 PolarHBondContact O-N 3.03Å
3014T32.3Very low32.1Very low109.75 Ų109.75114.5 Ų114.567%0.67366%0.664SS**SBendtrans-89.712.4173.948.30000112.7L3010 L3011 N3012 A3016L3010-T3014 PolarHBondContact O-OG1 2.76Å; L3011-T3014 PolarHBondContact O-OG1 3Å; L3011-T3014 VanDerWaalsContact O-OG1 3.08Å; N3012-T3014 VanDerWaalsContact C-N 3.3Å; N3012-T3014 PolarHBondContact O-N 3.49Å; T3014-A3016 PolarHBondContact O-N 3.14Å
3015N29.5Very low31.9Very low143.75 Ų143.75117.5 Ų117.577%0.76968%0.677SS**  trans-96.250.9-174.3-75.4-56.4000113.9L3011L3011-N3015 PolarHBondContact O-ND2 2.95Å
3016A28.5Very low31.6Very low90 Ų90117.8 Ų117.874%0.74468%0.684SS**  trans-120.187.9177.300000112.9T3014T3014-A3016 PolarHBondContact O-N 3.14Å
3017S29.5Very low31.4Very low109 Ų109119 Ų11976%0.76270%0.696SS**  trans-167.586.7169.7-174.10000113.5
3018N30.8Very low31Very low155.5 Ų155.5121 Ų12183%0.83271%0.712SS**  trans-163.3102.4156.9-97.9-21.1000113.2
3019N30.3Very low30.9Very low148.5 Ų148.5122.9 Ų122.979%0.79473%0.731SS**  trans-166.2109.8154.3-80.3-31.7000111.8
3020N33.8Very low30.6Very low154.75 Ų154.75125.7 Ų125.783%0.82874%0.743SS**  trans170.9108.7140.9-80.9-30.6000113N3022N3020-N3022 PolarHBondContact O-N 2.75Å
3021N30.6Very low30.5Very low146.25 Ų146.25126.3 Ų126.378%0.78275%0.746SS**  trans-22.2133.1158.4-56.7-31000116.1
3022N31.5Very low30.3Very low154.25 Ų154.25127.7 Ų127.783%0.82576%0.755SS**  trans-167.7132.5137.1-85.5-23.9000115.4N3020N3020-N3022 PolarHBondContact O-N 2.75Å
3023T27.1Very low30.1Very low123.5 Ų123.5128.8 Ų128.876%0.75876%0.759SS**  trans-99.2139.115750.70000115.3
3024I29.8Very low29.9Very low159 Ų159128.3 Ų128.382%0.81576%0.761SS**  trans165.1115.6148.2-76.8159.8000111.7
3025T27.4Very low29.7Very low124.75 Ų124.75127.4 Ų127.477%0.76576%0.759SS**  trans16.4125.2149.856.30000117.8
3026A29.2Very low29.7Very low87.5 Ų87.5127.9 Ų127.972%0.72376%0.762SS**  trans132.9129.8134.400000114.8
3027T27.1Very low29.6Very low121.25 Ų121.25127.8 Ų127.874%0.74476%0.761SS**  96.8133.368.655.90000115.2
3028T29Very low29.6Very low133.5 Ų133.5130.2 Ų130.282%0.81976%0.764SS**  trans96137.9131.940.40000118.4
3029A31.6Very low29.4Very low93.25 Ų93.25129.6 Ų129.677%0.77176%0.761SS**  97.7141.5120.800000117.9
3030T28.5Very low29.4Very low115 Ų115130.5 Ų130.571%0.70677%0.766SS**  -148.2165.5-94.839.80000109.8
3031N31.4Very low29Very low130 Ų130126.4 Ų126.470%0.69576%0.761SS**  trans80.7121.4152.2-56.4-13.6000118.5
3032N30.2Very low28.8Very low134 Ų134127 Ų12772%0.71776%0.764SS**  143.7152.364.1-86-18.7000116.8
3033I30.2Very low28.5Very low140 Ų140130 Ų13072%0.71876%0.763SS**  104.9108.1127.4-84.6158.7000117.1
3034T28.9Very low28.4Very low119.75 Ų119.75128.8 Ų128.874%0.73576%0.76SS**  52.2135.3125.964.40000122.3
3035S28.9Very low28.2Very low92.5 Ų92.5128.4 Ų128.465%0.64776%0.758SS**  125.9137.49961.30000118.5
3036N28.6Very low28.1Very low153.5 Ų153.5129.3 Ų129.382%0.82176%0.758SS**  trans81.4111.7143-61.5-11.3000120.9
3037A27.6Very low28.1Very low87.25 Ų87.25129.9 Ų129.972%0.72176%0.757SS**  97.3133.7103.400000118.7
3038L28.8Very low28Very low160.25 Ų160.25131.3 Ų131.384%0.83976%0.76SS**  trans95.2140143.6-74.2160.2000116.5
3039D27.9Very low27.9Very low143 Ų143133.6 Ų133.677%0.76576%0.761SS**  trans30.2131.3146.8-92.8-20.4000116.7
3040D28.6Very low27.7Very low167.25 Ų167.25135.2 Ų135.289%0.89476%0.757SS**  trans-127136.5150.1-92.4-25.6000116.7
3041G27Very low27.7Very low69.25 Ų69.25136.1 Ų136.171%0.71476%0.756SS**  trans-174.672.216600000119.7
3042N26.1Very low27.5Very low158.5 Ų158.5134.9 Ų134.985%0.84875%0.753SS**  trans71.2114.9152.1-94.1-28.6000119.4
3043R24.5Very low27.4Very low217 Ų217135.3 Ų135.382%0.81976%0.755SS**  trans88.5116.7130.8-126.5179.6-171.1-1380.8118D2393 I3045D2393-R3043 IonicContact OD2-CZ 3.4Å; D2393-R3043 VanDerWaalsContact OD2-CZ 3.27Å; D2393-R3043 IonicContact OD2-NH1 3.51Å; D2393-R3043 PolarHBondContact OD2-NH1 3.42Å; D2393-R3043 IonicContact OD2-NH2 3.57Å; D2393-R3043 PolarHBondContact OD2-NH2 2.89Å; R3043-I3045 PolarHBondContact O-N 3.41Å
3044S25.3Very low27.3Very low99.25 Ų99.25132.4 Ų132.469%0.69474%0.74SS**  trans-45.1131.7149.8131.90000114N3046S3044-N3046 PolarHBondContact OG-OD1 3.28Å; S3044-N3046 VanDerWaalsContact OG-OD1 3.13Å
3045I25.9Very low27.5Very low150.25 Ų150.25133.9 Ų133.977%0.77173%0.732SS**  trans-117.3119.2165.5-75.7171.7000107.6R3043 S3047R3043-I3045 PolarHBondContact O-N 3.41Å; I3045-S3047 WeakPolarHBondContact CG2-OG 3.48Å
3046N25.6Very low27.7Very low143.75 Ų143.75134.5 Ų134.577%0.76973%0.734SS**  trans-107.9125171.5-67.6-22.7000109.2S3044 D3048S3044-N3046 PolarHBondContact OG-OD1 3.28Å; S3044-N3046 VanDerWaalsContact OG-OD1 3.13Å; N3046-D3048 PolarHBondContact O-N 3.1Å
3047S27.5Very low28.1Very low99 Ų99130.7 Ų130.769%0.69272%0.719SS**  -142.5117.6105.552.90000110.6I3045 E3049I3045-S3047 WeakPolarHBondContact CG2-OG 3.48Å; S3047-E3049 PolarHBondContact O-N 3.05Å
3048D25.4Very low28.6Very low150.25 Ų150.25130.3 Ų130.380%0.80370%0.704SS**  trans-98111.2164.4-60.8-49.4000112.2N3046 D3050N3046-D3048 PolarHBondContact O-N 3.1Å; D3048-D3050 PolarHBondContact O-N 2.76Å
3049E28.3Very low28.9Very low182.75 Ų182.75126.8 Ų126.885%0.85469%0.686SS**  trans-98.4103.6162.6-74-141.4156.300110.6S3047 I3051S3047-E3049 PolarHBondContact O-N 3.05Å; E3049-I3051 PolarHBondContact O-N 2.93Å
3050D26.6Very low29.4Very low127.5 Ų127.5125 Ų12568%0.68268%0.676SS**  trans-73.5108.7178-86.3-36.9000111.9S2802 D3048 V3052S2802-D3050 WeakPolarHBondContact CB-OD2 3.39Å; S2802-D3050 PolarHBondContact OG-OD2 3.46Å; D3048-D3050 PolarHBondContact O-N 2.76Å; D3050-V3052 PolarHBondContact O-N 3.03Å
3051I28.5Very low29.8Very low134 Ų134123.2 Ų123.269%0.68766%0.662SS**  trans-84.198.7176.2-59.1179.3000110.6L3011 E3049 L3053L3011-I3051 HydrophobicContact CD2-CD1 3.66Å; E3049-I3051 PolarHBondContact O-N 2.93Å; I3051-L3053 HydrophobicContact CG2-CD2 4.43Å; I3051-L3053 PolarHBondContact O-N 3.11Å; I3051-L3053 VanDerWaalsContact O-N 3.17Å
3052V26.8Very low30.1Very low104.25 Ų104.25123.8 Ų123.863%0.63265%0.649SS**  trans-78.6102179.3-176.40000111.5D3050 L3054 L3105D3050-V3052 PolarHBondContact O-N 3.03Å; V3052-L3054 VanDerWaalsContact C-N 3.3Å; V3052-L3054 HydrophobicContact CG1-CD2 4.41Å; V3052-L3054 HydrophobicContact CG1-CG 4.2Å; V3052-L3054 PolarHBondContact O-N 3.2Å; V3052-L3054 VanDerWaalsContact O-N 3.15Å; V3052-L3105 HydrophobicContact CB-CD2 4.05Å; V3052-L3105 HydrophobicContact CG1-CD2 4.42Å; V3052-L3105 HydrophobicContact CG2-CD2 3.87Å
3053L28.1Very low30.7Very low142.25 Ų142.25121.3 Ų121.375%0.74564%0.635SS**  trans-78.894.3173.5-72.5173.6000112P2797 I3007 I3051 R3055P2797-L3053 HydrophobicContact CB-CD1 4.32Å; P2797-L3053 HydrophobicContact CG-CD1 4.33Å; I3007-L3053 HydrophobicContact CD1-CD2 4.16Å; I3051-L3053 HydrophobicContact CG2-CD2 4.43Å; I3051-L3053 PolarHBondContact O-N 3.11Å; I3051-L3053 VanDerWaalsContact O-N 3.17Å; L3053-R3055 PolarHBondContact O-N 3.07Å
3054L29.5Very low31.3Very low78.5 Ų78.5116.6 Ų116.641%0.41163%0.626SS.*  trans-71129.4174.7-70.6164.9000111.7V3052 I3058 L3059 L3062V3052-L3054 VanDerWaalsContact C-N 3.3Å; V3052-L3054 HydrophobicContact CG1-CD2 4.41Å; V3052-L3054 HydrophobicContact CG1-CG 4.2Å; V3052-L3054 PolarHBondContact O-N 3.2Å; V3052-L3054 VanDerWaalsContact O-N 3.15Å; L3054-I3058 HydrophobicContact CD2-CB 4.24Å; L3054-I3058 HydrophobicContact CD2-CD1 4.08Å; L3054-I3058 HydrophobicContact CD2-CG2 3.92Å; L3054-L3059 HydrophobicContact CB-CB 4.48Å; L3054-L3059 HydrophobicContact CB-CD1 4.28Å; L3054-L3059 HydrophobicContact CD1-CD1 4.03Å; L3054-L3062 HydrophobicContact CD1-CD1 3.72Å; L3054-L3062 VanDerWaalsContact CD1-CD1 3.41Å; L3054-L3062 HydrophobicContact CD2-CD1 4.29Å; L3054-L3062 HydrophobicContact CG-CD1 4.29Å
3055R31.5Very low31.8Very low151.25 Ų151.25117.2 Ų117.257%0.57162%0.62SS**  trans-55.8142.1174.5-145.3179.8-177.8172.32.7110.7D2413 L3053 S3057 I3058 L3059D2413-R3055 VanDerWaalsContact CG-NH1 3.27Å; D2413-R3055 IonicContact OD1-CZ 3.49Å; D2413-R3055 IonicContact OD1-NH1 3.31Å; D2413-R3055 PolarHBondContact OD1-NH1 2.96Å; D2413-R3055 IonicContact OD1-NH2 3.13Å; D2413-R3055 PolarHBondContact OD1-NH2 3.37Å; D2413-R3055 IonicContact OD2-CZ 3.44Å; D2413-R3055 IonicContact OD2-NE 2.68Å; D2413-R3055 IonicContact OD2-NH1 3.88Å; D2413-R3055 PolarHBondContact OD2-NH1 2.82Å; D2413-R3055 IonicContact OD2-NH2 2.62Å; D2413-R3055 PolarHBondContact OD2-NH2 3.25Å; L3053-R3055 PolarHBondContact O-N 3.07Å; R3055-S3057 VanDerWaalsContact C-N 3.25Å; R3055-S3057 VanDerWaalsContact CD-OG 3.31Å; R3055-S3057 WeakPolarHBondContact CD-OG 3.46Å; R3055-S3057 WeakPolarHBondContact CG-OG 3.4Å; R3055-S3057 PolarHBondContact NE-OG 3.16Å; R3055-S3057 PolarHBondContact O-N 3.1Å; R3055-S3057 VanDerWaalsContact O-N 3.08Å; R3055-I3058 HydrophobicContact CB-CB 4.39Å; R3055-I3058 HydrophobicContact CB-CD1 4.03Å; R3055-I3058 HydrophobicContact CB-CG1 4.16Å; R3055-I3058 CarbonylContact O-C 3.54Å; R3055-I3058 WeakPolarHBondContact O-CA 3.36Å; R3055-I3058 WeakPolarHBondContact O-CB 3.43Å; R3055-I3058 PolarHBondContact O-N 3.04Å; R3055-L3059 PolarHBondContact O-N 3.19Å; R3055-L3059 VanDerWaalsContact O-N 3.12Å
3056P34.6Very low32.1Very low104.5 Ų104.5115.4 Ų115.468%0.67962%0.617SS**Hα-helixtrans-54.2-29.8-178.5-29.835.8000115.2I3058 L3059 N3060P3056-I3058 VanDerWaalsContact C-N 3.31Å; P3056-I3058 PolarHBondContact O-N 3.2Å; P3056-L3059 PolarHBondContact O-N 2.93Å; P3056-N3060 VanDerWaalsContact O-CB 3.31Å; P3056-N3060 WeakPolarHBondContact O-CB 3.32Å; P3056-N3060 PolarHBondContact O-N 3.1Å; P3056-N3060 VanDerWaalsContact O-N 3.16Å
3057S35.7Very low32.4Very low74.5 Ų74.5111.7 Ų111.752%0.52161%0.612SS.*Hα-helixtrans-68.5-33.2173.5540000113.6R3055 H3061R3055-S3057 VanDerWaalsContact C-N 3.25Å; R3055-S3057 VanDerWaalsContact CD-OG 3.31Å; R3055-S3057 WeakPolarHBondContact CD-OG 3.46Å; R3055-S3057 WeakPolarHBondContact CG-OG 3.4Å; R3055-S3057 PolarHBondContact NE-OG 3.16Å; R3055-S3057 PolarHBondContact O-N 3.1Å; R3055-S3057 VanDerWaalsContact O-N 3.08Å; S3057-H3061 WeakPolarHBondContact O-CB 3.36Å; S3057-H3061 PolarHBondContact O-N 3.07Å; S3057-H3061 VanDerWaalsContact O-N 3.08Å
3058I39Very low32.4Very low78.5 Ų78.5112.6 Ų112.640%0.40361%0.613SS.*Hα-helixtrans-78.4-38.2177.3-55.6173000109.9L3054 R3055 P3056 N3060 H3061 L3062L3054-I3058 HydrophobicContact CD2-CB 4.24Å; L3054-I3058 HydrophobicContact CD2-CD1 4.08Å; L3054-I3058 HydrophobicContact CD2-CG2 3.92Å; R3055-I3058 HydrophobicContact CB-CB 4.39Å; R3055-I3058 HydrophobicContact CB-CD1 4.03Å; R3055-I3058 HydrophobicContact CB-CG1 4.16Å; R3055-I3058 CarbonylContact O-C 3.54Å; R3055-I3058 WeakPolarHBondContact O-CA 3.36Å; R3055-I3058 WeakPolarHBondContact O-CB 3.43Å; R3055-I3058 PolarHBondContact O-N 3.04Å; P3056-I3058 VanDerWaalsContact C-N 3.31Å; P3056-I3058 PolarHBondContact O-N 3.2Å; I3058-N3060 VanDerWaalsContact C-N 3.32Å; I3058-N3060 PolarHBondContact O-N 3.1Å; I3058-H3061 CarbonylContact O-C 3.52Å; I3058-H3061 WeakPolarHBondContact O-CA 3.26Å; I3058-H3061 WeakPolarHBondContact O-CB 3.48Å; I3058-H3061 PolarHBondContact O-N 3.08Å; I3058-H3061 VanDerWaalsContact O-N 3.13Å; I3058-L3062 HydrophobicContact CG2-CD1 4.05Å; I3058-L3062 HydrophobicContact CG2-CG 4.36Å; I3058-L3062 WeakPolarHBondContact O-CB 3.4Å; I3058-L3062 WeakPolarHBondContact O-CG 3.32Å; I3058-L3062 PolarHBondContact O-N 3.19Å
3059L35.6Very low32.6Very low88.25 Ų88.25113.5 Ų113.546%0.46262%0.618SS.*Hα-helixtrans-59.8-44.4173.4-163.378.4000111.2L3054 R3055 P3056 H3061 L3062 L3063L3054-L3059 HydrophobicContact CB-CB 4.48Å; L3054-L3059 HydrophobicContact CB-CD1 4.28Å; L3054-L3059 HydrophobicContact CD1-CD1 4.03Å; R3055-L3059 PolarHBondContact O-N 3.19Å; R3055-L3059 VanDerWaalsContact O-N 3.12Å; P3056-L3059 PolarHBondContact O-N 2.93Å; L3059-H3061 VanDerWaalsContact C-N 3.29Å; L3059-H3061 PolarHBondContact O-N 3.22Å; L3059-L3062 PolarHBondContact O-N 3.1Å; L3059-L3063 HydrophobicContact CD2-CD1 4.42Å; L3059-L3063 HydrophobicContact CG-CD1 4.12Å; L3059-L3063 VanDerWaalsContact O-CB 3.31Å; L3059-L3063 WeakPolarHBondContact O-CB 3.39Å; L3059-L3063 WeakPolarHBondContact O-CD1 3.29Å; L3059-L3063 VanDerWaalsContact O-CG 3.27Å; L3059-L3063 WeakPolarHBondContact O-CG 3.35Å; L3059-L3063 PolarHBondContact O-N 3.02Å
3060N38.3Very low32.6Very low103.5 Ų103.5107.9 Ų107.955%0.55361%0.609SS**Hα-helixtrans-64.7-32.1173.7-126.917.6000112.5P3056 I3058 N3064P3056-N3060 VanDerWaalsContact O-CB 3.31Å; P3056-N3060 WeakPolarHBondContact O-CB 3.32Å; P3056-N3060 PolarHBondContact O-N 3.1Å; P3056-N3060 VanDerWaalsContact O-N 3.16Å; I3058-N3060 VanDerWaalsContact C-N 3.32Å; I3058-N3060 PolarHBondContact O-N 3.1Å; N3060-N3064 VanDerWaalsContact O-CB 3.28Å; N3060-N3064 WeakPolarHBondContact O-CB 3.32Å; N3060-N3064 VanDerWaalsContact O-CG 3.24Å; N3060-N3064 PolarHBondContact O-N 3.03Å; N3060-N3064 VanDerWaalsContact O-N 3.15Å; N3060-N3064 PolarHBondContact O-ND2 2.98Å; N3060-N3064 PolarHBondContact OD1-ND2 2.84Å
3061H35.2Very low32.7Very low129.25 Ų129.25108.8 Ų108.860%0.59862%0.619SS**Hα-helixtrans-71.5-41175.8-135.4-42.6000111.9S3057 I3058 L3059 N3064 I3065S3057-H3061 WeakPolarHBondContact O-CB 3.36Å; S3057-H3061 PolarHBondContact O-N 3.07Å; S3057-H3061 VanDerWaalsContact O-N 3.08Å; I3058-H3061 CarbonylContact O-C 3.52Å; I3058-H3061 WeakPolarHBondContact O-CA 3.26Å; I3058-H3061 WeakPolarHBondContact O-CB 3.48Å; I3058-H3061 PolarHBondContact O-N 3.08Å; I3058-H3061 VanDerWaalsContact O-N 3.13Å; L3059-H3061 VanDerWaalsContact C-N 3.29Å; L3059-H3061 PolarHBondContact O-N 3.22Å; H3061-N3064 CarbonylContact O-C 3.57Å; H3061-N3064 PolarHBondContact O-N 3.04Å; H3061-I3065 WeakPolarHBondContact O-CB 3.48Å; H3061-I3065 VanDerWaalsContact O-CD1 3.26Å; H3061-I3065 WeakPolarHBondContact O-CD1 3.41Å; H3061-I3065 VanDerWaalsContact O-CG1 3.29Å; H3061-I3065 WeakPolarHBondContact O-CG1 3.42Å; H3061-I3065 PolarHBondContact O-N 3.21Å; H3061-I3065 VanDerWaalsContact O-N 3.11Å
3062L34.3Very low32.8Very low82.5 Ų82.5106.7 Ų106.743%0.43262%0.622SS.*Hα-helixtrans-67.4-41.2176.3-74.2164.7000112.1L3054 I3058 L3059 N3064 I3065 T3066L3054-L3062 HydrophobicContact CD1-CD1 3.72Å; L3054-L3062 VanDerWaalsContact CD1-CD1 3.41Å; L3054-L3062 HydrophobicContact CD2-CD1 4.29Å; L3054-L3062 HydrophobicContact CG-CD1 4.29Å; I3058-L3062 HydrophobicContact CG2-CD1 4.05Å; I3058-L3062 HydrophobicContact CG2-CG 4.36Å; I3058-L3062 WeakPolarHBondContact O-CB 3.4Å; I3058-L3062 WeakPolarHBondContact O-CG 3.32Å; I3058-L3062 PolarHBondContact O-N 3.19Å; L3059-L3062 PolarHBondContact O-N 3.1Å; L3062-N3064 VanDerWaalsContact C-N 3.31Å; L3062-N3064 PolarHBondContact O-N 3.1Å; L3062-I3065 PolarHBondContact O-N 3.28Å; L3062-I3065 VanDerWaalsContact O-N 3.17Å; L3062-T3066 PolarHBondContact O-N 3.29Å
3063L39.1Very low32.9Very low106.25 Ų106.25108.6 Ų108.656%0.55663%0.629SS**Hα-helixtrans-66.8-30.5175-72.5166.5000112.7L3059 I3065 T3066 G3067L3059-L3063 HydrophobicContact CD2-CD1 4.42Å; L3059-L3063 HydrophobicContact CG-CD1 4.12Å; L3059-L3063 VanDerWaalsContact O-CB 3.31Å; L3059-L3063 WeakPolarHBondContact O-CB 3.39Å; L3059-L3063 WeakPolarHBondContact O-CD1 3.29Å; L3059-L3063 VanDerWaalsContact O-CG 3.27Å; L3059-L3063 WeakPolarHBondContact O-CG 3.35Å; L3059-L3063 PolarHBondContact O-N 3.02Å; L3063-I3065 VanDerWaalsContact C-N 3.34Å; L3063-I3065 PolarHBondContact O-N 2.84Å; L3063-T3066 PolarHBondContact O-N 3.15Å; L3063-T3066 PolarHBondContact O-OG1 3.07Å; L3063-T3066 VanDerWaalsContact O-OG1 3.07Å; L3063-G3067 PolarHBondContact O-N 3.02Å
3064N36.8Very low33Very low119 Ų119108.8 Ų108.864%0.63663%0.63SS**Hα-helixtrans-79.6-18.2172.8-80.9-24.7000113.3N3060 H3061 L3062 T3066 G3067 V3068N3060-N3064 VanDerWaalsContact O-CB 3.28Å; N3060-N3064 WeakPolarHBondContact O-CB 3.32Å; N3060-N3064 VanDerWaalsContact O-CG 3.24Å; N3060-N3064 PolarHBondContact O-N 3.03Å; N3060-N3064 VanDerWaalsContact O-N 3.15Å; N3060-N3064 PolarHBondContact O-ND2 2.98Å; N3060-N3064 PolarHBondContact OD1-ND2 2.84Å; H3061-N3064 CarbonylContact O-C 3.57Å; H3061-N3064 PolarHBondContact O-N 3.04Å; L3062-N3064 VanDerWaalsContact C-N 3.31Å; L3062-N3064 PolarHBondContact O-N 3.1Å; N3064-T3066 VanDerWaalsContact C-N 3.28Å; N3064-T3066 PolarHBondContact O-N 3.37Å; N3064-G3067 PolarHBondContact O-N 3.29Å; N3064-V3068 WeakPolarHBondContact O-CG2 3.34Å
3065I34.7Very low33Very low110.75 Ų110.75111.7 Ų111.757%0.56865%0.646SS**Hα-helixtrans-79.3-24176.2-74.6163.3000111.5H3061 L3062 L3063 G3067H3061-I3065 WeakPolarHBondContact O-CB 3.48Å; H3061-I3065 VanDerWaalsContact O-CD1 3.26Å; H3061-I3065 WeakPolarHBondContact O-CD1 3.41Å; H3061-I3065 VanDerWaalsContact O-CG1 3.29Å; H3061-I3065 WeakPolarHBondContact O-CG1 3.42Å; H3061-I3065 PolarHBondContact O-N 3.21Å; H3061-I3065 VanDerWaalsContact O-N 3.11Å; L3062-I3065 PolarHBondContact O-N 3.28Å; L3062-I3065 VanDerWaalsContact O-N 3.17Å; L3063-I3065 VanDerWaalsContact C-N 3.34Å; L3063-I3065 PolarHBondContact O-N 2.84Å; I3065-G3067 PolarHBondContact O-N 2.99Å
3066T32.5Very low32.9Very low113.25 Ų113.25110.5 Ų110.570%0.69566%0.656SS**THydrogen-bonded Turntrans-83.610.7175.354.60000114L3062 L3063 N3064 V3068L3062-T3066 PolarHBondContact O-N 3.29Å; L3063-T3066 PolarHBondContact O-N 3.15Å; L3063-T3066 PolarHBondContact O-OG1 3.07Å; L3063-T3066 VanDerWaalsContact O-OG1 3.07Å; N3064-T3066 VanDerWaalsContact C-N 3.28Å; N3064-T3066 PolarHBondContact O-N 3.37Å; T3066-V3068 VanDerWaalsContact C-N 3.33Å; T3066-V3068 PolarHBondContact O-N 2.79Å
3067G31.4Very low32.5Very low64.75 Ų64.75110.5 Ų110.567%0.66866%0.659SS**THydrogen-bonded Turntrans-100.3-5-176.800000116.5L3063 N3064 I3065L3063-G3067 PolarHBondContact O-N 3.02Å; N3064-G3067 PolarHBondContact O-N 3.29Å; I3065-G3067 PolarHBondContact O-N 2.99Å
3068V29.1Very low32.2Very low118.5 Ų118.5112.2 Ų112.272%0.71867%0.67SS**  trans-122.973.3-172.5-168.20000111.7N3064 T3066 G3070N3064-V3068 WeakPolarHBondContact O-CG2 3.34Å; T3066-V3068 VanDerWaalsContact C-N 3.33Å; T3066-V3068 PolarHBondContact O-N 2.79Å; V3068-G3070 PolarHBondContact O-N 2.76Å
3069N28.7Very low31.7Very low168.75 Ų168.75115.5 Ų115.590%0.90269%0.688SS**  trans-156.699.5162.6-87.1-33.4000109.5
3070G28.8Very low31.3Very low65 Ų65118.8 Ų118.867%0.6770%0.701SS**  -174.766.2-88.600000113.5V3068V3068-G3070 PolarHBondContact O-N 2.76Å
3071T28.8Very low30.8Very low146.5 Ų146.5120.1 Ų120.190%0.89971%0.708SS**  trans104.6124.8173.759.60000114.7N3073T3071-N3073 VanDerWaalsContact C-N 3.34Å; T3071-N3073 PolarHBondContact O-N 3.47Å; T3071-N3073 VanDerWaalsContact O-N 3.1Å
3072A29.3Very low30.5Very low89.75 Ų89.75120.5 Ų120.574%0.74271%0.713SS**  trans-95.8113.7174.100000112.9
3073N30Very low30.3Very low145.75 Ų145.75122.8 Ų122.878%0.77973%0.726SS**  trans-158.1121.9144.4-97.6-12.2000112.7T3071 N3075T3071-N3073 VanDerWaalsContact C-N 3.34Å; T3071-N3073 PolarHBondContact O-N 3.47Å; T3071-N3073 VanDerWaalsContact O-N 3.1Å; N3073-N3075 PolarHBondContact O-N 3.46Å
3074N29.6Very low29.7Very low145.25 Ų145.25125.3 Ų125.378%0.77774%0.738SS**  trans-9127.1148.5-71.7-34.4000115.6
3075N29Very low29.5Very low139.25 Ų139.25122.7 Ų122.775%0.74574%0.739SS**  trans171.8128.7144.5-72.8-30.6000115.2N3073N3073-N3075 PolarHBondContact O-N 3.46Å
3076T29.3Very low29.2Very low126.25 Ų126.25123.9 Ų123.978%0.77575%0.747SS**  trans70.5124.6141.657.20000117.4
3077S28Very low29.1Very low106 Ų106125.3 Ų125.374%0.74175%0.75SS**  122.3138.157.552.50000113.9
3078S28.8Very low29Very low108.75 Ų108.75129.7 Ų129.776%0.7676%0.758SS**  168.7123.477.861.80000111.2
3079L27.2Very low28.9Very low147.25 Ų147.25130.8 Ų130.877%0.77176%0.76SS**  trans-136.9125.8148.2-84.2156000112.2
3080Q29.1Very low29Very low159.5 Ų159.5129.8 Ų129.875%0.74575%0.753SS**  76.5130.5121.6-76.11770.700116.4
3081N27.2Very low28.9Very low130 Ų130133.7 Ų133.770%0.69576%0.758SS**  cis169.3165.927.8-104.81.7000112.5
3082I29.3Very low29Very low137.75 Ų137.75131.7 Ų131.771%0.70675%0.75SS**  trans93.5122.5131.9-63.1170.5000116.1
3083D28.4Very low28.9Very low130.75 Ų130.75134.3 Ų134.370%0.69975%0.751SS**  124.5133.857.6-75.1-21.3000115.1
3084I28.3Very low28.9Very low158.5 Ų158.5134.7 Ų134.781%0.81375%0.754SS**  82.8124.279.3-57.9167.2000116.4
3085G30.9Very low28.8Very low63.75 Ų63.75135.9 Ų135.966%0.65776%0.758SS**  trans145.270.9163.800000114.6
3086N29.5Very low28.9Very low136.75 Ų136.75133.4 Ų133.473%0.73175%0.752SS**  66.3121.7102.7-69.630.6000115.8
3087D30.4Very low29.3Very low143.25 Ų143.25130.6 Ų130.677%0.76674%0.737SS**  -177.5138.871.2-77.6-32.4000114.6
3088L29.6Very low29.6Very low157.25 Ų157.25130.4 Ų130.482%0.82373%0.732SS**  trans12686.3152.9-100.8140.3000116.2I3090L3088-I3090 HydrophobicContact CD2-CG1 4Å
3089D27.2Very low29.9Very low140.75 Ų140.75130.8 Ų130.875%0.75372%0.721SS**  trans-22.2127.5143.3-113.2-7.6000117.1
3090I29.5Very low30.6Very low147.25 Ų147.25125.9 Ų125.976%0.75570%0.699SS**  trans-164.1118.1145.5-69.3169.9000112.6L3088L3088-I3090 HydrophobicContact CD2-CG1 4Å
3091N26.9Very low30.9Very low147.75 Ų147.75122.8 Ų122.879%0.7969%0.687SS**  trans-98.5131.6162.6-67.1-54.8000113.5
3092S30.5Very low31.3Very low104.25 Ų104.25119.4 Ų119.473%0.72967%0.668SS**  -161.8133.6115.9540000111.9
3093D27.3Very low31.8Very low143.25 Ų143.25117.4 Ų117.477%0.76666%0.663SS**  trans13.6131.1156.8-48.2-47.3000118.4
3094N29.9Very low32.1Very low155 Ų155117 Ų11783%0.82967%0.665SS**  trans130.775145.4-73.4-41.4000114.9S3096N3094-S3096 VanDerWaalsContact C-N 3.31Å; N3094-S3096 PolarHBondContact O-N 2.69Å
3095I28.2Very low32.2Very low170.5 Ų170.5114.4 Ų114.487%0.87465%0.653SS**  trans-119.4108.5152.2-68.5172.7000108.3I3101I3095-I3101 HydrophobicContact CG2-CD1 4.04Å
3096S30.5Very low32.2Very low87.75 Ų87.75114.4 Ų114.461%0.61465%0.652SS**  trans-81.9144.5177.646.90000112.1N3094 S3100N3094-S3096 VanDerWaalsContact C-N 3.31Å; N3094-S3096 PolarHBondContact O-N 2.69Å; S3096-S3100 WeakPolarHBondContact CB-OG 3.42Å; S3096-S3100 PolarHBondContact OG-OG 3.28Å
3097S37.8Very low32.3Very low66.25 Ų66.25112.1 Ų112.146%0.46364%0.639SS.*  trans-34.3150.1-176660000115E3099 S3100S3097-E3099 VanDerWaalsContact CB-OE2 3.32Å; S3097-E3099 WeakPolarHBondContact CB-OE2 3.26Å; S3097-E3099 PolarHBondContact O-N 3.23Å; S3097-E3099 VanDerWaalsContact O-N 3.11Å; S3097-E3099 WeakPolarHBondContact OG-CB 3.37Å; S3097-E3099 PolarHBondContact OG-N 2.78Å; S3097-E3099 PolarHBondContact OG-OE2 2.88Å; S3097-S3100 WeakPolarHBondContact O-CB 3.28Å; S3097-S3100 PolarHBondContact O-N 3.08Å; S3097-S3100 PolarHBondContact O-OG 3.23Å
3098V35.4Very low32.4Very low103 Ų103110.6 Ų110.662%0.62464%0.638SS**Hα-helixtrans-60.6-21.2175.2179.30000112.1S3100 I3101 L3102V3098-S3100 VanDerWaalsContact C-N 3.31Å; V3098-S3100 PolarHBondContact O-N 3.12Å; V3098-I3101 PolarHBondContact O-N 3.16Å; V3098-I3101 VanDerWaalsContact O-N 3.13Å; V3098-L3102 HydrophobicContact CG1-CD1 4.11Å; V3098-L3102 HydrophobicContact CG1-CG 4.38Å; V3098-L3102 WeakPolarHBondContact O-CG 3.36Å; V3098-L3102 PolarHBondContact O-N 3.04Å; V3098-L3102 VanDerWaalsContact O-N 3.13Å
3099E35.3Very low32.3Very low115.5 Ų115.5108.1 Ų108.154%0.5462%0.624SS.*Hα-helixtrans-58.9-35173.2-68.7167.1122.200112.7S3097 I3101 L3102 T3103 L3109S3097-E3099 VanDerWaalsContact CB-OE2 3.32Å; S3097-E3099 WeakPolarHBondContact CB-OE2 3.26Å; S3097-E3099 PolarHBondContact O-N 3.23Å; S3097-E3099 VanDerWaalsContact O-N 3.11Å; S3097-E3099 WeakPolarHBondContact OG-CB 3.37Å; S3097-E3099 PolarHBondContact OG-N 2.78Å; S3097-E3099 PolarHBondContact OG-OE2 2.88Å; E3099-I3101 VanDerWaalsContact C-N 3.32Å; E3099-I3101 PolarHBondContact O-N 2.94Å; E3099-L3102 PolarHBondContact O-N 3.21Å; E3099-T3103 WeakPolarHBondContact O-CB 3.42Å; E3099-T3103 VanDerWaalsContact O-CG2 3.27Å; E3099-T3103 WeakPolarHBondContact O-CG2 3.31Å; E3099-T3103 PolarHBondContact O-N 2.98Å; E3099-T3103 VanDerWaalsContact O-N 3.11Å; E3099-T3103 PolarHBondContact O-OG1 3.01Å; E3099-T3103 VanDerWaalsContact O-OG1 3.08Å; E3099-L3109 HydrophobicContact CG-CD2 4.04Å
3100S41.1Very low32.4Very low44.75 Ų44.75109.2 Ų109.231%0.31363%0.629SS.*Hα-helixtrans-66.6-33.9176.669.20000112.6S3096 S3097 V3098 T3103 T3104S3096-S3100 WeakPolarHBondContact CB-OG 3.42Å; S3096-S3100 PolarHBondContact OG-OG 3.28Å; S3097-S3100 WeakPolarHBondContact O-CB 3.28Å; S3097-S3100 PolarHBondContact O-N 3.08Å; S3097-S3100 PolarHBondContact O-OG 3.23Å; V3098-S3100 VanDerWaalsContact C-N 3.31Å; V3098-S3100 PolarHBondContact O-N 3.12Å; S3100-T3103 VanDerWaalsContact CA-OG1 3.27Å; S3100-T3103 WeakPolarHBondContact CA-OG1 3.37Å; S3100-T3103 PolarHBondContact O-OG1 3.21Å; S3100-T3103 VanDerWaalsContact O-OG1 3.09Å; S3100-T3104 VanDerWaalsContact O-CB 3.27Å; S3100-T3104 WeakPolarHBondContact O-CB 3.37Å; S3100-T3104 PolarHBondContact O-N 3.3Å; S3100-T3104 PolarHBondContact O-OG1 2.88Å
3101I36.3Very low32.3Very low95.25 Ų95.25107.7 Ų107.749%0.48863%0.627SS.*Hα-helixtrans-73.3-43.5177.5-58.5175.2000109.6I3095 V3098 E3099 T3103 T3104 L3105I3095-I3101 HydrophobicContact CG2-CD1 4.04Å; V3098-I3101 PolarHBondContact O-N 3.16Å; V3098-I3101 VanDerWaalsContact O-N 3.13Å; E3099-I3101 VanDerWaalsContact C-N 3.32Å; E3099-I3101 PolarHBondContact O-N 2.94Å; I3101-T3103 PolarHBondContact O-N 2.88Å; I3101-T3104 PolarHBondContact O-N 3.02Å; I3101-L3105 HydrophobicContact CG2-CD1 4.11Å; I3101-L3105 WeakPolarHBondContact O-CD1 3.3Å; I3101-L3105 VanDerWaalsContact O-CG 3.26Å; I3101-L3105 WeakPolarHBondContact O-CG 3.41Å; I3101-L3105 PolarHBondContact O-N 2.99Å; I3101-L3105 VanDerWaalsContact O-N 3.08Å
3102L34.5Very low32.3Very low58 Ų58105.8 Ų105.830%0.30463%0.625SS.*Hα-helixtrans-67.1-37.8178.8-67.8168.6000112.7V3098 E3099 L3105 G3106 I3107 L3109V3098-L3102 HydrophobicContact CG1-CD1 4.11Å; V3098-L3102 HydrophobicContact CG1-CG 4.38Å; V3098-L3102 WeakPolarHBondContact O-CG 3.36Å; V3098-L3102 PolarHBondContact O-N 3.04Å; V3098-L3102 VanDerWaalsContact O-N 3.13Å; E3099-L3102 PolarHBondContact O-N 3.21Å; L3102-L3105 CarbonylContact O-C 3.59Å; L3102-L3105 PolarHBondContact O-N 3.25Å; L3102-G3106 PolarHBondContact O-N 3.35Å; L3102-I3107 HydrophobicContact CD2-CD1 4.03Å; L3102-I3107 WeakPolarHBondContact O-CB 3.31Å; L3102-I3107 PolarHBondContact O-N 3.02Å; L3102-I3107 VanDerWaalsContact O-N 3.09Å; L3102-L3109 HydrophobicContact CD1-CD1 4.39Å; L3102-L3109 HydrophobicContact CD1-CD2 4.49Å
3103T39.5Very low32.1Very low95.75 Ų95.75106.9 Ų106.959%0.58763%0.628SS**Hα-helixtrans-72-3317549.10000112.9E3099 S3100 I3101 L3105 G3106E3099-T3103 WeakPolarHBondContact O-CB 3.42Å; E3099-T3103 VanDerWaalsContact O-CG2 3.27Å; E3099-T3103 WeakPolarHBondContact O-CG2 3.31Å; E3099-T3103 PolarHBondContact O-N 2.98Å; E3099-T3103 VanDerWaalsContact O-N 3.11Å; E3099-T3103 PolarHBondContact O-OG1 3.01Å; E3099-T3103 VanDerWaalsContact O-OG1 3.08Å; S3100-T3103 VanDerWaalsContact CA-OG1 3.27Å; S3100-T3103 WeakPolarHBondContact CA-OG1 3.37Å; S3100-T3103 PolarHBondContact O-OG1 3.21Å; S3100-T3103 VanDerWaalsContact O-OG1 3.09Å; I3101-T3103 PolarHBondContact O-N 2.88Å; T3103-L3105 VanDerWaalsContact C-N 3.29Å; T3103-L3105 PolarHBondContact O-N 2.97Å; T3103-G3106 PolarHBondContact O-N 3.32Å; T3103-G3106 VanDerWaalsContact O-N 3.14Å
3104T35.5Very low32.1Very low122.25 Ų122.25106.3 Ų106.375%0.7563%0.629SS**Hα-helixtrans-69.6-25.9173.5-55.70000112.1S3100 I3101 G3106S3100-T3104 VanDerWaalsContact O-CB 3.27Å; S3100-T3104 WeakPolarHBondContact O-CB 3.37Å; S3100-T3104 PolarHBondContact O-N 3.3Å; S3100-T3104 PolarHBondContact O-OG1 2.88Å; I3101-T3104 PolarHBondContact O-N 3.02Å; T3104-G3106 VanDerWaalsContact C-N 3.31Å; T3104-G3106 PolarHBondContact O-N 3.27Å
3105L30.1Very low31.9Very low104.25 Ų104.25105 Ų10555%0.54663%0.628SS.*THydrogen-bonded Turntrans-86.28.9174.8-69.2169.3000113.7V3052 I3101 L3102 T3103 I3107V3052-L3105 HydrophobicContact CB-CD2 4.05Å; V3052-L3105 HydrophobicContact CG1-CD2 4.42Å; V3052-L3105 HydrophobicContact CG2-CD2 3.87Å; I3101-L3105 HydrophobicContact CG2-CD1 4.11Å; I3101-L3105 WeakPolarHBondContact O-CD1 3.3Å; I3101-L3105 VanDerWaalsContact O-CG 3.26Å; I3101-L3105 WeakPolarHBondContact O-CG 3.41Å; I3101-L3105 PolarHBondContact O-N 2.99Å; I3101-L3105 VanDerWaalsContact O-N 3.08Å; L3102-L3105 CarbonylContact O-C 3.59Å; L3102-L3105 PolarHBondContact O-N 3.25Å; T3103-L3105 VanDerWaalsContact C-N 3.29Å; T3103-L3105 PolarHBondContact O-N 2.97Å; L3105-I3107 VanDerWaalsContact C-N 3.31Å; L3105-I3107 HydrophobicContact CB-CD1 4.18Å; L3105-I3107 HydrophobicContact CB-CG1 4.2Å; L3105-I3107 HydrophobicContact CD1-CD1 4.43Å; L3105-I3107 WeakPolarHBondContact O-CG1 3.48Å; L3105-I3107 PolarHBondContact O-N 3.1Å; L3105-I3107 VanDerWaalsContact O-N 3.12Å
3106G30.4Very low31.9Very low63.25 Ų63.25101.7 Ų101.765%0.65262%0.62SS**THydrogen-bonded Turntrans68.216.8177.300000114.9L3102 T3103 T3104 P3108L3102-G3106 PolarHBondContact O-N 3.35Å; T3103-G3106 PolarHBondContact O-N 3.32Å; T3103-G3106 VanDerWaalsContact O-N 3.14Å; T3104-G3106 VanDerWaalsContact C-N 3.31Å; T3104-G3106 PolarHBondContact O-N 3.27Å; G3106-P3108 VanDerWaalsContact O-CD 3.28Å; G3106-P3108 WeakPolarHBondContact O-CD 3.28Å
3107I31.5Very low31.8Very low88.75 Ų88.75104 Ų10446%0.45563%0.63SS.*  trans-92109.1-177-54.5175.4000109.3L3102 L3105 L3109L3102-I3107 HydrophobicContact CD2-CD1 4.03Å; L3102-I3107 WeakPolarHBondContact O-CB 3.31Å; L3102-I3107 PolarHBondContact O-N 3.02Å; L3102-I3107 VanDerWaalsContact O-N 3.09Å; L3105-I3107 VanDerWaalsContact C-N 3.31Å; L3105-I3107 HydrophobicContact CB-CD1 4.18Å; L3105-I3107 HydrophobicContact CB-CG1 4.2Å; L3105-I3107 HydrophobicContact CD1-CD1 4.43Å; L3105-I3107 WeakPolarHBondContact O-CG1 3.48Å; L3105-I3107 PolarHBondContact O-N 3.1Å; L3105-I3107 VanDerWaalsContact O-N 3.12Å; I3107-L3109 PolarHBondContact O-N 2.85Å; I3107-L3109 VanDerWaalsContact O-N 3.16Å
3108P32.5Very low31.2Very low112.75 Ų112.75105.8 Ų105.873%0.73265%0.649SS**  trans-74.6103.6179.629.8-33.4000110.8G3106 L3110G3106-P3108 VanDerWaalsContact O-CD 3.28Å; G3106-P3108 WeakPolarHBondContact O-CD 3.28Å; P3108-L3110 PolarHBondContact O-N 2.99Å; P3108-L3110 VanDerWaalsContact O-N 3.17Å
3109L28.3Very low30.9Very low103.5 Ų103.5105.3 Ų105.354%0.54266%0.656SS.*  trans-83.7105.1173.9-168.873.1000109.8E3099 L3102 I3107 T3111E3099-L3109 HydrophobicContact CG-CD2 4.04Å; L3102-L3109 HydrophobicContact CD1-CD1 4.39Å; L3102-L3109 HydrophobicContact CD1-CD2 4.49Å; I3107-L3109 PolarHBondContact O-N 2.85Å; I3107-L3109 VanDerWaalsContact O-N 3.16Å; L3109-T3111 HydrophobicContact CD2-CG2 4.15Å; L3109-T3111 HydrophobicContact CG-CG2 4.24Å; L3109-T3111 PolarHBondContact O-N 3.19Å
3110L28.6Very low30.4Very low164.5 Ų164.5104.7 Ų104.786%0.86166%0.664SS**  trans-82.7101.5174.6-105.689.3000111.2P3108 S3112P3108-L3110 PolarHBondContact O-N 2.99Å; P3108-L3110 VanDerWaalsContact O-N 3.17Å; L3110-S3112 VanDerWaalsContact C-N 3.31Å; L3110-S3112 PolarHBondContact O-N 2.57Å; L3110-S3112 VanDerWaalsContact O-N 3.12Å
3111T27.8Very low29.7Very low115.75 Ų115.75110.9 Ų110.971%0.7169%0.693SS**  trans-83.8122.4170.949.10000111.4L3109 T3113L3109-T3111 HydrophobicContact CD2-CG2 4.15Å; L3109-T3111 HydrophobicContact CG-CG2 4.24Å; L3109-T3111 PolarHBondContact O-N 3.19Å; T3111-T3113 PolarHBondContact O-N 3.2Å
3112S27.1Very low29.2Very low107.25 Ų107.25112.9 Ų112.975%0.7570%0.704SS**  trans-86.9122.9-177.958.30000113.6L3110L3110-S3112 VanDerWaalsContact C-N 3.31Å; L3110-S3112 PolarHBondContact O-N 2.57Å; L3110-S3112 VanDerWaalsContact O-N 3.12Å
3113T26.5Very low28.8Very low127.5 Ų127.5115.2 Ų115.278%0.78272%0.724SS**  trans-149.8128.9150.835.90000111.4T3111T3111-T3113 PolarHBondContact O-N 3.2Å
3114T26.9Very low28.2Very low130 Ų130116.8 Ų116.880%0.79873%0.729SS**  trans80.3120.5149.253.70000117.8S3116T3114-S3116 PolarHBondContact O-N 3.1Å
3115T26.7Very low27.8Very low129.5 Ų129.5116.5 Ų116.579%0.79473%0.727SS**  -81.8152.380.850.80000113.6
3116S27Very low27.6Very low101 Ų101118.1 Ų118.171%0.70674%0.736SS**  trans172.6147.7133.354.80000114.9T3114T3114-S3116 PolarHBondContact O-N 3.1Å
3117T27.9Very low27.4Very low136 Ų136123.4 Ų123.483%0.83474%0.742SS**  trans74.7122.9142.858.20000118.6
3118A25.3Very low27.1Very low104 Ų104126.5 Ų126.586%0.8676%0.758SS**  trans-124.8136.2159.900000110.9
3119A29Very low26.9Very low92.5 Ų92.5125.7 Ų125.776%0.76476%0.755SS**  trans-179.7126.4168.900000111.8
3120S26.2Very low26.7Very low101.75 Ų101.75127.8 Ų127.871%0.71277%0.767SS**  138.5107.490.561.90000113.8
3121L26.3Very low26.6Very low175 Ų175124.8 Ų124.892%0.91676%0.76SS**  -155.982.8126.3-74-177.7000108.8
3122N26.2Very low26.5Very low137.5 Ų137.5126.1 Ų126.174%0.73577%0.768SS**  trans-143.6131.7130.9-126.328.1000109.4D3124N3122-D3124 PolarHBondContact ND2-OD1 3.18Å; N3122-D3124 PolarHBondContact ND2-OD2 3.39Å; N3122-D3124 PolarHBondContact O-N 2.66Å; N3122-D3124 VanDerWaalsContact O-N 3.12Å
3123C26.1Very low26.4Very low105.75 Ų105.75124.8 Ų124.872%0.71577%0.771SS**  trans-100.3133.4155.244.70000111.6
3124D26.2Very low26.5Very low129.75 Ų129.75123.9 Ų123.969%0.69478%0.777SS**  trans-148.9138.9133.9-87-34.1000113.2N3122N3122-D3124 PolarHBondContact ND2-OD1 3.18Å; N3122-D3124 PolarHBondContact ND2-OD2 3.39Å; N3122-D3124 PolarHBondContact O-N 2.66Å; N3122-D3124 VanDerWaalsContact O-N 3.12Å
3125T26.1Very low26.6Very low116.75 Ų116.75122.4 Ų122.472%0.71677%0.772SS**  trans-37.5148142.449.20000113.3
3126N26.8Very low26.8Very low136.5 Ų136.5122.8 Ų122.873%0.7377%0.769SS**  -165.3135.4118.9-114.4-29.1000112.3
3127F25.9Very low27Very low176.25 Ų176.25124.1 Ų124.177%0.77377%0.768SS**  trans83.8111.3152.5-80.7-98.3000117.4
3128L25.7Very low27.2Very low153 Ų153124.2 Ų124.280%0.80176%0.763SS**  39.2130.7124.4-78120.2000115.6
3129S27.2Very low27.6Very low96 Ų96124.2 Ų124.267%0.67175%0.749SS**  -170.9149.856.455.70000112.4
3130D25.7Very low27.8Very low148 Ų148124.8 Ų124.879%0.79174%0.739SS**  trans49.9143158.2-56.2-36.2000119.9
3131S26.5Very low28.2Very low101.25 Ų101.25126.3 Ų126.371%0.70874%0.738SS**  trans136.1116130.459.80000116.6
3132T24.8Very low28.5Very low143.75 Ų143.75123.1 Ų123.188%0.88272%0.721SS**  trans47.2106.3139.958.50000120.3
3133G26Very low28.7Very low78.25 Ų78.25121 Ų12181%0.80771%0.71SS**  trans158118.8147.800000114.7
3134A26.9Very low29Very low109 Ų109120.4 Ų120.490%0.90171%0.706SS**  trans-106136.8163.900000111.6
3135S30.2Very low29.2Very low99.25 Ų99.25121 Ų12169%0.69471%0.708SS**  trans-134.4139.3-165.91630000111.4N3137S3135-N3137 PolarHBondContact O-N 3.4Å; S3135-N3137 PolarHBondContact O-OD1 3.27Å
3136N30.6Very low29.4Very low137 Ų137121.3 Ų121.373%0.73371%0.705SS**  trans-71.5105.5165.4-70.4-24.3000113N3138 N3139N3136-N3138 VanDerWaalsContact C-N 3.33Å; N3136-N3138 PolarHBondContact O-N 3.21Å; N3136-N3139 PolarHBondContact O-N 3.1Å
3137N31.4Very low29.6Very low129 Ų129119.6 Ų119.669%0.6970%0.699SS**THydrogen-bonded Turntrans-92.128.5178.8-71.8-8.7000114.5S3135 N3139S3135-N3137 PolarHBondContact O-N 3.4Å; S3135-N3137 PolarHBondContact O-OD1 3.27Å; N3137-N3139 PolarHBondContact O-N 3.06Å
3138N31.6Very low29.8Very low137.25 Ų137.25118.1 Ų118.173%0.73470%0.695SS**THydrogen-bonded Turntrans-88.41.8-177.2-72.8-6.4000113.9N3136N3136-N3138 VanDerWaalsContact C-N 3.33Å; N3136-N3138 PolarHBondContact O-N 3.21Å
3139N33.3Very low29.8Very low104 Ų104114.1 Ų114.156%0.55669%0.69SS**SBendtrans-97.2-18.1-172.7-70.2-21.4000114.5N3136 N3137 L3141 I3142 N3143N3136-N3139 PolarHBondContact O-N 3.1Å; N3137-N3139 PolarHBondContact O-N 3.06Å; N3139-L3141 PolarHBondContact O-N 3.4Å; N3139-I3142 CarbonylContact O-C 3.56Å; N3139-I3142 PolarHBondContact O-N 3.3Å; N3139-N3143 VanDerWaalsContact O-CB 3.31Å; N3139-N3143 WeakPolarHBondContact O-CB 3.27Å; N3139-N3143 PolarHBondContact O-N 3.21Å; N3139-N3143 PolarHBondContact O-ND2 3.41Å; N3139-N3143 VanDerWaalsContact O-ND2 3.15Å
3140D33.9Very low29.9Very low105.5 Ų105.5116.7 Ų116.756%0.56470%0.696SS**Hα-helixtrans-78.5-25.6-171.5-66.6-34.4000114.1I3142 N3143 C3144D3140-I3142 VanDerWaalsContact C-N 3.33Å; D3140-I3142 PolarHBondContact O-N 3.21Å; D3140-N3143 PolarHBondContact O-N 3.13Å; D3140-C3144 WeakPolarHBondContact O-CB 3.48Å; D3140-C3144 PolarHBondContact O-N 2.99Å; D3140-C3144 PolarHBondContact O-SG 3.12Å
3141L33.8Very low30Very low133 Ų133117.8 Ų117.870%0.69670%0.697SS**Hα-helixtrans-71.6-31.4178.7-121.5162.4000112.6N3139 C3144 L3145N3139-L3141 PolarHBondContact O-N 3.4Å; L3141-C3144 PolarHBondContact O-N 2.86Å; L3141-L3145 HydrophobicContact CD2-CD1 4.07Å; L3141-L3145 PolarHBondContact O-N 2.91Å
3142I32.6Very low30Very low108 Ų108119.9 Ų119.955%0.55470%0.7SS**Hα-helixtrans-76.7-37.8177.3-66175.8000110.8N3139 D3140 C3144 L3145 L3146N3139-I3142 CarbonylContact O-C 3.56Å; N3139-I3142 PolarHBondContact O-N 3.3Å; D3140-I3142 VanDerWaalsContact C-N 3.33Å; D3140-I3142 PolarHBondContact O-N 3.21Å; I3142-C3144 VanDerWaalsContact C-N 3.29Å; I3142-C3144 PolarHBondContact O-N 3.08Å; I3142-L3145 CarbonylContact O-C 3.55Å; I3142-L3145 PolarHBondContact O-N 3.08Å; I3142-L3145 VanDerWaalsContact O-N 3.12Å; I3142-L3146 HydrophobicContact CG2-CD1 3.86Å; I3142-L3146 WeakPolarHBondContact O-CB 3.35Å; I3142-L3146 PolarHBondContact O-N 2.94Å
3143N32.4Very low30.2Very low93.25 Ų93.25120.4 Ų120.450%0.49970%0.697SS.*Hα-helixtrans-66.3-33.4175.6-75.9-32.8000112.3N3139 D3140 L3145 L3146 V3147N3139-N3143 VanDerWaalsContact O-CB 3.31Å; N3139-N3143 WeakPolarHBondContact O-CB 3.27Å; N3139-N3143 PolarHBondContact O-N 3.21Å; N3139-N3143 PolarHBondContact O-ND2 3.41Å; N3139-N3143 VanDerWaalsContact O-ND2 3.15Å; D3140-N3143 PolarHBondContact O-N 3.13Å; N3143-L3145 VanDerWaalsContact C-N 3.27Å; N3143-L3145 PolarHBondContact O-N 3.13Å; N3143-L3145 VanDerWaalsContact O-N 3.1Å; N3143-L3146 CarbonylContact O-C 3.3Å; N3143-L3146 PolarHBondContact O-N 2.95Å; N3143-V3147 HydrophobicContact CB-CG2 4.24Å; N3143-V3147 VanDerWaalsContact O-CB 3.25Å; N3143-V3147 WeakPolarHBondContact O-CB 3.31Å; N3143-V3147 VanDerWaalsContact O-CG2 3.28Å; N3143-V3147 WeakPolarHBondContact O-CG2 3.41Å; N3143-V3147 PolarHBondContact O-N 2.93Å
3144C31.4Very low30.4Very low92.75 Ų92.75125.5 Ų125.563%0.62770%0.7SS**THydrogen-bonded Turntrans-66.9-20.5175.6-71.10000114D3140 L3141 I3142D3140-C3144 WeakPolarHBondContact O-CB 3.48Å; D3140-C3144 PolarHBondContact O-N 2.99Å; D3140-C3144 PolarHBondContact O-SG 3.12Å; L3141-C3144 PolarHBondContact O-N 2.86Å; I3142-C3144 VanDerWaalsContact C-N 3.29Å; I3142-C3144 PolarHBondContact O-N 3.08Å
3145L30Very low30.4Very low142.5 Ų142.5128.4 Ų128.475%0.74670%0.695SS**Hα-helixtrans-93-13.5-179.6-78.2163.1000114.2L3141 I3142 N3143L3141-L3145 HydrophobicContact CD2-CD1 4.07Å; L3141-L3145 PolarHBondContact O-N 2.91Å; I3142-L3145 CarbonylContact O-C 3.55Å; I3142-L3145 PolarHBondContact O-N 3.08Å; I3142-L3145 VanDerWaalsContact O-N 3.12Å; N3143-L3145 VanDerWaalsContact C-N 3.27Å; N3143-L3145 PolarHBondContact O-N 3.13Å; N3143-L3145 VanDerWaalsContact O-N 3.1Å
3146L30.1Very low30.2Very low124 Ų124130.8 Ų130.865%0.64970%0.699SS**Hα-helixtrans-107.9-8.7-174.1-83.3161000115.2I3142 N3143 H3148 G3149I3142-L3146 HydrophobicContact CG2-CD1 3.86Å; I3142-L3146 WeakPolarHBondContact O-CB 3.35Å; I3142-L3146 PolarHBondContact O-N 2.94Å; N3143-L3146 CarbonylContact O-C 3.3Å; N3143-L3146 PolarHBondContact O-N 2.95Å; L3146-H3148 VanDerWaalsContact C-N 3.26Å; L3146-H3148 PolarHBondContact O-N 2.97Å; L3146-G3149 PolarHBondContact O-N 3.01Å
3147V32.1Very low30.1Very low100.25 Ų100.25129.6 Ų129.661%0.60870%0.697SS**G310 helixtrans-85.2-4-169.7169.20000113.6N3143 G3149N3143-V3147 HydrophobicContact CB-CG2 4.24Å; N3143-V3147 VanDerWaalsContact O-CB 3.25Å; N3143-V3147 WeakPolarHBondContact O-CB 3.31Å; N3143-V3147 VanDerWaalsContact O-CG2 3.28Å; N3143-V3147 WeakPolarHBondContact O-CG2 3.41Å; N3143-V3147 PolarHBondContact O-N 2.93Å; V3147-G3149 VanDerWaalsContact C-N 3.29Å; V3147-G3149 PolarHBondContact O-N 3.17Å; V3147-G3149 VanDerWaalsContact O-N 3.14Å
3148H29.2Very low29.8Very low145.75 Ų145.75129.6 Ų129.668%0.67570%0.701SS**G310 helixtrans-100.216.9171.3-97.1-64.8000114.8G2991 R2992 S2993 L3146G2991-H3148 VanDerWaalsContact CA-CE1 3.47Å; G2991-H3148 WeakPolarHBondContact CA-CE1 3.17Å; R2992-H3148 PolarHBondContact O-NE2 3.37Å; S2993-H3148 PolarHBondContact N-CE1 3.23Å; L3146-H3148 VanDerWaalsContact C-N 3.26Å; L3146-H3148 PolarHBondContact O-N 2.97Å
3149G27.2Very low29.8Very low68 Ų68128.5 Ų128.570%0.70171%0.705SS**SBendtrans-109.134.6-176.200000115.3L3146 V3147L3146-G3149 PolarHBondContact O-N 3.01Å; V3147-G3149 VanDerWaalsContact C-N 3.29Å; V3147-G3149 PolarHBondContact O-N 3.17Å; V3147-G3149 VanDerWaalsContact O-N 3.14Å
3150N27.5Very low29.5Very low151.75 Ų151.75132.8 Ų132.881%0.81172%0.724SS**  trans-172.890.1178.6-125.3-15.8000117.4
3151Q27.8Very low29.3Very low170.25 Ų170.25131.7 Ų131.780%0.79674%0.737SS**  trans-148.890.3156.6-65.1-162.34.200112.7
3152N27.5Very low29Very low144.5 Ų144.5128.8 Ų128.877%0.77374%0.74SS**  trans-157.1113.8151.7-84.8-31.6000110.4
3153N28.3Very low28.8Very low156 Ų156131.8 Ų131.883%0.83476%0.755SS**  trans161.189.7149.4-79.7-26000113
3154Q29.8Very low28.6Very low185.5 Ų185.5131.6 Ų131.687%0.86777%0.767SS**  trans-160.3104.4148.8-71.7-170.211.400112.9
3155H28.1Very low28.6Very low169.75 Ų169.75133.6 Ų133.679%0.78678%0.776SS**  trans136119.7135.2-141.9-98.2000115.6T3157H3155-T3157 WeakPolarHBondContact ND1-CG2 3.26Å; H3155-T3157 PolarHBondContact O-N 2.86Å
3156L25.8Very low28.7Very low149.75 Ų149.75133.1 Ų133.178%0.78478%0.779SS**  trans-72.9118.7168.4-98.186.9000110.6T3158L3156-T3158 PolarHBondContact O-N 2.69Å
3157T27.7Very low29Very low111.25 Ų111.25132.2 Ų132.268%0.68378%0.781SS**  trans123118.914457.20000112.4H3155H3155-T3157 WeakPolarHBondContact ND1-CG2 3.26Å; H3155-T3157 PolarHBondContact O-N 2.86Å
3158T26.7Very low28.9Very low128 Ų128135.3 Ų135.379%0.78579%0.794SS**  trans-113.5125.7142.547.80000115.1L3156L3156-T3158 PolarHBondContact O-N 2.69Å
3159S30.1Very low29.1Very low115.75 Ų115.75132.3 Ų132.381%0.80980%0.802SS**  trans-163133.3141.255.10000114.2
3160M28Very low29.1Very low192.5 Ų192.5133.1 Ų133.195%0.94881%0.81SS**  trans-91.7139.6151.7-76.6-97.3178.800114.8
3161G28.7Very low29.2Very low82.25 Ų82.25129.8 Ų129.885%0.84881%0.813SS**  trans129.4115150.800000115.8
3162G28.6Very low29.1Very low73.25 Ų73.25125.4 Ų125.476%0.75581%0.813SS**  trans-143.7149.6168.500000115.2
3163I28.7Very low29.3Very low171 Ų171124.4 Ų124.488%0.87782%0.817SS**  trans138.7134138.8-76.3166.3000111.8
3164A27.7Very low29.3Very low89.25 Ų89.25122.5 Ų122.574%0.73882%0.816SS**  trans169.3138.1169.200000114.8
3165T31.9Very low29.2Very low133.75 Ų133.75117 Ų11782%0.82181%0.809SS**  -151.7147.483.333.90000111.5
3166T30.7Very low29.1Very low132.5 Ų132.5119 Ų11981%0.81382%0.816SS**  trans-126.4161.3166.252.80000113.6
3167P36.9Very low29Very low105 Ų105115.6 Ų115.668%0.68282%0.817SS**  trans-131.4-179-159.937.7-20.8000115.3
3168N30.8Very low28.9Very low164.5 Ų164.5117.5 Ų117.588%0.8882%0.822SS**  trans99.5128.6147.7-71.4-19.6000118.8
3169G31.8Very low28.8Very low82.75 Ų82.75114.6 Ų114.685%0.85382%0.817SS**  trans142.1118.6164.300000114.2
3170G28.2Very low28.7Very low85 Ų85116.3 Ų116.388%0.87682%0.816SS**  163.7113.5-85.500000115.2
3171G28.6Very low28.6Very low83.25 Ų83.25114.1 Ų114.186%0.85881%0.806SS**  trans124136.217400000113.4
3172G27.3Very low28.6Very low78 Ų78114.9 Ų114.980%0.80480%0.799SS**  trans122.380.516400000119.2
3173S29.8Very low28.6Very low123 Ų123117.7 Ų117.786%0.8680%0.797SS**  trans89.4132.7158.5-158.50000117.1
3174S28.5Very low28.7Very low117 Ų117115.7 Ų115.782%0.81879%0.788SS**  trans96.1136.9167.960.50000114.3
3175G28Very low29Very low69.25 Ų69.25121.8 Ų121.871%0.71479%0.792SS**  trans-167127.5168.900000113.1
3176F25.5Very low29.2Very low212 Ų212119.5 Ų119.593%0.9378%0.781SS**  trans-44.6104.9155.1-88.9-83.8000113.4I3178F3176-I3178 PolarHBondContact O-N 2.89Å; F3176-I3178 VanDerWaalsContact O-N 3.15Å
3177G24.7Very low29.7Very low77.75 Ų77.75118.2 Ų118.280%0.80277%0.773SS**  trans-81.5122.3173.300000112.3G3179G3177-G3179 PolarHBondContact O-N 3.27Å
3178I26.2Very low30.4Very low152.75 Ų152.75116.8 Ų116.878%0.78377%0.766SS**  trans-92.5109.1162.5-59.4175.8000106.4F3176 L3180F3176-I3178 PolarHBondContact O-N 2.89Å; F3176-I3178 VanDerWaalsContact O-N 3.15Å; I3178-L3180 HydrophobicContact CG2-CD2 3.77Å; I3178-L3180 HydrophobicContact CG2-CG 4.02Å; I3178-L3180 PolarHBondContact O-N 3.13Å
3179G24.7Very low31.8Very low66 Ų66113 Ų11368%0.6874%0.743SS**  trans-70.792.3162.800000111.1G3177 I3181G3177-G3179 PolarHBondContact O-N 3.27Å; G3179-I3181 VanDerWaalsContact C-N 3.29Å; G3179-I3181 PolarHBondContact O-N 3.35Å
3180L26.4Very low33.5Very low151 Ų151114.1 Ų114.179%0.79173%0.728SS**  trans-89.988.7170.6-68.1173.9000109.6I3178 S3182I3178-L3180 HydrophobicContact CG2-CD2 3.77Å; I3178-L3180 HydrophobicContact CG2-CG 4.02Å; I3178-L3180 PolarHBondContact O-N 3.13Å; L3180-S3182 PolarHBondContact O-N 3.43Å; L3180-S3182 PolarHBondContact O-OG 3.15Å
3181I27.8Very low35.5Very low147 Ų147110.1 Ų110.175%0.75469%0.686SS**  trans-56.8115.6157.5-62.2171.1000109.7G3179 D3183G3179-I3181 VanDerWaalsContact C-N 3.29Å; G3179-I3181 PolarHBondContact O-N 3.35Å; I3181-D3183 VanDerWaalsContact C-N 3.34Å; I3181-D3183 HydrophobicContact CG2-CB 3.72Å; I3181-D3183 WeakPolarHBondContact CG2-OD2 3.46Å; I3181-D3183 PolarHBondContact O-N 2.84Å
3182S27.9Very low37.8Very low98.5 Ų98.5111.3 Ų111.369%0.68967%0.665SS**  trans-11297.7-178-68.30000111.6L3180 D3184L3180-S3182 PolarHBondContact O-N 3.43Å; L3180-S3182 PolarHBondContact O-OG 3.15Å; S3182-D3184 VanDerWaalsContact C-N 3.25Å; S3182-D3184 PolarHBondContact O-N 3.17Å; S3182-D3184 VanDerWaalsContact O-N 3.15Å
3183D28.1Very low40.5Very low132.75 Ų132.75108.9 Ų108.971%0.7163%0.634SS**  trans-7460.3168-77.6-34.8000115.8I3181 R3185 S3186I3181-D3183 VanDerWaalsContact C-N 3.34Å; I3181-D3183 HydrophobicContact CG2-CB 3.72Å; I3181-D3183 WeakPolarHBondContact CG2-OD2 3.46Å; I3181-D3183 PolarHBondContact O-N 2.84Å; D3183-R3185 PolarHBondContact O-N 2.96Å; D3183-S3186 PolarHBondContact O-N 3.23Å; D3183-S3186 PolarHBondContact O-OG 3.03Å
3184D30.2Very low43Very low129.5 Ų129.5103.3 Ų103.369%0.69359%0.594SS**  trans-88.626174.9-135.63.8000112.9S2993 S3182 S3186S2993-D3184 WeakPolarHBondContact CB-OD2 3.48Å; S3182-D3184 VanDerWaalsContact C-N 3.25Å; S3182-D3184 PolarHBondContact O-N 3.17Å; S3182-D3184 VanDerWaalsContact O-N 3.15Å; D3184-S3186 VanDerWaalsContact C-N 3.29Å
3185R34.1Very low45.8Very low217.25 Ų217.25100.5 Ų100.582%0.8257%0.567SS**THydrogen-bonded Turntrans-100.4-4179.6-93.7-177.2165.8-173.9-5.1114.5D3183D3183-R3185 PolarHBondContact O-N 2.96Å
3186S37.7Very low48.7Very low85.75 Ų85.7597.7 Ų97.760%0.654%0.535SS*.SBendtrans-87.6-20.8-16951.10000114.9D3183 D3184 S3188D3183-S3186 PolarHBondContact O-N 3.23Å; D3183-S3186 PolarHBondContact O-OG 3.03Å; D3184-S3186 VanDerWaalsContact C-N 3.29Å; S3186-S3188 VanDerWaalsContact C-N 3.26Å; S3186-S3188 PolarHBondContact O-N 2.96Å
3187T40.7Very low51.8Low104.25 Ų104.2590.2 Ų90.264%0.6450%0.502SS*.SBendtrans-83-7-174.359.60000114.7Q3189T3187-Q3189 PolarHBondContact O-N 2.8Å
3188S51Low54.9Low75 Ų7586.5 Ų86.552%0.52447%0.465SS..SBendtrans-101.4-5.9-175.139.40000115.1Q2964 S3186Q2964-S3188 WeakPolarHBondContact CG-O 3.18Å; S3186-S3188 VanDerWaalsContact C-N 3.26Å; S3186-S3188 PolarHBondContact O-N 2.96Å
3189Q61Low57.9Low86.25 Ų86.2586.2 Ų86.240%0.40345%0.454SS..  trans-121.285.2-173.5-134.3176.523.500111.7T2628 Q2964 T3187 G3191T2628-Q3189 HydrophobicContact CG2-CB 4.01Å; T2628-Q3189 HydrophobicContact CG2-CG 4.03Å; T2628-Q3189 WeakPolarHBondContact CG2-O 3.43Å; T2628-Q3189 VanDerWaalsContact CG2-OE1 3.23Å; T2628-Q3189 WeakPolarHBondContact OG1-CB 3.43Å; T2628-Q3189 VanDerWaalsContact OG1-CG 3.27Å; T2628-Q3189 WeakPolarHBondContact OG1-CG 3.31Å; T2628-Q3189 PolarHBondContact OG1-O 3.16Å; Q2964-Q3189 VanDerWaalsContact OE1-C 3.3Å; Q2964-Q3189 VanDerWaalsContact OE1-CA 3.26Å; Q2964-Q3189 VanDerWaalsContact OE1-CG 3.32Å; T3187-Q3189 PolarHBondContact O-N 2.8Å; Q3189-G3191 PolarHBondContact O-N 3.05Å
3190I66.4Low60.9Low104.5 Ų104.583 Ų8354%0.53642%0.421SS..  trans-58.2-29.2179-83.1167.4000112.1L2621 L2625 A2960 Q2964L2621-I3190 HydrophobicContact CD2-CG2 4.05Å; L2621-I3190 VanDerWaalsContact CD2-O 3.31Å; L2621-I3190 WeakPolarHBondContact CD2-O 3.34Å; L2625-I3190 HydrophobicContact CD1-CG2 3.99Å; A2960-I3190 HydrophobicContact CB-CD1 4.4Å; A2960-I3190 HydrophobicContact CB-CG2 4.35Å; Q2964-I3190 VanDerWaalsContact NE2-N 3.14Å
3191G71.6Confident63.6Low0.5 Ų0.576.3 Ų76.31%0.00539%0.387CS..  trans164.7170177.800000111.8I2626 Q2964 Q3189I2626-G3191 CarbonylContact O-C 3.44Å; I2626-G3191 VanDerWaalsContact O-CA 3.29Å; I2626-G3191 WeakPolarHBondContact O-CA 3.44Å; Q2964-G3191 PolarHBondContact NE2-O 3.22Å; Q2964-G3191 VanDerWaalsContact NE2-O 3.14Å; Q2964-G3191 VanDerWaalsContact OE1-N 3.15Å; Q2964-G3191 PolarHBondContact OE1-O 2.98Å; Q2964-G3191 VanDerWaalsContact OE1-O 3.09Å; Q3189-G3191 PolarHBondContact O-N 3.05Å
3192R76.7Confident65.9Low108.25 Ų108.2570.1 Ų70.141%0.40835%0.354SS..EExtended strand (participates in β ladder)trans-108.4151.9174.2-44.5-178.7-177.9158.74.4110L2625 I2626 A2638 H3194L2625-R3192 CarbonylContact C-O 3.56Å; L2625-R3192 WeakPolarHBondContact CA-O 3.33Å; L2625-R3192 WeakPolarHBondContact CD2-O 3.29Å; I2626-R3192 HydrophobicContact CD1-CG 3.83Å; I2626-R3192 HydrophobicContact CG1-CG 3.57Å; I2626-R3192 VanDerWaalsContact CG1-O 3.3Å; I2626-R3192 WeakPolarHBondContact CG1-O 3.43Å; I2626-R3192 PolarHBondContact N-O 3.07Å; I2626-R3192 PolarHBondContact O-N 2.98Å; A2638-R3192 PolarHBondContact O-NH2 3.49Å; R3192-H3194 PolarHBondContact O-N 3.21Å
3193L82.5Confident67.7Low29 Ų2967.1 Ų67.115%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-64134.8176.3-171.965.7000110.6R2958 T2961 K3195 E3250R2958-L3193 HydrophobicContact CG-CD1 3.85Å; R2958-L3193 HydrophobicContact CG-CD2 4.15Å; T2961-L3193 HydrophobicContact CG2-CB 4.38Å; L3193-K3195 PolarHBondContact O-N 3.12Å; L3193-E3250 HydrophobicContact CD2-CB 3.92Å; L3193-E3250 HydrophobicContact CG-CB 4.35Å
3194H83Confident69Low5.25 Ų5.2562 Ų622%0.02430%0.304CS..PPolyproline II helixtrans-72.1128.7176.1178.4-108.8000111W2612 G2624 I2626 T2642 R3192 E3196 S3249 E3250W2612-H3194 AromaticContact CD1-CD2 3.58Å; W2612-H3194 AromaticContact CD1-CE1 3.74Å; W2612-H3194 AromaticContact CD1-CG 3.7Å; W2612-H3194 AromaticContact CD1-ND1 3.81Å; W2612-H3194 AromaticContact CD1-NE2 3.62Å; W2612-H3194 AromaticContact CD2-CD2 3.81Å; W2612-H3194 AromaticContact CD2-NE2 3.98Å; W2612-H3194 AromaticContact CE2-CD2 3.97Å; W2612-H3194 AromaticContact CE2-ND1 3.66Å; W2612-H3194 AromaticContact CG-CD2 3.57Å; W2612-H3194 AromaticContact CG-CE1 3.92Å; W2612-H3194 AromaticContact CG-NE2 3.92Å; W2612-H3194 AromaticContact NE1-CD2 3.77Å; W2612-H3194 AromaticContact NE1-CE1 3.83Å; W2612-H3194 AromaticContact NE1-CG 3.39Å; W2612-H3194 AromaticContact NE1-ND1 3.44Å; W2612-H3194 PolarHBondContact NE1-ND1 2.71Å; G2624-H3194 VanDerWaalsContact O-CB 3.31Å; G2624-H3194 WeakPolarHBondContact O-CB 3.37Å; G2624-H3194 PolarHBondContact O-N 3.31Å; I2626-H3194 HydrophobicContact CD1-CB 3.92Å; I2626-H3194 HydrophobicContact CG1-CB 3.78Å; I2626-H3194 HydrophobicContact CG2-CB 4.23Å; T2642-H3194 WeakPolarHBondContact CG2-NE2 3.47Å; T2642-H3194 PolarHBondContact OG1-CE1 3.03Å; T2642-H3194 PolarHBondContact OG1-NE2 3.34Å; R3192-H3194 PolarHBondContact O-N 3.21Å; H3194-E3196 VanDerWaalsContact CE1-CG 3.43Å; H3194-E3196 WeakPolarHBondContact CE1-CG 3.27Å; H3194-E3196 IonicContact CE1-OE1 3.25Å; H3194-E3196 PolarHBondContact CE1-OE1 2.92Å; H3194-E3196 IonicContact ND1-OE1 2.68Å; H3194-E3196 PolarHBondContact ND1-OE1 2.82Å; H3194-S3249 CarbonylContact O-C 3.45Å; H3194-S3249 VanDerWaalsContact O-CA 3.25Å; H3194-S3249 WeakPolarHBondContact O-CA 3.31Å; H3194-S3249 WeakPolarHBondContact O-CB 3.23Å; H3194-E3250 PolarHBondContact O-N 3.19Å
3195K87.7Confident69.6Low59 Ų5961.6 Ų61.626%0.25730%0.298SS..EExtended strand (participates in β ladder)trans-101.2139175.1-66.6172.1172.8-82.80110.8G2640 T2641 T2642 L3193 E3250 E3252G2640-K3195 PolarHBondContact O-N 3.2Å; T2641-K3195 CarbonylContact C-O 3.56Å; T2641-K3195 VanDerWaalsContact CA-O 3.29Å; T2641-K3195 WeakPolarHBondContact CA-O 3.42Å; T2641-K3195 HydrophobicContact CG2-CB 3.7Å; T2642-K3195 PolarHBondContact N-O 3.02Å; L3193-K3195 PolarHBondContact O-N 3.12Å; K3195-E3250 CarbonylContact C-O 3.55Å; K3195-E3250 VanDerWaalsContact CA-O 3.3Å; K3195-E3250 WeakPolarHBondContact CA-O 3.36Å; K3195-E3250 VanDerWaalsContact CE-OE2 3.25Å; K3195-E3250 WeakPolarHBondContact CE-OE2 3.3Å; K3195-E3250 HydrophobicContact CG-CB 4.18Å; K3195-E3250 IonicContact NZ-OE1 3.04Å; K3195-E3250 PolarHBondContact NZ-OE1 3.22Å; K3195-E3250 IonicContact NZ-OE2 3.08Å; K3195-E3250 PolarHBondContact NZ-OE2 3.04Å; K3195-E3252 WeakPolarHBondContact CD-OE1 3.44Å; K3195-E3252 WeakPolarHBondContact CE-OE1 3.37Å; K3195-E3252 IonicContact NZ-OE1 3Å; K3195-E3252 PolarHBondContact NZ-OE1 2.98Å
3196E89.1Confident70.2Confident9 Ų954.1 Ų54.14%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-117.8116.8173.7-77.8175.9169.100109.1T2642 H3194 H3244 R3247 S3249 E3250 L3251 E3252T2642-E3196 CarbonylContact O-C 3.56Å; T2642-E3196 WeakPolarHBondContact O-CA 3.38Å; H3194-E3196 VanDerWaalsContact CE1-CG 3.43Å; H3194-E3196 WeakPolarHBondContact CE1-CG 3.27Å; H3194-E3196 IonicContact CE1-OE1 3.25Å; H3194-E3196 PolarHBondContact CE1-OE1 2.92Å; H3194-E3196 IonicContact ND1-OE1 2.68Å; H3194-E3196 PolarHBondContact ND1-OE1 2.82Å; E3196-H3244 IonicContact OE2-CD2 3.03Å; E3196-H3244 PolarHBondContact OE2-CD2 3.21Å; E3196-H3244 IonicContact OE2-CE1 2.79Å; E3196-H3244 IonicContact OE2-NE2 3.22Å; E3196-H3244 PolarHBondContact OE2-NE2 2.96Å; E3196-R3247 IonicContact OE1-CZ 3.83Å; E3196-R3247 IonicContact OE1-NE 3.68Å; E3196-R3247 IonicContact OE1-NH1 2.94Å; E3196-R3247 PolarHBondContact OE1-NH1 2.8Å; E3196-R3247 VanDerWaalsContact OE2-CD 3.28Å; E3196-R3247 WeakPolarHBondContact OE2-CD 3.25Å; E3196-R3247 IonicContact OE2-CZ 2.82Å; E3196-R3247 IonicContact OE2-NE 3.39Å; E3196-R3247 IonicContact OE2-NH1 3.58Å; E3196-R3247 PolarHBondContact OE2-NH1 2.95Å; E3196-S3249 VanDerWaalsContact CD-OG 3.25Å; E3196-S3249 WeakPolarHBondContact OE1-CB 3.49Å; E3196-S3249 PolarHBondContact OE1-OG 3.31Å; E3196-S3249 VanDerWaalsContact OE2-CB 3.29Å; E3196-S3249 WeakPolarHBondContact OE2-CB 3.43Å; E3196-S3249 PolarHBondContact OE2-OG 3.22Å; E3196-E3250 PolarHBondContact N-O 3.23Å; E3196-L3251 CarbonylContact O-C 3.48Å; E3196-E3252 PolarHBondContact O-N 3.32Å
3197F89.6Confident70.6Confident54 Ų5452.3 Ų52.324%0.23726%0.255CS..EExtended strand (participates in β ladder)trans-94.3133177.379.8-94000111.6T2641 T2642 A2643 Y2644 E3252T2641-F3197 HydrophobicContact CG2-CB 3.85Å; T2641-F3197 HydrophobicContact CG2-CD1 3.71Å; T2641-F3197 HydrophobicContact CG2-CG 4.26Å; T2642-F3197 VanDerWaalsContact O-CD1 3.23Å; T2642-F3197 WeakPolarHBondContact O-CD1 3.41Å; T2642-F3197 PolarHBondContact O-N 3.22Å; A2643-F3197 HydrophobicContact CB-CD1 4.32Å; A2643-F3197 HydrophobicContact CB-CE1 3.62Å; A2643-F3197 HydrophobicContact CB-CE2 4.03Å; A2643-F3197 HydrophobicContact CB-CZ 3.46Å; A2643-F3197 VanDerWaalsContact CB-CZ 3.43Å; Y2644-F3197 PolarHBondContact N-O 3.19Å; F3197-E3252 CarbonylContact C-O 3.52Å; F3197-E3252 VanDerWaalsContact CA-O 3.26Å; F3197-E3252 WeakPolarHBondContact CA-O 3.29Å; F3197-E3252 HydrophobicContact CB-CB 4.15Å
3198V90.6Very high70.7Confident2 Ų251.7 Ų51.71%0.01225%0.248CC..EExtended strand (participates in β ladder)trans-119.7140.3-179.6-173.60000110Y2644 L2646 I3200 L3240 L3251 E3252 I3253 Q3254Y2644-V3198 HydrophobicContact CD1-CG2 3.87Å; Y2644-V3198 HydrophobicContact CG-CG2 4.38Å; L2646-V3198 HydrophobicContact CD1-CG1 4.48Å; L2646-V3198 HydrophobicContact CG-CG1 4.38Å; V3198-I3200 HydrophobicContact CG1-CG1 4.25Å; V3198-I3200 HydrophobicContact CG1-CG2 3.88Å; V3198-L3240 HydrophobicContact CB-CD1 4.31Å; V3198-L3240 HydrophobicContact CB-CD2 4.3Å; V3198-L3240 HydrophobicContact CG1-CD1 4.06Å; V3198-L3240 HydrophobicContact CG1-CD2 4.13Å; V3198-L3240 HydrophobicContact CG2-CD1 3.81Å; V3198-L3240 HydrophobicContact CG2-CD2 4.4Å; V3198-L3251 HydrophobicContact CB-CD1 4.31Å; V3198-L3251 HydrophobicContact CG2-CD1 3.6Å; V3198-E3252 PolarHBondContact N-O 2.94Å; V3198-I3253 HydrophobicContact CB-CD1 4.4Å; V3198-Q3254 PolarHBondContact O-N 3.09Å
3199R88.6Confident70.4Confident145.25 Ų145.2551.4 Ų51.455%0.54824%0.243SC..EExtended strand (participates in β ladder)trans-99.2122.8172.2-68.4-177.7-117.4-171.72110.5Q3254 I3256R3199-Q3254 CarbonylContact C-O 3.5Å; R3199-Q3254 VanDerWaalsContact CA-O 3.28Å; R3199-Q3254 WeakPolarHBondContact CA-O 3.28Å; R3199-Q3254 HydrophobicContact CG-CB 4.13Å; R3199-Q3254 HydrophobicContact CG-CG 4.22Å; R3199-Q3254 VanDerWaalsContact CZ-OE1 3.26Å; R3199-I3256 HydrophobicContact CB-CD1 4.31Å; R3199-I3256 HydrophobicContact CB-CG1 3.98Å
3200I88.2Confident69.6Low0 Ų052.6 Ų52.60%025%0.248CC..EExtended strand (participates in β ladder)trans-128.9143.4179.1-7.6-178.9000110.1V3198 F3233 W3236 L3240 I3253 Q3254 F3255 I3256 F3269V3198-I3200 HydrophobicContact CG1-CG1 4.25Å; V3198-I3200 HydrophobicContact CG1-CG2 3.88Å; I3200-F3233 HydrophobicContact CD1-CE2 3.94Å; I3200-F3233 HydrophobicContact CG2-CD2 4.14Å; I3200-F3233 HydrophobicContact CG2-CE2 3.93Å; I3200-W3236 HydrophobicContact CG1-CE3 4.37Å; I3200-W3236 HydrophobicContact CG2-CB 4.26Å; I3200-L3240 HydrophobicContact CD1-CB 4Å; I3200-L3240 HydrophobicContact CD1-CD2 3.44Å; I3200-L3240 VanDerWaalsContact CD1-CD2 3.44Å; I3200-L3240 HydrophobicContact CD1-CG 4.34Å; I3200-L3240 HydrophobicContact CG2-CD2 3.98Å; I3200-I3253 HydrophobicContact CD1-CD1 4.39Å; I3200-I3253 HydrophobicContact CD1-CG2 3.64Å; I3200-I3253 HydrophobicContact CG1-CG2 3.86Å; I3200-Q3254 PolarHBondContact N-O 3.18Å; I3200-Q3254 VanDerWaalsContact N-O 3.12Å; I3200-F3255 HydrophobicContact CD1-CD1 4.24Å; I3200-F3255 HydrophobicContact CD1-CE1 3.83Å; I3200-F3255 HydrophobicContact CG1-CD1 3.87Å; I3200-F3255 HydrophobicContact CG1-CE1 3.99Å; I3200-F3255 CarbonylContact O-C 3.58Å; I3200-F3255 VanDerWaalsContact O-CA 3.29Å; I3200-F3255 WeakPolarHBondContact O-CA 3.4Å; I3200-I3256 WeakPolarHBondContact O-CG1 3.34Å; I3200-I3256 PolarHBondContact O-N 3.07Å; I3200-F3269 HydrophobicContact CD1-CD2 3.63Å; I3200-F3269 HydrophobicContact CD1-CE2 3.67Å; I3200-F3269 HydrophobicContact CD1-CG 4.19Å; I3200-F3269 HydrophobicContact CD1-CZ 4.49Å
3201P84.2Confident68.4Low10 Ų1052.4 Ų52.47%0.06525%0.248CC..  trans-70.6141.3169.630.5-32.8000110.2E3206 L3207 W3236 I3256P3201-E3206 VanDerWaalsContact CA-OE2 3.26Å; P3201-E3206 WeakPolarHBondContact CA-OE2 3.46Å; P3201-L3207 HydrophobicContact CB-CD1 3.85Å; P3201-L3207 HydrophobicContact CB-CG 4.34Å; P3201-L3207 HydrophobicContact CG-CD1 3.85Å; P3201-L3207 HydrophobicContact CG-CD2 4.48Å; P3201-W3236 HydrophobicContact CG-CB 4.45Å; P3201-W3236 VanDerWaalsContact CG-CD1 3.44Å; P3201-W3236 HydrophobicContact CG-CD2 3.85Å; P3201-W3236 HydrophobicContact CG-CG 3.76Å; P3201-W3236 HydrophobicContact CG-CZ2 4.35Å; P3201-I3256 HydrophobicContact CB-CD1 4.46Å
3202R75.6Confident67Low16.6667 Ų16.666755.8 Ų55.86%0.06327%0.269CS..SBendtrans-80.9-46170.6-175.2-171.4-71.6-104.13.2110.6E3206 F3255 E3258 E3268 L3272 V3307R3202-E3206 PolarHBondContact N-OE2 2.7Å; R3202-F3255 HydrophobicContact CB-CB 4.49Å; R3202-F3255 HydrophobicContact CB-CD1 3.76Å; R3202-F3255 HydrophobicContact CB-CE1 4.29Å; R3202-F3255 HydrophobicContact CB-CG 4.29Å; R3202-F3255 HydrophobicContact CG-CD1 4.37Å; R3202-F3255 HydrophobicContact CG-CE1 4.42Å; R3202-F3255 VanDerWaalsContact NH2-CD2 3.3Å; R3202-E3258 WeakPolarHBondContact CB-OE1 3.46Å; R3202-E3258 VanDerWaalsContact CD-OE1 3.23Å; R3202-E3258 WeakPolarHBondContact CD-OE1 3.35Å; R3202-E3258 IonicContact CZ-OE1 2.71Å; R3202-E3258 IonicContact CZ-OE2 3.21Å; R3202-E3258 IonicContact NE-OE1 2.96Å; R3202-E3258 PolarHBondContact NE-OE1 3.18Å; R3202-E3258 IonicContact NE-OE2 2.71Å; R3202-E3258 PolarHBondContact NE-OE2 3.43Å; R3202-E3258 IonicContact NH2-OE1 3.64Å; R3202-E3258 PolarHBondContact NH2-OE1 2.8Å; R3202-E3258 VanDerWaalsContact NH2-OE1 3.16Å; R3202-E3258 IonicContact NH2-OE2 3.37Å; R3202-E3258 PolarHBondContact NH2-OE2 2.97Å; R3202-E3268 IonicContact CZ-OE1 3.33Å; R3202-E3268 IonicContact CZ-OE2 3.21Å; R3202-E3268 IonicContact NH1-OE1 3.36Å; R3202-E3268 PolarHBondContact NH1-OE1 3.09Å; R3202-E3268 IonicContact NH1-OE2 3.59Å; R3202-E3268 VanDerWaalsContact NH2-CD 3.32Å; R3202-E3268 IonicContact NH2-OE1 3.64Å; R3202-E3268 PolarHBondContact NH2-OE1 3.02Å; R3202-E3268 IonicContact NH2-OE2 3.57Å; R3202-E3268 PolarHBondContact NH2-OE2 3.04Å; R3202-L3272 HydrophobicContact CG-CD1 4.09Å; R3202-V3307 HydrophobicContact CG-CG1 4.26Å
3203L65.7Low65.4Low35.6667 Ų35.666754.3 Ų54.319%0.18728%0.275CS..SBendtrans-118.4144.4-178.5-68.2137.7000110.9H3205 E3206 L3207 V3307 A3311 I3313 I3804L3203-H3205 HydrophobicContact CB-CB 4.46Å; L3203-H3205 PolarHBondContact O-N 3.11Å; L3203-H3205 VanDerWaalsContact O-N 3.11Å; L3203-E3206 HydrophobicContact CB-CG 4.23Å; L3203-E3206 PolarHBondContact N-OE1 2.65Å; L3203-E3206 PolarHBondContact N-OE2 3.1Å; L3203-E3206 WeakPolarHBondContact O-CB 3.25Å; L3203-E3206 PolarHBondContact O-N 2.69Å; L3203-E3206 VanDerWaalsContact O-N 3.09Å; L3203-L3207 HydrophobicContact CB-CD1 4.47Å; L3203-L3207 HydrophobicContact CD1-CD1 4.35Å; L3203-L3207 HydrophobicContact CD2-CD1 4.02Å; L3203-V3307 HydrophobicContact CD1-CG1 3.67Å; L3203-V3307 HydrophobicContact CD2-CG1 4.18Å; L3203-V3307 WeakPolarHBondContact CD2-O 3.39Å; L3203-A3311 HydrophobicContact CD2-CB 3.58Å; L3203-A3311 HydrophobicContact CG-CB 3.69Å; L3203-I3313 HydrophobicContact CD2-CD1 4.26Å; L3203-I3804 HydrophobicContact CD1-CG2 4.22Å
3204P54.5Low63.5Low25.6667 Ų25.666760.9 Ų60.917%0.16730%0.302CS..Hα-helixtrans-53.5-25171.7-22.732.1000112.1E3206 L3207 L3208 L3231P3204-E3206 PolarHBondContact O-N 3.1Å; P3204-L3207 WeakPolarHBondContact O-CB 3.03Å; P3204-L3207 PolarHBondContact O-N 3.22Å; P3204-L3208 PolarHBondContact O-N 3.07Å; P3204-L3208 VanDerWaalsContact O-N 3.08Å; P3204-L3231 WeakPolarHBondContact CB-O 3.46Å; P3204-L3231 WeakPolarHBondContact CG-O 3.31Å
3205H44.1Very low61.5Low121.333 Ų121.33369.5 Ų69.556%0.56234%0.336SS*.Hα-helixtrans-59.5-22.1-178.4-154.4-82000113.8L3203 L3207 L3208 T3209L3203-H3205 HydrophobicContact CB-CB 4.46Å; L3203-H3205 PolarHBondContact O-N 3.11Å; L3203-H3205 VanDerWaalsContact O-N 3.11Å; H3205-L3207 VanDerWaalsContact C-N 3.34Å; H3205-L3207 PolarHBondContact O-N 2.88Å; H3205-L3208 PolarHBondContact O-N 2.97Å; H3205-T3209 PolarHBondContact CE1-OG1 3.2Å; H3205-T3209 VanDerWaalsContact CE1-OG1 3.25Å; H3205-T3209 PolarHBondContact ND1-OG1 3.39Å; H3205-T3209 VanDerWaalsContact O-CB 3.31Å; H3205-T3209 WeakPolarHBondContact O-CB 3.47Å; H3205-T3209 PolarHBondContact O-N 3.1Å; H3205-T3209 PolarHBondContact O-OG1 3.02Å
3206E46.2Very low59.2Low58.3333 Ų58.333374.4 Ų74.427%0.27336%0.362SS..Hα-helixtrans-65.1-39.2176.6-65.8165.4152.100112.2P3201 R3202 L3203 P3204 T3209 Q3210P3201-E3206 VanDerWaalsContact CA-OE2 3.26Å; P3201-E3206 WeakPolarHBondContact CA-OE2 3.46Å; R3202-E3206 PolarHBondContact N-OE2 2.7Å; L3203-E3206 HydrophobicContact CB-CG 4.23Å; L3203-E3206 PolarHBondContact N-OE1 2.65Å; L3203-E3206 PolarHBondContact N-OE2 3.1Å; L3203-E3206 WeakPolarHBondContact O-CB 3.25Å; L3203-E3206 PolarHBondContact O-N 2.69Å; L3203-E3206 VanDerWaalsContact O-N 3.09Å; P3204-E3206 PolarHBondContact O-N 3.1Å; E3206-T3209 PolarHBondContact O-N 3.26Å; E3206-Q3210 WeakPolarHBondContact O-CB 3.37Å; E3206-Q3210 VanDerWaalsContact O-CG 3.25Å; E3206-Q3210 WeakPolarHBondContact O-CG 3.36Å; E3206-Q3210 PolarHBondContact O-N 2.93Å; E3206-Q3210 VanDerWaalsContact O-N 3.07Å
3207L46.3Very low56.7Low48.3333 Ų48.333383.3 Ų83.325%0.25340%0.4SS..Hα-helixtrans-69.5-41.2174.2-75.2166.7000111.6P3201 L3203 P3204 H3205 T3209 Q3210 L3211 L3231 W3236 I3313P3201-L3207 HydrophobicContact CB-CD1 3.85Å; P3201-L3207 HydrophobicContact CB-CG 4.34Å; P3201-L3207 HydrophobicContact CG-CD1 3.85Å; P3201-L3207 HydrophobicContact CG-CD2 4.48Å; L3203-L3207 HydrophobicContact CB-CD1 4.47Å; L3203-L3207 HydrophobicContact CD1-CD1 4.35Å; L3203-L3207 HydrophobicContact CD2-CD1 4.02Å; P3204-L3207 WeakPolarHBondContact O-CB 3.03Å; P3204-L3207 PolarHBondContact O-N 3.22Å; H3205-L3207 VanDerWaalsContact C-N 3.34Å; H3205-L3207 PolarHBondContact O-N 2.88Å; L3207-T3209 VanDerWaalsContact C-N 3.34Å; L3207-T3209 PolarHBondContact O-N 3.12Å; L3207-Q3210 PolarHBondContact O-N 3.01Å; L3207-L3211 WeakPolarHBondContact O-CB 3.39Å; L3207-L3211 VanDerWaalsContact O-CG 3.31Å; L3207-L3211 WeakPolarHBondContact O-CG 3.39Å; L3207-L3211 PolarHBondContact O-N 3.14Å; L3207-L3211 VanDerWaalsContact O-N 3.11Å; L3207-L3231 HydrophobicContact CD1-CB 3.97Å; L3207-L3231 WeakPolarHBondContact CD1-O 3.48Å; L3207-W3236 HydrophobicContact CD1-CZ2 4.19Å; L3207-W3236 HydrophobicContact CD2-CZ2 4.2Å; L3207-I3313 HydrophobicContact CD1-CD1 3.34Å; L3207-I3313 HydrophobicContact CD1-CG2 4.25Å; L3207-I3313 HydrophobicContact CD2-CG2 4.06Å
3208L42Very low54.1Low92 Ų9285.5 Ų85.548%0.48242%0.422SS..Hα-helixtrans-60.2-40.7174.7-118.8107.6000111.6P3204 H3205 L3211 T3212P3204-L3208 PolarHBondContact O-N 3.07Å; P3204-L3208 VanDerWaalsContact O-N 3.08Å; H3205-L3208 PolarHBondContact O-N 2.97Å; L3208-L3211 PolarHBondContact O-N 3.26Å; L3208-T3212 WeakPolarHBondContact O-CB 3.25Å; L3208-T3212 VanDerWaalsContact O-CG2 3.27Å; L3208-T3212 WeakPolarHBondContact O-CG2 3.32Å; L3208-T3212 PolarHBondContact O-N 3.02Å; L3208-T3212 PolarHBondContact O-OG1 3.08Å
3209T44.3Very low51.5Low68.6667 Ų68.666790.9 Ų90.942%0.42146%0.46SS..Hα-helixtrans-73.2-36.7-179.7-48.50000112.2H3205 E3206 L3207 T3212 S3213H3205-T3209 PolarHBondContact CE1-OG1 3.2Å; H3205-T3209 VanDerWaalsContact CE1-OG1 3.25Å; H3205-T3209 PolarHBondContact ND1-OG1 3.39Å; H3205-T3209 VanDerWaalsContact O-CB 3.31Å; H3205-T3209 WeakPolarHBondContact O-CB 3.47Å; H3205-T3209 PolarHBondContact O-N 3.1Å; H3205-T3209 PolarHBondContact O-OG1 3.02Å; E3206-T3209 PolarHBondContact O-N 3.26Å; L3207-T3209 VanDerWaalsContact C-N 3.34Å; L3207-T3209 PolarHBondContact O-N 3.12Å; T3209-T3212 VanDerWaalsContact CA-OG1 3.29Å; T3209-T3212 WeakPolarHBondContact CA-OG1 3.46Å; T3209-T3212 PolarHBondContact O-OG1 3.16Å; T3209-S3213 VanDerWaalsContact O-CB 3.27Å; T3209-S3213 WeakPolarHBondContact O-CB 3.45Å; T3209-S3213 PolarHBondContact O-N 3.16Å; T3209-S3213 PolarHBondContact O-OG 3.37Å
3210Q44.4Very low48.9Very low111.667 Ų111.66789.5 Ų89.552%0.52247%0.472SS..Hα-helixtrans-73.2-30.2176.2-72.8-173.725.900113.4E3206 L3207 S3213 K3214E3206-Q3210 WeakPolarHBondContact O-CB 3.37Å; E3206-Q3210 VanDerWaalsContact O-CG 3.25Å; E3206-Q3210 WeakPolarHBondContact O-CG 3.36Å; E3206-Q3210 PolarHBondContact O-N 2.93Å; E3206-Q3210 VanDerWaalsContact O-N 3.07Å; L3207-Q3210 PolarHBondContact O-N 3.01Å; Q3210-S3213 WeakPolarHBondContact CA-OG 3.3Å; Q3210-S3213 PolarHBondContact O-OG 3.27Å; Q3210-K3214 WeakPolarHBondContact O-CB 3.28Å; Q3210-K3214 PolarHBondContact O-N 3Å
3211L41.1Very low46.3Very low99.6667 Ų99.666796.3 Ų96.352%0.52251%0.509SS..Hα-helixtrans-76.9-44.5174.8-71.5169.2000111.9L3207 L3208 S3213 K3214 Y3215L3207-L3211 WeakPolarHBondContact O-CB 3.39Å; L3207-L3211 VanDerWaalsContact O-CG 3.31Å; L3207-L3211 WeakPolarHBondContact O-CG 3.39Å; L3207-L3211 PolarHBondContact O-N 3.14Å; L3207-L3211 VanDerWaalsContact O-N 3.11Å; L3208-L3211 PolarHBondContact O-N 3.26Å; L3211-S3213 PolarHBondContact O-N 3.38Å; L3211-K3214 PolarHBondContact O-N 3.22Å; L3211-Y3215 HydrophobicContact CD2-CE2 4.28Å; L3211-Y3215 WeakPolarHBondContact O-CD2 3.24Å; L3211-Y3215 PolarHBondContact O-N 3.03Å
3212T42.3Very low44Very low72.3333 Ų72.3333105.6 Ų105.644%0.44454%0.544SS..Hα-helixtrans-65.5-43.9178.648.50000112.6L3208 T3209 K3214 Y3215 M3216L3208-T3212 WeakPolarHBondContact O-CB 3.25Å; L3208-T3212 VanDerWaalsContact O-CG2 3.27Å; L3208-T3212 WeakPolarHBondContact O-CG2 3.32Å; L3208-T3212 PolarHBondContact O-N 3.02Å; L3208-T3212 PolarHBondContact O-OG1 3.08Å; T3209-T3212 VanDerWaalsContact CA-OG1 3.29Å; T3209-T3212 WeakPolarHBondContact CA-OG1 3.46Å; T3209-T3212 PolarHBondContact O-OG1 3.16Å; T3212-K3214 VanDerWaalsContact C-N 3.31Å; T3212-K3214 PolarHBondContact O-N 3.26Å; T3212-K3214 VanDerWaalsContact O-N 3.07Å; T3212-Y3215 PolarHBondContact O-N 3.13Å; T3212-Y3215 VanDerWaalsContact O-N 3.17Å; T3212-M3216 HydrophobicContact CG2-CE 4.32Å; T3212-M3216 HydrophobicContact CG2-SD 4.39Å; T3212-M3216 VanDerWaalsContact O-CB 3.22Å; T3212-M3216 WeakPolarHBondContact O-CB 3.21Å; T3212-M3216 WeakPolarHBondContact O-CG 3.47Å; T3212-M3216 PolarHBondContact O-N 3.35Å; T3212-M3216 VanDerWaalsContact O-N 3.12Å
3213S43.7Very low41.8Very low77.3333 Ų77.3333115.4 Ų115.454%0.54158%0.583SS.*Hα-helixtrans-65.2-22.1178.1610000114.2T3209 Q3210 L3211 Y3215 M3216T3209-S3213 VanDerWaalsContact O-CB 3.27Å; T3209-S3213 WeakPolarHBondContact O-CB 3.45Å; T3209-S3213 PolarHBondContact O-N 3.16Å; T3209-S3213 PolarHBondContact O-OG 3.37Å; Q3210-S3213 WeakPolarHBondContact CA-OG 3.3Å; Q3210-S3213 PolarHBondContact O-OG 3.27Å; L3211-S3213 PolarHBondContact O-N 3.38Å; S3213-Y3215 PolarHBondContact O-N 2.9Å; S3213-M3216 PolarHBondContact O-N 3.14Å
3214K42.5Very low40.1Very low167.333 Ų167.333122 Ų12273%0.72861%0.612SS**Hα-helixtrans-85.2-24.7178.7-148.8173.5-171.6176.80113.3Q3210 L3211 T3212Q3210-K3214 WeakPolarHBondContact O-CB 3.28Å; Q3210-K3214 PolarHBondContact O-N 3Å; L3211-K3214 PolarHBondContact O-N 3.22Å; T3212-K3214 VanDerWaalsContact C-N 3.31Å; T3212-K3214 PolarHBondContact O-N 3.26Å; T3212-K3214 VanDerWaalsContact O-N 3.07Å
3215Y40.7Very low38.9Very low185 Ų185130.3 Ų130.373%0.72564%0.641SS**Hα-helixtrans-106.3-13.2-179.7-75.9-78.7000114.9L3211 T3212 S3213 K3217L3211-Y3215 HydrophobicContact CD2-CE2 4.28Å; L3211-Y3215 WeakPolarHBondContact O-CD2 3.24Å; L3211-Y3215 PolarHBondContact O-N 3.03Å; T3212-Y3215 PolarHBondContact O-N 3.13Å; T3212-Y3215 VanDerWaalsContact O-N 3.17Å; S3213-Y3215 PolarHBondContact O-N 2.9Å; Y3215-K3217 PolarHBondContact O-N 2.97Å
3216M38.8Very low38.5Very low163 Ų163132.1 Ų132.180%0.80365%0.65SS**THydrogen-bonded Turntrans-87.629.5177.6-77.3-160.5150.400114.8T3212 S3213 S3218T3212-M3216 HydrophobicContact CG2-CE 4.32Å; T3212-M3216 HydrophobicContact CG2-SD 4.39Å; T3212-M3216 VanDerWaalsContact O-CB 3.22Å; T3212-M3216 WeakPolarHBondContact O-CB 3.21Å; T3212-M3216 WeakPolarHBondContact O-CG 3.47Å; T3212-M3216 PolarHBondContact O-N 3.35Å; T3212-M3216 VanDerWaalsContact O-N 3.12Å; S3213-M3216 PolarHBondContact O-N 3.14Å; M3216-S3218 VanDerWaalsContact C-N 3.31Å; M3216-S3218 PolarHBondContact O-N 3.5Å
3217K38Very low38.1Very low194.333 Ų194.333138.5 Ų138.585%0.84568%0.68SS**THydrogen-bonded Turntrans-109.938.1172.6-75.9-175.8177.4173.70113.6Y3215Y3215-K3217 PolarHBondContact O-N 2.97Å
3218S34.3Very low37.9Very low100 Ų100139.7 Ų139.770%0.69969%0.692SS**SBendtrans-166119.8157.654.20000113.3M3216M3216-S3218 VanDerWaalsContact C-N 3.31Å; M3216-S3218 PolarHBondContact O-N 3.5Å
3219S35.6Very low38.1Very low116 Ų116139.4 Ų139.481%0.81169%0.691SS**  trans95.8104.1162.8-70.40000115.9N3221S3219-N3221 VanDerWaalsContact C-N 3.28Å; S3219-N3221 PolarHBondContact O-N 3.33Å
3220S34.8Very low38.8Very low115.667 Ų115.667141.6 Ų141.681%0.80970%0.701SS**SBendtrans-74.575.9167.7-144.50000111.1
3221N33.8Very low40Very low143.333 Ų143.333138.3 Ų138.377%0.76669%0.686SS**  trans-170.867.1170.3-83.8-18.5000112.4S3219S3219-N3221 VanDerWaalsContact C-N 3.28Å; S3219-N3221 PolarHBondContact O-N 3.33Å
3222Y35Very low41.8Very low204.333 Ų204.333135.3 Ų135.380%0.80167%0.672SS**  trans-146.574.6166.9-115.8-85.2000112.4H3224 Y3225Y3222-H3224 VanDerWaalsContact C-N 3.27Å; Y3222-H3224 PolarHBondContact O-N 2.84Å; Y3222-Y3225 HydrophobicContact CE1-CD2 4.36Å
3223Y29.6Very low43.9Very low224 Ų224132.3 Ų132.388%0.87865%0.653SS**  trans-96.570.7170.6-79.2-79.2000110.4
3224H30.4Very low46.1Very low174.333 Ų174.333129.5 Ų129.581%0.80763%0.63SS**  trans-168.355.5165.9-114.17.7000113.3Y3222Y3222-H3224 VanDerWaalsContact C-N 3.27Å; Y3222-H3224 PolarHBondContact O-N 2.84Å
3225Y29.9Very low48.3Very low198.333 Ų198.333125.2 Ų125.278%0.77861%0.613SS**  trans-157.597.8160.5-104.3-88.7000107.5Y3222Y3222-Y3225 HydrophobicContact CE1-CD2 4.36Å
3226H35.6Very low50.6Low160.667 Ų160.667118.4 Ų118.474%0.74459%0.586SS**  trans-146.756.3-179.9-113.5-60.7000111.3D3229H3226-D3229 IonicContact CE1-OD1 3.94Å; H3226-D3229 IonicContact CE1-OD2 3.77Å; H3226-D3229 IonicContact CG-OD2 3.59Å; H3226-D3229 IonicContact ND1-OD1 3.23Å; H3226-D3229 IonicContact ND1-OD2 3.24Å; H3226-D3229 PolarHBondContact ND1-OD2 3.13Å
3227Q35.9Very low53.1Low193 Ų193110.6 Ų110.690%0.90255%0.547SS*.  trans-140.314.2173.2-159.3160.3-2.600111.8D3229Q3227-D3229 VanDerWaalsContact C-N 3.26Å
3228S42.5Very low55.7Low73 Ų73101.6 Ų101.651%0.5151%0.509SS..  trans-99.614.7-179.846.70000112.9N3230 L3231S3228-N3230 PolarHBondContact O-N 3.2Å; S3228-L3231 WeakPolarHBondContact O-CD1 3.45Å
3229D47.8Very low58.4Low86 Ų8698.5 Ų98.546%0.4648%0.482SS..THydrogen-bonded Turntrans-90.725.3-158-63.8-20.6000113.4H3226 Q3227H3226-D3229 IonicContact CE1-OD1 3.94Å; H3226-D3229 IonicContact CE1-OD2 3.77Å; H3226-D3229 IonicContact CG-OD2 3.59Å; H3226-D3229 IonicContact ND1-OD1 3.23Å; H3226-D3229 IonicContact ND1-OD2 3.24Å; H3226-D3229 PolarHBondContact ND1-OD2 3.13Å; Q3227-D3229 VanDerWaalsContact C-N 3.26Å
3230N58Low61.1Low115 Ų11593 Ų9362%0.61544%0.443SS*.THydrogen-bonded Turntrans-133.329.7178.8-71.5-15.1000116.2S3228 T3232 Q3315S3228-N3230 PolarHBondContact O-N 3.2Å; N3230-T3232 PolarHBondContact O-N 3.29Å; N3230-T3232 VanDerWaalsContact O-N 3.13Å; N3230-Q3315 PolarHBondContact OD1-NE2 3.11Å; N3230-Q3315 PolarHBondContact OD1-OE1 2.95Å
3231L69.2Low63.9Low42 Ų4287.5 Ų87.522%0.2241%0.405CS..  trans-67.7116.5167.2-93.272.5000110.7P2650 P3204 L3207 S3228 W3236P2650-L3231 HydrophobicContact CB-CD2 3.94Å; P2650-L3231 HydrophobicContact CB-CG 4.1Å; P2650-L3231 HydrophobicContact CG-CD2 4.19Å; P3204-L3231 WeakPolarHBondContact CB-O 3.46Å; P3204-L3231 WeakPolarHBondContact CG-O 3.31Å; L3207-L3231 HydrophobicContact CD1-CB 3.97Å; L3207-L3231 WeakPolarHBondContact CD1-O 3.48Å; S3228-L3231 WeakPolarHBondContact O-CD1 3.45Å; L3231-W3236 HydrophobicContact CD2-CZ2 4.47Å
3232T79.2Confident66.7Low36 Ų3683 Ų8322%0.22138%0.379CS..  trans-97.7167.9176.466.30000112.2N3230 W3234 H3235 W3236N3230-T3232 PolarHBondContact O-N 3.29Å; N3230-T3232 VanDerWaalsContact O-N 3.13Å; T3232-W3234 VanDerWaalsContact C-N 3.27Å; T3232-W3234 PolarHBondContact O-N 2.96Å; T3232-H3235 PolarHBondContact N-ND1 3.04Å; T3232-H3235 WeakPolarHBondContact O-CB 3.42Å; T3232-H3235 PolarHBondContact O-N 3.11Å; T3232-H3235 VanDerWaalsContact O-N 3.13Å; T3232-H3235 PolarHBondContact OG1-CD2 2.98Å; T3232-H3235 PolarHBondContact OG1-CE1 2.93Å; T3232-H3235 PolarHBondContact OG1-N 3.1Å; T3232-H3235 PolarHBondContact OG1-ND1 3.13Å; T3232-W3236 PolarHBondContact O-N 2.95Å
3233F87Confident69.4Low9.66667 Ų9.6666774.3 Ų74.34%0.04235%0.346CS..Hα-helixtrans-53.9-40.7172.6170.1-98.2000112.2I3200 H3235 W3236 A3237 F3255 F3269 L3272 L3273 E3276I3200-F3233 HydrophobicContact CD1-CE2 3.94Å; I3200-F3233 HydrophobicContact CG2-CD2 4.14Å; I3200-F3233 HydrophobicContact CG2-CE2 3.93Å; F3233-H3235 VanDerWaalsContact C-N 3.3Å; F3233-H3235 PolarHBondContact O-N 3.07Å; F3233-W3236 PolarHBondContact O-N 3.11Å; F3233-W3236 VanDerWaalsContact O-N 3.1Å; F3233-A3237 HydrophobicContact CD1-CB 4.4Å; F3233-A3237 HydrophobicContact CE1-CB 3.92Å; F3233-A3237 HydrophobicContact CE2-CB 4.4Å; F3233-A3237 HydrophobicContact CZ-CB 3.95Å; F3233-A3237 WeakPolarHBondContact O-CB 3.31Å; F3233-A3237 PolarHBondContact O-N 3.07Å; F3233-F3255 HydrophobicContact CE2-CE1 4.31Å; F3233-F3269 AromaticContact CE2-CD2 3.83Å; F3233-F3269 HydrophobicContact CE2-CD2 3.83Å; F3233-F3269 HydrophobicContact CE2-CE2 4.1Å; F3233-F3269 AromaticContact CZ-CD2 3.61Å; F3233-F3269 HydrophobicContact CZ-CD2 3.61Å; F3233-F3269 AromaticContact CZ-CE2 3.8Å; F3233-F3269 HydrophobicContact CZ-CE2 3.8Å; F3233-L3272 HydrophobicContact CD1-CB 4.3Å; F3233-L3272 HydrophobicContact CD2-CD1 4.48Å; F3233-L3272 HydrophobicContact CE1-CB 3.54Å; F3233-L3272 VanDerWaalsContact CE1-CB 3.5Å; F3233-L3272 HydrophobicContact CE2-CB 4.24Å; F3233-L3272 HydrophobicContact CE2-CD1 4.18Å; F3233-L3272 HydrophobicContact CZ-CB 3.56Å; F3233-L3272 VanDerWaalsContact CZ-CB 3.49Å; F3233-L3272 HydrophobicContact CZ-CD1 4.21Å; F3233-L3272 HydrophobicContact CZ-CG 4.48Å; F3233-L3273 HydrophobicContact CE1-CB 4.37Å; F3233-E3276 HydrophobicContact CD1-CG 3.75Å; F3233-E3276 HydrophobicContact CE1-CG 4.2Å
3234W89Confident72.3Confident18.6667 Ų18.666763.7 Ų63.77%0.07130%0.304CS..Hα-helixtrans-51.6-46176.1170.3-106.2000112.8T3232 W3236 A3237 S3238 L3273 E3276 L3277 Y3363 R3364 I3367T3232-W3234 VanDerWaalsContact C-N 3.27Å; T3232-W3234 PolarHBondContact O-N 2.96Å; W3234-W3236 VanDerWaalsContact C-N 3.33Å; W3234-W3236 PolarHBondContact O-N 3.21Å; W3234-A3237 PolarHBondContact O-N 3.22Å; W3234-S3238 WeakPolarHBondContact O-CB 3.19Å; W3234-S3238 PolarHBondContact O-N 3.18Å; W3234-S3238 PolarHBondContact O-OG 2.92Å; W3234-L3273 HydrophobicContact CE3-CD1 3.97Å; W3234-L3273 HydrophobicContact CZ3-CD1 3.69Å; W3234-E3276 HydrophobicContact CB-CB 4.48Å; W3234-E3276 HydrophobicContact CB-CG 4.26Å; W3234-E3276 HydrophobicContact CE3-CB 3.84Å; W3234-E3276 HydrophobicContact CZ3-CB 4.44Å; W3234-L3277 HydrophobicContact CH2-CD2 3.7Å; W3234-L3277 HydrophobicContact CH2-CG 4.46Å; W3234-L3277 HydrophobicContact CZ3-CD2 3.6Å; W3234-L3277 HydrophobicContact CZ3-CG 3.97Å; W3234-Y3363 HydrophobicContact CZ2-CD1 4.26Å; W3234-Y3363 AromaticContact CZ2-CE1 3.94Å; W3234-Y3363 HydrophobicContact CZ2-CE1 4.2Å; W3234-R3364 HydrophobicContact CH2-CB 4.21Å; W3234-R3364 HydrophobicContact CH2-CG 3.73Å; W3234-R3364 HydrophobicContact CZ2-CB 4.27Å; W3234-R3364 HydrophobicContact CZ2-CG 3.44Å; W3234-R3364 VanDerWaalsContact CZ2-CG 3.47Å; W3234-I3367 HydrophobicContact CH2-CB 3.96Å; W3234-I3367 HydrophobicContact CH2-CG1 4.36Å; W3234-I3367 HydrophobicContact CH2-CG2 3.78Å; W3234-I3367 HydrophobicContact CZ2-CG1 4.44Å; W3234-I3367 HydrophobicContact CZ3-CG2 4.17Å
3235H88.2Confident75.1Confident77.6667 Ų77.666756.3 Ų56.336%0.3627%0.273SS..Hα-helixtrans-64.3-35.8-178.5-63.654.6000112.6P2650 T3232 F3233 S3238 R3239P2650-H3235 HydrophobicContact CB-CB 3.97Å; P2650-H3235 WeakPolarHBondContact CB-O 3.37Å; P2650-H3235 HydrophobicContact CG-CB 4.27Å; P2650-H3235 WeakPolarHBondContact CG-O 3.44Å; T3232-H3235 PolarHBondContact N-ND1 3.04Å; T3232-H3235 WeakPolarHBondContact O-CB 3.42Å; T3232-H3235 PolarHBondContact O-N 3.11Å; T3232-H3235 VanDerWaalsContact O-N 3.13Å; T3232-H3235 PolarHBondContact OG1-CD2 2.98Å; T3232-H3235 PolarHBondContact OG1-CE1 2.93Å; T3232-H3235 PolarHBondContact OG1-N 3.1Å; T3232-H3235 PolarHBondContact OG1-ND1 3.13Å; F3233-H3235 VanDerWaalsContact C-N 3.3Å; F3233-H3235 PolarHBondContact O-N 3.07Å; H3235-S3238 PolarHBondContact O-OG 3.1Å; H3235-R3239 VanDerWaalsContact O-CB 3.27Å; H3235-R3239 WeakPolarHBondContact O-CB 3.34Å; H3235-R3239 PolarHBondContact O-N 2.99Å
3236W89.8Confident77.8Confident41.3333 Ų41.333351.1 Ų51.116%0.15727%0.266CS..Hα-helixtrans-73.7-41.1174.1-7687.8000112L2646 P2649 P2650 I3200 P3201 L3207 L3231 T3232 F3233 W3234 L3240L2646-W3236 HydrophobicContact CD1-CE3 3.68Å; L2646-W3236 HydrophobicContact CD1-CZ3 3.84Å; P2649-W3236 HydrophobicContact CB-CH2 3.72Å; P2649-W3236 HydrophobicContact CB-CZ2 4.44Å; P2649-W3236 HydrophobicContact CB-CZ3 3.92Å; P2650-W3236 HydrophobicContact CG-CD2 4.13Å; P2650-W3236 HydrophobicContact CG-CE3 4.45Å; P2650-W3236 HydrophobicContact CG-CG 4.11Å; I3200-W3236 HydrophobicContact CG1-CE3 4.37Å; I3200-W3236 HydrophobicContact CG2-CB 4.26Å; P3201-W3236 HydrophobicContact CG-CB 4.45Å; P3201-W3236 VanDerWaalsContact CG-CD1 3.44Å; P3201-W3236 HydrophobicContact CG-CD2 3.85Å; P3201-W3236 HydrophobicContact CG-CG 3.76Å; P3201-W3236 HydrophobicContact CG-CZ2 4.35Å; L3207-W3236 HydrophobicContact CD1-CZ2 4.19Å; L3207-W3236 HydrophobicContact CD2-CZ2 4.2Å; L3231-W3236 HydrophobicContact CD2-CZ2 4.47Å; T3232-W3236 PolarHBondContact O-N 2.95Å; F3233-W3236 PolarHBondContact O-N 3.11Å; F3233-W3236 VanDerWaalsContact O-N 3.1Å; W3234-W3236 VanDerWaalsContact C-N 3.33Å; W3234-W3236 PolarHBondContact O-N 3.21Å; W3236-L3240 VanDerWaalsContact O-CB 3.29Å; W3236-L3240 WeakPolarHBondContact O-CB 3.35Å; W3236-L3240 PolarHBondContact O-N 3.17Å; W3236-L3240 VanDerWaalsContact O-N 3.08Å
3237A92Very high80.1Confident0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-68.7-46-177.800000112.4F3233 W3234 R3239 L3240 M3241 F3269 L3273F3233-A3237 HydrophobicContact CD1-CB 4.4Å; F3233-A3237 HydrophobicContact CE1-CB 3.92Å; F3233-A3237 HydrophobicContact CE2-CB 4.4Å; F3233-A3237 HydrophobicContact CZ-CB 3.95Å; F3233-A3237 WeakPolarHBondContact O-CB 3.31Å; F3233-A3237 PolarHBondContact O-N 3.07Å; W3234-A3237 PolarHBondContact O-N 3.22Å; A3237-R3239 VanDerWaalsContact C-N 3.33Å; A3237-R3239 PolarHBondContact O-N 3.18Å; A3237-L3240 PolarHBondContact O-N 3.15Å; A3237-M3241 WeakPolarHBondContact O-CG 3.42Å; A3237-M3241 PolarHBondContact O-N 3.01Å; A3237-F3269 HydrophobicContact CB-CE2 3.7Å; A3237-F3269 HydrophobicContact CB-CZ 3.99Å; A3237-L3273 HydrophobicContact CB-CD1 3.97Å; A3237-L3273 HydrophobicContact CB-CD2 4.47Å
3238S91.8Very high82.4Confident4.33333 Ų4.3333340.9 Ų40.93%0.0321%0.214CC..Hα-helixtrans-60.6-47.6177.466.80000111.3W3234 H3235 L3240 M3241 E3242 Y3363 I3367W3234-S3238 WeakPolarHBondContact O-CB 3.19Å; W3234-S3238 PolarHBondContact O-N 3.18Å; W3234-S3238 PolarHBondContact O-OG 2.92Å; H3235-S3238 PolarHBondContact O-OG 3.1Å; S3238-L3240 VanDerWaalsContact C-N 3.31Å; S3238-L3240 PolarHBondContact O-N 3.03Å; S3238-M3241 PolarHBondContact O-N 3.03Å; S3238-M3241 VanDerWaalsContact O-N 3.13Å; S3238-E3242 WeakPolarHBondContact O-CB 3.27Å; S3238-E3242 PolarHBondContact O-N 3.15Å; S3238-Y3363 VanDerWaalsContact CB-OH 3.31Å; S3238-Y3363 WeakPolarHBondContact CB-OH 3.1Å; S3238-Y3363 PolarHBondContact OG-OH 3.13Å; S3238-I3367 WeakPolarHBondContact O-CD1 3.34Å
3239R90.7Very high84.5Confident36 Ų3637.7 Ų37.714%0.13619%0.192CC..Hα-helixtrans-61.8-38.9178.8-171.269.5-150.5144.911.2112.7R2648 P2650 H3235 A3237 E3242 E3243R2648-R3239 WeakPolarHBondContact O-CD 3.46Å; R2648-R3239 WeakPolarHBondContact O-CG 3.44Å; R2648-R3239 PolarHBondContact O-NE 3.05Å; R2648-R3239 VanDerWaalsContact O-NE 3.1Å; P2650-R3239 HydrophobicContact CG-CB 4.2Å; P2650-R3239 HydrophobicContact CG-CG 4.24Å; H3235-R3239 VanDerWaalsContact O-CB 3.27Å; H3235-R3239 WeakPolarHBondContact O-CB 3.34Å; H3235-R3239 PolarHBondContact O-N 2.99Å; A3237-R3239 VanDerWaalsContact C-N 3.33Å; A3237-R3239 PolarHBondContact O-N 3.18Å; R3239-E3242 IonicContact CZ-OE1 2.71Å; R3239-E3242 IonicContact CZ-OE2 2.87Å; R3239-E3242 IonicContact NE-OE2 3.05Å; R3239-E3242 IonicContact NH1-OE1 3.2Å; R3239-E3242 PolarHBondContact NH1-OE1 3.15Å; R3239-E3242 IonicContact NH1-OE2 3.5Å; R3239-E3242 PolarHBondContact NH1-OE2 3.16Å; R3239-E3242 VanDerWaalsContact NH1-OE2 3.12Å; R3239-E3242 IonicContact NH2-OE1 3.31Å; R3239-E3242 PolarHBondContact O-N 3.01Å; R3239-E3243 IonicContact CZ-OE1 3.41Å; R3239-E3243 IonicContact NE-OE1 3.28Å; R3239-E3243 PolarHBondContact NE-OE1 3.05Å; R3239-E3243 VanDerWaalsContact NH2-CG 3.32Å; R3239-E3243 IonicContact NH2-OE1 3.48Å; R3239-E3243 PolarHBondContact NH2-OE1 3.18Å; R3239-E3243 PolarHBondContact O-N 3.4Å; R3239-E3243 VanDerWaalsContact O-N 3.17Å
3240L93.5Very high86.5Confident0 Ų035.1 Ų35.10%018%0.177CC..Hα-helixtrans-64.6-47.7173.1171.456.9000112.1L2646 V3198 I3200 W3236 A3237 S3238 E3242 E3243 H3244 L3251 I3253 F3269L2646-L3240 HydrophobicContact CD2-CB 4.02Å; L2646-L3240 HydrophobicContact CD2-CD1 4.02Å; V3198-L3240 HydrophobicContact CB-CD1 4.31Å; V3198-L3240 HydrophobicContact CB-CD2 4.3Å; V3198-L3240 HydrophobicContact CG1-CD1 4.06Å; V3198-L3240 HydrophobicContact CG1-CD2 4.13Å; V3198-L3240 HydrophobicContact CG2-CD1 3.81Å; V3198-L3240 HydrophobicContact CG2-CD2 4.4Å; I3200-L3240 HydrophobicContact CD1-CB 4Å; I3200-L3240 HydrophobicContact CD1-CD2 3.44Å; I3200-L3240 VanDerWaalsContact CD1-CD2 3.44Å; I3200-L3240 HydrophobicContact CD1-CG 4.34Å; I3200-L3240 HydrophobicContact CG2-CD2 3.98Å; W3236-L3240 VanDerWaalsContact O-CB 3.29Å; W3236-L3240 WeakPolarHBondContact O-CB 3.35Å; W3236-L3240 PolarHBondContact O-N 3.17Å; W3236-L3240 VanDerWaalsContact O-N 3.08Å; A3237-L3240 PolarHBondContact O-N 3.15Å; S3238-L3240 VanDerWaalsContact C-N 3.31Å; S3238-L3240 PolarHBondContact O-N 3.03Å; L3240-E3242 VanDerWaalsContact C-N 3.3Å; L3240-E3242 PolarHBondContact O-N 3.36Å; L3240-E3243 PolarHBondContact O-N 3.21Å; L3240-H3244 HydrophobicContact CD1-CB 4.33Å; L3240-H3244 VanDerWaalsContact O-CB 3.25Å; L3240-H3244 WeakPolarHBondContact O-CB 3.41Å; L3240-H3244 PolarHBondContact O-N 2.97Å; L3240-L3251 HydrophobicContact CD1-CD1 4.16Å; L3240-L3251 HydrophobicContact CD2-CD1 4.29Å; L3240-L3251 HydrophobicContact CD2-CD2 4.17Å; L3240-L3251 HydrophobicContact CG-CD2 4.35Å; L3240-I3253 HydrophobicContact CD2-CD1 3.66Å; L3240-F3269 HydrophobicContact CD2-CE2 4.33Å; L3240-F3269 HydrophobicContact CD2-CZ 4.06Å
3241M94.2Very high88.1Confident0.333333 Ų0.33333329.7 Ų29.70%0.00215%0.148CC..Hα-helixtrans-59.7-43.6179.1-68.7-57.474.800111.2A3237 S3238 H3244 A3245 L3251 F3269 Y3270 L3273 I3367 I3370 T3371 K3374A3237-M3241 WeakPolarHBondContact O-CG 3.42Å; A3237-M3241 PolarHBondContact O-N 3.01Å; S3238-M3241 PolarHBondContact O-N 3.03Å; S3238-M3241 VanDerWaalsContact O-N 3.13Å; M3241-H3244 PolarHBondContact O-N 3.09Å; M3241-A3245 WeakPolarHBondContact O-CB 3.36Å; M3241-A3245 PolarHBondContact O-N 3.28Å; M3241-L3251 HydrophobicContact CE-CD2 3.48Å; M3241-L3251 HydrophobicContact SD-CD2 4.39Å; M3241-F3269 HydrophobicContact CE-CE1 3.6Å; M3241-F3269 VanDerWaalsContact CE-CE1 3.45Å; M3241-F3269 HydrophobicContact CE-CZ 3.85Å; M3241-F3269 HydrophobicContact CG-CZ 4.41Å; M3241-F3269 HydrophobicContact SD-CE1 3.96Å; M3241-F3269 HydrophobicContact SD-CZ 3.95Å; M3241-Y3270 HydrophobicContact CE-CE1 4.14Å; M3241-Y3270 HydrophobicContact SD-CE1 4.29Å; M3241-L3273 HydrophobicContact CG-CD2 3.87Å; M3241-L3273 HydrophobicContact SD-CD2 4.32Å; M3241-I3367 HydrophobicContact CB-CG2 4.37Å; M3241-I3367 HydrophobicContact CG-CG2 4.49Å; M3241-I3370 HydrophobicContact CB-CG2 3.97Å; M3241-I3370 HydrophobicContact CE-CG2 4.06Å; M3241-I3370 WeakPolarHBondContact O-CG2 3.15Å; M3241-T3371 HydrophobicContact CE-CG2 4.5Å; M3241-T3371 HydrophobicContact SD-CG2 4.26Å; M3241-K3374 HydrophobicContact CE-CB 3.74Å; M3241-K3374 HydrophobicContact CE-CG 3.72Å
3242E92.3Very high89.1Confident48.3333 Ų48.333328.8 Ų28.823%0.22614%0.142CC..Hα-helixtrans-57.9-52.7176.4-138.2-173.8155.800113.1S3238 R3239 L3240 H3244 A3245 Y3363 F3366 I3367 R3670S3238-E3242 WeakPolarHBondContact O-CB 3.27Å; S3238-E3242 PolarHBondContact O-N 3.15Å; R3239-E3242 IonicContact CZ-OE1 2.71Å; R3239-E3242 IonicContact CZ-OE2 2.87Å; R3239-E3242 IonicContact NE-OE2 3.05Å; R3239-E3242 IonicContact NH1-OE1 3.2Å; R3239-E3242 PolarHBondContact NH1-OE1 3.15Å; R3239-E3242 IonicContact NH1-OE2 3.5Å; R3239-E3242 PolarHBondContact NH1-OE2 3.16Å; R3239-E3242 VanDerWaalsContact NH1-OE2 3.12Å; R3239-E3242 IonicContact NH2-OE1 3.31Å; R3239-E3242 PolarHBondContact O-N 3.01Å; L3240-E3242 VanDerWaalsContact C-N 3.3Å; L3240-E3242 PolarHBondContact O-N 3.36Å; E3242-H3244 PolarHBondContact O-N 3.45Å; E3242-A3245 WeakPolarHBondContact O-CB 3.35Å; E3242-A3245 PolarHBondContact O-N 3.43Å; E3242-A3245 VanDerWaalsContact O-N 3.15Å; E3242-Y3363 WeakPolarHBondContact OE1-CE2 3.11Å; E3242-Y3363 VanDerWaalsContact OE1-CZ 3.28Å; E3242-Y3363 PolarHBondContact OE1-OH 2.95Å; E3242-Y3363 PolarHBondContact OE2-OH 3.05Å; E3242-F3366 HydrophobicContact CG-CE1 4.32Å; E3242-I3367 HydrophobicContact CB-CD1 4.25Å; E3242-I3367 HydrophobicContact CG-CD1 3.8Å; E3242-R3670 IonicContact OE1-NH1 3.1Å
3243E90.4Very high89.7Confident22 Ų2227.1 Ų27.110%0.10313%0.132CC..Hα-helixtrans-69.9-29.8-178.7-70.6-166.6-178.200113.3Y2644 L2646 C2647 R2648 R3239 L3240Y2644-E3243 HydrophobicContact CE1-CB 4.41Å; Y2644-E3243 PolarHBondContact OH-OE2 3.08Å; L2646-E3243 WeakPolarHBondContact CA-OE2 3.41Å; L2646-E3243 HydrophobicContact CD2-CB 4.45Å; C2647-E3243 PolarHBondContact N-OE1 3.1Å; C2647-E3243 PolarHBondContact N-OE2 3.33Å; R2648-E3243 PolarHBondContact N-OE1 3.07Å; R3239-E3243 IonicContact CZ-OE1 3.41Å; R3239-E3243 IonicContact NE-OE1 3.28Å; R3239-E3243 PolarHBondContact NE-OE1 3.05Å; R3239-E3243 VanDerWaalsContact NH2-CG 3.32Å; R3239-E3243 IonicContact NH2-OE1 3.48Å; R3239-E3243 PolarHBondContact NH2-OE1 3.18Å; R3239-E3243 PolarHBondContact O-N 3.4Å; R3239-E3243 VanDerWaalsContact O-N 3.17Å; L3240-E3243 PolarHBondContact O-N 3.21Å
3244H91.2Very high89.9Confident0.666667 Ų0.66666728.5 Ų28.50%0.00314%0.139CC..Hα-helixtrans-83.6-16.8178.7-154.8-85.5000112.8E3196 L3240 M3241 E3242 S3246 R3247 S3249 K3374E3196-H3244 IonicContact OE2-CD2 3.03Å; E3196-H3244 PolarHBondContact OE2-CD2 3.21Å; E3196-H3244 IonicContact OE2-CE1 2.79Å; E3196-H3244 IonicContact OE2-NE2 3.22Å; E3196-H3244 PolarHBondContact OE2-NE2 2.96Å; L3240-H3244 HydrophobicContact CD1-CB 4.33Å; L3240-H3244 VanDerWaalsContact O-CB 3.25Å; L3240-H3244 WeakPolarHBondContact O-CB 3.41Å; L3240-H3244 PolarHBondContact O-N 2.97Å; M3241-H3244 PolarHBondContact O-N 3.09Å; E3242-H3244 PolarHBondContact O-N 3.45Å; H3244-S3246 VanDerWaalsContact C-N 3.3Å; H3244-S3246 PolarHBondContact O-N 3.15Å; H3244-S3246 VanDerWaalsContact O-N 3.15Å; H3244-R3247 VanDerWaalsContact O-CB 3.31Å; H3244-R3247 WeakPolarHBondContact O-CB 3.34Å; H3244-R3247 PolarHBondContact O-N 3.11Å; H3244-S3249 PolarHBondContact CE1-O 3.16Å; H3244-S3249 PolarHBondContact NE2-OG 3.23Å; H3244-K3374 PolarHBondContact CE1-NZ 2.83Å; H3244-K3374 VanDerWaalsContact CE1-NZ 3.35Å; H3244-K3374 WeakPolarHBondContact ND1-CE 3.49Å; H3244-K3374 PolarHBondContact ND1-NZ 3.14Å; H3244-K3374 VanDerWaalsContact O-CE 3.25Å; H3244-K3374 WeakPolarHBondContact O-CE 3.25Å; H3244-K3374 PolarHBondContact O-NZ 2.88Å
3245A89.8Confident89.8Confident18.6667 Ų18.666727.7 Ų27.715%0.15414%0.136CC..THydrogen-bonded Turntrans-49.4-48.3-171.800000113.9M3241 E3242 R3247 I3370 K3374 R3670 V3671M3241-A3245 WeakPolarHBondContact O-CB 3.36Å; M3241-A3245 PolarHBondContact O-N 3.28Å; E3242-A3245 WeakPolarHBondContact O-CB 3.35Å; E3242-A3245 PolarHBondContact O-N 3.43Å; E3242-A3245 VanDerWaalsContact O-N 3.15Å; A3245-R3247 VanDerWaalsContact C-N 3.3Å; A3245-R3247 PolarHBondContact O-N 3Å; A3245-I3370 HydrophobicContact CB-CD1 4.16Å; A3245-I3370 HydrophobicContact CB-CG1 4.29Å; A3245-I3370 HydrophobicContact CB-CG2 3.8Å; A3245-K3374 VanDerWaalsContact O-CE 3.27Å; A3245-K3374 WeakPolarHBondContact O-CE 3.35Å; A3245-K3374 PolarHBondContact O-NZ 3.13Å; A3245-R3670 HydrophobicContact CB-CB 3.83Å; A3245-V3671 HydrophobicContact CB-CG2 4.18Å
3246S85.7Confident89.7Confident90 Ų9026.5 Ų26.563%0.62913%0.132SC*.THydrogen-bonded Turntrans-76.5-11.9-178.960.40000114.4H3244H3244-S3246 VanDerWaalsContact C-N 3.3Å; H3244-S3246 PolarHBondContact O-N 3.15Å; H3244-S3246 VanDerWaalsContact O-N 3.15Å
3247R84.9Confident89.2Confident82 Ų8227.9 Ų27.931%0.30916%0.158SC..  trans-84.3131.8-173.8-60.3-174.8172.3-101.5-13.7112.1Y2644 E3196 H3244 A3245 S3249 K3374 Q3377Y2644-R3247 VanDerWaalsContact CE2-NH2 3.29Å; E3196-R3247 IonicContact OE1-CZ 3.83Å; E3196-R3247 IonicContact OE1-NE 3.68Å; E3196-R3247 IonicContact OE1-NH1 2.94Å; E3196-R3247 PolarHBondContact OE1-NH1 2.8Å; E3196-R3247 VanDerWaalsContact OE2-CD 3.28Å; E3196-R3247 WeakPolarHBondContact OE2-CD 3.25Å; E3196-R3247 IonicContact OE2-CZ 2.82Å; E3196-R3247 IonicContact OE2-NE 3.39Å; E3196-R3247 IonicContact OE2-NH1 3.58Å; E3196-R3247 PolarHBondContact OE2-NH1 2.95Å; H3244-R3247 VanDerWaalsContact O-CB 3.31Å; H3244-R3247 WeakPolarHBondContact O-CB 3.34Å; H3244-R3247 PolarHBondContact O-N 3.11Å; A3245-R3247 VanDerWaalsContact C-N 3.3Å; A3245-R3247 PolarHBondContact O-N 3Å; R3247-S3249 VanDerWaalsContact C-N 3.3Å; R3247-S3249 WeakPolarHBondContact CB-OG 3.41Å; R3247-S3249 PolarHBondContact O-N 3.35Å; R3247-K3374 PolarHBondContact O-NZ 3.27Å; R3247-Q3377 PolarHBondContact O-NE2 2.83Å
3248K84.5Confident88.8Confident57.6667 Ų57.666730.1 Ų30.125%0.25117%0.169SC..  trans-88.8-9.3178.8-60.9-86.7-178.1178.70114.4N2689 R2958 V3671N2689-K3248 PolarHBondContact OD1-NZ 3.38Å; R2958-K3248 VanDerWaalsContact CZ-O 3.28Å; R2958-K3248 PolarHBondContact NE-O 3.08Å; R2958-K3248 PolarHBondContact NH2-O 3.31Å; K3248-V3671 PolarHBondContact NZ-O 3.36Å
3249S86.5Confident88Confident5 Ų539.1 Ų39.14%0.03521%0.21CC..SBendtrans-57.1156.4167.236.10000112.4R2958 H3194 E3196 H3244 R3247 K3374R2958-S3249 PolarHBondContact NH2-O 3.05Å; H3194-S3249 CarbonylContact O-C 3.45Å; H3194-S3249 VanDerWaalsContact O-CA 3.25Å; H3194-S3249 WeakPolarHBondContact O-CA 3.31Å; H3194-S3249 WeakPolarHBondContact O-CB 3.23Å; E3196-S3249 VanDerWaalsContact CD-OG 3.25Å; E3196-S3249 WeakPolarHBondContact OE1-CB 3.49Å; E3196-S3249 PolarHBondContact OE1-OG 3.31Å; E3196-S3249 VanDerWaalsContact OE2-CB 3.29Å; E3196-S3249 WeakPolarHBondContact OE2-CB 3.43Å; E3196-S3249 PolarHBondContact OE2-OG 3.22Å; H3244-S3249 PolarHBondContact CE1-O 3.16Å; H3244-S3249 PolarHBondContact NE2-OG 3.23Å; R3247-S3249 VanDerWaalsContact C-N 3.3Å; R3247-S3249 WeakPolarHBondContact CB-OG 3.41Å; R3247-S3249 PolarHBondContact O-N 3.35Å; S3249-K3374 PolarHBondContact O-NZ 3.28Å
3250E88.9Confident87.3Confident32.3333 Ų32.333338.6 Ų38.615%0.15122%0.217CC..EExtended strand (participates in β ladder)trans-84.4130.4171.9-173.4-169.6164.300109.6L3193 H3194 K3195 E3196 D3378 R3380L3193-E3250 HydrophobicContact CD2-CB 3.92Å; L3193-E3250 HydrophobicContact CG-CB 4.35Å; H3194-E3250 PolarHBondContact O-N 3.19Å; K3195-E3250 CarbonylContact C-O 3.55Å; K3195-E3250 VanDerWaalsContact CA-O 3.3Å; K3195-E3250 WeakPolarHBondContact CA-O 3.36Å; K3195-E3250 VanDerWaalsContact CE-OE2 3.25Å; K3195-E3250 WeakPolarHBondContact CE-OE2 3.3Å; K3195-E3250 HydrophobicContact CG-CB 4.18Å; K3195-E3250 IonicContact NZ-OE1 3.04Å; K3195-E3250 PolarHBondContact NZ-OE1 3.22Å; K3195-E3250 IonicContact NZ-OE2 3.08Å; K3195-E3250 PolarHBondContact NZ-OE2 3.04Å; E3196-E3250 PolarHBondContact N-O 3.23Å; E3250-D3378 WeakPolarHBondContact CA-OD1 3.37Å; E3250-D3378 HydrophobicContact CG-CB 4.42Å; E3250-R3380 VanDerWaalsContact CG-NH2 3.26Å; E3250-R3380 IonicContact OE1-CZ 3.54Å; E3250-R3380 IonicContact OE1-NH2 3.32Å; E3250-R3380 PolarHBondContact OE1-NH2 3.13Å
3251L91.2Very high86.6Confident0 Ų042.4 Ų42.40%024%0.24CC..EExtended strand (participates in β ladder)trans-80.7133.4178.517761000110.7E3196 V3198 L3240 M3241 I3253 D3378 R3380E3196-L3251 CarbonylContact O-C 3.48Å; V3198-L3251 HydrophobicContact CB-CD1 4.31Å; V3198-L3251 HydrophobicContact CG2-CD1 3.6Å; L3240-L3251 HydrophobicContact CD1-CD1 4.16Å; L3240-L3251 HydrophobicContact CD2-CD1 4.29Å; L3240-L3251 HydrophobicContact CD2-CD2 4.17Å; L3240-L3251 HydrophobicContact CG-CD2 4.35Å; M3241-L3251 HydrophobicContact CE-CD2 3.48Å; M3241-L3251 HydrophobicContact SD-CD2 4.39Å; L3251-I3253 HydrophobicContact CD1-CD1 4.07Å; L3251-I3253 HydrophobicContact CD2-CD1 4.12Å; L3251-I3253 HydrophobicContact CG-CD1 4.01Å; L3251-D3378 PolarHBondContact N-OD2 3.38Å; L3251-D3378 VanDerWaalsContact N-OD2 3.15Å; L3251-R3380 VanDerWaalsContact O-CZ 3.23Å; L3251-R3380 PolarHBondContact O-NH1 3.23Å; L3251-R3380 PolarHBondContact O-NH2 3.02Å
3252E91.1Very high86Confident23.3333 Ų23.333343 Ų4311%0.10925%0.246CC..EExtended strand (participates in β ladder)trans-122.2141.4168.4-96.5-174.7153.400110.2K3195 E3196 F3197 V3198 T3261 G3262 T3266K3195-E3252 WeakPolarHBondContact CD-OE1 3.44Å; K3195-E3252 WeakPolarHBondContact CE-OE1 3.37Å; K3195-E3252 IonicContact NZ-OE1 3Å; K3195-E3252 PolarHBondContact NZ-OE1 2.98Å; E3196-E3252 PolarHBondContact O-N 3.32Å; F3197-E3252 CarbonylContact C-O 3.52Å; F3197-E3252 VanDerWaalsContact CA-O 3.26Å; F3197-E3252 WeakPolarHBondContact CA-O 3.29Å; F3197-E3252 HydrophobicContact CB-CB 4.15Å; V3198-E3252 PolarHBondContact N-O 2.94Å; E3252-T3261 VanDerWaalsContact OE1-CB 3.3Å; E3252-T3261 WeakPolarHBondContact OE1-CB 3.11Å; E3252-T3261 PolarHBondContact OE1-OG1 2.91Å; E3252-G3262 WeakPolarHBondContact OE1-CA 3.4Å; E3252-G3262 PolarHBondContact OE1-N 3.37Å; E3252-T3266 WeakPolarHBondContact CA-OG1 3.32Å
3253I91.7Very high85.6Confident0.333333 Ų0.33333344.1 Ų44.10%0.00225%0.253CS..EExtended strand (participates in β ladder)trans-109.2143.6-177.4-56.7-62.9000111.2V3198 I3200 L3240 L3251 F3255 P3265 T3266 F3269V3198-I3253 HydrophobicContact CB-CD1 4.4Å; I3200-I3253 HydrophobicContact CD1-CD1 4.39Å; I3200-I3253 HydrophobicContact CD1-CG2 3.64Å; I3200-I3253 HydrophobicContact CG1-CG2 3.86Å; L3240-I3253 HydrophobicContact CD2-CD1 3.66Å; L3251-I3253 HydrophobicContact CD1-CD1 4.07Å; L3251-I3253 HydrophobicContact CD2-CD1 4.12Å; L3251-I3253 HydrophobicContact CG-CD1 4.01Å; I3253-F3255 HydrophobicContact CG2-CE1 4.35Å; I3253-F3255 HydrophobicContact CG2-CE2 4.4Å; I3253-F3255 HydrophobicContact CG2-CZ 4.27Å; I3253-P3265 WeakPolarHBondContact O-CB 3.16Å; I3253-T3266 HydrophobicContact CG1-CG2 4.11Å; I3253-T3266 PolarHBondContact N-OG1 3.16Å; I3253-F3269 HydrophobicContact CB-CB 4.3Å; I3253-F3269 HydrophobicContact CD1-CD1 4.26Å; I3253-F3269 HydrophobicContact CD1-CD2 4.34Å; I3253-F3269 HydrophobicContact CD1-CG 4.16Å; I3253-F3269 HydrophobicContact CG1-CB 3.81Å; I3253-F3269 HydrophobicContact CG1-CD1 4.05Å; I3253-F3269 HydrophobicContact CG1-CD2 4.38Å; I3253-F3269 HydrophobicContact CG1-CG 3.84Å; I3253-F3269 HydrophobicContact CG2-CB 4.14Å; I3253-F3269 HydrophobicContact CG2-CD2 4.44Å; I3253-F3269 HydrophobicContact CG2-CG 4.45Å
3254Q90Very high85.3Confident40.3333 Ų40.333343.8 Ų43.819%0.18826%0.256CS..EExtended strand (participates in β ladder)trans-129.4124.5164.2173.7165.651.700109V3198 R3199 I3200 E3258 G3260 T3261V3198-Q3254 PolarHBondContact O-N 3.09Å; R3199-Q3254 CarbonylContact C-O 3.5Å; R3199-Q3254 VanDerWaalsContact CA-O 3.28Å; R3199-Q3254 WeakPolarHBondContact CA-O 3.28Å; R3199-Q3254 HydrophobicContact CG-CB 4.13Å; R3199-Q3254 HydrophobicContact CG-CG 4.22Å; R3199-Q3254 VanDerWaalsContact CZ-OE1 3.26Å; I3200-Q3254 PolarHBondContact N-O 3.18Å; I3200-Q3254 VanDerWaalsContact N-O 3.12Å; Q3254-E3258 PolarHBondContact NE2-O 3.39Å; Q3254-G3260 WeakPolarHBondContact CG-O 3.1Å; Q3254-G3260 PolarHBondContact NE2-O 3.04Å; Q3254-T3261 HydrophobicContact CB-CG2 4.05Å; Q3254-T3261 VanDerWaalsContact CD-CG2 3.5Å; Q3254-T3261 HydrophobicContact CG-CG2 3.98Å
3255F88.6Confident85.2Confident2 Ų244.3 Ų44.31%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-77.1137.7173.4-66.5-70.9000111.1I3200 R3202 F3233 I3253 G3257 E3258 P3265 E3268 F3269 L3272 F3806I3200-F3255 HydrophobicContact CD1-CD1 4.24Å; I3200-F3255 HydrophobicContact CD1-CE1 3.83Å; I3200-F3255 HydrophobicContact CG1-CD1 3.87Å; I3200-F3255 HydrophobicContact CG1-CE1 3.99Å; I3200-F3255 CarbonylContact O-C 3.58Å; I3200-F3255 VanDerWaalsContact O-CA 3.29Å; I3200-F3255 WeakPolarHBondContact O-CA 3.4Å; R3202-F3255 HydrophobicContact CB-CB 4.49Å; R3202-F3255 HydrophobicContact CB-CD1 3.76Å; R3202-F3255 HydrophobicContact CB-CE1 4.29Å; R3202-F3255 HydrophobicContact CB-CG 4.29Å; R3202-F3255 HydrophobicContact CG-CD1 4.37Å; R3202-F3255 HydrophobicContact CG-CE1 4.42Å; R3202-F3255 VanDerWaalsContact NH2-CD2 3.3Å; F3233-F3255 HydrophobicContact CE2-CE1 4.31Å; I3253-F3255 HydrophobicContact CG2-CE1 4.35Å; I3253-F3255 HydrophobicContact CG2-CE2 4.4Å; I3253-F3255 HydrophobicContact CG2-CZ 4.27Å; F3255-G3257 PolarHBondContact O-N 2.91Å; F3255-G3257 VanDerWaalsContact O-N 3.09Å; F3255-E3258 HydrophobicContact CB-CB 4.12Å; F3255-E3258 VanDerWaalsContact CB-CD 3.45Å; F3255-E3258 HydrophobicContact CB-CG 4.16Å; F3255-E3258 VanDerWaalsContact CB-OE1 3.28Å; F3255-E3258 WeakPolarHBondContact CB-OE1 3.36Å; F3255-E3258 WeakPolarHBondContact CD2-OE2 3.08Å; F3255-E3258 PolarHBondContact O-N 2.88Å; F3255-P3265 HydrophobicContact CD2-CB 4.13Å; F3255-P3265 HydrophobicContact CE2-CB 4.05Å; F3255-P3265 WeakPolarHBondContact CE2-O 3.34Å; F3255-E3268 HydrophobicContact CE2-CB 4.35Å; F3255-E3268 HydrophobicContact CE2-CG 4.21Å; F3255-E3268 WeakPolarHBondContact CE2-OE2 3.35Å; F3255-E3268 HydrophobicContact CZ-CG 4.37Å; F3255-F3269 HydrophobicContact CZ-CB 4.14Å; F3255-L3272 HydrophobicContact CE1-CD1 3.95Å; F3255-L3272 HydrophobicContact CZ-CD1 3.78Å; F3255-F3806 HydrophobicContact CD2-CE2 4.05Å; F3255-F3806 HydrophobicContact CE2-CE2 4.21Å
3256I84.9Confident85.2Confident52.3333 Ų52.333343.5 Ų43.527%0.26825%0.253SS..THydrogen-bonded Turntrans-73110.1-177.3-65.1171.5000109.8R3199 I3200 P3201 E3258R3199-I3256 HydrophobicContact CB-CD1 4.31Å; R3199-I3256 HydrophobicContact CB-CG1 3.98Å; I3200-I3256 WeakPolarHBondContact O-CG1 3.34Å; I3200-I3256 PolarHBondContact O-N 3.07Å; P3201-I3256 HydrophobicContact CB-CD1 4.46Å; I3256-E3258 VanDerWaalsContact C-N 3.35Å
3257G79.9Confident85.4Confident70 Ų7040.9 Ų40.972%0.72223%0.232SC*.THydrogen-bonded Turntrans110-9.2-178.900000113.7F3255F3255-G3257 PolarHBondContact O-N 2.91Å; F3255-G3257 VanDerWaalsContact O-N 3.09Å
3258E82.9Confident85.4Confident45.6667 Ų45.666739.3 Ų39.321%0.21323%0.228CC..SBendtrans-105.3144.2-179.2-68.6171-134.600112.1R3202 Q3254 F3255 I3256 G3260 G3805 F3806 Y3807R3202-E3258 WeakPolarHBondContact CB-OE1 3.46Å; R3202-E3258 VanDerWaalsContact CD-OE1 3.23Å; R3202-E3258 WeakPolarHBondContact CD-OE1 3.35Å; R3202-E3258 IonicContact CZ-OE1 2.71Å; R3202-E3258 IonicContact CZ-OE2 3.21Å; R3202-E3258 IonicContact NE-OE1 2.96Å; R3202-E3258 PolarHBondContact NE-OE1 3.18Å; R3202-E3258 IonicContact NE-OE2 2.71Å; R3202-E3258 PolarHBondContact NE-OE2 3.43Å; R3202-E3258 IonicContact NH2-OE1 3.64Å; R3202-E3258 PolarHBondContact NH2-OE1 2.8Å; R3202-E3258 VanDerWaalsContact NH2-OE1 3.16Å; R3202-E3258 IonicContact NH2-OE2 3.37Å; R3202-E3258 PolarHBondContact NH2-OE2 2.97Å; Q3254-E3258 PolarHBondContact NE2-O 3.39Å; F3255-E3258 HydrophobicContact CB-CB 4.12Å; F3255-E3258 VanDerWaalsContact CB-CD 3.45Å; F3255-E3258 HydrophobicContact CB-CG 4.16Å; F3255-E3258 VanDerWaalsContact CB-OE1 3.28Å; F3255-E3258 WeakPolarHBondContact CB-OE1 3.36Å; F3255-E3258 WeakPolarHBondContact CD2-OE2 3.08Å; F3255-E3258 PolarHBondContact O-N 2.88Å; I3256-E3258 VanDerWaalsContact C-N 3.35Å; E3258-G3260 VanDerWaalsContact C-N 3.3Å; E3258-G3260 PolarHBondContact O-N 3.11Å; E3258-G3260 VanDerWaalsContact O-N 3.11Å; E3258-G3805 WeakPolarHBondContact OE2-CA 3.49Å; E3258-F3806 VanDerWaalsContact OE2-CD2 3.3Å; E3258-F3806 WeakPolarHBondContact OE2-CD2 3.22Å; E3258-F3806 PolarHBondContact OE2-N 3.12Å; E3258-Y3807 HydrophobicContact CG-CE1 3.89Å
3259E75.1Confident85.8Confident193.333 Ų193.33336.6 Ų36.690%0.90322%0.216SC*.SBendtrans-83.780.7173-64.9-161.916300111.4
3260G75.5Confident86Confident26.3333 Ų26.333336.4 Ų36.427%0.27121%0.214SC..  trans-166141.8177.300000113.8Q3254 E3258Q3254-G3260 WeakPolarHBondContact CG-O 3.1Å; Q3254-G3260 PolarHBondContact NE2-O 3.04Å; E3258-G3260 VanDerWaalsContact C-N 3.3Å; E3258-G3260 PolarHBondContact O-N 3.11Å; E3258-G3260 VanDerWaalsContact O-N 3.11Å
3261T79.6Confident86Confident80 Ų8035.9 Ų35.949%0.49122%0.215SC..  trans-143.3163.3167.769.90000110E3252 Q3254E3252-T3261 VanDerWaalsContact OE1-CB 3.3Å; E3252-T3261 WeakPolarHBondContact OE1-CB 3.11Å; E3252-T3261 PolarHBondContact OE1-OG1 2.91Å; Q3254-T3261 HydrophobicContact CB-CG2 4.05Å; Q3254-T3261 VanDerWaalsContact CD-CG2 3.5Å; Q3254-T3261 HydrophobicContact CG-CG2 3.98Å
3262G82Confident85.8Confident12.6667 Ų12.666736.1 Ų36.113%0.13122%0.215CC..BIsolated β-bridgetrans101.4-156.3173.100000113.6E3252 G3264 P3265 T3266E3252-G3262 WeakPolarHBondContact OE1-CA 3.4Å; E3252-G3262 PolarHBondContact OE1-N 3.37Å; G3262-G3264 PolarHBondContact O-N 3.16Å; G3262-P3265 WeakPolarHBondContact O-CD 3.43Å; G3262-T3266 WeakPolarHBondContact O-CB 3.44Å; G3262-T3266 PolarHBondContact O-N 3.07Å; G3262-T3266 PolarHBondContact O-OG1 3.28Å
3263L82.6Confident85.8Confident70.6667 Ų70.666735 Ų3537%0.3721%0.21SC..Hα-helixtrans-59.9-40.5-168.5-144.995.2000113.7T3266 L3267L3263-T3266 WeakPolarHBondContact O-CB 3.42Å; L3263-T3266 PolarHBondContact O-N 3.07Å; L3263-L3267 HydrophobicContact CD1-CD1 4.23Å; L3263-L3267 HydrophobicContact CD1-CG 4.19Å; L3263-L3267 HydrophobicContact CD2-CD1 4.4Å; L3263-L3267 HydrophobicContact CG-CD1 3.88Å; L3263-L3267 HydrophobicContact CG-CG 4.25Å; L3263-L3267 WeakPolarHBondContact O-CB 3.33Å; L3263-L3267 VanDerWaalsContact O-CG 3.31Å; L3263-L3267 WeakPolarHBondContact O-CG 3.32Å; L3263-L3267 PolarHBondContact O-N 3.39Å
3264G84.9Confident85.8Confident16.6667 Ų16.666735 Ų3517%0.17221%0.211CC..Hα-helixtrans-59.5-62.5-177.900000113.6G3262 T3266 L3267 E3268 T3777 C3778G3262-G3264 PolarHBondContact O-N 3.16Å; G3264-T3266 PolarHBondContact O-N 3.12Å; G3264-T3266 VanDerWaalsContact O-N 3.13Å; G3264-L3267 PolarHBondContact O-N 3.22Å; G3264-L3267 VanDerWaalsContact O-N 3.15Å; G3264-E3268 WeakPolarHBondContact O-CB 3.32Å; G3264-E3268 PolarHBondContact O-N 3.16Å; G3264-T3777 VanDerWaalsContact CA-OG1 3.28Å; G3264-T3777 WeakPolarHBondContact CA-OG1 3.36Å; G3264-C3778 PolarHBondContact N-SG 2.92Å
3265P88.8Confident85.6Confident11.6667 Ų11.666733.4 Ų33.48%0.07620%0.204CC..Hα-helixtrans-57.4-27.1174.6-26.535.3000113.7I3253 F3255 G3262 F3269 F3806I3253-P3265 WeakPolarHBondContact O-CB 3.16Å; F3255-P3265 HydrophobicContact CD2-CB 4.13Å; F3255-P3265 HydrophobicContact CE2-CB 4.05Å; F3255-P3265 WeakPolarHBondContact CE2-O 3.34Å; G3262-P3265 WeakPolarHBondContact O-CD 3.43Å; P3265-F3269 WeakPolarHBondContact O-CB 3.39Å; P3265-F3269 PolarHBondContact O-N 3.27Å; P3265-F3806 HydrophobicContact CB-CE2 3.91Å; P3265-F3806 HydrophobicContact CB-CZ 4.29Å; P3265-F3806 HydrophobicContact CG-CD2 4.4Å; P3265-F3806 HydrophobicContact CG-CE2 3.82Å; P3265-F3806 HydrophobicContact CG-CZ 4.07Å
3266T91Very high85.6Confident0.333333 Ų0.33333333.8 Ų33.80%0.00221%0.206CC..Hα-helixtrans-74.8-41.1177.7-53.70000112.7E3252 I3253 G3262 L3263 G3264 E3268 F3269 Y3270 R3380E3252-T3266 WeakPolarHBondContact CA-OG1 3.32Å; I3253-T3266 HydrophobicContact CG1-CG2 4.11Å; I3253-T3266 PolarHBondContact N-OG1 3.16Å; G3262-T3266 WeakPolarHBondContact O-CB 3.44Å; G3262-T3266 PolarHBondContact O-N 3.07Å; G3262-T3266 PolarHBondContact O-OG1 3.28Å; L3263-T3266 WeakPolarHBondContact O-CB 3.42Å; L3263-T3266 PolarHBondContact O-N 3.07Å; G3264-T3266 PolarHBondContact O-N 3.12Å; G3264-T3266 VanDerWaalsContact O-N 3.13Å; T3266-E3268 VanDerWaalsContact C-N 3.29Å; T3266-F3269 WeakPolarHBondContact O-CB 3.03Å; T3266-F3269 PolarHBondContact O-N 3.05Å; T3266-Y3270 HydrophobicContact CG2-CD2 4.36Å; T3266-Y3270 HydrophobicContact CG2-CE2 3.96Å; T3266-Y3270 WeakPolarHBondContact O-CD2 3.36Å; T3266-Y3270 PolarHBondContact O-N 3.24Å; T3266-R3380 VanDerWaalsContact CG2-CZ 3.4Å; T3266-R3380 VanDerWaalsContact CG2-NH1 3.31Å
3267L88.3Confident86Confident37 Ų3731.3 Ų31.319%0.19419%0.193CC..Hα-helixtrans-65.7-41.3172.5-70.7169.9000110.7L3263 G3264 F3269 Y3270 S3271 R3380 T3742 G3743 C3744L3263-L3267 HydrophobicContact CD1-CD1 4.23Å; L3263-L3267 HydrophobicContact CD1-CG 4.19Å; L3263-L3267 HydrophobicContact CD2-CD1 4.4Å; L3263-L3267 HydrophobicContact CG-CD1 3.88Å; L3263-L3267 HydrophobicContact CG-CG 4.25Å; L3263-L3267 WeakPolarHBondContact O-CB 3.33Å; L3263-L3267 VanDerWaalsContact O-CG 3.31Å; L3263-L3267 WeakPolarHBondContact O-CG 3.32Å; L3263-L3267 PolarHBondContact O-N 3.39Å; G3264-L3267 PolarHBondContact O-N 3.22Å; G3264-L3267 VanDerWaalsContact O-N 3.15Å; L3267-F3269 VanDerWaalsContact C-N 3.32Å; L3267-F3269 PolarHBondContact O-N 3.3Å; L3267-Y3270 WeakPolarHBondContact O-CA 3.47Å; L3267-Y3270 PolarHBondContact O-N 2.97Å; L3267-S3271 PolarHBondContact O-N 3.43Å; L3267-S3271 PolarHBondContact O-OG 2.96Å; L3267-R3380 HydrophobicContact CD2-CB 4.31Å; L3267-R3380 HydrophobicContact CD2-CG 4.33Å; L3267-T3742 VanDerWaalsContact CD1-O 3.3Å; L3267-T3742 WeakPolarHBondContact CD1-O 3.47Å; L3267-G3743 CarbonylContact C-O 3.53Å; L3267-G3743 VanDerWaalsContact CB-O 3.29Å; L3267-G3743 WeakPolarHBondContact CB-O 3.01Å; L3267-C3744 HydrophobicContact CB-CB 4.5Å; L3267-C3744 HydrophobicContact CD1-CB 4.33Å
3268E86.3Confident86.5Confident48.3333 Ų48.333329.3 Ų29.323%0.22616%0.164CC..Hα-helixtrans-59.3-42.8174.8-176.3144.6-160.100111.8R3202 F3255 G3264 T3266 Y3270 S3271 L3272 Q3739 G3743 F3806R3202-E3268 IonicContact CZ-OE1 3.33Å; R3202-E3268 IonicContact CZ-OE2 3.21Å; R3202-E3268 IonicContact NH1-OE1 3.36Å; R3202-E3268 PolarHBondContact NH1-OE1 3.09Å; R3202-E3268 IonicContact NH1-OE2 3.59Å; R3202-E3268 VanDerWaalsContact NH2-CD 3.32Å; R3202-E3268 IonicContact NH2-OE1 3.64Å; R3202-E3268 PolarHBondContact NH2-OE1 3.02Å; R3202-E3268 IonicContact NH2-OE2 3.57Å; R3202-E3268 PolarHBondContact NH2-OE2 3.04Å; F3255-E3268 HydrophobicContact CE2-CB 4.35Å; F3255-E3268 HydrophobicContact CE2-CG 4.21Å; F3255-E3268 WeakPolarHBondContact CE2-OE2 3.35Å; F3255-E3268 HydrophobicContact CZ-CG 4.37Å; G3264-E3268 WeakPolarHBondContact O-CB 3.32Å; G3264-E3268 PolarHBondContact O-N 3.16Å; T3266-E3268 VanDerWaalsContact C-N 3.29Å; E3268-Y3270 VanDerWaalsContact C-N 3.32Å; E3268-Y3270 PolarHBondContact O-N 3.25Å; E3268-S3271 CarbonylContact O-C 3.6Å; E3268-S3271 WeakPolarHBondContact O-CA 3.46Å; E3268-S3271 WeakPolarHBondContact O-CB 3.3Å; E3268-S3271 PolarHBondContact O-N 3.39Å; E3268-S3271 VanDerWaalsContact O-N 3.13Å; E3268-L3272 HydrophobicContact CG-CD1 4.32Å; E3268-L3272 HydrophobicContact CG-CG 4.41Å; E3268-L3272 VanDerWaalsContact O-CG 3.29Å; E3268-L3272 WeakPolarHBondContact O-CG 3.3Å; E3268-L3272 PolarHBondContact O-N 3.12Å; E3268-Q3739 PolarHBondContact OE2-NE2 3.18Å; E3268-G3743 PolarHBondContact N-O 3.05Å; E3268-F3806 HydrophobicContact CB-CZ 4.16Å; E3268-F3806 HydrophobicContact CG-CZ 4.37Å
3269F91.6Very high86.6Confident0 Ų028.4 Ų28.40%016%0.159CC..Hα-helixtrans-55-43.3172.2166.3-96000113.1I3200 F3233 A3237 L3240 M3241 I3253 F3255 P3265 T3266 L3267 S3271 L3272 L3273I3200-F3269 HydrophobicContact CD1-CD2 3.63Å; I3200-F3269 HydrophobicContact CD1-CE2 3.67Å; I3200-F3269 HydrophobicContact CD1-CG 4.19Å; I3200-F3269 HydrophobicContact CD1-CZ 4.49Å; F3233-F3269 AromaticContact CE2-CD2 3.83Å; F3233-F3269 HydrophobicContact CE2-CD2 3.83Å; F3233-F3269 HydrophobicContact CE2-CE2 4.1Å; F3233-F3269 AromaticContact CZ-CD2 3.61Å; F3233-F3269 HydrophobicContact CZ-CD2 3.61Å; F3233-F3269 AromaticContact CZ-CE2 3.8Å; F3233-F3269 HydrophobicContact CZ-CE2 3.8Å; A3237-F3269 HydrophobicContact CB-CE2 3.7Å; A3237-F3269 HydrophobicContact CB-CZ 3.99Å; L3240-F3269 HydrophobicContact CD2-CE2 4.33Å; L3240-F3269 HydrophobicContact CD2-CZ 4.06Å; M3241-F3269 HydrophobicContact CE-CE1 3.6Å; M3241-F3269 VanDerWaalsContact CE-CE1 3.45Å; M3241-F3269 HydrophobicContact CE-CZ 3.85Å; M3241-F3269 HydrophobicContact CG-CZ 4.41Å; M3241-F3269 HydrophobicContact SD-CE1 3.96Å; M3241-F3269 HydrophobicContact SD-CZ 3.95Å; I3253-F3269 HydrophobicContact CB-CB 4.3Å; I3253-F3269 HydrophobicContact CD1-CD1 4.26Å; I3253-F3269 HydrophobicContact CD1-CD2 4.34Å; I3253-F3269 HydrophobicContact CD1-CG 4.16Å; I3253-F3269 HydrophobicContact CG1-CB 3.81Å; I3253-F3269 HydrophobicContact CG1-CD1 4.05Å; I3253-F3269 HydrophobicContact CG1-CD2 4.38Å; I3253-F3269 HydrophobicContact CG1-CG 3.84Å; I3253-F3269 HydrophobicContact CG2-CB 4.14Å; I3253-F3269 HydrophobicContact CG2-CD2 4.44Å; I3253-F3269 HydrophobicContact CG2-CG 4.45Å; F3255-F3269 HydrophobicContact CZ-CB 4.14Å; P3265-F3269 WeakPolarHBondContact O-CB 3.39Å; P3265-F3269 PolarHBondContact O-N 3.27Å; T3266-F3269 WeakPolarHBondContact O-CB 3.03Å; T3266-F3269 PolarHBondContact O-N 3.05Å; L3267-F3269 VanDerWaalsContact C-N 3.32Å; L3267-F3269 PolarHBondContact O-N 3.3Å; F3269-S3271 VanDerWaalsContact C-N 3.29Å; F3269-S3271 PolarHBondContact O-N 3.04Å; F3269-L3272 PolarHBondContact O-N 3.19Å; F3269-L3273 HydrophobicContact CE1-CD2 4.13Å; F3269-L3273 HydrophobicContact CZ-CD2 4.09Å; F3269-L3273 VanDerWaalsContact O-CB 3.27Å; F3269-L3273 WeakPolarHBondContact O-CB 3.35Å; F3269-L3273 PolarHBondContact O-N 3.14Å
3270Y91.9Very high87.1Confident0.333333 Ų0.33333321.6 Ų21.60%0.00113%0.125CC..Hα-helixtrans-68-34.2176-71.8-69.7000112.4M3241 T3266 L3267 E3268 L3273 A3274 T3371 C3375 R3380M3241-Y3270 HydrophobicContact CE-CE1 4.14Å; M3241-Y3270 HydrophobicContact SD-CE1 4.29Å; T3266-Y3270 HydrophobicContact CG2-CD2 4.36Å; T3266-Y3270 HydrophobicContact CG2-CE2 3.96Å; T3266-Y3270 WeakPolarHBondContact O-CD2 3.36Å; T3266-Y3270 PolarHBondContact O-N 3.24Å; L3267-Y3270 WeakPolarHBondContact O-CA 3.47Å; L3267-Y3270 PolarHBondContact O-N 2.97Å; E3268-Y3270 VanDerWaalsContact C-N 3.32Å; E3268-Y3270 PolarHBondContact O-N 3.25Å; Y3270-L3273 PolarHBondContact O-N 3.29Å; Y3270-A3274 WeakPolarHBondContact O-CB 3.32Å; Y3270-A3274 PolarHBondContact O-N 3.18Å; Y3270-T3371 HydrophobicContact CD1-CG2 3.93Å; Y3270-T3371 HydrophobicContact CE1-CG2 4.11Å; Y3270-C3375 VanDerWaalsContact CD1-SG 3.52Å; Y3270-C3375 WeakPolarHBondContact CD1-SG 3.39Å; Y3270-C3375 WeakPolarHBondContact CE1-SG 3.29Å; Y3270-R3380 HydrophobicContact CE2-CB 4.49Å; Y3270-R3380 VanDerWaalsContact CE2-CD 3.43Å; Y3270-R3380 PolarHBondContact OH-NH1 2.84Å
3271S87.4Confident87.4Confident23.3333 Ų23.333324.6 Ų24.616%0.16314%0.135CC..Hα-helixtrans-66.8-42.1173.3-60.20000112.1L3267 E3268 F3269 A3274 A3275 D3383 G3743L3267-S3271 PolarHBondContact O-N 3.43Å; L3267-S3271 PolarHBondContact O-OG 2.96Å; E3268-S3271 CarbonylContact O-C 3.6Å; E3268-S3271 WeakPolarHBondContact O-CA 3.46Å; E3268-S3271 WeakPolarHBondContact O-CB 3.3Å; E3268-S3271 PolarHBondContact O-N 3.39Å; E3268-S3271 VanDerWaalsContact O-N 3.13Å; F3269-S3271 VanDerWaalsContact C-N 3.29Å; F3269-S3271 PolarHBondContact O-N 3.04Å; S3271-A3274 WeakPolarHBondContact O-CB 3.22Å; S3271-A3274 PolarHBondContact O-N 3.01Å; S3271-A3275 WeakPolarHBondContact O-CB 3.36Å; S3271-A3275 PolarHBondContact O-N 3.25Å; S3271-D3383 WeakPolarHBondContact CB-OD2 3.49Å; S3271-D3383 PolarHBondContact OG-OD2 2.93Å; S3271-G3743 PolarHBondContact OG-O 3.19Å
3272L88Confident87.7Confident2.66667 Ų2.6666720.9 Ų20.91%0.01411%0.113CC..Hα-helixtrans-63.9-42.7174-63176.4000111.3R3202 F3233 F3255 E3268 F3269 A3274 A3275 E3276 T3306 S3308R3202-L3272 HydrophobicContact CG-CD1 4.09Å; F3233-L3272 HydrophobicContact CD1-CB 4.3Å; F3233-L3272 HydrophobicContact CD2-CD1 4.48Å; F3233-L3272 HydrophobicContact CE1-CB 3.54Å; F3233-L3272 VanDerWaalsContact CE1-CB 3.5Å; F3233-L3272 HydrophobicContact CE2-CB 4.24Å; F3233-L3272 HydrophobicContact CE2-CD1 4.18Å; F3233-L3272 HydrophobicContact CZ-CB 3.56Å; F3233-L3272 VanDerWaalsContact CZ-CB 3.49Å; F3233-L3272 HydrophobicContact CZ-CD1 4.21Å; F3233-L3272 HydrophobicContact CZ-CG 4.48Å; F3255-L3272 HydrophobicContact CE1-CD1 3.95Å; F3255-L3272 HydrophobicContact CZ-CD1 3.78Å; E3268-L3272 HydrophobicContact CG-CD1 4.32Å; E3268-L3272 HydrophobicContact CG-CG 4.41Å; E3268-L3272 VanDerWaalsContact O-CG 3.29Å; E3268-L3272 WeakPolarHBondContact O-CG 3.3Å; E3268-L3272 PolarHBondContact O-N 3.12Å; F3269-L3272 PolarHBondContact O-N 3.19Å; L3272-A3274 VanDerWaalsContact C-N 3.34Å; L3272-A3274 PolarHBondContact O-N 3.44Å; L3272-A3275 WeakPolarHBondContact O-CB 3.43Å; L3272-A3275 PolarHBondContact O-N 3.07Å; L3272-A3275 VanDerWaalsContact O-N 3.11Å; L3272-E3276 PolarHBondContact O-N 3.02Å; L3272-T3306 HydrophobicContact CD2-CG2 3.7Å; L3272-S3308 VanDerWaalsContact CD2-OG 3.23Å; L3272-S3308 WeakPolarHBondContact CD2-OG 3.42Å
3273L91.6Very high88Confident0 Ų022 Ų220%012%0.115CC..Hα-helixtrans-66.2-37.1176.5-179.654.1000111.9F3233 W3234 A3237 M3241 F3269 Y3270 A3275 E3276 L3277 T3371F3233-L3273 HydrophobicContact CE1-CB 4.37Å; W3234-L3273 HydrophobicContact CE3-CD1 3.97Å; W3234-L3273 HydrophobicContact CZ3-CD1 3.69Å; A3237-L3273 HydrophobicContact CB-CD1 3.97Å; A3237-L3273 HydrophobicContact CB-CD2 4.47Å; M3241-L3273 HydrophobicContact CG-CD2 3.87Å; M3241-L3273 HydrophobicContact SD-CD2 4.32Å; F3269-L3273 HydrophobicContact CE1-CD2 4.13Å; F3269-L3273 HydrophobicContact CZ-CD2 4.09Å; F3269-L3273 VanDerWaalsContact O-CB 3.27Å; F3269-L3273 WeakPolarHBondContact O-CB 3.35Å; F3269-L3273 PolarHBondContact O-N 3.14Å; Y3270-L3273 PolarHBondContact O-N 3.29Å; L3273-A3275 VanDerWaalsContact C-N 3.31Å; L3273-A3275 PolarHBondContact O-N 3.07Å; L3273-E3276 PolarHBondContact O-N 3.23Å; L3273-L3277 HydrophobicContact CD1-CD1 4.32Å; L3273-L3277 HydrophobicContact CD1-CG 4.39Å; L3273-L3277 HydrophobicContact CG-CD1 4.21Å; L3273-L3277 WeakPolarHBondContact O-CB 3.18Å; L3273-L3277 VanDerWaalsContact O-CG 3.29Å; L3273-L3277 WeakPolarHBondContact O-CG 3.29Å; L3273-L3277 PolarHBondContact O-N 3.15Å; L3273-T3371 HydrophobicContact CD2-CG2 3.64Å; L3273-T3371 WeakPolarHBondContact CD2-OG1 3.44Å; L3273-T3371 HydrophobicContact CG-CG2 4.31Å
3274A90.6Very high88.5Confident1 Ų118.6 Ų18.61%0.00810%0.098CC..Hα-helixtrans-62.8-38.8171.600000112.1Y3270 S3271 L3272 L3277 R3278 I3382 D3383 L3384Y3270-A3274 WeakPolarHBondContact O-CB 3.32Å; Y3270-A3274 PolarHBondContact O-N 3.18Å; S3271-A3274 WeakPolarHBondContact O-CB 3.22Å; S3271-A3274 PolarHBondContact O-N 3.01Å; L3272-A3274 VanDerWaalsContact C-N 3.34Å; L3272-A3274 PolarHBondContact O-N 3.44Å; A3274-L3277 CarbonylContact O-C 3.54Å; A3274-L3277 PolarHBondContact O-N 3.47Å; A3274-R3278 WeakPolarHBondContact O-CB 3.43Å; A3274-R3278 WeakPolarHBondContact O-CG 3.31Å; A3274-R3278 PolarHBondContact O-N 3.05Å; A3274-R3278 PolarHBondContact O-NE 3.27Å; A3274-I3382 HydrophobicContact CB-CD1 4.17Å; A3274-I3382 HydrophobicContact CB-CG1 3.74Å; A3274-D3383 HydrophobicContact CB-CB 4.41Å; A3274-D3383 WeakPolarHBondContact CB-O 3.49Å; A3274-L3384 HydrophobicContact CB-CD2 4.07Å; A3274-L3384 HydrophobicContact CB-CG 3.98Å
3275A86Confident88.9Confident7 Ų717.9 Ų17.96%0.0589%0.09CC..Hα-helixtrans-65.4-45.7174.400000111.4S3271 L3272 L3273 L3277 R3278 R3279 T3306 Y3340S3271-A3275 WeakPolarHBondContact O-CB 3.36Å; S3271-A3275 PolarHBondContact O-N 3.25Å; L3272-A3275 WeakPolarHBondContact O-CB 3.43Å; L3272-A3275 PolarHBondContact O-N 3.07Å; L3272-A3275 VanDerWaalsContact O-N 3.11Å; L3273-A3275 VanDerWaalsContact C-N 3.31Å; L3273-A3275 PolarHBondContact O-N 3.07Å; A3275-L3277 VanDerWaalsContact C-N 3.28Å; A3275-L3277 PolarHBondContact O-N 3.15Å; A3275-R3278 WeakPolarHBondContact O-CA 3.35Å; A3275-R3278 PolarHBondContact O-N 3.07Å; A3275-R3279 WeakPolarHBondContact O-CG 3.31Å; A3275-R3279 PolarHBondContact O-N 3.22Å; A3275-T3306 HydrophobicContact CB-CG2 3.68Å; A3275-T3306 VanDerWaalsContact CB-CG2 3.47Å; A3275-Y3340 HydrophobicContact CB-CD1 4.47Å; A3275-Y3340 HydrophobicContact CB-CE1 3.87Å; A3275-Y3340 WeakPolarHBondContact O-CD1 3.31Å; A3275-Y3340 VanDerWaalsContact O-CE1 3.28Å; A3275-Y3340 WeakPolarHBondContact O-CE1 3.43Å
3276E88.7Confident89Confident10 Ų1017.9 Ų17.95%0.0479%0.089CC..Hα-helixtrans-60.4-34.8175.1-73.7-56.1121.800113.5F3233 W3234 L3272 L3273 R3278 R3279 S3308 R3364F3233-E3276 HydrophobicContact CD1-CG 3.75Å; F3233-E3276 HydrophobicContact CE1-CG 4.2Å; W3234-E3276 HydrophobicContact CB-CB 4.48Å; W3234-E3276 HydrophobicContact CB-CG 4.26Å; W3234-E3276 HydrophobicContact CE3-CB 3.84Å; W3234-E3276 HydrophobicContact CZ3-CB 4.44Å; L3272-E3276 PolarHBondContact O-N 3.02Å; L3273-E3276 PolarHBondContact O-N 3.23Å; E3276-R3278 VanDerWaalsContact C-N 3.32Å; E3276-R3279 WeakPolarHBondContact O-CG 3.44Å; E3276-R3279 WeakPolarHBondContact OE1-CD 3.45Å; E3276-R3279 IonicContact OE1-CZ 3.22Å; E3276-R3279 IonicContact OE1-NH1 3.67Å; E3276-R3279 PolarHBondContact OE1-NH1 3.45Å; E3276-R3279 VanDerWaalsContact OE2-CD 3.3Å; E3276-R3279 WeakPolarHBondContact OE2-CD 3.32Å; E3276-R3279 IonicContact OE2-NE 3.64Å; E3276-R3279 IonicContact OE2-NH1 2.71Å; E3276-S3308 WeakPolarHBondContact OE1-CB 3.44Å; E3276-S3308 PolarHBondContact OE1-OG 2.87Å; E3276-R3364 PolarHBondContact O-NH1 3.24Å; E3276-R3364 VanDerWaalsContact O-NH1 3.16Å
3277L92.3Very high88.8Confident0 Ų018.5 Ų18.50%09%0.093CC..Hα-helixtrans-73.8-23.8173.7-71.4166.8000112.6W3234 L3273 A3274 A3275 M3284 W3285 R3364 L3368 L3384W3234-L3277 HydrophobicContact CH2-CD2 3.7Å; W3234-L3277 HydrophobicContact CH2-CG 4.46Å; W3234-L3277 HydrophobicContact CZ3-CD2 3.6Å; W3234-L3277 HydrophobicContact CZ3-CG 3.97Å; L3273-L3277 HydrophobicContact CD1-CD1 4.32Å; L3273-L3277 HydrophobicContact CD1-CG 4.39Å; L3273-L3277 HydrophobicContact CG-CD1 4.21Å; L3273-L3277 WeakPolarHBondContact O-CB 3.18Å; L3273-L3277 VanDerWaalsContact O-CG 3.29Å; L3273-L3277 WeakPolarHBondContact O-CG 3.29Å; L3273-L3277 PolarHBondContact O-N 3.15Å; A3274-L3277 CarbonylContact O-C 3.54Å; A3274-L3277 PolarHBondContact O-N 3.47Å; A3275-L3277 VanDerWaalsContact C-N 3.28Å; A3275-L3277 PolarHBondContact O-N 3.15Å; L3277-M3284 HydrophobicContact CD2-CE 4.18Å; L3277-M3284 HydrophobicContact CD2-SD 3.95Å; L3277-M3284 VanDerWaalsContact O-SD 3.39Å; L3277-W3285 PolarHBondContact O-NE1 3Å; L3277-R3364 HydrophobicContact CD2-CB 4.4Å; L3277-L3368 HydrophobicContact CD1-CB 4.31Å; L3277-L3368 HydrophobicContact CD1-CD1 3.99Å; L3277-L3368 HydrophobicContact CD2-CB 4.23Å; L3277-L3384 HydrophobicContact CB-CD2 4.42Å; L3277-L3384 HydrophobicContact CD1-CD1 4.33Å
3278R90.8Very high88.3Confident28 Ų2820.1 Ų20.111%0.10610%0.102CC..Hα-helixtrans-87.5-8.2177.3-75.7-169.6-129.1177.23.4114.7A3274 A3275 E3276 R3280 Y3340 V3341 N3342 L3347 D3383 L3384A3274-R3278 WeakPolarHBondContact O-CB 3.43Å; A3274-R3278 WeakPolarHBondContact O-CG 3.31Å; A3274-R3278 PolarHBondContact O-N 3.05Å; A3274-R3278 PolarHBondContact O-NE 3.27Å; A3275-R3278 WeakPolarHBondContact O-CA 3.35Å; A3275-R3278 PolarHBondContact O-N 3.07Å; E3276-R3278 VanDerWaalsContact C-N 3.32Å; R3278-R3280 PolarHBondContact O-N 3.31Å; R3278-Y3340 HydrophobicContact CB-CD1 4.25Å; R3278-Y3340 CarbonylContact O-C 3.56Å; R3278-Y3340 WeakPolarHBondContact O-CA 3.46Å; R3278-V3341 WeakPolarHBondContact O-CB 3.08Å; R3278-V3341 WeakPolarHBondContact O-CG2 3.17Å; R3278-V3341 PolarHBondContact O-N 2.98Å; R3278-N3342 PolarHBondContact NH1-OD1 2.85Å; R3278-L3347 HydrophobicContact CG-CD1 3.89Å; R3278-L3347 HydrophobicContact CG-CD2 4.47Å; R3278-D3383 VanDerWaalsContact CZ-O 3.29Å; R3278-D3383 PolarHBondContact NE-O 2.86Å; R3278-D3383 VanDerWaalsContact NE-O 3.12Å; R3278-D3383 PolarHBondContact NH2-O 3.06Å; R3278-D3383 IonicContact NH2-OD1 3.71Å; R3278-D3383 PolarHBondContact NH2-OD1 3.35Å; R3278-L3384 HydrophobicContact CG-CD2 3.81Å
3279R85.8Confident87.8Confident28 Ų2820.5 Ų20.511%0.10611%0.105CC..BIsolated β-bridgetrans-58.3139.8-176-61.3173.663.397.15.4112A3275 E3276 D3281 G3282 T3312 Y3340A3275-R3279 WeakPolarHBondContact O-CG 3.31Å; A3275-R3279 PolarHBondContact O-N 3.22Å; E3276-R3279 WeakPolarHBondContact O-CG 3.44Å; E3276-R3279 WeakPolarHBondContact OE1-CD 3.45Å; E3276-R3279 IonicContact OE1-CZ 3.22Å; E3276-R3279 IonicContact OE1-NH1 3.67Å; E3276-R3279 PolarHBondContact OE1-NH1 3.45Å; E3276-R3279 VanDerWaalsContact OE2-CD 3.3Å; E3276-R3279 WeakPolarHBondContact OE2-CD 3.32Å; E3276-R3279 IonicContact OE2-NE 3.64Å; E3276-R3279 IonicContact OE2-NH1 2.71Å; R3279-D3281 VanDerWaalsContact C-N 3.3Å; R3279-D3281 WeakPolarHBondContact CB-OD1 3.29Å; R3279-D3281 WeakPolarHBondContact CD-OD1 3.29Å; R3279-D3281 IonicContact CZ-OD1 3.42Å; R3279-D3281 IonicContact CZ-OD2 3.21Å; R3279-D3281 VanDerWaalsContact CZ-OD2 3.29Å; R3279-D3281 VanDerWaalsContact NE-CG 3.34Å; R3279-D3281 IonicContact NE-OD1 3.31Å; R3279-D3281 PolarHBondContact NE-OD1 3.23Å; R3279-D3281 IonicContact NE-OD2 3.07Å; R3279-D3281 PolarHBondContact NE-OD2 3.16Å; R3279-D3281 VanDerWaalsContact NE-OD2 3.14Å; R3279-D3281 IonicContact NH2-OD1 3.2Å; R3279-D3281 IonicContact NH2-OD2 3.61Å; R3279-D3281 PolarHBondContact NH2-OD2 3.41Å; R3279-D3281 PolarHBondContact O-N 2.98Å; R3279-G3282 PolarHBondContact O-N 3.18Å; R3279-G3282 VanDerWaalsContact O-N 3.14Å; R3279-T3312 PolarHBondContact NH1-OG1 2.94Å; R3279-Y3340 HydrophobicContact CG-CD1 4.19Å; R3279-Y3340 HydrophobicContact CG-CE1 3.94Å
3280R84.2Confident86.2Confident49.3333 Ų49.333328 Ų2819%0.18614%0.139CC..G310 helixtrans-64-35.1177.8-95.2179.9-175.1-177.3-0.2112.3R3278 G3282 L3283 N3288 D3289 T3291 A3337 N3338 I3339 Y3340 V3341 L3588R3278-R3280 PolarHBondContact O-N 3.31Å; R3280-G3282 PolarHBondContact O-N 3.04Å; R3280-L3283 PolarHBondContact O-N 3.13Å; R3280-N3288 PolarHBondContact NH2-O 3.4Å; R3280-N3288 VanDerWaalsContact NH2-O 3.14Å; R3280-D3289 IonicContact NH2-OD1 3.7Å; R3280-D3289 PolarHBondContact NH2-OD1 2.83Å; R3280-T3291 PolarHBondContact NH1-OG1 2.83Å; R3280-A3337 PolarHBondContact NH2-O 2.74Å; R3280-N3338 VanDerWaalsContact CD-O 3.23Å; R3280-N3338 WeakPolarHBondContact CD-O 3.28Å; R3280-N3338 PolarHBondContact NE-O 2.98Å; R3280-N3338 VanDerWaalsContact NE-O 3.16Å; R3280-N3338 PolarHBondContact NH1-O 3Å; R3280-N3338 VanDerWaalsContact NH1-O 3.11Å; R3280-N3338 PolarHBondContact NH1-OD1 3.41Å; R3280-N3338 VanDerWaalsContact NH1-OD1 3.1Å; R3280-N3338 PolarHBondContact NH2-OD1 3.22Å; R3280-I3339 VanDerWaalsContact CB-O 3.26Å; R3280-I3339 WeakPolarHBondContact CB-O 3.09Å; R3280-I3339 WeakPolarHBondContact CG-O 3.47Å; R3280-I3339 PolarHBondContact N-O 3.1Å; R3280-Y3340 PolarHBondContact NE-O 3.22Å; R3280-Y3340 PolarHBondContact NH2-O 3.18Å; R3280-V3341 HydrophobicContact CB-CG2 4.35Å; R3280-V3341 HydrophobicContact CG-CG2 3.93Å; R3280-L3588 HydrophobicContact CB-CD1 4.26Å; R3280-L3588 HydrophobicContact CG-CD1 3.62Å
3281D82.6Confident84.2Confident90 Ų9032 Ų3248%0.48116%0.163SC..G310 helixtrans-68-12.3173.966.56.1000114.1R3279 L3283R3279-D3281 VanDerWaalsContact C-N 3.3Å; R3279-D3281 WeakPolarHBondContact CB-OD1 3.29Å; R3279-D3281 WeakPolarHBondContact CD-OD1 3.29Å; R3279-D3281 IonicContact CZ-OD1 3.42Å; R3279-D3281 IonicContact CZ-OD2 3.21Å; R3279-D3281 VanDerWaalsContact CZ-OD2 3.29Å; R3279-D3281 VanDerWaalsContact NE-CG 3.34Å; R3279-D3281 IonicContact NE-OD1 3.31Å; R3279-D3281 PolarHBondContact NE-OD1 3.23Å; R3279-D3281 IonicContact NE-OD2 3.07Å; R3279-D3281 PolarHBondContact NE-OD2 3.16Å; R3279-D3281 VanDerWaalsContact NE-OD2 3.14Å; R3279-D3281 IonicContact NH2-OD1 3.2Å; R3279-D3281 IonicContact NH2-OD2 3.61Å; R3279-D3281 PolarHBondContact NH2-OD2 3.41Å; R3279-D3281 PolarHBondContact O-N 2.98Å; D3281-L3283 VanDerWaalsContact C-N 3.28Å; D3281-L3283 PolarHBondContact O-N 3.12Å
3282G85.1Confident82.1Confident2.66667 Ų2.6666736.8 Ų36.83%0.02718%0.184CC..G310 helixtrans-75.4-14.4173.900000114.1R3279 R3280 M3284R3279-G3282 PolarHBondContact O-N 3.18Å; R3279-G3282 VanDerWaalsContact O-N 3.14Å; R3280-G3282 PolarHBondContact O-N 3.04Å; G3282-M3284 WeakPolarHBondContact O-CG 3.33Å; G3282-M3284 PolarHBondContact O-N 3.17Å
3283L90Very high79.7Confident34 Ų3442 Ų4218%0.17822%0.216CC..  trans50.321177.8-51.2177.9000116R3280 D3281 A3350 W3352 V3361 L3588 F3589R3280-L3283 PolarHBondContact O-N 3.13Å; D3281-L3283 VanDerWaalsContact C-N 3.28Å; D3281-L3283 PolarHBondContact O-N 3.12Å; L3283-A3350 WeakPolarHBondContact O-CB 3.31Å; L3283-W3352 HydrophobicContact CB-CZ2 3.94Å; L3283-W3352 HydrophobicContact CD1-CH2 4.22Å; L3283-W3352 HydrophobicContact CD1-CZ2 4.05Å; L3283-W3352 PolarHBondContact O-NE1 3.05Å; L3283-V3361 HydrophobicContact CB-CG2 3.97Å; L3283-L3588 HydrophobicContact CD2-CB 3.76Å; L3283-L3588 WeakPolarHBondContact CD2-O 3.29Å; L3283-F3589 HydrophobicContact CB-CD1 4.36Å; L3283-F3589 HydrophobicContact CB-CE1 4.34Å; L3283-F3589 HydrophobicContact CD2-CD1 4.34Å
3284M91.9Very high77.1Confident1 Ų147.9 Ų47.91%0.00525%0.252CS..  trans-77.1-33.5-177.3-65.1-179.873.100113.3L3277 G3282 P3349 A3350 V3361 R3364 F3365 L3368L3277-M3284 HydrophobicContact CD2-CE 4.18Å; L3277-M3284 HydrophobicContact CD2-SD 3.95Å; L3277-M3284 VanDerWaalsContact O-SD 3.39Å; G3282-M3284 WeakPolarHBondContact O-CG 3.33Å; G3282-M3284 PolarHBondContact O-N 3.17Å; M3284-P3349 CarbonylContact O-C 3.56Å; M3284-P3349 WeakPolarHBondContact O-CA 3.44Å; M3284-A3350 PolarHBondContact O-N 3.32Å; M3284-V3361 HydrophobicContact CG-CG1 4.49Å; M3284-R3364 HydrophobicContact CE-CB 3.91Å; M3284-R3364 HydrophobicContact CG-CB 3.97Å; M3284-R3364 HydrophobicContact SD-CB 3.51Å; M3284-R3364 VanDerWaalsContact SD-CB 3.58Å; M3284-R3364 WeakPolarHBondContact SD-CB 3.26Å; M3284-R3364 HydrophobicContact SD-CG 4.22Å; M3284-F3365 HydrophobicContact CB-CE2 3.87Å; M3284-F3365 HydrophobicContact CB-CZ 4.07Å; M3284-F3365 HydrophobicContact CE-CB 4.48Å; M3284-F3365 HydrophobicContact CE-CD1 3.93Å; M3284-F3365 HydrophobicContact CE-CD2 3.91Å; M3284-F3365 HydrophobicContact CE-CE1 3.97Å; M3284-F3365 HydrophobicContact CE-CE2 3.96Å; M3284-F3365 HydrophobicContact CE-CG 3.89Å; M3284-F3365 HydrophobicContact CE-CZ 3.98Å; M3284-F3365 HydrophobicContact CG-CD2 4.44Å; M3284-F3365 HydrophobicContact CG-CE2 4.18Å; M3284-F3365 WeakPolarHBondContact O-CZ 3.36Å; M3284-L3368 HydrophobicContact CE-CB 4.41Å; M3284-L3368 HydrophobicContact CE-CD2 4.02Å
3285W93.5Very high74.6Confident2 Ų256.3 Ų56.31%0.00829%0.291CS..BIsolated β-bridgetrans-118.3153.5-161.7-49.7114.2000112L3277 T3287 V3341 L3347 F3348 F3365 L3368 L3386 L3390 F3589L3277-W3285 PolarHBondContact O-NE1 3Å; W3285-T3287 VanDerWaalsContact O-CG2 3.23Å; W3285-T3287 WeakPolarHBondContact O-CG2 3.32Å; W3285-T3287 PolarHBondContact O-N 3.19Å; W3285-V3341 HydrophobicContact CB-CB 4.36Å; W3285-V3341 HydrophobicContact CB-CG1 3.97Å; W3285-V3341 HydrophobicContact CB-CG2 4.31Å; W3285-L3347 HydrophobicContact CB-CD2 4.3Å; W3285-L3347 HydrophobicContact CD2-CB 3.89Å; W3285-L3347 HydrophobicContact CD2-CD1 4.34Å; W3285-L3347 HydrophobicContact CD2-CD2 4.21Å; W3285-L3347 HydrophobicContact CD2-CG 4.37Å; W3285-L3347 HydrophobicContact CE3-CB 3.7Å; W3285-L3347 HydrophobicContact CG-CB 4.41Å; W3285-L3347 HydrophobicContact CG-CD2 3.95Å; W3285-L3347 HydrophobicContact CH2-CB 4.35Å; W3285-L3347 HydrophobicContact CZ2-CB 4.48Å; W3285-L3347 HydrophobicContact CZ2-CD1 4.12Å; W3285-L3347 HydrophobicContact CZ3-CB 3.94Å; W3285-F3348 CarbonylContact C-O 3.34Å; W3285-F3348 WeakPolarHBondContact CA-O 3.43Å; W3285-F3365 HydrophobicContact CE3-CZ 4.4Å; W3285-F3365 HydrophobicContact CH2-CE1 4.16Å; W3285-F3365 HydrophobicContact CH2-CZ 4.37Å; W3285-F3365 AromaticContact CZ3-CE1 3.97Å; W3285-F3365 HydrophobicContact CZ3-CE1 4.04Å; W3285-F3365 AromaticContact CZ3-CZ 3.99Å; W3285-F3365 HydrophobicContact CZ3-CZ 4.15Å; W3285-L3368 HydrophobicContact CH2-CD2 3.66Å; W3285-L3368 HydrophobicContact CZ2-CD2 4.1Å; W3285-L3386 HydrophobicContact CH2-CD2 4.19Å; W3285-L3390 HydrophobicContact CZ3-CD2 4.14Å; W3285-F3589 WeakPolarHBondContact O-CZ 3.22Å
3286V90.7Very high72.5Confident11.3333 Ų11.333363.3 Ų63.37%0.06932%0.323CS..  trans-56.9122.2167.8179.80000109.2F3348 P3349 I3530 Y3531V3286-F3348 HydrophobicContact CG2-CB 4.42Å; V3286-F3348 HydrophobicContact CG2-CD1 4.23Å; V3286-F3348 PolarHBondContact N-O 2.91Å; V3286-P3349 WeakPolarHBondContact CG2-O 3.48Å; V3286-I3530 HydrophobicContact CG2-CG2 4.05Å; V3286-Y3531 HydrophobicContact CG1-CD1 4.16Å; V3286-Y3531 HydrophobicContact CG1-CE1 3.51Å; V3286-Y3531 HydrophobicContact CG2-CE1 4.23Å; V3286-Y3531 VanDerWaalsContact CG2-OH 3.27Å; V3286-Y3531 WeakPolarHBondContact CG2-OH 3.47Å
3287T86.4Confident70Confident12 Ų1267.1 Ų67.17%0.07435%0.351CS..  trans-137.4151.2179.4163.20000110W3285 V3341 S3585 S3586 F3589W3285-T3287 VanDerWaalsContact O-CG2 3.23Å; W3285-T3287 WeakPolarHBondContact O-CG2 3.32Å; W3285-T3287 PolarHBondContact O-N 3.19Å; T3287-V3341 HydrophobicContact CG2-CG1 4.4Å; T3287-V3341 HydrophobicContact CG2-CG2 3.49Å; T3287-V3341 VanDerWaalsContact CG2-CG2 3.49Å; T3287-S3585 CarbonylContact O-C 3.54Å; T3287-S3585 VanDerWaalsContact O-CB 3.29Å; T3287-S3585 WeakPolarHBondContact O-CB 3.35Å; T3287-S3585 PolarHBondContact O-OG 3.01Å; T3287-S3586 WeakPolarHBondContact O-CB 3.24Å; T3287-F3589 HydrophobicContact CG2-CE2 4.18Å; T3287-F3589 HydrophobicContact CG2-CZ 4.06Å
3288N79.4Confident67.3Low71.6667 Ų71.666771.7 Ų71.738%0.38338%0.383SS..  trans-112.6144.6178.9-69.3-2.4000110.1R3280 F3290 S3585R3280-N3288 PolarHBondContact NH2-O 3.4Å; R3280-N3288 VanDerWaalsContact NH2-O 3.14Å; N3288-F3290 VanDerWaalsContact C-N 3.33Å; N3288-F3290 HydrophobicContact CB-CD2 4.41Å; N3288-F3290 PolarHBondContact O-N 3.13Å; N3288-F3290 VanDerWaalsContact O-N 3.16Å; N3288-S3585 WeakPolarHBondContact CA-O 3.25Å; N3288-S3585 WeakPolarHBondContact OD1-CB 3.4Å
3289D74.2Confident64.8Low56.3333 Ų56.333378.7 Ų78.730%0.30142%0.416SS..SBendtrans-70.3-14.3176.2-75.5-12.1000113.8R3280 T3291 M3292 S3586 K3587R3280-D3289 IonicContact NH2-OD1 3.7Å; R3280-D3289 PolarHBondContact NH2-OD1 2.83Å; D3289-T3291 PolarHBondContact O-N 3.02Å; D3289-T3291 VanDerWaalsContact O-N 3.11Å; D3289-M3292 WeakPolarHBondContact O-CG 3.49Å; D3289-S3586 WeakPolarHBondContact OD1-CA 3.42Å; D3289-S3586 VanDerWaalsContact OD1-CB 3.24Å; D3289-S3586 WeakPolarHBondContact OD1-CB 3.17Å; D3289-S3586 PolarHBondContact OD1-OG 3.44Å; D3289-K3587 PolarHBondContact OD1-N 2.96Å; D3289-K3587 WeakPolarHBondContact OD2-CB 3.43Å; D3289-K3587 WeakPolarHBondContact OD2-CD 3.25Å; D3289-K3587 WeakPolarHBondContact OD2-CE 3.19Å; D3289-K3587 VanDerWaalsContact OD2-CG 3.25Å; D3289-K3587 WeakPolarHBondContact OD2-CG 3.42Å; D3289-K3587 PolarHBondContact OD2-N 3.19Å; D3289-K3587 VanDerWaalsContact OD2-N 3.13Å; D3289-K3587 IonicContact OD2-NZ 2.78Å
3290F57.9Low62.3Low158.333 Ų158.33381.3 Ų81.369%0.69444%0.439SS*.  trans-73.475.3-174.4-65.1-73.1000113.3N3288 M3292 T3293N3288-F3290 VanDerWaalsContact C-N 3.33Å; N3288-F3290 HydrophobicContact CB-CD2 4.41Å; N3288-F3290 PolarHBondContact O-N 3.13Å; N3288-F3290 VanDerWaalsContact O-N 3.16Å; F3290-M3292 PolarHBondContact O-N 3.24Å; F3290-T3293 PolarHBondContact O-OG1 3.41Å; F3290-T3293 VanDerWaalsContact O-OG1 3.09Å
3291T50.2Low60.3Low82.6667 Ų82.666785.4 Ų85.451%0.50746%0.46SS..G310 helixtrans-61.696.1165.649.80000110.5R3280 D3289 T3293 N3338R3280-T3291 PolarHBondContact NH1-OG1 2.83Å; D3289-T3291 PolarHBondContact O-N 3.02Å; D3289-T3291 VanDerWaalsContact O-N 3.11Å; T3291-T3293 PolarHBondContact O-N 2.7Å; T3291-N3338 WeakPolarHBondContact CB-OD1 3.44Å; T3291-N3338 PolarHBondContact O-ND2 3.46Å; T3291-N3338 PolarHBondContact OG1-OD1 3.01Å; T3291-N3338 VanDerWaalsContact OG1-OD1 3.1Å
3292M44.2Very low57.9Low125.333 Ų125.33384.9 Ų84.962%0.61746%0.463SS*.G310 helixtrans-67.887178.7-64.6-74.698.100111.1D3289 F3290 T3294 N3338D3289-M3292 WeakPolarHBondContact O-CG 3.49Å; F3290-M3292 PolarHBondContact O-N 3.24Å; M3292-T3294 PolarHBondContact O-N 2.96Å; M3292-N3338 HydrophobicContact CE-CB 4.17Å
3293T37.9Very low55.8Low110.333 Ų110.33387.8 Ų87.868%0.67748%0.48SS*.  trans-75.2124.8174.1-2.70000109.1F3290 T3291 E3295 Q3296F3290-T3293 PolarHBondContact O-OG1 3.41Å; F3290-T3293 VanDerWaalsContact O-OG1 3.09Å; T3291-T3293 PolarHBondContact O-N 2.7Å; T3293-E3295 PolarHBondContact O-N 3.15Å; T3293-E3295 VanDerWaalsContact O-N 3.09Å; T3293-Q3296 PolarHBondContact O-N 3.14Å
3294T35.5Very low53.3Low124.667 Ų124.66789.7 Ų89.777%0.76549%0.49SS*.G310 helixtrans-63.219.1-165.3-40.80000115.2M3292 S3297M3292-T3294 PolarHBondContact O-N 2.96Å; T3294-S3297 WeakPolarHBondContact O-CB 3.49Å; T3294-S3297 PolarHBondContact O-OG 3.25Å
3295E39.8Very low50.7Low177.667 Ų177.66793.4 Ų93.483%0.8352%0.515SS*.G310 helixtrans-102.77179.7-62.3-169.6164.500114.7T3293T3293-E3295 PolarHBondContact O-N 3.15Å; T3293-E3295 VanDerWaalsContact O-N 3.09Å
3296Q40.4Very low48.2Very low154 Ų15494.8 Ų94.872%0.7252%0.523SS*.G310 helixtrans-110.918.5172.1-67.8-168.3-200113.9T3293 S3298 H3299 S3300T3293-Q3296 PolarHBondContact O-N 3.14Å; Q3296-S3298 VanDerWaalsContact C-N 3.25Å; Q3296-S3298 PolarHBondContact O-N 3.1Å; Q3296-H3299 PolarHBondContact O-N 3.39Å; Q3296-S3300 PolarHBondContact O-N 3.01Å
3297S37.4Very low46Very low90 Ų9096.6 Ų96.663%0.62953%0.534SS*.THydrogen-bonded Turntrans-70.820.4179.652.60000114T3294 H3299 S3300T3294-S3297 WeakPolarHBondContact O-CB 3.49Å; T3294-S3297 PolarHBondContact O-OG 3.25Å; S3297-H3299 PolarHBondContact O-N 3.27Å; S3297-S3300 PolarHBondContact O-OG 3.15Å
3298S35.2Very low43.9Very low97 Ų9796.4 Ų96.468%0.67853%0.533SS*.THydrogen-bonded Turntrans-60.63.2-179.363.60000115.4Q3296Q3296-S3298 VanDerWaalsContact C-N 3.25Å; Q3296-S3298 PolarHBondContact O-N 3.1Å
3299H37.6Very low42.1Very low175 Ų17593 Ų9381%0.8152%0.515SS*.SBendtrans-152.526.2176.3-63.9-46.3000116.7Q3296 S3297 H3301Q3296-H3299 PolarHBondContact O-N 3.39Å; S3297-H3299 PolarHBondContact O-N 3.27Å; H3299-H3301 PolarHBondContact O-N 2.82Å
3300S34.3Very low40.4Very low81.6667 Ų81.666793.2 Ų93.257%0.57152%0.521SS*.  trans-96.1140.9153.651.20000112.9Q3296 S3297 S3302Q3296-S3300 PolarHBondContact O-N 3.01Å; S3297-S3300 PolarHBondContact O-OG 3.15Å; S3300-S3302 PolarHBondContact O-N 3.16Å; S3300-S3302 VanDerWaalsContact O-N 3.11Å
3301H41.4Very low39.6Very low135 Ų13587.1 Ų87.163%0.62550%0.5SS*.  trans-31.797.6172.4-72.9-77.9000114.6H3299 V3303H3299-H3301 PolarHBondContact O-N 2.82Å; H3301-V3303 PolarHBondContact O-N 3.06Å; H3301-V3303 VanDerWaalsContact O-N 3.12Å
3302S33.5Very low39.2Very low80 Ų8084.7 Ų84.756%0.55949%0.485SS*.  trans-61.5108.7165.4178.40000109.8S3300 L3304S3300-S3302 PolarHBondContact O-N 3.16Å; S3300-S3302 VanDerWaalsContact O-N 3.11Å; S3302-L3304 PolarHBondContact O-N 3.1Å
3303V40.2Very low39Very low63 Ų6380.6 Ų80.638%0.38247%0.465SS..  trans-67133.2161.1172.60000107.6H3301 Y3340 N3342H3301-V3303 PolarHBondContact O-N 3.06Å; H3301-V3303 VanDerWaalsContact O-N 3.12Å; V3303-Y3340 HydrophobicContact CG1-CD2 3.73Å; V3303-Y3340 HydrophobicContact CG1-CE2 4.16Å; V3303-Y3340 HydrophobicContact CG1-CG 4.24Å; V3303-N3342 VanDerWaalsContact CG2-CG 3.5Å; V3303-N3342 VanDerWaalsContact CG2-ND2 3.31Å; V3303-N3342 WeakPolarHBondContact CG2-ND2 3.29Å; V3303-N3342 WeakPolarHBondContact CG2-OD1 3.47Å
3304L38.4Very low39.1Very low74.3333 Ų74.333381.3 Ų81.339%0.38946%0.461SS..  trans-60.1138.2174.6-72.9164.6000109.6S3302 T3306 T3732 R3735 A3736 Q3739S3302-L3304 PolarHBondContact O-N 3.1Å; L3304-T3306 PolarHBondContact O-N 3.03Å; L3304-T3306 PolarHBondContact O-OG1 3.28Å; L3304-T3732 HydrophobicContact CD2-CG2 4.06Å; L3304-T3732 WeakPolarHBondContact CD2-O 3.33Å; L3304-R3735 HydrophobicContact CD1-CB 3.75Å; L3304-R3735 HydrophobicContact CD2-CB 4.48Å; L3304-R3735 HydrophobicContact CG-CB 4.28Å; L3304-A3736 VanDerWaalsContact CD2-CA 3.49Å; L3304-A3736 HydrophobicContact CD2-CB 3.39Å; L3304-Q3739 HydrophobicContact CD1-CB 4.49Å
3305P36Very low39.3Very low80 Ų8079.6 Ų79.652%0.51944%0.444SS..  trans-55105.7171.9-8.813.2000109.1V3307 E3336P3305-V3307 PolarHBondContact O-N 3.15Å; P3305-E3336 VanDerWaalsContact CA-OE2 3.23Å; P3305-E3336 WeakPolarHBondContact CA-OE2 3.35Å; P3305-E3336 WeakPolarHBondContact CB-OE2 3.35Å
3306T42.3Very low39.2Very low30 Ų3077.6 Ų77.618%0.18444%0.435CS..  trans-83.2119.2177.5-55.90000105.9L3272 A3275 L3304 S3308 S3309 Y3340L3272-T3306 HydrophobicContact CD2-CG2 3.7Å; A3275-T3306 HydrophobicContact CB-CG2 3.68Å; A3275-T3306 VanDerWaalsContact CB-CG2 3.47Å; L3304-T3306 PolarHBondContact O-N 3.03Å; L3304-T3306 PolarHBondContact O-OG1 3.28Å; T3306-S3308 PolarHBondContact O-N 3.21Å; T3306-S3309 VanDerWaalsContact O-CB 3.3Å; T3306-S3309 WeakPolarHBondContact O-CB 3.26Å; T3306-S3309 PolarHBondContact O-N 3.04Å; T3306-S3309 PolarHBondContact O-OG 2.89Å; T3306-Y3340 PolarHBondContact O-OH 2.92Å
3307V44.4Very low39.1Very low49.3333 Ų49.333375.2 Ų75.230%0.29943%0.43SS..Hα-helixtrans-46.8-13-179-175.30000115.2R3202 L3203 P3305 S3309 A3311 I3804R3202-V3307 HydrophobicContact CG-CG1 4.26Å; L3203-V3307 HydrophobicContact CD1-CG1 3.67Å; L3203-V3307 HydrophobicContact CD2-CG1 4.18Å; L3203-V3307 WeakPolarHBondContact CD2-O 3.39Å; P3305-V3307 PolarHBondContact O-N 3.15Å; V3307-S3309 VanDerWaalsContact C-N 3.29Å; V3307-S3309 PolarHBondContact O-N 2.8Å; V3307-A3311 VanDerWaalsContact O-CB 3.31Å; V3307-A3311 WeakPolarHBondContact O-CB 3.31Å; V3307-A3311 PolarHBondContact O-N 3.39Å; V3307-I3804 HydrophobicContact CB-CG1 4.08Å; V3307-I3804 HydrophobicContact CG1-CB 3.51Å; V3307-I3804 HydrophobicContact CG1-CD1 3.65Å; V3307-I3804 HydrophobicContact CG1-CG1 3.26Å; V3307-I3804 HydrophobicContact CG1-CG2 3.12Å; V3307-I3804 HydrophobicContact CG2-CB 4.49Å; V3307-I3804 HydrophobicContact CG2-CG1 3.75Å
3308S42.5Very low39.1Very low7.66667 Ų7.6666777.2 Ų77.25%0.05443%0.432CS..Hα-helixtrans-73.7-23.6176.3-610000115.3L3272 E3276 T3306 A3311 T3312L3272-S3308 VanDerWaalsContact CD2-OG 3.23Å; L3272-S3308 WeakPolarHBondContact CD2-OG 3.42Å; E3276-S3308 WeakPolarHBondContact OE1-CB 3.44Å; E3276-S3308 PolarHBondContact OE1-OG 2.87Å; T3306-S3308 PolarHBondContact O-N 3.21Å; S3308-A3311 PolarHBondContact O-N 2.94Å; S3308-T3312 PolarHBondContact O-N 2.58Å; S3308-T3312 PolarHBondContact O-OG1 2.75Å
3309S40.6Very low39.3Very low1.66667 Ų1.6666776.6 Ų76.61%0.01243%0.428CS..Hα-helixtrans-72.1-79.3-177.4-30.20000110.9T3306 V3307 A3311 T3312 I3313 E3336 Y3340T3306-S3309 VanDerWaalsContact O-CB 3.3Å; T3306-S3309 WeakPolarHBondContact O-CB 3.26Å; T3306-S3309 PolarHBondContact O-N 3.04Å; T3306-S3309 PolarHBondContact O-OG 2.89Å; V3307-S3309 VanDerWaalsContact C-N 3.29Å; V3307-S3309 PolarHBondContact O-N 2.8Å; S3309-A3311 VanDerWaalsContact C-N 3.31Å; S3309-A3311 PolarHBondContact O-N 3.16Å; S3309-T3312 PolarHBondContact O-N 3.45Å; S3309-T3312 PolarHBondContact O-OG1 3.47Å; S3309-T3312 PolarHBondContact OG-OG1 3.13Å; S3309-I3313 WeakPolarHBondContact O-CB 3.2Å; S3309-I3313 WeakPolarHBondContact O-CD1 2.95Å; S3309-I3313 VanDerWaalsContact O-CG1 3.28Å; S3309-I3313 WeakPolarHBondContact O-CG1 3.35Å; S3309-I3313 PolarHBondContact O-N 3.13Å; S3309-E3336 WeakPolarHBondContact CB-OE1 3.38Å; S3309-E3336 VanDerWaalsContact CB-OE2 3.31Å; S3309-E3336 WeakPolarHBondContact CB-OE2 3.45Å; S3309-E3336 PolarHBondContact OG-OE1 2.85Å; S3309-E3336 PolarHBondContact OG-OE2 2.98Å; S3309-Y3340 PolarHBondContact OG-OH 3.37Å
3310S39.1Very low39.2Very low60.3333 Ų60.333375.2 Ų75.242%0.42243%0.427SS..Hα-helixtrans-57.6-31.9-178.7-43.40000112.5T3312 I3313 E3314 E3336S3310-T3312 VanDerWaalsContact C-N 3.27Å; S3310-T3312 PolarHBondContact O-N 2.95Å; S3310-I3313 PolarHBondContact O-N 2.86Å; S3310-I3313 VanDerWaalsContact O-N 3.11Å; S3310-E3314 PolarHBondContact O-N 3.21Å; S3310-E3314 VanDerWaalsContact O-N 3.13Å; S3310-E3336 PolarHBondContact OG-OE1 3.11Å
3311A41.4Very low39.2Very low30 Ų3076.6 Ų76.625%0.24844%0.437CS..Hα-helixtrans-66.1-25.5177.100000114.3L3203 V3307 S3308 S3309 I3313 I3339L3203-A3311 HydrophobicContact CD2-CB 3.58Å; L3203-A3311 HydrophobicContact CG-CB 3.69Å; V3307-A3311 VanDerWaalsContact O-CB 3.31Å; V3307-A3311 WeakPolarHBondContact O-CB 3.31Å; V3307-A3311 PolarHBondContact O-N 3.39Å; S3308-A3311 PolarHBondContact O-N 2.94Å; S3309-A3311 VanDerWaalsContact C-N 3.31Å; S3309-A3311 PolarHBondContact O-N 3.16Å; A3311-I3313 PolarHBondContact O-N 3.32Å; A3311-I3339 HydrophobicContact CB-CD1 3.56Å
3312T41.1Very low38.8Very low32 Ų3273.4 Ų73.420%0.19644%0.44CS..Hα-helixtrans-91.9-24.6177.8-220000113.2R3279 S3308 S3309 S3310 Q3315 E3336R3279-T3312 PolarHBondContact NH1-OG1 2.94Å; S3308-T3312 PolarHBondContact O-N 2.58Å; S3308-T3312 PolarHBondContact O-OG1 2.75Å; S3309-T3312 PolarHBondContact O-N 3.45Å; S3309-T3312 PolarHBondContact O-OG1 3.47Å; S3309-T3312 PolarHBondContact OG-OG1 3.13Å; S3310-T3312 VanDerWaalsContact C-N 3.27Å; S3310-T3312 PolarHBondContact O-N 2.95Å; T3312-Q3315 PolarHBondContact O-N 3.06Å; T3312-E3336 HydrophobicContact CG2-CG 4.02Å; T3312-E3336 WeakPolarHBondContact CG2-OE1 3.49Å
3313I40.9Very low38.9Very low38 Ų3877.9 Ų77.920%0.19545%0.453CS..Hα-helixtrans-78.6-40.9-177.3-67.2168.3000111.5L3203 L3207 S3309 S3310 A3311 Q3315 H3316 V3317 I3334 E3336 I3339L3203-I3313 HydrophobicContact CD2-CD1 4.26Å; L3207-I3313 HydrophobicContact CD1-CD1 3.34Å; L3207-I3313 HydrophobicContact CD1-CG2 4.25Å; L3207-I3313 HydrophobicContact CD2-CG2 4.06Å; S3309-I3313 WeakPolarHBondContact O-CB 3.2Å; S3309-I3313 WeakPolarHBondContact O-CD1 2.95Å; S3309-I3313 VanDerWaalsContact O-CG1 3.28Å; S3309-I3313 WeakPolarHBondContact O-CG1 3.35Å; S3309-I3313 PolarHBondContact O-N 3.13Å; S3310-I3313 PolarHBondContact O-N 2.86Å; S3310-I3313 VanDerWaalsContact O-N 3.11Å; A3311-I3313 PolarHBondContact O-N 3.32Å; I3313-Q3315 PolarHBondContact O-N 2.98Å; I3313-Q3315 VanDerWaalsContact O-N 3.11Å; I3313-H3316 PolarHBondContact O-N 2.97Å; I3313-H3316 VanDerWaalsContact O-N 3.08Å; I3313-V3317 PolarHBondContact O-N 3.38Å; I3313-I3334 HydrophobicContact CD1-CG2 4.47Å; I3313-I3334 HydrophobicContact CG2-CD1 3.73Å; I3313-E3336 HydrophobicContact CD1-CG 3.96Å; I3313-I3339 HydrophobicContact CD1-CD1 3.54Å; I3313-I3339 HydrophobicContact CG1-CD1 3.59Å; I3313-I3339 VanDerWaalsContact CG1-CD1 3.48Å
3314E38.8Very low38.5Very low126.333 Ų126.33380.9 Ų80.959%0.5947%0.473SS*.Hα-helixtrans-60.9-32.5-178.3-71.8-173.2155.700113.6S3310 H3316 V3317 I3318S3310-E3314 PolarHBondContact O-N 3.21Å; S3310-E3314 VanDerWaalsContact O-N 3.13Å; E3314-H3316 VanDerWaalsContact C-N 3.33Å; E3314-H3316 PolarHBondContact O-N 3.07Å; E3314-V3317 PolarHBondContact O-N 3.31Å; E3314-I3318 WeakPolarHBondContact O-CD1 3.27Å; E3314-I3318 WeakPolarHBondContact O-CG1 3.46Å
3315Q40Very low38.4Very low87.6667 Ų87.666783.9 Ų83.941%0.4149%0.489SS..Hα-helixtrans-73.6-24.2-179.5-66.1-166.4-57.200113.5N3230 T3312 I3313 V3317 I3334N3230-Q3315 PolarHBondContact OD1-NE2 3.11Å; N3230-Q3315 PolarHBondContact OD1-OE1 2.95Å; T3312-Q3315 PolarHBondContact O-N 3.06Å; I3313-Q3315 PolarHBondContact O-N 2.98Å; I3313-Q3315 VanDerWaalsContact O-N 3.11Å; Q3315-V3317 VanDerWaalsContact C-N 3.32Å; Q3315-V3317 PolarHBondContact O-N 2.87Å; Q3315-I3334 HydrophobicContact CB-CD1 3.84Å; Q3315-I3334 HydrophobicContact CG-CD1 4.37Å
3316H37.9Very low38.3Very low137.333 Ų137.33385.2 Ų85.264%0.63650%0.501SS*.Hα-helixtrans-82.4-14.7-179.3-114.7-68.3000114.1I3313 E3314 S3319I3313-H3316 PolarHBondContact O-N 2.97Å; I3313-H3316 VanDerWaalsContact O-N 3.08Å; E3314-H3316 VanDerWaalsContact C-N 3.33Å; E3314-H3316 PolarHBondContact O-N 3.07Å; H3316-S3319 PolarHBondContact O-OG 3.49Å
3317V38.3Very low38Very low103 Ų10391.1 Ų91.162%0.62453%0.528SS*.Hα-helixtrans-88.2-28.2-179.3179.70000111.9I3313 E3314 Q3315 S3319 I3334I3313-V3317 PolarHBondContact O-N 3.38Å; E3314-V3317 PolarHBondContact O-N 3.31Å; Q3315-V3317 VanDerWaalsContact C-N 3.32Å; Q3315-V3317 PolarHBondContact O-N 2.87Å; V3317-S3319 PolarHBondContact O-N 2.87Å; V3317-I3334 HydrophobicContact CG2-CD1 4.49Å
3318I38.1Very low37.4Very low131 Ų13196.4 Ų96.467%0.67256%0.555SS**Hα-helixtrans-80.1-24.9-172.1-63.7171.7000112.8E3314 N3320 S3321E3314-I3318 WeakPolarHBondContact O-CD1 3.27Å; E3314-I3318 WeakPolarHBondContact O-CG1 3.46Å; I3318-N3320 VanDerWaalsContact C-N 3.33Å; I3318-N3320 PolarHBondContact O-N 3.3Å; I3318-S3321 PolarHBondContact O-OG 3.48Å
3319S38.4Very low37Very low85 Ų85103 Ų10359%0.59459%0.589SS**THydrogen-bonded Turntrans-79.2-9.1-173.749.80000115.8H3316 V3317H3316-S3319 PolarHBondContact O-OG 3.49Å; V3317-S3319 PolarHBondContact O-N 2.87Å
3320N35.9Very low36.9Very low145.667 Ų145.667111.5 Ų111.578%0.77963%0.629SS**THydrogen-bonded Turntrans-104.432.3-177.2-83.1-27.5000114.3I3318 G3322I3318-N3320 VanDerWaalsContact C-N 3.33Å; I3318-N3320 PolarHBondContact O-N 3.3Å; N3320-G3322 VanDerWaalsContact C-N 3.32Å; N3320-G3322 PolarHBondContact O-N 3.12Å
3321S34.1Very low36.9Very low111.667 Ų111.667116.3 Ų116.378%0.78165%0.648SS**  trans-91.266.6-179.760.40000113.8I3318I3318-S3321 PolarHBondContact O-OG 3.48Å
3322G33.5Very low36.7Very low68.3333 Ų68.3333121.4 Ų121.470%0.70467%0.671SS**  trans-118.9115.7174.200000113.1N3320N3320-G3322 VanDerWaalsContact C-N 3.32Å; N3320-G3322 PolarHBondContact O-N 3.12Å
3323Q34.2Very low36.8Very low174 Ų174127.4 Ų127.481%0.81370%0.702SS**  trans-1126.3-175.4-66.6-170.4-38.800116.9N3325Q3323-N3325 PolarHBondContact O-N 3Å
3324P32.5Very low37.2Very low125.667 Ų125.667130.4 Ų130.482%0.81672%0.717SS**  trans-81.3117.4173.832.3-30.6000110.7
3325N35.7Very low37.9Very low136.667 Ų136.667129.3 Ų129.373%0.73172%0.716SS**  trans-145.4109.8168-85.4-46.4000111.4Q3323Q3323-N3325 PolarHBondContact O-N 3Å
3326S35.1Very low38.5Very low108.667 Ų108.667127.8 Ų127.876%0.7671%0.709SS**SBendtrans60.5117.6156.3640000120.4
3327M34.9Very low39.4Very low153.667 Ų153.667123.5 Ų123.576%0.75770%0.697SS**  trans101.5116.9147.5-75.4-74.3107.500114.5N3329M3327-N3329 PolarHBondContact O-N 3.25Å; M3327-N3329 VanDerWaalsContact O-N 3.14Å
3328D32.5Very low40.7Very low159.333 Ų159.333120.8 Ų120.885%0.85268%0.679SS**  trans-21.684.8152.3-55.3-32.8000113.2
3329N34.6Very low42.4Very low146 Ų146116.3 Ų116.378%0.78166%0.656SS**  trans-107.8136.4164.3-74.8-13.6000109M3327 I3331M3327-N3329 PolarHBondContact O-N 3.25Å; M3327-N3329 VanDerWaalsContact O-N 3.14Å; N3329-I3331 PolarHBondContact O-N 3.45Å
3330E37Very low44.5Very low181.667 Ų181.667112.9 Ų112.985%0.84963%0.63SS**  trans-59.2142.6172.5-68.9168.4131.700110D3332E3330-D3332 VanDerWaalsContact C-N 3.27Å; E3330-D3332 PolarHBondContact O-N 3.01Å; E3330-D3332 VanDerWaalsContact O-N 3.12Å
3331I39.2Very low46.7Very low160 Ų160106.2 Ų106.282%0.82160%0.595SS**  trans-77.297.4174-60.9172.3000105.9N3329 D3333N3329-I3331 PolarHBondContact O-N 3.45Å; I3331-D3333 PolarHBondContact O-N 3.02Å; I3331-D3333 VanDerWaalsContact O-N 3.14Å
3332D38.4Very low48.8Very low138.333 Ų138.333104 Ų10474%0.7458%0.575SS**  trans-51.3126.1175.1-75.7-40.3000110.3E3330 I3334E3330-D3332 VanDerWaalsContact C-N 3.27Å; E3330-D3332 PolarHBondContact O-N 3.01Å; E3330-D3332 VanDerWaalsContact O-N 3.12Å; D3332-I3334 VanDerWaalsContact C-N 3.29Å; D3332-I3334 PolarHBondContact O-N 3.12Å; D3332-I3334 VanDerWaalsContact O-N 3.13Å
3333D43.8Very low51Low158.333 Ų158.333102.7 Ų102.785%0.84755%0.553SS**  trans-59.3106.2173.8-81.5-46.3000108.9I3331 D3335I3331-D3333 PolarHBondContact O-N 3.02Å; I3331-D3333 VanDerWaalsContact O-N 3.14Å; D3333-D3335 PolarHBondContact O-N 2.99Å; D3333-D3335 VanDerWaalsContact O-N 3.14Å
3334I47.6Very low53Low99.6667 Ų99.666799.4 Ų99.451%0.51155%0.547SS..  trans-66.1110171.7-63.5168.1000107I3313 Q3315 V3317 D3332 E3336I3313-I3334 HydrophobicContact CD1-CG2 4.47Å; I3313-I3334 HydrophobicContact CG2-CD1 3.73Å; Q3315-I3334 HydrophobicContact CB-CD1 3.84Å; Q3315-I3334 HydrophobicContact CG-CD1 4.37Å; V3317-I3334 HydrophobicContact CG2-CD1 4.49Å; D3332-I3334 VanDerWaalsContact C-N 3.29Å; D3332-I3334 PolarHBondContact O-N 3.12Å; D3332-I3334 VanDerWaalsContact O-N 3.13Å; I3334-E3336 VanDerWaalsContact C-N 3.29Å; I3334-E3336 PolarHBondContact O-N 3.05Å
3335D54.8Low55.3Low103 Ų10399.7 Ų99.755%0.55153%0.532SS*.  trans-50.991.1177.6-89.3-33000111.5D3333 A3337 N3338D3333-D3335 PolarHBondContact O-N 2.99Å; D3333-D3335 VanDerWaalsContact O-N 3.14Å; D3335-A3337 PolarHBondContact O-N 3.09Å; D3335-A3337 VanDerWaalsContact O-N 3.12Å; D3335-N3338 HydrophobicContact CB-CB 4.16Å; D3335-N3338 WeakPolarHBondContact CB-ND2 3.19Å; D3335-N3338 WeakPolarHBondContact O-CA 3.19Å; D3335-N3338 WeakPolarHBondContact O-CB 3.33Å; D3335-N3338 PolarHBondContact O-N 3.13Å; D3335-N3338 PolarHBondContact OD2-ND2 3.16Å
3336E52.5Low57.8Low56 Ų5693.7 Ų93.726%0.26250%0.503SS..G310 helixtrans-58-27.8176.2-68-166.1175.900111.3P3305 S3309 S3310 T3312 I3313 I3334 N3338 I3339 Y3340P3305-E3336 VanDerWaalsContact CA-OE2 3.23Å; P3305-E3336 WeakPolarHBondContact CA-OE2 3.35Å; P3305-E3336 WeakPolarHBondContact CB-OE2 3.35Å; S3309-E3336 WeakPolarHBondContact CB-OE1 3.38Å; S3309-E3336 VanDerWaalsContact CB-OE2 3.31Å; S3309-E3336 WeakPolarHBondContact CB-OE2 3.45Å; S3309-E3336 PolarHBondContact OG-OE1 2.85Å; S3309-E3336 PolarHBondContact OG-OE2 2.98Å; S3310-E3336 PolarHBondContact OG-OE1 3.11Å; T3312-E3336 HydrophobicContact CG2-CG 4.02Å; T3312-E3336 WeakPolarHBondContact CG2-OE1 3.49Å; I3313-E3336 HydrophobicContact CD1-CG 3.96Å; I3334-E3336 VanDerWaalsContact C-N 3.29Å; I3334-E3336 PolarHBondContact O-N 3.05Å; E3336-N3338 PolarHBondContact O-N 3.25Å; E3336-N3338 VanDerWaalsContact O-N 3.15Å; E3336-I3339 WeakPolarHBondContact O-CB 3.44Å; E3336-I3339 PolarHBondContact O-N 3.28Å; E3336-I3339 VanDerWaalsContact O-N 3.15Å; E3336-Y3340 WeakPolarHBondContact O-CD2 3.38Å
3337A56.1Low60.6Low48 Ų4888.6 Ų88.640%0.39747%0.468SS..G310 helixtrans-57.9-25.117300000113.5R3280 D3335R3280-A3337 PolarHBondContact NH2-O 2.74Å; D3335-A3337 PolarHBondContact O-N 3.09Å; D3335-A3337 VanDerWaalsContact O-N 3.12Å
3338N65.1Low63.4Low45.6667 Ų45.666782 Ų8224%0.24444%0.435CS..G310 helixtrans-83.3-7.7179-82.9-41.4000114.7R3280 T3291 M3292 D3335 E3336R3280-N3338 VanDerWaalsContact CD-O 3.23Å; R3280-N3338 WeakPolarHBondContact CD-O 3.28Å; R3280-N3338 PolarHBondContact NE-O 2.98Å; R3280-N3338 VanDerWaalsContact NE-O 3.16Å; R3280-N3338 PolarHBondContact NH1-O 3Å; R3280-N3338 VanDerWaalsContact NH1-O 3.11Å; R3280-N3338 PolarHBondContact NH1-OD1 3.41Å; R3280-N3338 VanDerWaalsContact NH1-OD1 3.1Å; R3280-N3338 PolarHBondContact NH2-OD1 3.22Å; T3291-N3338 WeakPolarHBondContact CB-OD1 3.44Å; T3291-N3338 PolarHBondContact O-ND2 3.46Å; T3291-N3338 PolarHBondContact OG1-OD1 3.01Å; T3291-N3338 VanDerWaalsContact OG1-OD1 3.1Å; M3292-N3338 HydrophobicContact CE-CB 4.17Å; D3335-N3338 HydrophobicContact CB-CB 4.16Å; D3335-N3338 WeakPolarHBondContact CB-ND2 3.19Å; D3335-N3338 WeakPolarHBondContact O-CA 3.19Å; D3335-N3338 WeakPolarHBondContact O-CB 3.33Å; D3335-N3338 PolarHBondContact O-N 3.13Å; D3335-N3338 PolarHBondContact OD2-ND2 3.16Å; E3336-N3338 PolarHBondContact O-N 3.25Å; E3336-N3338 VanDerWaalsContact O-N 3.15Å
3339I74.5Confident66.3Low37.3333 Ų37.333375 Ų7519%0.19140%0.398CS..THydrogen-bonded Turntrans-82.3-30.3176.4-60.9171.5000111.3R3280 A3311 I3313 E3336R3280-I3339 VanDerWaalsContact CB-O 3.26Å; R3280-I3339 WeakPolarHBondContact CB-O 3.09Å; R3280-I3339 WeakPolarHBondContact CG-O 3.47Å; R3280-I3339 PolarHBondContact N-O 3.1Å; A3311-I3339 HydrophobicContact CB-CD1 3.56Å; I3313-I3339 HydrophobicContact CD1-CD1 3.54Å; I3313-I3339 HydrophobicContact CG1-CD1 3.59Å; I3313-I3339 VanDerWaalsContact CG1-CD1 3.48Å; E3336-I3339 WeakPolarHBondContact O-CB 3.44Å; E3336-I3339 PolarHBondContact O-N 3.28Å; E3336-I3339 VanDerWaalsContact O-N 3.15Å
3340Y81.8Confident69.1Low12.3333 Ų12.333368.3 Ų68.35%0.04836%0.362CS..BIsolated β-bridgetrans-105.1151.2-174.8-56.8-74.4000111.9A3275 R3278 R3279 R3280 V3303 T3306 S3309 E3336 N3342A3275-Y3340 HydrophobicContact CB-CD1 4.47Å; A3275-Y3340 HydrophobicContact CB-CE1 3.87Å; A3275-Y3340 WeakPolarHBondContact O-CD1 3.31Å; A3275-Y3340 VanDerWaalsContact O-CE1 3.28Å; A3275-Y3340 WeakPolarHBondContact O-CE1 3.43Å; R3278-Y3340 HydrophobicContact CB-CD1 4.25Å; R3278-Y3340 CarbonylContact O-C 3.56Å; R3278-Y3340 WeakPolarHBondContact O-CA 3.46Å; R3279-Y3340 HydrophobicContact CG-CD1 4.19Å; R3279-Y3340 HydrophobicContact CG-CE1 3.94Å; R3280-Y3340 PolarHBondContact NE-O 3.22Å; R3280-Y3340 PolarHBondContact NH2-O 3.18Å; V3303-Y3340 HydrophobicContact CG1-CD2 3.73Å; V3303-Y3340 HydrophobicContact CG1-CE2 4.16Å; V3303-Y3340 HydrophobicContact CG1-CG 4.24Å; T3306-Y3340 PolarHBondContact O-OH 2.92Å; S3309-Y3340 PolarHBondContact OG-OH 3.37Å; E3336-Y3340 WeakPolarHBondContact O-CD2 3.38Å; Y3340-N3342 PolarHBondContact O-N 2.94Å
3341V84Confident71.7Confident5.66667 Ų5.6666760.6 Ų60.63%0.03433%0.328CS..  trans-80.2111.5169.6-176.50000108.2R3278 R3280 W3285 T3287 T3343 L3347R3278-V3341 WeakPolarHBondContact O-CB 3.08Å; R3278-V3341 WeakPolarHBondContact O-CG2 3.17Å; R3278-V3341 PolarHBondContact O-N 2.98Å; R3280-V3341 HydrophobicContact CB-CG2 4.35Å; R3280-V3341 HydrophobicContact CG-CG2 3.93Å; W3285-V3341 HydrophobicContact CB-CB 4.36Å; W3285-V3341 HydrophobicContact CB-CG1 3.97Å; W3285-V3341 HydrophobicContact CB-CG2 4.31Å; T3287-V3341 HydrophobicContact CG2-CG1 4.4Å; T3287-V3341 HydrophobicContact CG2-CG2 3.49Å; T3287-V3341 VanDerWaalsContact CG2-CG2 3.49Å; V3341-T3343 HydrophobicContact CG1-CG2 4.16Å; V3341-L3347 HydrophobicContact CB-CD2 4.17Å; V3341-L3347 HydrophobicContact CG1-CD2 3.84Å
3342N77.2Confident74.1Confident66.6667 Ų66.666754 Ų5436%0.35729%0.293SS..  trans-123.2101.5173.9-67.4-46.4000108.4R3278 V3303 Y3340R3278-N3342 PolarHBondContact NH1-OD1 2.85Å; V3303-N3342 VanDerWaalsContact CG2-CG 3.5Å; V3303-N3342 VanDerWaalsContact CG2-ND2 3.31Å; V3303-N3342 WeakPolarHBondContact CG2-ND2 3.29Å; V3303-N3342 WeakPolarHBondContact CG2-OD1 3.47Å; Y3340-N3342 PolarHBondContact O-N 2.94Å
3343T79.1Confident76.3Confident40 Ų4047.6 Ų47.625%0.24526%0.259CS..  trans-105.4133177.343.80000109.5V3341 Y3345 G3346V3341-T3343 HydrophobicContact CG1-CG2 4.16Å; T3343-Y3345 PolarHBondContact O-N 3.24Å; T3343-G3346 PolarHBondContact O-N 3.17Å; T3343-G3346 VanDerWaalsContact O-N 3.16Å; T3343-G3346 PolarHBondContact OG1-O 3.15Å
3344P76.1Confident78Confident105.667 Ų105.66741.2 Ų41.269%0.68623%0.23SC*.THydrogen-bonded Turntrans-64.5-23.5-177.825-33.5000112.9
3345Y82.3Confident79.5Confident130 Ų13040.9 Ų40.951%0.5123%0.23SC..THydrogen-bonded Turntrans-95.79.2179.1-50.6-62.6000113.7T3343 S3387 I3529 P3532T3343-Y3345 PolarHBondContact O-N 3.24Å; Y3345-S3387 WeakPolarHBondContact O-CA 3.43Å; Y3345-S3387 VanDerWaalsContact O-CB 3.28Å; Y3345-S3387 WeakPolarHBondContact O-CB 3.35Å; Y3345-I3529 VanDerWaalsContact CB-O 3.26Å; Y3345-I3529 WeakPolarHBondContact CB-O 3.34Å; Y3345-I3529 WeakPolarHBondContact CD2-O 3.44Å; Y3345-I3529 HydrophobicContact CG-CG2 4.46Å; Y3345-I3529 VanDerWaalsContact CG-O 3.32Å; Y3345-P3532 HydrophobicContact CD2-CG 4.34Å; Y3345-P3532 HydrophobicContact CE2-CB 4.4Å; Y3345-P3532 HydrophobicContact CE2-CG 3.88Å
3346G87.7Confident80.8Confident12.6667 Ų12.666740.2 Ų40.213%0.13122%0.223CC..  trans81.3170.4-177.200000114.4T3343 P3385T3343-G3346 PolarHBondContact O-N 3.17Å; T3343-G3346 VanDerWaalsContact O-N 3.16Å; T3343-G3346 PolarHBondContact OG1-O 3.15Å; G3346-P3385 CarbonylContact C-O 3.57Å; G3346-P3385 WeakPolarHBondContact CA-O 3.43Å
3347L92.6Very high82.5Confident1 Ų138.6 Ų38.61%0.00522%0.217CC..BIsolated β-bridgetrans-78.4128-174.5-60171.6000110.8R3278 W3285 V3341 L3384 P3385 L3386 S3387R3278-L3347 HydrophobicContact CG-CD1 3.89Å; R3278-L3347 HydrophobicContact CG-CD2 4.47Å; W3285-L3347 HydrophobicContact CB-CD2 4.3Å; W3285-L3347 HydrophobicContact CD2-CB 3.89Å; W3285-L3347 HydrophobicContact CD2-CD1 4.34Å; W3285-L3347 HydrophobicContact CD2-CD2 4.21Å; W3285-L3347 HydrophobicContact CD2-CG 4.37Å; W3285-L3347 HydrophobicContact CE3-CB 3.7Å; W3285-L3347 HydrophobicContact CG-CB 4.41Å; W3285-L3347 HydrophobicContact CG-CD2 3.95Å; W3285-L3347 HydrophobicContact CH2-CB 4.35Å; W3285-L3347 HydrophobicContact CZ2-CB 4.48Å; W3285-L3347 HydrophobicContact CZ2-CD1 4.12Å; W3285-L3347 HydrophobicContact CZ3-CB 3.94Å; V3341-L3347 HydrophobicContact CB-CD2 4.17Å; V3341-L3347 HydrophobicContact CG1-CD2 3.84Å; L3347-L3384 HydrophobicContact CD1-CD2 4.08Å; L3347-P3385 VanDerWaalsContact CD1-CD 3.46Å; L3347-P3385 HydrophobicContact CD1-CG 4.43Å; L3347-P3385 HydrophobicContact CG-CG 4.38Å; L3347-P3385 WeakPolarHBondContact CG-O 3.37Å; L3347-P3385 PolarHBondContact N-O 3.21Å; L3347-L3386 HydrophobicContact CB-CD2 4.42Å; L3347-S3387 VanDerWaalsContact O-CB 3.29Å; L3347-S3387 WeakPolarHBondContact O-CB 3.37Å; L3347-S3387 PolarHBondContact O-N 3.03Å; L3347-S3387 PolarHBondContact O-OG 3.39Å
3348F94.5Very high84.1Confident15.6667 Ų15.666738.1 Ų38.17%0.06921%0.21CC..  trans-127.3143.8171.6-169.5-96.3000109.3W3285 V3286 A3350 S3387 P3389 L3390 L3393 L3522 I3530 L3653 I3657W3285-F3348 CarbonylContact C-O 3.34Å; W3285-F3348 WeakPolarHBondContact CA-O 3.43Å; V3286-F3348 HydrophobicContact CG2-CB 4.42Å; V3286-F3348 HydrophobicContact CG2-CD1 4.23Å; V3286-F3348 PolarHBondContact N-O 2.91Å; F3348-A3350 PolarHBondContact O-N 3.42Å; F3348-S3387 WeakPolarHBondContact CB-OG 3Å; F3348-S3387 WeakPolarHBondContact CD2-OG 3.45Å; F3348-P3389 HydrophobicContact CD2-CB 4.11Å; F3348-P3389 HydrophobicContact CE2-CB 3.94Å; F3348-L3390 HydrophobicContact CD2-CB 4.05Å; F3348-L3390 HydrophobicContact CE2-CB 4.42Å; F3348-L3393 HydrophobicContact CE2-CD1 4.4Å; F3348-L3522 HydrophobicContact CE2-CD1 3.82Å; F3348-L3522 HydrophobicContact CZ-CD1 3.88Å; F3348-I3530 HydrophobicContact CB-CG1 4.15Å; F3348-I3530 HydrophobicContact CB-CG2 3.99Å; F3348-I3530 HydrophobicContact CD1-CD1 3.75Å; F3348-I3530 HydrophobicContact CD1-CG1 4.15Å; F3348-I3530 HydrophobicContact CD1-CG2 3.74Å; F3348-I3530 HydrophobicContact CD2-CD1 3.67Å; F3348-I3530 HydrophobicContact CD2-CG1 4.04Å; F3348-I3530 HydrophobicContact CE1-CD1 3.73Å; F3348-I3530 HydrophobicContact CE1-CG2 4.48Å; F3348-I3530 HydrophobicContact CE2-CD1 3.65Å; F3348-I3530 HydrophobicContact CE2-CG1 4.48Å; F3348-I3530 HydrophobicContact CG-CD1 3.72Å; F3348-I3530 HydrophobicContact CG-CG1 3.84Å; F3348-I3530 HydrophobicContact CG-CG2 3.99Å; F3348-I3530 HydrophobicContact CZ-CD1 3.66Å; F3348-L3653 HydrophobicContact CZ-CD2 4.44Å; F3348-I3657 HydrophobicContact CE1-CD1 4.13Å; F3348-I3657 HydrophobicContact CE1-CG2 4.28Å; F3348-I3657 HydrophobicContact CE2-CD1 4.5Å; F3348-I3657 HydrophobicContact CZ-CD1 3.63Å
3349P94.5Very high85.2Confident11.6667 Ų11.666741.9 Ų41.98%0.07623%0.226CC..BIsolated β-bridgetrans-59.1139.4-178.1-24.635.6000112.6M3284 V3286 F3365 L3390 I3657 L3661M3284-P3349 CarbonylContact O-C 3.56Å; M3284-P3349 WeakPolarHBondContact O-CA 3.44Å; V3286-P3349 WeakPolarHBondContact CG2-O 3.48Å; P3349-F3365 HydrophobicContact CB-CE1 4.2Å; P3349-F3365 HydrophobicContact CB-CZ 3.77Å; P3349-F3365 HydrophobicContact CG-CE1 4.08Å; P3349-F3365 HydrophobicContact CG-CZ 4.02Å; P3349-L3390 HydrophobicContact CG-CD1 4.1Å; P3349-I3657 HydrophobicContact CB-CB 4.29Å; P3349-I3657 HydrophobicContact CB-CG2 3.97Å; P3349-L3661 HydrophobicContact CG-CD2 4.38Å
3350A92.7Very high85.8Confident4.66667 Ų4.6666743.6 Ų43.64%0.03924%0.242CC..PPolyproline II helixtrans-65.5132.917200000110.3L3283 M3284 F3348 W3352 F3589 Q3660L3283-A3350 WeakPolarHBondContact O-CB 3.31Å; M3284-A3350 PolarHBondContact O-N 3.32Å; F3348-A3350 PolarHBondContact O-N 3.42Å; A3350-W3352 VanDerWaalsContact O-CD1 3.23Å; A3350-W3352 PolarHBondContact O-N 3.05Å; A3350-F3589 HydrophobicContact CB-CD1 4.31Å; A3350-F3589 HydrophobicContact CB-CE1 3.34Å; A3350-F3589 HydrophobicContact CB-CZ 3.5Å; A3350-F3589 VanDerWaalsContact CB-CZ 3.45Å; A3350-Q3660 PolarHBondContact O-NE2 3.45Å
3351P91Very high86.3Confident20 Ų2043.1 Ų43.113%0.1324%0.24CC..PPolyproline II helixtrans-74.9122.2174.530.5-34.1000110.4Y3531 F3582 F3651 G3656 I3657P3351-Y3531 WeakPolarHBondContact CD-OH 3.36Å; P3351-Y3531 VanDerWaalsContact CG-OH 3.3Å; P3351-Y3531 WeakPolarHBondContact CG-OH 3.1Å; P3351-F3582 HydrophobicContact CB-CZ 4.35Å; P3351-F3582 HydrophobicContact CG-CE1 3.93Å; P3351-F3582 HydrophobicContact CG-CE2 4.12Å; P3351-F3582 HydrophobicContact CG-CZ 3.44Å; P3351-F3582 VanDerWaalsContact CG-CZ 3.49Å; P3351-F3651 HydrophobicContact CB-CD1 4.22Å; P3351-F3651 HydrophobicContact CB-CE1 3.98Å; P3351-G3656 CarbonylContact C-O 3.53Å; P3351-G3656 WeakPolarHBondContact CA-O 3.49Å; P3351-I3657 HydrophobicContact CB-CG2 4.46Å
3352W89.3Confident86.7Confident22 Ų2245 Ų458%0.08325%0.249CC..  trans-119.4147.4178-77.294.1000110.5L3283 A3350 G3354 V3357 P3358 V3361 F3589 F3591 G3656L3283-W3352 HydrophobicContact CB-CZ2 3.94Å; L3283-W3352 HydrophobicContact CD1-CH2 4.22Å; L3283-W3352 HydrophobicContact CD1-CZ2 4.05Å; L3283-W3352 PolarHBondContact O-NE1 3.05Å; A3350-W3352 VanDerWaalsContact O-CD1 3.23Å; A3350-W3352 PolarHBondContact O-N 3.05Å; W3352-G3354 PolarHBondContact O-N 3.27Å; W3352-V3357 HydrophobicContact CB-CB 4.3Å; W3352-V3357 HydrophobicContact CB-CG1 4.22Å; W3352-V3357 HydrophobicContact CB-CG2 3.78Å; W3352-V3357 HydrophobicContact CD2-CG1 4.47Å; W3352-V3357 HydrophobicContact CG-CG1 4.13Å; W3352-V3357 HydrophobicContact CG-CG2 4.43Å; W3352-P3358 HydrophobicContact CE3-CG 4.45Å; W3352-P3358 VanDerWaalsContact CH2-CD 3.47Å; W3352-P3358 HydrophobicContact CH2-CG 3.51Å; W3352-P3358 VanDerWaalsContact CH2-CG 3.45Å; W3352-P3358 VanDerWaalsContact CZ2-CD 3.47Å; W3352-P3358 HydrophobicContact CZ2-CG 3.72Å; W3352-P3358 HydrophobicContact CZ3-CG 3.98Å; W3352-V3361 HydrophobicContact CZ2-CG2 4.44Å; W3352-F3589 AromaticContact CE2-CD1 3.82Å; W3352-F3589 HydrophobicContact CH2-CB 4.15Å; W3352-F3589 AromaticContact CH2-CD1 3.99Å; W3352-F3589 HydrophobicContact CH2-CD1 4.19Å; W3352-F3589 VanDerWaalsContact CH2-O 3.27Å; W3352-F3589 WeakPolarHBondContact CH2-O 3.46Å; W3352-F3589 HydrophobicContact CZ2-CB 4.35Å; W3352-F3589 AromaticContact CZ2-CD1 3.55Å; W3352-F3589 HydrophobicContact CZ2-CD1 3.55Å; W3352-F3589 VanDerWaalsContact CZ2-CD1 3.44Å; W3352-F3589 HydrophobicContact CZ2-CE1 4.18Å; W3352-F3589 HydrophobicContact CZ2-CG 4.43Å; W3352-F3589 HydrophobicContact CZ3-CB 4.49Å; W3352-F3589 WeakPolarHBondContact CZ3-O 3.37Å; W3352-F3591 HydrophobicContact CD2-CE1 4.4Å; W3352-F3591 HydrophobicContact CE3-CD1 4.3Å; W3352-F3591 AromaticContact CE3-CE1 3.71Å; W3352-F3591 HydrophobicContact CE3-CE1 3.71Å; W3352-F3591 AromaticContact CZ3-CD1 4Å; W3352-F3591 HydrophobicContact CZ3-CD1 4.06Å; W3352-F3591 AromaticContact CZ3-CE1 3.84Å; W3352-F3591 HydrophobicContact CZ3-CE1 3.84Å; W3352-G3656 PolarHBondContact N-O 2.94Å; W3352-G3656 CarbonylContact O-C 3.07Å; W3352-G3656 VanDerWaalsContact O-CA 3.24Å; W3352-G3656 WeakPolarHBondContact O-CA 3.21Å
3353P85.4Confident87.4Confident3 Ų344.5 Ų44.52%0.01924%0.243CC..  trans-59.9133.6163-18.832.6000109.7D3355 Q3356 V3357 F3591 Y3594 W3602 F3651P3353-D3355 WeakPolarHBondContact CB-OD1 3.49Å; P3353-D3355 PolarHBondContact O-N 3.3Å; P3353-D3355 VanDerWaalsContact O-N 3.11Å; P3353-Q3356 HydrophobicContact CB-CB 4.08Å; P3353-Q3356 HydrophobicContact CB-CG 4.31Å; P3353-Q3356 HydrophobicContact CG-CB 4.3Å; P3353-Q3356 PolarHBondContact O-N 3.35Å; P3353-V3357 VanDerWaalsContact O-CG2 3.23Å; P3353-V3357 WeakPolarHBondContact O-CG2 3.33Å; P3353-V3357 PolarHBondContact O-N 3.17Å; P3353-V3357 VanDerWaalsContact O-N 3.08Å; P3353-F3591 HydrophobicContact CG-CZ 4.45Å; P3353-Y3594 HydrophobicContact CB-CD1 4.29Å; P3353-Y3594 HydrophobicContact CB-CD2 3.87Å; P3353-Y3594 HydrophobicContact CB-CE1 4.02Å; P3353-Y3594 HydrophobicContact CB-CE2 3.58Å; P3353-Y3594 HydrophobicContact CB-CG 4.23Å; P3353-Y3594 HydrophobicContact CG-CD1 3.95Å; P3353-Y3594 HydrophobicContact CG-CD2 3.37Å; P3353-Y3594 VanDerWaalsContact CG-CD2 3.41Å; P3353-Y3594 HydrophobicContact CG-CE1 4.19Å; P3353-Y3594 HydrophobicContact CG-CE2 3.67Å; P3353-Y3594 HydrophobicContact CG-CG 3.55Å; P3353-W3602 HydrophobicContact CB-CH2 3.8Å; P3353-W3602 HydrophobicContact CB-CZ3 4.23Å; P3353-F3651 HydrophobicContact CG-CZ 4.41Å
3354G78.2Confident88.2Confident24 Ų2443.9 Ų43.925%0.24724%0.236CC..THydrogen-bonded Turntrans-60.4-28.2-173.800000113.8W3352 Q3356 K3659W3352-G3354 PolarHBondContact O-N 3.27Å; G3354-Q3356 VanDerWaalsContact C-N 3.31Å; G3354-Q3356 PolarHBondContact O-N 2.94Å; G3354-K3659 WeakPolarHBondContact O-CD 3.34Å; G3354-K3659 WeakPolarHBondContact O-CE 3.44Å; G3354-K3659 PolarHBondContact O-NZ 3.38Å
3355D79.4Confident89.1Confident93 Ų9340 Ų4050%0.49721%0.208SC..THydrogen-bonded Turntrans-78.6-14.6174.430.9-34000114.2P3353 W3602P3353-D3355 WeakPolarHBondContact CB-OD1 3.49Å; P3353-D3355 PolarHBondContact O-N 3.3Å; P3353-D3355 VanDerWaalsContact O-N 3.11Å; D3355-W3602 HydrophobicContact CB-CE3 3.85Å; D3355-W3602 HydrophobicContact CB-CZ3 4.06Å; D3355-W3602 WeakPolarHBondContact OD1-CZ3 3.5Å
3356Q83.7Confident89.7Confident89 Ų8936.9 Ų36.942%0.41620%0.198SC..THydrogen-bonded Turntrans-121.46.3-170.4-62.9176.612.700114.3P3353 G3354 P3358P3353-Q3356 HydrophobicContact CB-CB 4.08Å; P3353-Q3356 HydrophobicContact CB-CG 4.31Å; P3353-Q3356 HydrophobicContact CG-CB 4.3Å; P3353-Q3356 PolarHBondContact O-N 3.35Å; G3354-Q3356 VanDerWaalsContact C-N 3.31Å; G3354-Q3356 PolarHBondContact O-N 2.94Å; Q3356-P3358 VanDerWaalsContact O-CD 3.3Å; Q3356-P3358 WeakPolarHBondContact O-CD 3.38Å
3357V87.5Confident90.1Very high22.6667 Ų22.666736.3 Ų36.314%0.13719%0.191CC..  trans-64122.3175.4-1590000109.7W3352 P3353 E3359 V3361 L3362 K3659 Q3660W3352-V3357 HydrophobicContact CB-CB 4.3Å; W3352-V3357 HydrophobicContact CB-CG1 4.22Å; W3352-V3357 HydrophobicContact CB-CG2 3.78Å; W3352-V3357 HydrophobicContact CD2-CG1 4.47Å; W3352-V3357 HydrophobicContact CG-CG1 4.13Å; W3352-V3357 HydrophobicContact CG-CG2 4.43Å; P3353-V3357 VanDerWaalsContact O-CG2 3.23Å; P3353-V3357 WeakPolarHBondContact O-CG2 3.33Å; P3353-V3357 PolarHBondContact O-N 3.17Å; P3353-V3357 VanDerWaalsContact O-N 3.08Å; V3357-E3359 PolarHBondContact O-N 2.94Å; V3357-V3361 HydrophobicContact CG1-CB 4.39Å; V3357-V3361 HydrophobicContact CG1-CG1 4.36Å; V3357-L3362 HydrophobicContact CB-CD1 4.49Å; V3357-L3362 HydrophobicContact CB-CD2 4.36Å; V3357-L3362 HydrophobicContact CB-CG 4.37Å; V3357-L3362 HydrophobicContact CG1-CD2 3.73Å; V3357-L3362 HydrophobicContact CG1-CG 3.98Å; V3357-K3659 HydrophobicContact CG2-CB 4.36Å; V3357-K3659 HydrophobicContact CG2-CD 4.15Å; V3357-Q3660 HydrophobicContact CG1-CG 4.39Å
3358P89Confident90.2Very high37.6667 Ų37.666736.6 Ų36.625%0.24519%0.193CC..  trans-64.5136.7177.3-20.131.8000111W3352 Q3356 S3360 V3361 L3362W3352-P3358 HydrophobicContact CE3-CG 4.45Å; W3352-P3358 VanDerWaalsContact CH2-CD 3.47Å; W3352-P3358 HydrophobicContact CH2-CG 3.51Å; W3352-P3358 VanDerWaalsContact CH2-CG 3.45Å; W3352-P3358 VanDerWaalsContact CZ2-CD 3.47Å; W3352-P3358 HydrophobicContact CZ2-CG 3.72Å; W3352-P3358 HydrophobicContact CZ3-CG 3.98Å; Q3356-P3358 VanDerWaalsContact O-CD 3.3Å; Q3356-P3358 WeakPolarHBondContact O-CD 3.38Å; P3358-S3360 PolarHBondContact O-N 3.31Å; P3358-S3360 VanDerWaalsContact O-N 3.14Å; P3358-V3361 HydrophobicContact CB-CB 4.45Å; P3358-V3361 HydrophobicContact CB-CG2 4.01Å; P3358-V3361 HydrophobicContact CG-CG2 4.01Å; P3358-V3361 WeakPolarHBondContact O-CA 3.44Å; P3358-V3361 WeakPolarHBondContact O-CB 3.34Å; P3358-V3361 PolarHBondContact O-N 3.16Å; P3358-L3362 PolarHBondContact O-N 3.02Å
3359E88.3Confident90.3Very high125.667 Ų125.66736.5 Ų36.559%0.58720%0.196SC*.Hα-helixtrans-59-32.4179.5-167-177.4161.800112.1C2656 V3357 V3361 L3362 Y3363C2656-E3359 WeakPolarHBondContact CB-OE1 3.3Å; C2656-E3359 PolarHBondContact SG-OE1 3.13Å; V3357-E3359 PolarHBondContact O-N 2.94Å; E3359-V3361 VanDerWaalsContact C-N 3.29Å; E3359-V3361 PolarHBondContact O-N 2.98Å; E3359-L3362 PolarHBondContact O-N 3.07Å; E3359-Y3363 WeakPolarHBondContact O-CB 3.16Å; E3359-Y3363 PolarHBondContact O-N 3.02Å
3360S88Confident90.3Very high73 Ų7336.4 Ų36.451%0.5120%0.195SC..Hα-helixtrans-61.4-32.917356.90000113.4P3358 R3364P3358-S3360 PolarHBondContact O-N 3.31Å; P3358-S3360 VanDerWaalsContact O-N 3.14Å; S3360-R3364 WeakPolarHBondContact O-CB 3.29Å; S3360-R3364 WeakPolarHBondContact O-CD 3.39Å; S3360-R3364 WeakPolarHBondContact O-CG 3.35Å; S3360-R3364 PolarHBondContact O-N 3.2Å; S3360-R3364 VanDerWaalsContact O-N 3.09Å
3361V91.5Very high90.4Very high1 Ų136.1 Ų36.11%0.00619%0.193CC..Hα-helixtrans-71.5-45.8174.5176.40000109.8L3283 M3284 W3352 V3357 P3358 E3359 Y3363 R3364 F3365 Q3660L3283-V3361 HydrophobicContact CB-CG2 3.97Å; M3284-V3361 HydrophobicContact CG-CG1 4.49Å; W3352-V3361 HydrophobicContact CZ2-CG2 4.44Å; V3357-V3361 HydrophobicContact CG1-CB 4.39Å; V3357-V3361 HydrophobicContact CG1-CG1 4.36Å; P3358-V3361 HydrophobicContact CB-CB 4.45Å; P3358-V3361 HydrophobicContact CB-CG2 4.01Å; P3358-V3361 HydrophobicContact CG-CG2 4.01Å; P3358-V3361 WeakPolarHBondContact O-CA 3.44Å; P3358-V3361 WeakPolarHBondContact O-CB 3.34Å; P3358-V3361 PolarHBondContact O-N 3.16Å; E3359-V3361 VanDerWaalsContact C-N 3.29Å; E3359-V3361 PolarHBondContact O-N 2.98Å; V3361-Y3363 PolarHBondContact O-N 2.7Å; V3361-R3364 WeakPolarHBondContact O-CB 3.31Å; V3361-R3364 PolarHBondContact O-N 3.18Å; V3361-F3365 HydrophobicContact CG1-CD2 3.91Å; V3361-F3365 HydrophobicContact CG1-CE2 3.9Å; V3361-F3365 VanDerWaalsContact O-CD2 3.3Å; V3361-F3365 WeakPolarHBondContact O-CD2 3.3Å; V3361-F3365 PolarHBondContact O-N 3.37Å; V3361-Q3660 HydrophobicContact CG1-CG 4.38Å
3362L92.9Very high90.6Very high45.3333 Ų45.333336 Ų3624%0.23719%0.192CC..Hα-helixtrans-61-45.2176.6-62.1-178.3000111.6V3357 P3358 E3359 R3364 F3365 F3366 K3659 Q3660 A3663V3357-L3362 HydrophobicContact CB-CD1 4.49Å; V3357-L3362 HydrophobicContact CB-CD2 4.36Å; V3357-L3362 HydrophobicContact CB-CG 4.37Å; V3357-L3362 HydrophobicContact CG1-CD2 3.73Å; V3357-L3362 HydrophobicContact CG1-CG 3.98Å; P3358-L3362 PolarHBondContact O-N 3.02Å; E3359-L3362 PolarHBondContact O-N 3.07Å; L3362-R3364 VanDerWaalsContact C-N 3.32Å; L3362-R3364 PolarHBondContact O-N 2.75Å; L3362-F3365 PolarHBondContact O-N 3.15Å; L3362-F3365 VanDerWaalsContact O-N 3.15Å; L3362-F3366 WeakPolarHBondContact O-CB 3.4Å; L3362-F3366 PolarHBondContact O-N 3.18Å; L3362-K3659 HydrophobicContact CD2-CB 3.77Å; L3362-Q3660 HydrophobicContact CD2-CG 4.43Å; L3362-A3663 HydrophobicContact CB-CB 4.31Å; L3362-A3663 HydrophobicContact CD2-CB 4.39Å; L3362-A3663 WeakPolarHBondContact O-CB 3.39Å
3363Y92.6Very high90.8Very high56.6667 Ų56.666735.8 Ų35.822%0.22220%0.195CC..Hα-helixtrans-61.1-40.6175.6-176.2-109000111.9H2654 W3234 S3238 E3242 E3359 V3361 F3365 F3366 I3367H2654-Y3363 AromaticContact CE1-CE1 3.99Å; H2654-Y3363 AromaticContact CE1-CZ 3.85Å; W3234-Y3363 HydrophobicContact CZ2-CD1 4.26Å; W3234-Y3363 AromaticContact CZ2-CE1 3.94Å; W3234-Y3363 HydrophobicContact CZ2-CE1 4.2Å; S3238-Y3363 VanDerWaalsContact CB-OH 3.31Å; S3238-Y3363 WeakPolarHBondContact CB-OH 3.1Å; S3238-Y3363 PolarHBondContact OG-OH 3.13Å; E3242-Y3363 WeakPolarHBondContact OE1-CE2 3.11Å; E3242-Y3363 VanDerWaalsContact OE1-CZ 3.28Å; E3242-Y3363 PolarHBondContact OE1-OH 2.95Å; E3242-Y3363 PolarHBondContact OE2-OH 3.05Å; E3359-Y3363 WeakPolarHBondContact O-CB 3.16Å; E3359-Y3363 PolarHBondContact O-N 3.02Å; V3361-Y3363 PolarHBondContact O-N 2.7Å; Y3363-F3365 VanDerWaalsContact C-N 3.33Å; Y3363-F3365 PolarHBondContact O-N 3Å; Y3363-F3366 HydrophobicContact CD2-CD1 4.27Å; Y3363-F3366 HydrophobicContact CE2-CD1 4.34Å; Y3363-F3366 WeakPolarHBondContact O-CB 3.23Å; Y3363-F3366 PolarHBondContact O-N 3.04Å; Y3363-I3367 HydrophobicContact CD1-CG1 4.27Å; Y3363-I3367 HydrophobicContact CD2-CG1 4.47Å; Y3363-I3367 HydrophobicContact CE1-CD1 4.42Å; Y3363-I3367 HydrophobicContact CE1-CG1 3.92Å; Y3363-I3367 HydrophobicContact CE2-CD1 4.16Å; Y3363-I3367 HydrophobicContact CE2-CG1 4.17Å; Y3363-I3367 WeakPolarHBondContact O-CB 3.47Å; Y3363-I3367 VanDerWaalsContact O-CG1 3.31Å; Y3363-I3367 WeakPolarHBondContact O-CG1 3.4Å; Y3363-I3367 PolarHBondContact O-N 3.26Å
3364R94.2Very high91.2Very high27.6667 Ų27.666735.8 Ų35.810%0.10420%0.195CC..Hα-helixtrans-62.5-40.5173.5-75.2168.3175.3-82.16.8112.5W3234 E3276 L3277 M3284 S3360 V3361 L3362 F3366 I3367 L3368W3234-R3364 HydrophobicContact CH2-CB 4.21Å; W3234-R3364 HydrophobicContact CH2-CG 3.73Å; W3234-R3364 HydrophobicContact CZ2-CB 4.27Å; W3234-R3364 HydrophobicContact CZ2-CG 3.44Å; W3234-R3364 VanDerWaalsContact CZ2-CG 3.47Å; E3276-R3364 PolarHBondContact O-NH1 3.24Å; E3276-R3364 VanDerWaalsContact O-NH1 3.16Å; L3277-R3364 HydrophobicContact CD2-CB 4.4Å; M3284-R3364 HydrophobicContact CE-CB 3.91Å; M3284-R3364 HydrophobicContact CG-CB 3.97Å; M3284-R3364 HydrophobicContact SD-CB 3.51Å; M3284-R3364 VanDerWaalsContact SD-CB 3.58Å; M3284-R3364 WeakPolarHBondContact SD-CB 3.26Å; M3284-R3364 HydrophobicContact SD-CG 4.22Å; S3360-R3364 WeakPolarHBondContact O-CB 3.29Å; S3360-R3364 WeakPolarHBondContact O-CD 3.39Å; S3360-R3364 WeakPolarHBondContact O-CG 3.35Å; S3360-R3364 PolarHBondContact O-N 3.2Å; S3360-R3364 VanDerWaalsContact O-N 3.09Å; V3361-R3364 WeakPolarHBondContact O-CB 3.31Å; V3361-R3364 PolarHBondContact O-N 3.18Å; L3362-R3364 VanDerWaalsContact C-N 3.32Å; L3362-R3364 PolarHBondContact O-N 2.75Å; R3364-F3366 VanDerWaalsContact C-N 3.34Å; R3364-I3367 PolarHBondContact O-N 2.97Å; R3364-L3368 VanDerWaalsContact O-CB 3.3Å; R3364-L3368 WeakPolarHBondContact O-CB 3.32Å; R3364-L3368 PolarHBondContact O-N 3.26Å
3365F95.4Very high91.8Very high22.6667 Ų22.666734.7 Ų34.710%0.09918%0.183CC..Hα-helixtrans-66.3-37.9174.1-87.7-74.2000112.9M3284 W3285 P3349 V3361 L3362 Y3363 L3368 G3369 Q3660 A3663 F3664M3284-F3365 HydrophobicContact CB-CE2 3.87Å; M3284-F3365 HydrophobicContact CB-CZ 4.07Å; M3284-F3365 HydrophobicContact CE-CB 4.48Å; M3284-F3365 HydrophobicContact CE-CD1 3.93Å; M3284-F3365 HydrophobicContact CE-CD2 3.91Å; M3284-F3365 HydrophobicContact CE-CE1 3.97Å; M3284-F3365 HydrophobicContact CE-CE2 3.96Å; M3284-F3365 HydrophobicContact CE-CG 3.89Å; M3284-F3365 HydrophobicContact CE-CZ 3.98Å; M3284-F3365 HydrophobicContact CG-CD2 4.44Å; M3284-F3365 HydrophobicContact CG-CE2 4.18Å; M3284-F3365 WeakPolarHBondContact O-CZ 3.36Å; W3285-F3365 HydrophobicContact CE3-CZ 4.4Å; W3285-F3365 HydrophobicContact CH2-CE1 4.16Å; W3285-F3365 HydrophobicContact CH2-CZ 4.37Å; W3285-F3365 AromaticContact CZ3-CE1 3.97Å; W3285-F3365 HydrophobicContact CZ3-CE1 4.04Å; W3285-F3365 AromaticContact CZ3-CZ 3.99Å; W3285-F3365 HydrophobicContact CZ3-CZ 4.15Å; P3349-F3365 HydrophobicContact CB-CE1 4.2Å; P3349-F3365 HydrophobicContact CB-CZ 3.77Å; P3349-F3365 HydrophobicContact CG-CE1 4.08Å; P3349-F3365 HydrophobicContact CG-CZ 4.02Å; V3361-F3365 HydrophobicContact CG1-CD2 3.91Å; V3361-F3365 HydrophobicContact CG1-CE2 3.9Å; V3361-F3365 VanDerWaalsContact O-CD2 3.3Å; V3361-F3365 WeakPolarHBondContact O-CD2 3.3Å; V3361-F3365 PolarHBondContact O-N 3.37Å; L3362-F3365 PolarHBondContact O-N 3.15Å; L3362-F3365 VanDerWaalsContact O-N 3.15Å; Y3363-F3365 VanDerWaalsContact C-N 3.33Å; Y3363-F3365 PolarHBondContact O-N 3Å; F3365-L3368 HydrophobicContact CD1-CD2 3.96Å; F3365-L3368 HydrophobicContact CE1-CD2 4.15Å; F3365-L3368 WeakPolarHBondContact O-CB 3.3Å; F3365-L3368 PolarHBondContact O-N 3.05Å; F3365-G3369 PolarHBondContact O-N 3.04Å; F3365-Q3660 WeakPolarHBondContact CB-O 3.29Å; F3365-Q3660 HydrophobicContact CD1-CB 4.23Å; F3365-Q3660 HydrophobicContact CD2-CB 3.62Å; F3365-Q3660 HydrophobicContact CD2-CG 3.8Å; F3365-Q3660 HydrophobicContact CE1-CB 4.34Å; F3365-Q3660 HydrophobicContact CE2-CB 3.73Å; F3365-Q3660 HydrophobicContact CE2-CG 3.72Å; F3365-Q3660 HydrophobicContact CG-CB 3.9Å; F3365-Q3660 HydrophobicContact CZ-CB 4.1Å; F3365-Q3660 HydrophobicContact CZ-CG 4.43Å; F3365-A3663 HydrophobicContact CB-CB 4.17Å; F3365-F3664 HydrophobicContact CB-CB 4.48Å; F3365-F3664 HydrophobicContact CD1-CB 4.36Å; F3365-F3664 WeakPolarHBondContact O-CA 3.3Å
3366F95.1Very high92.4Very high65.6667 Ų65.666732.1 Ų32.129%0.28817%0.169SC..Hα-helixtrans-62.1-48.4173.4174.6-102.3000112.3E3242 L3362 Y3363 R3364 L3368 G3369 I3370 A3663 D3666 G3667 R3670E3242-F3366 HydrophobicContact CG-CE1 4.32Å; L3362-F3366 WeakPolarHBondContact O-CB 3.4Å; L3362-F3366 PolarHBondContact O-N 3.18Å; Y3363-F3366 HydrophobicContact CD2-CD1 4.27Å; Y3363-F3366 HydrophobicContact CE2-CD1 4.34Å; Y3363-F3366 WeakPolarHBondContact O-CB 3.23Å; Y3363-F3366 PolarHBondContact O-N 3.04Å; R3364-F3366 VanDerWaalsContact C-N 3.34Å; F3366-L3368 VanDerWaalsContact C-N 3.33Å; F3366-L3368 PolarHBondContact O-N 3.36Å; F3366-G3369 PolarHBondContact O-N 3.35Å; F3366-G3369 VanDerWaalsContact O-N 3.15Å; F3366-I3370 HydrophobicContact CD1-CD1 4.05Å; F3366-I3370 HydrophobicContact CE1-CD1 3.61Å; F3366-I3370 HydrophobicContact CE2-CD1 4.39Å; F3366-I3370 HydrophobicContact CZ-CD1 3.88Å; F3366-I3370 PolarHBondContact O-N 3.02Å; F3366-I3370 VanDerWaalsContact O-N 3.1Å; F3366-A3663 VanDerWaalsContact CA-O 3.26Å; F3366-A3663 WeakPolarHBondContact CA-O 3.48Å; F3366-A3663 HydrophobicContact CB-CB 4.38Å; F3366-D3666 HydrophobicContact CD2-CB 4.29Å; F3366-D3666 HydrophobicContact CE2-CB 4.36Å; F3366-G3667 VanDerWaalsContact CD2-CA 3.4Å; F3366-G3667 VanDerWaalsContact CD2-N 3.31Å; F3366-G3667 WeakPolarHBondContact O-CA 3.34Å; F3366-R3670 VanDerWaalsContact CZ-CD 3.49Å
3367I95.7Very high92.7Very high0 Ų028.6 Ų28.60%015%0.153CC..Hα-helixtrans-63.3-38.7174.8-64.8-61.4000111.4W3234 S3238 M3241 E3242 Y3363 R3364 G3369 I3370 T3371W3234-I3367 HydrophobicContact CH2-CB 3.96Å; W3234-I3367 HydrophobicContact CH2-CG1 4.36Å; W3234-I3367 HydrophobicContact CH2-CG2 3.78Å; W3234-I3367 HydrophobicContact CZ2-CG1 4.44Å; W3234-I3367 HydrophobicContact CZ3-CG2 4.17Å; S3238-I3367 WeakPolarHBondContact O-CD1 3.34Å; M3241-I3367 HydrophobicContact CB-CG2 4.37Å; M3241-I3367 HydrophobicContact CG-CG2 4.49Å; E3242-I3367 HydrophobicContact CB-CD1 4.25Å; E3242-I3367 HydrophobicContact CG-CD1 3.8Å; Y3363-I3367 HydrophobicContact CD1-CG1 4.27Å; Y3363-I3367 HydrophobicContact CD2-CG1 4.47Å; Y3363-I3367 HydrophobicContact CE1-CD1 4.42Å; Y3363-I3367 HydrophobicContact CE1-CG1 3.92Å; Y3363-I3367 HydrophobicContact CE2-CD1 4.16Å; Y3363-I3367 HydrophobicContact CE2-CG1 4.17Å; Y3363-I3367 WeakPolarHBondContact O-CB 3.47Å; Y3363-I3367 VanDerWaalsContact O-CG1 3.31Å; Y3363-I3367 WeakPolarHBondContact O-CG1 3.4Å; Y3363-I3367 PolarHBondContact O-N 3.26Å; R3364-I3367 PolarHBondContact O-N 2.97Å; I3367-G3369 VanDerWaalsContact C-N 3.34Å; I3367-G3369 PolarHBondContact O-N 3.15Å; I3367-I3370 HydrophobicContact CD1-CD1 4.28Å; I3367-I3370 PolarHBondContact O-N 2.96Å; I3367-T3371 VanDerWaalsContact O-CB 3.29Å; I3367-T3371 WeakPolarHBondContact O-CB 3.28Å; I3367-T3371 PolarHBondContact O-N 3.24Å; I3367-T3371 PolarHBondContact O-OG1 3.07Å
3368L96Very high92.8Very high7 Ų728.3 Ų28.34%0.03715%0.15CC..Hα-helixtrans-58.1-45.6172.617066.9000111.3L3277 M3284 W3285 R3364 F3365 F3366 I3370 T3371 V3372 L3384 F3664L3277-L3368 HydrophobicContact CD1-CB 4.31Å; L3277-L3368 HydrophobicContact CD1-CD1 3.99Å; L3277-L3368 HydrophobicContact CD2-CB 4.23Å; M3284-L3368 HydrophobicContact CE-CB 4.41Å; M3284-L3368 HydrophobicContact CE-CD2 4.02Å; W3285-L3368 HydrophobicContact CH2-CD2 3.66Å; W3285-L3368 HydrophobicContact CZ2-CD2 4.1Å; R3364-L3368 VanDerWaalsContact O-CB 3.3Å; R3364-L3368 WeakPolarHBondContact O-CB 3.32Å; R3364-L3368 PolarHBondContact O-N 3.26Å; F3365-L3368 HydrophobicContact CD1-CD2 3.96Å; F3365-L3368 HydrophobicContact CE1-CD2 4.15Å; F3365-L3368 WeakPolarHBondContact O-CB 3.3Å; F3365-L3368 PolarHBondContact O-N 3.05Å; F3366-L3368 VanDerWaalsContact C-N 3.33Å; F3366-L3368 PolarHBondContact O-N 3.36Å; L3368-I3370 PolarHBondContact O-N 3.45Å; L3368-T3371 PolarHBondContact O-N 3.05Å; L3368-T3371 VanDerWaalsContact O-N 3.15Å; L3368-V3372 HydrophobicContact CD1-CG2 3.88Å; L3368-V3372 HydrophobicContact CG-CG2 4.48Å; L3368-V3372 WeakPolarHBondContact O-CG2 3.3Å; L3368-V3372 PolarHBondContact O-N 3.21Å; L3368-L3384 HydrophobicContact CD1-CD1 3.39Å; L3368-L3384 VanDerWaalsContact CD1-CD1 3.42Å; L3368-F3664 HydrophobicContact CB-CD2 4.41Å; L3368-F3664 HydrophobicContact CD2-CD2 3.95Å; L3368-F3664 HydrophobicContact CD2-CE2 4.19Å; L3368-F3664 HydrophobicContact CG-CD2 3.88Å; L3368-F3664 HydrophobicContact CG-CE2 3.89Å
3369G94.8Very high92.7Very high14 Ų1433.2 Ų33.214%0.14418%0.175CC..Hα-helixtrans-57.4-49.4176.300000112.7F3365 F3366 I3367 T3371 A3373 F3664 F3668F3365-G3369 PolarHBondContact O-N 3.04Å; F3366-G3369 PolarHBondContact O-N 3.35Å; F3366-G3369 VanDerWaalsContact O-N 3.15Å; I3367-G3369 VanDerWaalsContact C-N 3.34Å; I3367-G3369 PolarHBondContact O-N 3.15Å; G3369-T3371 VanDerWaalsContact C-N 3.31Å; G3369-T3371 PolarHBondContact O-N 2.8Å; G3369-A3373 WeakPolarHBondContact O-CB 3.38Å; G3369-A3373 PolarHBondContact O-N 3.12Å; G3369-A3373 VanDerWaalsContact O-N 3.07Å; G3369-F3664 WeakPolarHBondContact CA-O 3.33Å; G3369-F3668 WeakPolarHBondContact O-CA 2.99Å
3370I95.4Very high92.7Very high9 Ų927.9 Ų27.95%0.04615%0.149CC..Hα-helixtrans-58.8-44.8174.6-64.8170.1000110.8M3241 A3245 F3366 I3367 L3368 A3373 K3374 G3667 V3671M3241-I3370 HydrophobicContact CB-CG2 3.97Å; M3241-I3370 HydrophobicContact CE-CG2 4.06Å; M3241-I3370 WeakPolarHBondContact O-CG2 3.15Å; A3245-I3370 HydrophobicContact CB-CD1 4.16Å; A3245-I3370 HydrophobicContact CB-CG1 4.29Å; A3245-I3370 HydrophobicContact CB-CG2 3.8Å; F3366-I3370 HydrophobicContact CD1-CD1 4.05Å; F3366-I3370 HydrophobicContact CE1-CD1 3.61Å; F3366-I3370 HydrophobicContact CE2-CD1 4.39Å; F3366-I3370 HydrophobicContact CZ-CD1 3.88Å; F3366-I3370 PolarHBondContact O-N 3.02Å; F3366-I3370 VanDerWaalsContact O-N 3.1Å; I3367-I3370 HydrophobicContact CD1-CD1 4.28Å; I3367-I3370 PolarHBondContact O-N 2.96Å; L3368-I3370 PolarHBondContact O-N 3.45Å; I3370-A3373 PolarHBondContact O-N 3.05Å; I3370-K3374 HydrophobicContact CG2-CG 4.26Å; I3370-K3374 WeakPolarHBondContact O-CB 3.38Å; I3370-K3374 WeakPolarHBondContact O-CG 3.32Å; I3370-K3374 PolarHBondContact O-N 3.21Å; I3370-G3667 WeakPolarHBondContact CG1-O 3.27Å; I3370-V3671 HydrophobicContact CG2-CG2 4Å
3371T95.3Very high92.5Very high0 Ų027.7 Ų27.70%014%0.138CC..Hα-helixtrans-65.2-47-175.7-56.60000111.5M3241 Y3270 L3273 I3367 L3368 G3369 A3373 K3374 C3375 I3382M3241-T3371 HydrophobicContact CE-CG2 4.5Å; M3241-T3371 HydrophobicContact SD-CG2 4.26Å; Y3270-T3371 HydrophobicContact CD1-CG2 3.93Å; Y3270-T3371 HydrophobicContact CE1-CG2 4.11Å; L3273-T3371 HydrophobicContact CD2-CG2 3.64Å; L3273-T3371 WeakPolarHBondContact CD2-OG1 3.44Å; L3273-T3371 HydrophobicContact CG-CG2 4.31Å; I3367-T3371 VanDerWaalsContact O-CB 3.29Å; I3367-T3371 WeakPolarHBondContact O-CB 3.28Å; I3367-T3371 PolarHBondContact O-N 3.24Å; I3367-T3371 PolarHBondContact O-OG1 3.07Å; L3368-T3371 PolarHBondContact O-N 3.05Å; L3368-T3371 VanDerWaalsContact O-N 3.15Å; G3369-T3371 VanDerWaalsContact C-N 3.31Å; G3369-T3371 PolarHBondContact O-N 2.8Å; T3371-A3373 VanDerWaalsContact C-N 3.33Å; T3371-A3373 PolarHBondContact O-N 3.3Å; T3371-K3374 PolarHBondContact O-N 3.01Å; T3371-C3375 WeakPolarHBondContact O-CB 3.44Å; T3371-C3375 PolarHBondContact O-N 3.16Å; T3371-C3375 PolarHBondContact O-SG 3.07Å; T3371-I3382 HydrophobicContact CG2-CD1 3.47Å; T3371-I3382 VanDerWaalsContact CG2-CD1 3.44Å
3372V94.4Very high92.3Very high16 Ų1628.3 Ų28.310%0.09714%0.14CC..Hα-helixtrans-61.8-45.7176173.90000110.4L3368 K3374 C3375 L3376 F3664 F3668 I3689L3368-V3372 HydrophobicContact CD1-CG2 3.88Å; L3368-V3372 HydrophobicContact CG-CG2 4.48Å; L3368-V3372 WeakPolarHBondContact O-CG2 3.3Å; L3368-V3372 PolarHBondContact O-N 3.21Å; V3372-K3374 VanDerWaalsContact C-N 3.32Å; V3372-K3374 PolarHBondContact O-N 3.06Å; V3372-C3375 WeakPolarHBondContact O-CB 3.47Å; V3372-C3375 PolarHBondContact O-N 2.93Å; V3372-L3376 HydrophobicContact CG1-CD1 4.2Å; V3372-L3376 HydrophobicContact CG1-CG 4.5Å; V3372-L3376 WeakPolarHBondContact O-CG 3.33Å; V3372-L3376 PolarHBondContact O-N 3.27Å; V3372-F3664 HydrophobicContact CB-CZ 4.48Å; V3372-F3664 HydrophobicContact CG2-CE2 4.28Å; V3372-F3668 HydrophobicContact CG1-CE2 4.08Å; V3372-I3689 HydrophobicContact CG1-CD1 3.82Å; V3372-I3689 HydrophobicContact CG1-CG1 4.05Å; V3372-I3689 HydrophobicContact CG1-CG2 4.48Å
3373A93.5Very high91.9Very high19 Ų1928.2 Ų28.216%0.15714%0.14CC..Hα-helixtrans-62.1-39.4177.700000112.6G3369 I3370 T3371 L3376 Q3377 F3668 V3671 L3672G3369-A3373 WeakPolarHBondContact O-CB 3.38Å; G3369-A3373 PolarHBondContact O-N 3.12Å; G3369-A3373 VanDerWaalsContact O-N 3.07Å; I3370-A3373 PolarHBondContact O-N 3.05Å; T3371-A3373 VanDerWaalsContact C-N 3.33Å; T3371-A3373 PolarHBondContact O-N 3.3Å; A3373-L3376 PolarHBondContact O-N 3.32Å; A3373-Q3377 VanDerWaalsContact O-CB 3.31Å; A3373-Q3377 WeakPolarHBondContact O-CB 3.41Å; A3373-Q3377 PolarHBondContact O-N 2.72Å; A3373-F3668 HydrophobicContact CB-CD1 4.18Å; A3373-F3668 HydrophobicContact CB-CD2 3.68Å; A3373-F3668 HydrophobicContact CB-CE1 4.25Å; A3373-F3668 HydrophobicContact CB-CE2 3.77Å; A3373-F3668 HydrophobicContact CB-CG 3.88Å; A3373-F3668 HydrophobicContact CB-CZ 4.05Å; A3373-V3671 HydrophobicContact CB-CB 3.58Å; A3373-V3671 HydrophobicContact CB-CG1 3.98Å; A3373-V3671 HydrophobicContact CB-CG2 3.91Å; A3373-L3672 HydrophobicContact CB-CD2 4.04Å; A3373-L3672 HydrophobicContact CB-CG 4.35Å; A3373-L3672 WeakPolarHBondContact O-CD2 3.29Å
3374K93.1Very high91.7Very high2.66667 Ų2.6666725.9 Ų25.91%0.01213%0.131CC..Hα-helixtrans-67.7-41.2175.2-105-45.8-174.2168.10112.6M3241 H3244 A3245 R3247 S3249 I3370 T3371 V3372 L3376 Q3377 D3378 V3671M3241-K3374 HydrophobicContact CE-CB 3.74Å; M3241-K3374 HydrophobicContact CE-CG 3.72Å; H3244-K3374 PolarHBondContact CE1-NZ 2.83Å; H3244-K3374 VanDerWaalsContact CE1-NZ 3.35Å; H3244-K3374 WeakPolarHBondContact ND1-CE 3.49Å; H3244-K3374 PolarHBondContact ND1-NZ 3.14Å; H3244-K3374 VanDerWaalsContact O-CE 3.25Å; H3244-K3374 WeakPolarHBondContact O-CE 3.25Å; H3244-K3374 PolarHBondContact O-NZ 2.88Å; A3245-K3374 VanDerWaalsContact O-CE 3.27Å; A3245-K3374 WeakPolarHBondContact O-CE 3.35Å; A3245-K3374 PolarHBondContact O-NZ 3.13Å; R3247-K3374 PolarHBondContact O-NZ 3.27Å; S3249-K3374 PolarHBondContact O-NZ 3.28Å; I3370-K3374 HydrophobicContact CG2-CG 4.26Å; I3370-K3374 WeakPolarHBondContact O-CB 3.38Å; I3370-K3374 WeakPolarHBondContact O-CG 3.32Å; I3370-K3374 PolarHBondContact O-N 3.21Å; T3371-K3374 PolarHBondContact O-N 3.01Å; V3372-K3374 VanDerWaalsContact C-N 3.32Å; V3372-K3374 PolarHBondContact O-N 3.06Å; K3374-L3376 VanDerWaalsContact C-N 3.33Å; K3374-L3376 PolarHBondContact O-N 2.89Å; K3374-Q3377 PolarHBondContact O-N 2.94Å; K3374-D3378 WeakPolarHBondContact CE-OD2 3.48Å; K3374-D3378 WeakPolarHBondContact O-CB 3.35Å; K3374-D3378 PolarHBondContact O-N 3.01Å; K3374-V3671 HydrophobicContact CD-CG1 4.07Å; K3374-V3671 HydrophobicContact CD-CG2 4.43Å; K3374-V3671 HydrophobicContact CG-CG1 4.26Å; K3374-V3671 HydrophobicContact CG-CG2 4.03Å
3375C92.1Very high91.4Very high1.33333 Ų1.3333326.7 Ų26.71%0.00914%0.14CC..Hα-helixtrans-58.9-48.1173.9-710000111Y3270 T3371 V3372 Q3377 D3378 N3379 R3380 I3382Y3270-C3375 VanDerWaalsContact CD1-SG 3.52Å; Y3270-C3375 WeakPolarHBondContact CD1-SG 3.39Å; Y3270-C3375 WeakPolarHBondContact CE1-SG 3.29Å; T3371-C3375 WeakPolarHBondContact O-CB 3.44Å; T3371-C3375 PolarHBondContact O-N 3.16Å; T3371-C3375 PolarHBondContact O-SG 3.07Å; V3372-C3375 WeakPolarHBondContact O-CB 3.47Å; V3372-C3375 PolarHBondContact O-N 2.93Å; C3375-Q3377 VanDerWaalsContact C-N 3.34Å; C3375-Q3377 PolarHBondContact O-N 3.09Å; C3375-D3378 PolarHBondContact O-N 3.26Å; C3375-N3379 PolarHBondContact O-N 3.09Å; C3375-R3380 CarbonylContact C-O 3.47Å; C3375-R3380 HydrophobicContact CB-CB 4.46Å; C3375-R3380 WeakPolarHBondContact CB-O 3.47Å; C3375-R3380 PolarHBondContact O-N 3.17Å; C3375-I3382 HydrophobicContact CB-CG2 4.49Å
3376L91.4Very high91.3Very high37.3333 Ų37.333326.9 Ų26.920%0.19514%0.142CC..Hα-helixtrans-61-44.2175.7-67.5175.3000112F2949 F2954 V3372 A3373 K3374 D3378 N3379 F3668 L3677 L3688 I3689F2949-L3376 HydrophobicContact CE1-CB 4.21Å; F2949-L3376 HydrophobicContact CE1-CD2 4.41Å; F2949-L3376 HydrophobicContact CZ-CB 4.05Å; F2949-L3376 HydrophobicContact CZ-CD1 4.16Å; F2954-L3376 HydrophobicContact CE1-CB 4.34Å; F2954-L3376 HydrophobicContact CZ-CB 4.2Å; F2954-L3376 VanDerWaalsContact CZ-O 3.23Å; F2954-L3376 WeakPolarHBondContact CZ-O 3.16Å; V3372-L3376 HydrophobicContact CG1-CD1 4.2Å; V3372-L3376 HydrophobicContact CG1-CG 4.5Å; V3372-L3376 WeakPolarHBondContact O-CG 3.33Å; V3372-L3376 PolarHBondContact O-N 3.27Å; A3373-L3376 PolarHBondContact O-N 3.32Å; K3374-L3376 VanDerWaalsContact C-N 3.33Å; K3374-L3376 PolarHBondContact O-N 2.89Å; L3376-D3378 PolarHBondContact O-N 3.13Å; L3376-N3379 PolarHBondContact O-N 3.11Å; L3376-F3668 HydrophobicContact CD1-CE2 4.29Å; L3376-F3668 HydrophobicContact CD1-CZ 4.25Å; L3376-L3677 HydrophobicContact CD1-CD2 3.74Å; L3376-L3688 HydrophobicContact CD1-CD2 4.22Å; L3376-L3688 HydrophobicContact CD2-CB 4.49Å; L3376-L3688 HydrophobicContact CD2-CD2 3.32Å; L3376-L3688 HydrophobicContact CD2-CG 3.68Å; L3376-L3688 HydrophobicContact CG-CD2 4.35Å; L3376-I3689 HydrophobicContact CD2-CG1 4.18Å
3377Q90.8Very high91.1Very high15.3333 Ų15.333323.9 Ų23.97%0.07213%0.129CC..Hα-helixtrans-62.1-43.9179.6-171.1-172.3-20.200112.6F2954 R2958 R3247 A3373 K3374 C3375 N3379 V3671 L3672F2954-Q3377 HydrophobicContact CB-CG 4.13Å; F2954-Q3377 HydrophobicContact CD1-CB 4Å; F2954-Q3377 HydrophobicContact CD1-CG 3.9Å; F2954-Q3377 VanDerWaalsContact CE1-CA 3.49Å; F2954-Q3377 HydrophobicContact CE1-CB 4.19Å; F2954-Q3377 HydrophobicContact CE1-CG 4.47Å; F2954-Q3377 HydrophobicContact CG-CB 4.46Å; F2954-Q3377 HydrophobicContact CG-CG 4.05Å; R2958-Q3377 VanDerWaalsContact NH1-C 3.31Å; R2958-Q3377 PolarHBondContact NH1-O 3.35Å; R3247-Q3377 PolarHBondContact O-NE2 2.83Å; A3373-Q3377 VanDerWaalsContact O-CB 3.31Å; A3373-Q3377 WeakPolarHBondContact O-CB 3.41Å; A3373-Q3377 PolarHBondContact O-N 2.72Å; K3374-Q3377 PolarHBondContact O-N 2.94Å; C3375-Q3377 VanDerWaalsContact C-N 3.34Å; C3375-Q3377 PolarHBondContact O-N 3.09Å; Q3377-N3379 VanDerWaalsContact C-N 3.3Å; Q3377-N3379 PolarHBondContact O-N 3.37Å; Q3377-V3671 HydrophobicContact CB-CG1 4.4Å; Q3377-V3671 VanDerWaalsContact OE1-CG1 3.29Å; Q3377-L3672 HydrophobicContact CB-CD2 4.47Å
3378D89.1Confident90.8Very high16.6667 Ų16.666725.9 Ų25.99%0.08914%0.144CC..THydrogen-bonded Turntrans-87.13.9-179.6-73.8-16.8000113.6R2958 E3250 L3251 K3374 C3375 L3376 R3380R2958-D3378 IonicContact CZ-OD1 3.58Å; R2958-D3378 IonicContact NH1-OD1 3.29Å; R2958-D3378 PolarHBondContact NH1-OD1 2.98Å; R2958-D3378 IonicContact NH2-OD1 3.45Å; R2958-D3378 PolarHBondContact NH2-OD1 2.89Å; E3250-D3378 WeakPolarHBondContact CA-OD1 3.37Å; E3250-D3378 HydrophobicContact CG-CB 4.42Å; L3251-D3378 PolarHBondContact N-OD2 3.38Å; L3251-D3378 VanDerWaalsContact N-OD2 3.15Å; K3374-D3378 WeakPolarHBondContact CE-OD2 3.48Å; K3374-D3378 WeakPolarHBondContact O-CB 3.35Å; K3374-D3378 PolarHBondContact O-N 3.01Å; C3375-D3378 PolarHBondContact O-N 3.26Å; L3376-D3378 PolarHBondContact O-N 3.13Å; D3378-R3380 VanDerWaalsContact C-N 3.34Å; D3378-R3380 HydrophobicContact CB-CG 4.02Å; D3378-R3380 PolarHBondContact O-N 3.21Å; D3378-R3380 IonicContact OD2-CZ 3.13Å; D3378-R3380 IonicContact OD2-NH1 2.99Å; D3378-R3380 PolarHBondContact OD2-NH1 3.21Å
3379N87.3Confident90.5Very high141 Ų14125.6 Ų25.675%0.75414%0.142SC*.THydrogen-bonded Turntrans53.946.4-175.6-170.845.2000112.8C3375 L3376 Q3377C3375-N3379 PolarHBondContact O-N 3.09Å; L3376-N3379 PolarHBondContact O-N 3.11Å; Q3377-N3379 VanDerWaalsContact C-N 3.3Å; Q3377-N3379 PolarHBondContact O-N 3.37Å
3380R87.6Confident90.5Very high13.6667 Ų13.666725.3 Ų25.35%0.05214%0.137CC..  trans-113.1157.9179-64.3172.7-175.7169.1-9.8110.1E3250 L3251 T3266 L3267 Y3270 C3375 D3378E3250-R3380 VanDerWaalsContact CG-NH2 3.26Å; E3250-R3380 IonicContact OE1-CZ 3.54Å; E3250-R3380 IonicContact OE1-NH2 3.32Å; E3250-R3380 PolarHBondContact OE1-NH2 3.13Å; L3251-R3380 VanDerWaalsContact O-CZ 3.23Å; L3251-R3380 PolarHBondContact O-NH1 3.23Å; L3251-R3380 PolarHBondContact O-NH2 3.02Å; T3266-R3380 VanDerWaalsContact CG2-CZ 3.4Å; T3266-R3380 VanDerWaalsContact CG2-NH1 3.31Å; L3267-R3380 HydrophobicContact CD2-CB 4.31Å; L3267-R3380 HydrophobicContact CD2-CG 4.33Å; Y3270-R3380 HydrophobicContact CE2-CB 4.49Å; Y3270-R3380 VanDerWaalsContact CE2-CD 3.43Å; Y3270-R3380 PolarHBondContact OH-NH1 2.84Å; C3375-R3380 CarbonylContact C-O 3.47Å; C3375-R3380 HydrophobicContact CB-CB 4.46Å; C3375-R3380 WeakPolarHBondContact CB-O 3.47Å; C3375-R3380 PolarHBondContact O-N 3.17Å; D3378-R3380 VanDerWaalsContact C-N 3.34Å; D3378-R3380 HydrophobicContact CB-CG 4.02Å; D3378-R3380 PolarHBondContact O-N 3.21Å; D3378-R3380 IonicContact OD2-CZ 3.13Å; D3378-R3380 IonicContact OD2-NH1 2.99Å; D3378-R3380 PolarHBondContact OD2-NH1 3.21Å
3381R84.9Confident90.2Very high70.6667 Ų70.666726.7 Ų26.727%0.26714%0.144SC..  trans-104.1151.7177.3-61.2-175.7-176.9178.20.2109.7I3689 P3748R3381-I3689 WeakPolarHBondContact CA-O 3.4Å; R3381-P3748 VanDerWaalsContact CZ-CB 3.48Å; R3381-P3748 VanDerWaalsContact NH1-CA 3.31Å; R3381-P3748 VanDerWaalsContact NH2-CA 3.32Å
3382I87.6Confident89.8Confident12 Ų1229.2 Ų29.26%0.06216%0.155CC..  trans-128.6131.3171.9-172.9165.4000108.9A3274 T3371 C3375 L3384 I3689 A3690A3274-I3382 HydrophobicContact CB-CD1 4.17Å; A3274-I3382 HydrophobicContact CB-CG1 3.74Å; T3371-I3382 HydrophobicContact CG2-CD1 3.47Å; T3371-I3382 VanDerWaalsContact CG2-CD1 3.44Å; C3375-I3382 HydrophobicContact CB-CG2 4.49Å; I3382-L3384 HydrophobicContact CD1-CD1 3.71Å; I3382-L3384 HydrophobicContact CD1-CG 4.27Å; I3382-L3384 HydrophobicContact CG1-CD1 3.98Å; I3382-L3384 HydrophobicContact CG1-CG 4.05Å; I3382-L3384 HydrophobicContact CG2-CB 4.49Å; I3382-L3384 HydrophobicContact CG2-CD1 4.23Å; I3382-L3384 HydrophobicContact CG2-CG 4.48Å; I3382-L3384 PolarHBondContact O-N 3.18Å; I3382-I3689 HydrophobicContact CG2-CG2 3.61Å; I3382-I3689 PolarHBondContact N-O 2.64Å; I3382-A3690 WeakPolarHBondContact O-CA 3.49Å
3383D84.5Confident89.4Confident44 Ų4428.9 Ų28.924%0.23515%0.153CC..  trans-78.769.1-176.3-137.1-7.6000110.8S3271 A3274 R3278 R3735 S3745S3271-D3383 WeakPolarHBondContact CB-OD2 3.49Å; S3271-D3383 PolarHBondContact OG-OD2 2.93Å; A3274-D3383 HydrophobicContact CB-CB 4.41Å; A3274-D3383 WeakPolarHBondContact CB-O 3.49Å; R3278-D3383 VanDerWaalsContact CZ-O 3.29Å; R3278-D3383 PolarHBondContact NE-O 2.86Å; R3278-D3383 VanDerWaalsContact NE-O 3.12Å; R3278-D3383 PolarHBondContact NH2-O 3.06Å; R3278-D3383 IonicContact NH2-OD1 3.71Å; R3278-D3383 PolarHBondContact NH2-OD1 3.35Å; D3383-R3735 IonicContact OD1-CZ 2.77Å; D3383-R3735 IonicContact OD1-NH2 2.83Å; D3383-R3735 PolarHBondContact OD1-NH2 3.29Å; D3383-R3735 IonicContact OD2-CZ 3.72Å; D3383-R3735 IonicContact OD2-NH2 3.75Å; D3383-R3735 PolarHBondContact OD2-NH2 3.13Å; D3383-S3745 WeakPolarHBondContact CB-OG 3.26Å; D3383-S3745 PolarHBondContact OD2-OG 2.81Å
3384L87.8Confident89.1Confident7.33333 Ų7.3333329.6 Ų29.64%0.03815%0.154CC..  trans-122.8106174.6-73.4172.1000108.7A3274 L3277 R3278 L3347 L3368 I3382 L3386A3274-L3384 HydrophobicContact CB-CD2 4.07Å; A3274-L3384 HydrophobicContact CB-CG 3.98Å; L3277-L3384 HydrophobicContact CB-CD2 4.42Å; L3277-L3384 HydrophobicContact CD1-CD1 4.33Å; R3278-L3384 HydrophobicContact CG-CD2 3.81Å; L3347-L3384 HydrophobicContact CD1-CD2 4.08Å; L3368-L3384 HydrophobicContact CD1-CD1 3.39Å; L3368-L3384 VanDerWaalsContact CD1-CD1 3.42Å; I3382-L3384 HydrophobicContact CD1-CD1 3.71Å; I3382-L3384 HydrophobicContact CD1-CG 4.27Å; I3382-L3384 HydrophobicContact CG1-CD1 3.98Å; I3382-L3384 HydrophobicContact CG1-CG 4.05Å; I3382-L3384 HydrophobicContact CG2-CB 4.49Å; I3382-L3384 HydrophobicContact CG2-CD1 4.23Å; I3382-L3384 HydrophobicContact CG2-CG 4.48Å; I3382-L3384 PolarHBondContact O-N 3.18Å; L3384-L3386 VanDerWaalsContact C-N 3.26Å; L3384-L3386 HydrophobicContact CB-CD2 4.13Å; L3384-L3386 HydrophobicContact CB-CG 4.42Å; L3384-L3386 PolarHBondContact O-N 3.37Å
3385P88.2Confident88.6Confident45.3333 Ų45.333331.2 Ų31.229%0.29417%0.165SC..  trans-78.678.9179.530.3-25.1000108.4G3346 L3347G3346-P3385 CarbonylContact C-O 3.57Å; G3346-P3385 WeakPolarHBondContact CA-O 3.43Å; L3347-P3385 VanDerWaalsContact CD1-CD 3.46Å; L3347-P3385 HydrophobicContact CD1-CG 4.43Å; L3347-P3385 HydrophobicContact CG-CG 4.38Å; L3347-P3385 WeakPolarHBondContact CG-O 3.37Å; L3347-P3385 PolarHBondContact N-O 3.21Å
3386L91.8Very high87.8Confident27 Ų2732.9 Ų32.914%0.14118%0.176CC..BIsolated β-bridgetrans-67.6138.9178.7-56.6-175.6000110.2W3285 L3347 L3384 L3390 L3391 L3394 I3689W3285-L3386 HydrophobicContact CH2-CD2 4.19Å; L3347-L3386 HydrophobicContact CB-CD2 4.42Å; L3384-L3386 VanDerWaalsContact C-N 3.26Å; L3384-L3386 HydrophobicContact CB-CD2 4.13Å; L3384-L3386 HydrophobicContact CB-CG 4.42Å; L3384-L3386 PolarHBondContact O-N 3.37Å; L3386-L3390 HydrophobicContact CB-CD2 4.24Å; L3386-L3390 HydrophobicContact CD1-CD2 4.44Å; L3386-L3390 HydrophobicContact CD2-CD2 3.97Å; L3386-L3390 HydrophobicContact CG-CD2 4.43Å; L3386-L3391 HydrophobicContact CB-CD1 4.36Å; L3386-L3391 HydrophobicContact CB-CD2 4.05Å; L3386-L3391 HydrophobicContact CB-CG 4.05Å; L3386-L3391 HydrophobicContact CD1-CD2 4.06Å; L3386-L3394 HydrophobicContact CD1-CD1 4.48Å; L3386-I3689 HydrophobicContact CD1-CD1 4.19Å
3387S91.9Very high86.8Confident2 Ų233.1 Ų33.11%0.01417%0.174CC..  trans-68150.6179.165.10000112.2Y3345 L3347 F3348 P3389 L3390 L3391Y3345-S3387 WeakPolarHBondContact O-CA 3.43Å; Y3345-S3387 VanDerWaalsContact O-CB 3.28Å; Y3345-S3387 WeakPolarHBondContact O-CB 3.35Å; L3347-S3387 VanDerWaalsContact O-CB 3.29Å; L3347-S3387 WeakPolarHBondContact O-CB 3.37Å; L3347-S3387 PolarHBondContact O-N 3.03Å; L3347-S3387 PolarHBondContact O-OG 3.39Å; F3348-S3387 WeakPolarHBondContact CB-OG 3Å; F3348-S3387 WeakPolarHBondContact CD2-OG 3.45Å; S3387-P3389 VanDerWaalsContact C-N 3.34Å; S3387-L3390 WeakPolarHBondContact O-CB 3.46Å; S3387-L3390 PolarHBondContact O-N 3.07Å; S3387-L3390 WeakPolarHBondContact OG-CB 3.31Å; S3387-L3390 PolarHBondContact OG-N 3.17Å; S3387-L3391 WeakPolarHBondContact O-CG 3.45Å; S3387-L3391 PolarHBondContact O-N 3.27Å
3388S89.7Confident85.3Confident43 Ų4333.1 Ų33.130%0.30118%0.178SC..Hα-helixtrans-55.2-43.1177.6-178.20000113L3390 L3391 K3392S3388-L3390 VanDerWaalsContact C-N 3.32Å; S3388-L3390 PolarHBondContact O-N 2.94Å; S3388-L3391 PolarHBondContact O-N 3.17Å; S3388-K3392 VanDerWaalsContact O-CB 3.23Å; S3388-K3392 WeakPolarHBondContact O-CB 3.31Å; S3388-K3392 PolarHBondContact O-N 3.1Å
3389P90.2Very high83.8Confident0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-58.9-38.1172.9-29.639.2000114.7F3348 S3387 K3392 L3393 L3522 D3526 I3529 I3530F3348-P3389 HydrophobicContact CD2-CB 4.11Å; F3348-P3389 HydrophobicContact CE2-CB 3.94Å; S3387-P3389 VanDerWaalsContact C-N 3.34Å; P3389-K3392 WeakPolarHBondContact O-CB 3.14Å; P3389-K3392 PolarHBondContact O-N 3.35Å; P3389-L3393 WeakPolarHBondContact O-CB 3.48Å; P3389-L3393 WeakPolarHBondContact O-CG 3.23Å; P3389-L3393 PolarHBondContact O-N 3.05Å; P3389-L3393 VanDerWaalsContact O-N 3.11Å; P3389-L3522 HydrophobicContact CB-CD1 4Å; P3389-L3522 HydrophobicContact CB-CD2 4.02Å; P3389-D3526 HydrophobicContact CB-CB 4.06Å; P3389-D3526 HydrophobicContact CG-CB 3.83Å; P3389-I3529 HydrophobicContact CG-CB 4.27Å; P3389-I3529 HydrophobicContact CG-CD1 4.37Å; P3389-I3529 HydrophobicContact CG-CG2 4.27Å; P3389-I3530 HydrophobicContact CB-CD1 3.9Å; P3389-I3530 HydrophobicContact CB-CG1 4.34Å; P3389-I3530 HydrophobicContact CG-CD1 4.03Å; P3389-I3530 HydrophobicContact CG-CG1 4.04Å
3390L92.8Very high82.3Confident8.66667 Ų8.6666729 Ų295%0.04516%0.161CC..Hα-helixtrans-68.2-43.8176.1177.659.5000111.2W3285 F3348 P3349 L3386 S3387 S3388 K3392 L3393 L3394 L3661W3285-L3390 HydrophobicContact CZ3-CD2 4.14Å; F3348-L3390 HydrophobicContact CD2-CB 4.05Å; F3348-L3390 HydrophobicContact CE2-CB 4.42Å; P3349-L3390 HydrophobicContact CG-CD1 4.1Å; L3386-L3390 HydrophobicContact CB-CD2 4.24Å; L3386-L3390 HydrophobicContact CD1-CD2 4.44Å; L3386-L3390 HydrophobicContact CD2-CD2 3.97Å; L3386-L3390 HydrophobicContact CG-CD2 4.43Å; S3387-L3390 WeakPolarHBondContact O-CB 3.46Å; S3387-L3390 PolarHBondContact O-N 3.07Å; S3387-L3390 WeakPolarHBondContact OG-CB 3.31Å; S3387-L3390 PolarHBondContact OG-N 3.17Å; S3388-L3390 VanDerWaalsContact C-N 3.32Å; S3388-L3390 PolarHBondContact O-N 2.94Å; L3390-K3392 VanDerWaalsContact C-N 3.29Å; L3390-K3392 PolarHBondContact O-N 3.24Å; L3390-L3393 WeakPolarHBondContact O-CB 3.44Å; L3390-L3393 PolarHBondContact O-N 2.97Å; L3390-L3394 HydrophobicContact CD1-CD1 4.16Å; L3390-L3394 HydrophobicContact CD1-CG 4.38Å; L3390-L3394 HydrophobicContact CG-CD1 4.24Å; L3390-L3394 VanDerWaalsContact O-CG 3.31Å; L3390-L3394 WeakPolarHBondContact O-CG 3.39Å; L3390-L3394 PolarHBondContact O-N 3Å; L3390-L3394 VanDerWaalsContact O-N 3.12Å; L3390-L3661 HydrophobicContact CD1-CD2 3.8Å
3391L90.5Very high80.8Confident37.3333 Ų37.333330.4 Ų30.420%0.19517%0.171CC..Hα-helixtrans-62.5-37.6176.1-67.4169000111.8L3386 S3387 S3388 L3394 S3395 A3682 L3685 I3689L3386-L3391 HydrophobicContact CB-CD1 4.36Å; L3386-L3391 HydrophobicContact CB-CD2 4.05Å; L3386-L3391 HydrophobicContact CB-CG 4.05Å; L3386-L3391 HydrophobicContact CD1-CD2 4.06Å; S3387-L3391 WeakPolarHBondContact O-CG 3.45Å; S3387-L3391 PolarHBondContact O-N 3.27Å; S3388-L3391 PolarHBondContact O-N 3.17Å; L3391-L3394 PolarHBondContact O-N 3.06Å; L3391-S3395 VanDerWaalsContact O-CB 3.31Å; L3391-S3395 WeakPolarHBondContact O-CB 3.44Å; L3391-S3395 PolarHBondContact O-N 3.15Å; L3391-S3395 PolarHBondContact O-OG 3.47Å; L3391-A3682 HydrophobicContact CB-CB 3.93Å; L3391-L3685 HydrophobicContact CD2-CB 4.41Å; L3391-L3685 HydrophobicContact CD2-CD2 4.14Å; L3391-L3685 HydrophobicContact CD2-CG 4Å; L3391-I3689 HydrophobicContact CD2-CD1 4.23Å
3392K86.7Confident79Confident53 Ų5328.6 Ų28.623%0.2317%0.167CC..Hα-helixtrans-60.9-45.7173.4-177.6178.3176.6-173.50111.7S3388 P3389 L3390 L3394 S3395 T3396 L3521 L3522 D3526 A3682S3388-K3392 VanDerWaalsContact O-CB 3.23Å; S3388-K3392 WeakPolarHBondContact O-CB 3.31Å; S3388-K3392 PolarHBondContact O-N 3.1Å; P3389-K3392 WeakPolarHBondContact O-CB 3.14Å; P3389-K3392 PolarHBondContact O-N 3.35Å; L3390-K3392 VanDerWaalsContact C-N 3.29Å; L3390-K3392 PolarHBondContact O-N 3.24Å; K3392-L3394 PolarHBondContact O-N 3.23Å; K3392-S3395 PolarHBondContact O-N 3.45Å; K3392-S3395 PolarHBondContact O-OG 3.18Å; K3392-T3396 WeakPolarHBondContact O-CB 3.32Å; K3392-T3396 VanDerWaalsContact O-CG2 3.28Å; K3392-T3396 WeakPolarHBondContact O-CG2 3.18Å; K3392-T3396 PolarHBondContact O-N 3.16Å; K3392-T3396 VanDerWaalsContact O-N 3.1Å; K3392-T3396 PolarHBondContact O-OG1 3.17Å; K3392-L3521 WeakPolarHBondContact CE-O 3.31Å; K3392-L3521 PolarHBondContact NZ-O 2.89Å; K3392-L3522 HydrophobicContact CB-CD2 4.36Å; K3392-L3522 HydrophobicContact CD-CD2 3.78Å; K3392-L3522 HydrophobicContact CG-CD2 4.17Å; K3392-D3526 WeakPolarHBondContact CD-OD1 3.36Å; K3392-D3526 IonicContact NZ-OD1 3Å; K3392-D3526 PolarHBondContact NZ-OD1 2.81Å; K3392-D3526 IonicContact NZ-OD2 3.78Å; K3392-D3526 PolarHBondContact NZ-OD2 3.39Å; K3392-A3682 HydrophobicContact CB-CB 4.3Å
3393L85.7Confident76.8Confident10 Ų1030.4 Ų30.45%0.05218%0.178CC..Hα-helixtrans-59.5-49174.3-100.5173.2000112F3348 P3389 L3390 S3395 T3396 Y3397 I3518 L3521 L3522 I3657 L3661F3348-L3393 HydrophobicContact CE2-CD1 4.4Å; P3389-L3393 WeakPolarHBondContact O-CB 3.48Å; P3389-L3393 WeakPolarHBondContact O-CG 3.23Å; P3389-L3393 PolarHBondContact O-N 3.05Å; P3389-L3393 VanDerWaalsContact O-N 3.11Å; L3390-L3393 WeakPolarHBondContact O-CB 3.44Å; L3390-L3393 PolarHBondContact O-N 2.97Å; L3393-S3395 VanDerWaalsContact C-N 3.33Å; L3393-S3395 PolarHBondContact O-N 3.22Å; L3393-T3396 PolarHBondContact O-N 3.1Å; L3393-T3396 PolarHBondContact O-OG1 3.15Å; L3393-Y3397 PolarHBondContact O-N 3.04Å; L3393-I3518 HydrophobicContact CD2-CB 3.98Å; L3393-I3518 HydrophobicContact CD2-CG2 4.32Å; L3393-L3521 HydrophobicContact CD2-CB 3.73Å; L3393-L3521 HydrophobicContact CD2-CD1 3.94Å; L3393-L3521 HydrophobicContact CD2-CG 4.44Å; L3393-L3522 HydrophobicContact CD1-CD1 3.77Å; L3393-L3522 HydrophobicContact CD1-CG 4.37Å; L3393-L3522 HydrophobicContact CD2-CD1 4.13Å; L3393-L3522 HydrophobicContact CD2-CD2 4.2Å; L3393-L3522 HydrophobicContact CD2-CG 3.8Å; L3393-L3522 HydrophobicContact CG-CD1 3.88Å; L3393-L3522 HydrophobicContact CG-CD2 4.13Å; L3393-L3522 HydrophobicContact CG-CG 3.98Å; L3393-I3657 HydrophobicContact CD1-CD1 3.92Å; L3393-L3661 HydrophobicContact CD1-CD1 3.7Å
3394L86.9Confident74.7Confident32.6667 Ų32.666732.9 Ų32.917%0.17119%0.188CC..Hα-helixtrans-65.1-39.4-178.5-66.1178.4000112.5L3386 L3390 L3391 K3392 T3396 F3664 L3677 L3685L3386-L3394 HydrophobicContact CD1-CD1 4.48Å; L3390-L3394 HydrophobicContact CD1-CD1 4.16Å; L3390-L3394 HydrophobicContact CD1-CG 4.38Å; L3390-L3394 HydrophobicContact CG-CD1 4.24Å; L3390-L3394 VanDerWaalsContact O-CG 3.31Å; L3390-L3394 WeakPolarHBondContact O-CG 3.39Å; L3390-L3394 PolarHBondContact O-N 3Å; L3390-L3394 VanDerWaalsContact O-N 3.12Å; L3391-L3394 PolarHBondContact O-N 3.06Å; K3392-L3394 PolarHBondContact O-N 3.23Å; L3394-T3396 VanDerWaalsContact C-N 3.33Å; L3394-T3396 PolarHBondContact O-N 3.06Å; L3394-F3664 HydrophobicContact CD1-CE1 4.05Å; L3394-F3664 HydrophobicContact CD1-CZ 3.87Å; L3394-F3664 HydrophobicContact CD2-CD1 3.81Å; L3394-F3664 HydrophobicContact CD2-CE1 3.42Å; L3394-F3664 VanDerWaalsContact CD2-CE1 3.42Å; L3394-F3664 HydrophobicContact CD2-CZ 4.11Å; L3394-F3664 HydrophobicContact CG-CE1 4.39Å; L3394-L3677 HydrophobicContact CB-CD1 4.06Å; L3394-L3685 HydrophobicContact CB-CD2 3.91Å
3395S82.2Confident72.2Confident36.3333 Ų36.333338.5 Ų38.525%0.25422%0.219SC..Hα-helixtrans-72.5-25.6178.368.50000113.4L3391 K3392 L3393 A3678 F3680L3391-S3395 VanDerWaalsContact O-CB 3.31Å; L3391-S3395 WeakPolarHBondContact O-CB 3.44Å; L3391-S3395 PolarHBondContact O-N 3.15Å; L3391-S3395 PolarHBondContact O-OG 3.47Å; K3392-S3395 PolarHBondContact O-N 3.45Å; K3392-S3395 PolarHBondContact O-OG 3.18Å; L3393-S3395 VanDerWaalsContact C-N 3.33Å; L3393-S3395 PolarHBondContact O-N 3.22Å; S3395-A3678 WeakPolarHBondContact O-CA 3.33Å; S3395-A3678 WeakPolarHBondContact O-CB 3.25Å; S3395-F3680 WeakPolarHBondContact CB-O 3.28Å
3396T75.1Confident69.5Low36.6667 Ų36.666738.3 Ų38.323%0.22522%0.218CC..Hα-helixtrans-89-23.6-178.548.50000114K3392 L3393 L3394 G3398 S3399 V3400 L3521K3392-T3396 WeakPolarHBondContact O-CB 3.32Å; K3392-T3396 VanDerWaalsContact O-CG2 3.28Å; K3392-T3396 WeakPolarHBondContact O-CG2 3.18Å; K3392-T3396 PolarHBondContact O-N 3.16Å; K3392-T3396 VanDerWaalsContact O-N 3.1Å; K3392-T3396 PolarHBondContact O-OG1 3.17Å; L3393-T3396 PolarHBondContact O-N 3.1Å; L3393-T3396 PolarHBondContact O-OG1 3.15Å; L3394-T3396 VanDerWaalsContact C-N 3.33Å; L3394-T3396 PolarHBondContact O-N 3.06Å; T3396-G3398 VanDerWaalsContact C-N 3.3Å; T3396-G3398 PolarHBondContact O-N 3.15Å; T3396-G3398 VanDerWaalsContact O-N 3.14Å; T3396-S3399 WeakPolarHBondContact O-CA 3.23Å; T3396-S3399 WeakPolarHBondContact O-CB 3.24Å; T3396-S3399 PolarHBondContact O-N 3.04Å; T3396-V3400 WeakPolarHBondContact O-CG2 3.24Å; T3396-V3400 PolarHBondContact O-N 3.09Å; T3396-V3400 VanDerWaalsContact O-N 3.12Å; T3396-L3521 WeakPolarHBondContact OG1-CD1 3.39Å
3397Y72.3Confident66.6Low43 Ų4341.7 Ų41.717%0.16924%0.236CC..Hα-helixtrans-48.1-49.5178.8176.9-102.3000113.1L3393 S3399 V3400 V3401 W3517 K3665 E3669 L3674L3393-Y3397 PolarHBondContact O-N 3.04Å; Y3397-S3399 VanDerWaalsContact C-N 3.27Å; Y3397-S3399 PolarHBondContact O-N 3.23Å; Y3397-V3400 PolarHBondContact O-N 3.16Å; Y3397-V3400 VanDerWaalsContact O-N 3.08Å; Y3397-V3401 HydrophobicContact CD2-CG2 3.64Å; Y3397-V3401 HydrophobicContact CE1-CG2 4.27Å; Y3397-V3401 HydrophobicContact CE2-CG2 3.38Å; Y3397-V3401 HydrophobicContact CG-CG2 4.26Å; Y3397-V3401 WeakPolarHBondContact O-CG2 3.36Å; Y3397-V3401 PolarHBondContact O-N 3.27Å; Y3397-W3517 HydrophobicContact CD2-CB 4.35Å; Y3397-W3517 AromaticContact CD2-CD2 3.62Å; Y3397-W3517 HydrophobicContact CD2-CD2 3.62Å; Y3397-W3517 AromaticContact CD2-CE3 3.38Å; Y3397-W3517 HydrophobicContact CD2-CE3 3.38Å; Y3397-W3517 VanDerWaalsContact CD2-CE3 3.44Å; Y3397-W3517 HydrophobicContact CD2-CG 4.13Å; Y3397-W3517 HydrophobicContact CD2-CH2 4.28Å; Y3397-W3517 HydrophobicContact CD2-CZ2 4.42Å; Y3397-W3517 AromaticContact CD2-CZ3 3.72Å; Y3397-W3517 HydrophobicContact CD2-CZ3 3.72Å; Y3397-W3517 AromaticContact CE2-CD2 3.82Å; Y3397-W3517 HydrophobicContact CE2-CD2 3.93Å; Y3397-W3517 HydrophobicContact CE2-CE3 4.17Å; Y3397-W3517 HydrophobicContact CE2-CG 4.12Å; Y3397-W3517 HydrophobicContact CE2-CZ3 4.43Å; Y3397-W3517 HydrophobicContact CG-CE3 4.25Å; Y3397-W3517 HydrophobicContact CG-CZ3 4.26Å; Y3397-K3665 HydrophobicContact CE2-CD 4.04Å; Y3397-K3665 WeakPolarHBondContact OH-CE 3.36Å; Y3397-E3669 PolarHBondContact OH-OE1 2.6Å; Y3397-L3674 HydrophobicContact CD1-CB 3.7Å; Y3397-L3674 HydrophobicContact CD1-CD2 3.66Å; Y3397-L3674 HydrophobicContact CD1-CG 3.55Å; Y3397-L3674 HydrophobicContact CD2-CD2 3.96Å; Y3397-L3674 HydrophobicContact CE1-CB 3.61Å; Y3397-L3674 HydrophobicContact CE1-CD2 3.9Å; Y3397-L3674 HydrophobicContact CE1-CG 3.94Å; Y3397-L3674 HydrophobicContact CE2-CD2 4.16Å; Y3397-L3674 HydrophobicContact CG-CD2 3.67Å; Y3397-L3674 HydrophobicContact CG-CG 3.98Å
3398G57.5Low63.9Low15.3333 Ų15.333347.4 Ų47.416%0.15827%0.266CS..Hα-helixtrans-66.1-22.7179.700000114.7T3396 N3402T3396-G3398 VanDerWaalsContact C-N 3.3Å; T3396-G3398 PolarHBondContact O-N 3.15Å; T3396-G3398 VanDerWaalsContact O-N 3.14Å; G3398-N3402 PolarHBondContact O-ND2 3.27Å
3399S57.9Low61.4Low52 Ų5251.9 Ų51.936%0.36428%0.282SS..Hα-helixtrans-80.3-29.9172.7-99.20000112.3Q2934 T3396 Y3397 T3403Q2934-S3399 PolarHBondContact O-OG 3.41Å; Q2934-S3399 VanDerWaalsContact O-OG 3.08Å; T3396-S3399 WeakPolarHBondContact O-CA 3.23Å; T3396-S3399 WeakPolarHBondContact O-CB 3.24Å; T3396-S3399 PolarHBondContact O-N 3.04Å; Y3397-S3399 VanDerWaalsContact C-N 3.27Å; Y3397-S3399 PolarHBondContact O-N 3.23Å; S3399-T3403 PolarHBondContact O-OG1 3.07Å
3400V55.6Low58.7Low18.6667 Ų18.666756.9 Ų56.911%0.11331%0.306CS..Hα-helixtrans-83.8-44.5-174.3171.30000112.2T3396 Y3397 N3402 T3403 H3404 L3521T3396-V3400 WeakPolarHBondContact O-CG2 3.24Å; T3396-V3400 PolarHBondContact O-N 3.09Å; T3396-V3400 VanDerWaalsContact O-N 3.12Å; Y3397-V3400 PolarHBondContact O-N 3.16Å; Y3397-V3400 VanDerWaalsContact O-N 3.08Å; V3400-N3402 VanDerWaalsContact C-N 3.29Å; V3400-N3402 PolarHBondContact O-N 3.16Å; V3400-N3402 VanDerWaalsContact O-N 3.16Å; V3400-T3403 PolarHBondContact O-N 2.9Å; V3400-T3403 VanDerWaalsContact O-N 3.13Å; V3400-T3403 PolarHBondContact O-OG1 3.03Å; V3400-H3404 WeakPolarHBondContact CG1-CD2 3.36Å; V3400-H3404 PolarHBondContact O-CD2 3.15Å; V3400-H3404 VanDerWaalsContact O-CD2 3.25Å; V3400-H3404 PolarHBondContact O-N 2.7Å; V3400-H3404 VanDerWaalsContact O-N 3.17Å; V3400-L3521 HydrophobicContact CG2-CD1 4.24Å; V3400-L3521 HydrophobicContact CG2-CD2 3.8Å
3401V57.2Low55.9Low43 Ų4361.1 Ų61.126%0.26133%0.327SS..Hα-helixtrans-64.2-30.4-179.2175.80000112Y3397 T3403 H3404 N3405 W3517Y3397-V3401 HydrophobicContact CD2-CG2 3.64Å; Y3397-V3401 HydrophobicContact CE1-CG2 4.27Å; Y3397-V3401 HydrophobicContact CE2-CG2 3.38Å; Y3397-V3401 HydrophobicContact CG-CG2 4.26Å; Y3397-V3401 WeakPolarHBondContact O-CG2 3.36Å; Y3397-V3401 PolarHBondContact O-N 3.27Å; V3401-T3403 PolarHBondContact O-N 2.99Å; V3401-H3404 PolarHBondContact O-N 2.96Å; V3401-N3405 PolarHBondContact O-N 3.5Å; V3401-W3517 HydrophobicContact CG2-CB 4.39Å
3402N46.6Very low53.1Low33 Ų3365.7 Ų65.718%0.17635%0.348CS..Hα-helixtrans-68.3-20.5176-75.5-21.5000113.2Q2934 G3398 V3400Q2934-N3402 PolarHBondContact OE1-ND2 3.11Å; G3398-N3402 PolarHBondContact O-ND2 3.27Å; V3400-N3402 VanDerWaalsContact C-N 3.29Å; V3400-N3402 PolarHBondContact O-N 3.16Å; V3400-N3402 VanDerWaalsContact O-N 3.16Å
3403T41.7Very low50.6Low49.5 Ų49.571.6 Ų71.630%0.30437%0.374SS..Hα-helixtrans-92.7-34.7176.445.30000113.5S3399 V3400 V3401 N3405S3399-T3403 PolarHBondContact O-OG1 3.07Å; V3400-T3403 PolarHBondContact O-N 2.9Å; V3400-T3403 VanDerWaalsContact O-N 3.13Å; V3400-T3403 PolarHBondContact O-OG1 3.03Å; V3401-T3403 PolarHBondContact O-N 2.99Å; T3403-N3405 PolarHBondContact O-N 3.42Å
3404H39.9Very low47.8Very low96.5 Ų96.575.7 Ų75.745%0.44740%0.402SS..Hα-helixtrans-77.8-11-173.9-78.5-77.7000115.9V3400 V3401 C3406V3400-H3404 WeakPolarHBondContact CG1-CD2 3.36Å; V3400-H3404 PolarHBondContact O-CD2 3.15Å; V3400-H3404 VanDerWaalsContact O-CD2 3.25Å; V3400-H3404 PolarHBondContact O-N 2.7Å; V3400-H3404 VanDerWaalsContact O-N 3.17Å; V3401-H3404 PolarHBondContact O-N 2.96Å; H3404-C3406 VanDerWaalsContact C-N 3.26Å; H3404-C3406 PolarHBondContact O-N 3.2Å; H3404-C3406 VanDerWaalsContact O-N 3.08Å
3405N35.3Very low45.3Very low126 Ų12680.6 Ų80.667%0.67442%0.419SS*.THydrogen-bonded Turntrans-79.710.5177.7-83.4-17.9000114.5V3401 T3403 N3407V3401-N3405 PolarHBondContact O-N 3.5Å; T3403-N3405 PolarHBondContact O-N 3.42Å; N3405-N3407 PolarHBondContact O-N 2.88Å
3406C31.2Very low42.8Very low40.5 Ų40.583.3 Ų83.327%0.27444%0.438SS..SBendtrans-84.6101.5168.4-64.60000109.4H3404 D3408H3404-C3406 VanDerWaalsContact C-N 3.26Å; H3404-C3406 PolarHBondContact O-N 3.2Å; H3404-C3406 VanDerWaalsContact O-N 3.08Å; C3406-D3408 PolarHBondContact O-N 3.33Å; C3406-D3408 VanDerWaalsContact O-N 3.11Å
3407N31.6Very low40.6Very low98.5 Ų98.585.5 Ų85.553%0.52746%0.46SS..  trans-46.6122178.6-67.815.9000112.4S2746 N3405 H3409 E3410S2746-N3407 WeakPolarHBondContact CB-OD1 3.26Å; S2746-N3407 PolarHBondContact OG-OD1 2.73Å; N3405-N3407 PolarHBondContact O-N 2.88Å; N3407-H3409 PolarHBondContact O-N 3.07Å; N3407-E3410 PolarHBondContact O-N 3.19Å
3408D34.3Very low38.5Very low122.5 Ų122.589.4 Ų89.466%0.65549%0.489SS*.G310 helixtrans-56.7-11.3-178.5-67-60.2000115.3C3406 E3410 L3411C3406-D3408 PolarHBondContact O-N 3.33Å; C3406-D3408 VanDerWaalsContact O-N 3.11Å; D3408-E3410 VanDerWaalsContact C-N 3.28Å; D3408-E3410 PolarHBondContact O-N 3.16Å; D3408-L3411 PolarHBondContact O-N 2.93Å
3409H37.9Very low37.1Very low137.5 Ų137.594.1 Ų94.164%0.63752%0.519SS*.G310 helixtrans-72-7.6-179.7-104.5-48.4000115.7N3407 E3412 Q3512N3407-H3409 PolarHBondContact O-N 3.07Å; H3409-E3412 IonicContact ND1-OE2 3.83Å; H3409-Q3512 PolarHBondContact CD2-NE2 2.98Å; H3409-Q3512 PolarHBondContact CE1-NE2 2.93Å; H3409-Q3512 PolarHBondContact NE2-NE2 3.2Å
3410E34.1Very low35.8Very low104 Ų10496.7 Ų96.749%0.48654%0.537SS..G310 helixtrans-86.7-24.3171.9-76.1-166.515400113.8R2775 N3407 D3408 E3412 K3413R2775-E3410 VanDerWaalsContact CD-OE1 3.29Å; R2775-E3410 WeakPolarHBondContact CD-OE1 3.4Å; R2775-E3410 IonicContact CZ-OE1 3.43Å; R2775-E3410 IonicContact NE-OE1 3.42Å; R2775-E3410 IonicContact NH1-OE1 2.72Å; R2775-E3410 PolarHBondContact NH1-OE1 3.47Å; N3407-E3410 PolarHBondContact O-N 3.19Å; D3408-E3410 VanDerWaalsContact C-N 3.28Å; D3408-E3410 PolarHBondContact O-N 3.16Å; E3410-E3412 VanDerWaalsContact C-N 3.3Å; E3410-E3412 PolarHBondContact O-N 2.83Å; E3410-K3413 PolarHBondContact O-N 2.77Å
3411L34.5Very low34.5Very low96.5 Ų96.5103.4 Ų103.451%0.50557%0.571SS.*G310 helixtrans-68.9-37.6-174.5-125.390.9000112.2D3408 K3413 C3414 Y3415D3408-L3411 PolarHBondContact O-N 2.93Å; L3411-K3413 VanDerWaalsContact C-N 3.3Å; L3411-K3413 PolarHBondContact O-N 3.16Å; L3411-K3413 VanDerWaalsContact O-N 3.12Å; L3411-C3414 PolarHBondContact O-N 3.05Å; L3411-C3414 VanDerWaalsContact O-N 3.15Å; L3411-Y3415 HydrophobicContact CB-CD2 4.48Å; L3411-Y3415 HydrophobicContact CB-CE2 3.93Å; L3411-Y3415 HydrophobicContact CD2-CE2 3.96Å; L3411-Y3415 HydrophobicContact CG-CE2 4.14Å; L3411-Y3415 WeakPolarHBondContact O-CD2 3.38Å; L3411-Y3415 WeakPolarHBondContact O-CE2 3.27Å; L3411-Y3415 PolarHBondContact O-N 2.89Å
3412E32Very low33.1Very low135.5 Ų135.5107.6 Ų107.663%0.63359%0.593SS**G310 helixtrans-61.5-25.5-179.9-123.6179.7178.500114.2H3409 E3410 Y3415 S3416H3409-E3412 IonicContact ND1-OE2 3.83Å; E3410-E3412 VanDerWaalsContact C-N 3.3Å; E3410-E3412 PolarHBondContact O-N 2.83Å; E3412-Y3415 PolarHBondContact O-N 2.8Å; E3412-S3416 PolarHBondContact O-OG 2.59Å
3413K32.8Very low32.4Very low175 Ų175113.6 Ų113.676%0.76163%0.625SS**G310 helixtrans-81.2-17.7176.7-84.2-174.7174.7-179.70114.3E3410 L3411E3410-K3413 PolarHBondContact O-N 2.77Å; L3411-K3413 VanDerWaalsContact C-N 3.3Å; L3411-K3413 PolarHBondContact O-N 3.16Å; L3411-K3413 VanDerWaalsContact O-N 3.12Å
3414C27.7Very low31.7Very low96.5 Ų96.5116.4 Ų116.465%0.65265%0.646SS**G310 helixtrans-81.7-23174.6-74.40000112.7L3411 S3416 A3417L3411-C3414 PolarHBondContact O-N 3.05Å; L3411-C3414 VanDerWaalsContact O-N 3.15Å; C3414-S3416 PolarHBondContact O-N 3.28Å; C3414-A3417 PolarHBondContact O-N 2.69Å
3415Y33.3Very low31.3Very low136 Ų136121 Ų12153%0.53367%0.665SS.*G310 helixtrans-78.3-9.5-180-67-70.3000114.6L3411 E3412 S3501 I3502L3411-Y3415 HydrophobicContact CB-CD2 4.48Å; L3411-Y3415 HydrophobicContact CB-CE2 3.93Å; L3411-Y3415 HydrophobicContact CD2-CE2 3.96Å; L3411-Y3415 HydrophobicContact CG-CE2 4.14Å; L3411-Y3415 WeakPolarHBondContact O-CD2 3.38Å; L3411-Y3415 WeakPolarHBondContact O-CE2 3.27Å; L3411-Y3415 PolarHBondContact O-N 2.89Å; E3412-Y3415 PolarHBondContact O-N 2.8Å; Y3415-S3501 WeakPolarHBondContact OH-CB 3.48Å; Y3415-S3501 PolarHBondContact OH-OG 2.9Å; Y3415-I3502 HydrophobicContact CE1-CG1 4.38Å
3416S30.3Very low31Very low93.5 Ų93.5121.3 Ų121.365%0.65467%0.672SS**THydrogen-bonded Turntrans-94.52.1-177.5-8.10000114.8E3412 C3414E3412-S3416 PolarHBondContact O-OG 2.59Å; C3414-S3416 PolarHBondContact O-N 3.28Å
3417A29.1Very low31Very low83 Ų83126.5 Ų126.569%0.68670%0.695SS**SBendtrans-104.66.3-172.500000115.7C3414C3414-A3417 PolarHBondContact O-N 2.69Å
3418T29.2Very low31Very low125 Ų125128.4 Ų128.477%0.76771%0.705SS**SBendtrans-120.534.1-173.253.10000114
3419S27.5Very low30.9Very low112.5 Ų112.5129.8 Ų129.879%0.78771%0.713SS**SBendtrans-10851.3172.561.50000112.7
3420S29.1Very low30.8Very low107 Ų107127.6 Ų127.675%0.74871%0.709SS**SBendtrans-165.8121.6156.150.10000111.9
3421L29.6Very low31Very low159 Ų159126.7 Ų126.783%0.83271%0.707SS**  trans0.6135.6152-143.666.5000114.9
3422D27.3Very low31.2Very low132 Ų132125.1 Ų125.171%0.70670%0.697SS**  trans52.995.7156.9-56.7-25.7000118.4
3423N31.6Very low31.7Very low159 Ų159121.7 Ų121.785%0.8569%0.687SS**  177.6139.3114.4-96.3-57.8000113.4K3425N3423-K3425 PolarHBondContact O-N 2.82Å
3424S27.2Very low32.1Very low109 Ų109115.8 Ų115.876%0.76267%0.666SS**  trans-32.5125.7160.3-179.70000114.7
3425K31.9Very low32.7Very low192 Ų192113.7 Ų113.784%0.83565%0.648SS**  trans140.477.8161.4-77.6169.3-176178.70113.8N3423 I3427N3423-K3425 PolarHBondContact O-N 2.82Å; K3425-I3427 PolarHBondContact O-N 2.75Å
3426T28.4Very low33.2Very low133 Ų133108.3 Ų108.382%0.81663%0.63SS**  trans-94.2100.2163.242.70000111
3427I30.8Very low33.9Very low148.5 Ų148.5106 Ų10676%0.76261%0.611SS**  trans-119.1126.3171.7-53.1178000106.7K3425 N3429K3425-I3427 PolarHBondContact O-N 2.75Å; I3427-N3429 PolarHBondContact O-N 3.22Å
3428N31.6Very low34.4Very low139 Ų139103.7 Ų103.774%0.74359%0.588SS**SBendtrans0.983.4177.8-59.1-11.1000112.3
3429N34Very low35.1Very low152 Ų15299.4 Ų99.481%0.81356%0.559SS**  trans-147.975.7155.9-102.3-20.8000108.1I3427I3427-N3429 PolarHBondContact O-N 3.22Å
3430V34.8Very low36.1Very low91 Ų9195.1 Ų95.155%0.55253%0.529SS*.  trans-94.7126175.4-178.90000108.2F3432 L3435V3430-F3432 HydrophobicContact CG1-CD2 4.32Å; V3430-F3432 WeakPolarHBondContact O-CD2 3.13Å; V3430-F3432 PolarHBondContact O-N 3.24Å; V3430-L3435 HydrophobicContact CB-CD1 4.47Å; V3430-L3435 HydrophobicContact CG1-CD1 3.93Å; V3430-L3435 HydrophobicContact CG1-CG 4.29Å
3431D38.1Very low36.6Very low85 Ų8591.2 Ų91.246%0.45550%0.503SS..  trans-73.5110.9177.6-150.1-33.6000110.5K2780 S3433 V3434 L3435K2780-D3431 WeakPolarHBondContact CE-OD2 3.46Å; K2780-D3431 IonicContact NZ-OD2 3.78Å; K2780-D3431 PolarHBondContact NZ-OD2 3.5Å; D3431-S3433 PolarHBondContact O-N 3.15Å; D3431-S3433 VanDerWaalsContact OD1-CB 3.32Å; D3431-S3433 WeakPolarHBondContact OD1-CB 3.1Å; D3431-S3433 PolarHBondContact OD1-N 3.13Å; D3431-S3433 PolarHBondContact OD1-OG 3.22Å; D3431-V3434 HydrophobicContact CB-CG2 4.5Å; D3431-V3434 WeakPolarHBondContact O-CB 3.43Å; D3431-V3434 WeakPolarHBondContact O-CG2 3.35Å; D3431-V3434 PolarHBondContact O-N 3.01Å; D3431-L3435 PolarHBondContact O-N 3.37Å
3432F38.8Very low37.1Very low64.5 Ų64.587.7 Ų87.728%0.28348%0.481SS..Hα-helixtrans-86.76.6-166.1-103.1-79.9000115.4Q2859 K2862 L2863 V3430 L3435 S3436Q2859-F3432 HydrophobicContact CG-CD1 4.1Å; Q2859-F3432 HydrophobicContact CG-CD2 3.78Å; Q2859-F3432 HydrophobicContact CG-CE1 4.01Å; Q2859-F3432 HydrophobicContact CG-CE2 3.31Å; Q2859-F3432 HydrophobicContact CG-CG 4.25Å; Q2859-F3432 HydrophobicContact CG-CZ 3.46Å; Q2859-F3432 VanDerWaalsContact CG-CZ 3.46Å; K2862-F3432 PolarHBondContact NZ-O 3.26Å; K2862-F3432 VanDerWaalsContact NZ-O 3.1Å; L2863-F3432 HydrophobicContact CD1-CZ 4.05Å; L2863-F3432 HydrophobicContact CD2-CE1 3.83Å; L2863-F3432 HydrophobicContact CD2-CZ 4.04Å; L2863-F3432 HydrophobicContact CG-CE1 4.14Å; L2863-F3432 HydrophobicContact CG-CZ 4.09Å; V3430-F3432 HydrophobicContact CG1-CD2 4.32Å; V3430-F3432 WeakPolarHBondContact O-CD2 3.13Å; V3430-F3432 PolarHBondContact O-N 3.24Å; F3432-L3435 HydrophobicContact CD1-CB 3.81Å; F3432-L3435 HydrophobicContact CD1-CD1 3.71Å; F3432-L3435 VanDerWaalsContact CD1-CD1 3.49Å; F3432-L3435 HydrophobicContact CD1-CG 4.37Å; F3432-L3435 HydrophobicContact CD2-CD1 4.22Å; F3432-L3435 HydrophobicContact CE1-CB 3.94Å; F3432-L3435 VanDerWaalsContact CE1-CB 3.41Å; F3432-L3435 HydrophobicContact CE1-CD1 3.32Å; F3432-L3435 VanDerWaalsContact CE1-CD1 3.42Å; F3432-L3435 HydrophobicContact CE1-CG 3.89Å; F3432-L3435 HydrophobicContact CE2-CD1 3.59Å; F3432-L3435 HydrophobicContact CG-CD1 4.28Å; F3432-L3435 HydrophobicContact CZ-CB 4.22Å; F3432-L3435 HydrophobicContact CZ-CD1 3.55Å; F3432-L3435 HydrophobicContact CZ-CG 4.2Å; F3432-S3436 WeakPolarHBondContact O-CB 3.43Å; F3432-S3436 PolarHBondContact O-N 3.12Å
3433S41.6Very low38Very low62.5 Ų62.583.2 Ų83.244%0.43746%0.456SS..Hα-helixtrans-65.5-35.4159.160.20000110.7D3431 L3435 S3436 D3437D3431-S3433 PolarHBondContact O-N 3.15Å; D3431-S3433 VanDerWaalsContact OD1-CB 3.32Å; D3431-S3433 WeakPolarHBondContact OD1-CB 3.1Å; D3431-S3433 PolarHBondContact OD1-N 3.13Å; D3431-S3433 PolarHBondContact OD1-OG 3.22Å; S3433-L3435 PolarHBondContact O-N 2.95Å; S3433-S3436 WeakPolarHBondContact O-CB 3.16Å; S3433-S3436 PolarHBondContact O-N 3.15Å; S3433-D3437 PolarHBondContact O-N 3.41Å
3434V42Very low38.4Very low51 Ų5178.9 Ų78.931%0.30943%0.433SS..Hα-helixtrans-72.7-27.6-175.7-177.90000112.4D3431 S3436 D3437 V3438 Y3496 C3498D3431-V3434 HydrophobicContact CB-CG2 4.5Å; D3431-V3434 WeakPolarHBondContact O-CB 3.43Å; D3431-V3434 WeakPolarHBondContact O-CG2 3.35Å; D3431-V3434 PolarHBondContact O-N 3.01Å; V3434-S3436 PolarHBondContact O-N 2.91Å; V3434-D3437 PolarHBondContact O-N 2.81Å; V3434-D3437 VanDerWaalsContact O-N 3.09Å; V3434-V3438 HydrophobicContact CG1-CG2 3.95Å; V3434-V3438 WeakPolarHBondContact O-CB 3.46Å; V3434-V3438 WeakPolarHBondContact O-CG2 3.44Å; V3434-V3438 PolarHBondContact O-N 3.21Å; V3434-Y3496 HydrophobicContact CG1-CE2 4.39Å; V3434-C3498 HydrophobicContact CG1-CB 4.18Å
3435L40.1Very low39.2Very low54 Ų5477 Ų7728%0.28342%0.417SS..Hα-helixtrans-84.1-16.5178.8-82.9162.8000114.6L2863 V3430 D3431 F3432 S3433 D3437 V3438 E3439L2863-L3435 HydrophobicContact CD2-CB 4.22Å; L2863-L3435 HydrophobicContact CD2-CD1 4.34Å; L2863-L3435 HydrophobicContact CD2-CD2 4.32Å; V3430-L3435 HydrophobicContact CB-CD1 4.47Å; V3430-L3435 HydrophobicContact CG1-CD1 3.93Å; V3430-L3435 HydrophobicContact CG1-CG 4.29Å; D3431-L3435 PolarHBondContact O-N 3.37Å; F3432-L3435 HydrophobicContact CD1-CB 3.81Å; F3432-L3435 HydrophobicContact CD1-CD1 3.71Å; F3432-L3435 VanDerWaalsContact CD1-CD1 3.49Å; F3432-L3435 HydrophobicContact CD1-CG 4.37Å; F3432-L3435 HydrophobicContact CD2-CD1 4.22Å; F3432-L3435 HydrophobicContact CE1-CB 3.94Å; F3432-L3435 VanDerWaalsContact CE1-CB 3.41Å; F3432-L3435 HydrophobicContact CE1-CD1 3.32Å; F3432-L3435 VanDerWaalsContact CE1-CD1 3.42Å; F3432-L3435 HydrophobicContact CE1-CG 3.89Å; F3432-L3435 HydrophobicContact CE2-CD1 3.59Å; F3432-L3435 HydrophobicContact CG-CD1 4.28Å; F3432-L3435 HydrophobicContact CZ-CB 4.22Å; F3432-L3435 HydrophobicContact CZ-CD1 3.55Å; F3432-L3435 HydrophobicContact CZ-CG 4.2Å; S3433-L3435 PolarHBondContact O-N 2.95Å; L3435-D3437 VanDerWaalsContact C-N 3.29Å; L3435-D3437 PolarHBondContact O-N 3.13Å; L3435-V3438 HydrophobicContact CD2-CB 4.13Å; L3435-V3438 HydrophobicContact CD2-CG1 4.13Å; L3435-V3438 HydrophobicContact CD2-CG2 4.01Å; L3435-V3438 HydrophobicContact CG-CG2 4.45Å; L3435-V3438 WeakPolarHBondContact O-CB 3.16Å; L3435-E3439 WeakPolarHBondContact O-CB 3.21Å; L3435-E3439 PolarHBondContact O-N 2.95Å
3436S43.9Very low39.5Very low21 Ų2172.1 Ų72.115%0.14740%0.399CS..Hα-helixtrans-81.9-22.6179.8-166.20000114.4K2862 Q2866 K2871 F3432 S3433 V3434 S3440K2862-S3436 PolarHBondContact NZ-OG 2.82Å; Q2866-S3436 VanDerWaalsContact NE2-CA 3.29Å; Q2866-S3436 PolarHBondContact NE2-OG 2.91Å; K2871-S3436 PolarHBondContact NZ-OG 2.78Å; F3432-S3436 WeakPolarHBondContact O-CB 3.43Å; F3432-S3436 PolarHBondContact O-N 3.12Å; S3433-S3436 WeakPolarHBondContact O-CB 3.16Å; S3433-S3436 PolarHBondContact O-N 3.15Å; V3434-S3436 PolarHBondContact O-N 2.91Å; S3436-S3440 WeakPolarHBondContact O-CB 3.15Å; S3436-S3440 PolarHBondContact O-N 3.42Å
3437D44.7Very low40.2Very low47 Ų4772.6 Ų72.625%0.25139%0.387SS..Hα-helixtrans-87.2-29.4168.2-75.7-26.2000111.9S3433 V3434 L3435 E3439 S3440 A3441 R3494S3433-D3437 PolarHBondContact O-N 3.41Å; V3434-D3437 PolarHBondContact O-N 2.81Å; V3434-D3437 VanDerWaalsContact O-N 3.09Å; L3435-D3437 VanDerWaalsContact C-N 3.29Å; L3435-D3437 PolarHBondContact O-N 3.13Å; D3437-E3439 VanDerWaalsContact C-N 3.29Å; D3437-E3439 PolarHBondContact O-N 2.9Å; D3437-S3440 PolarHBondContact O-N 3.46Å; D3437-S3440 VanDerWaalsContact O-N 3.07Å; D3437-A3441 VanDerWaalsContact O-CB 3.27Å; D3437-A3441 WeakPolarHBondContact O-CB 3.23Å; D3437-A3441 PolarHBondContact O-N 2.97Å; D3437-R3494 IonicContact OD1-CZ 3.76Å; D3437-R3494 IonicContact OD1-NH1 3.41Å; D3437-R3494 PolarHBondContact OD1-NH1 2.77Å; D3437-R3494 IonicContact OD1-NH2 2.89Å; D3437-R3494 IonicContact OD2-CZ 3.51Å; D3437-R3494 IonicContact OD2-NE 3.36Å; D3437-R3494 IonicContact OD2-NH1 2.61Å; D3437-R3494 PolarHBondContact OD2-NH1 2.86Å
3438V40.6Very low40.6Very low33.5 Ų33.566.8 Ų66.820%0.20336%0.364CS..Hα-helixtrans-56.3-34.9170.1179.40000110.1V3434 L3435 A3441 F3442 Y3492 L3495V3434-V3438 HydrophobicContact CG1-CG2 3.95Å; V3434-V3438 WeakPolarHBondContact O-CB 3.46Å; V3434-V3438 WeakPolarHBondContact O-CG2 3.44Å; V3434-V3438 PolarHBondContact O-N 3.21Å; L3435-V3438 HydrophobicContact CD2-CB 4.13Å; L3435-V3438 HydrophobicContact CD2-CG1 4.13Å; L3435-V3438 HydrophobicContact CD2-CG2 4.01Å; L3435-V3438 HydrophobicContact CG-CG2 4.45Å; L3435-V3438 WeakPolarHBondContact O-CB 3.16Å; V3438-A3441 CarbonylContact O-C 3.41Å; V3438-A3441 WeakPolarHBondContact O-CB 3.3Å; V3438-A3441 PolarHBondContact O-N 3.35Å; V3438-F3442 WeakPolarHBondContact O-CB 3.37Å; V3438-F3442 PolarHBondContact O-N 3.08Å; V3438-Y3492 WeakPolarHBondContact CG2-OH 3.13Å; V3438-L3495 HydrophobicContact CB-CG 4.38Å; V3438-L3495 HydrophobicContact CG2-CD1 4.37Å; V3438-L3495 HydrophobicContact CG2-CD2 3.74Å; V3438-L3495 HydrophobicContact CG2-CG 3.77Å
3439E44.2Very low41Very low35 Ų3567.8 Ų67.816%0.16436%0.358CS..Hα-helixtrans-77.3-41.3177-164.666.8-141.600113.3L2863 Q2866 L2867 L3435 D3437 A3441 F3442 Q3443L2863-E3439 HydrophobicContact CD2-CB 4.2Å; L2863-E3439 HydrophobicContact CD2-CG 3.73Å; Q2866-E3439 HydrophobicContact CB-CB 4.26Å; Q2866-E3439 HydrophobicContact CB-CG 3.81Å; Q2866-E3439 VanDerWaalsContact CB-OE2 3.28Å; Q2866-E3439 WeakPolarHBondContact CB-OE2 3.34Å; Q2866-E3439 VanDerWaalsContact O-CG 3.31Å; Q2866-E3439 WeakPolarHBondContact O-CG 3.36Å; L2867-E3439 WeakPolarHBondContact CA-OE1 3.09Å; L2867-E3439 PolarHBondContact N-OE2 3.19Å; L3435-E3439 WeakPolarHBondContact O-CB 3.21Å; L3435-E3439 PolarHBondContact O-N 2.95Å; D3437-E3439 VanDerWaalsContact C-N 3.29Å; D3437-E3439 PolarHBondContact O-N 2.9Å; E3439-A3441 PolarHBondContact O-N 2.87Å; E3439-F3442 CarbonylContact O-C 3.53Å; E3439-F3442 PolarHBondContact O-N 2.9Å; E3439-Q3443 HydrophobicContact CG-CG 4.3Å; E3439-Q3443 WeakPolarHBondContact O-CB 3.45Å; E3439-Q3443 VanDerWaalsContact O-CG 3.3Å; E3439-Q3443 WeakPolarHBondContact O-CG 3.4Å; E3439-Q3443 PolarHBondContact O-N 2.98Å; E3439-Q3443 PolarHBondContact OE1-NE2 2.84Å
3440S46.9Very low41.3Very low22.5 Ų22.563.5 Ų63.516%0.15734%0.34CS..Hα-helixtrans-60.4-29172.6-119.30000111.5S3436 D3437 N3444 Q3491 N3523S3436-S3440 WeakPolarHBondContact O-CB 3.15Å; S3436-S3440 PolarHBondContact O-N 3.42Å; D3437-S3440 PolarHBondContact O-N 3.46Å; D3437-S3440 VanDerWaalsContact O-N 3.07Å; S3440-N3444 PolarHBondContact O-ND2 3.01Å; S3440-Q3491 PolarHBondContact O-OE1 3.27Å; S3440-Q3491 PolarHBondContact OG-NE2 2.92Å; S3440-Q3491 PolarHBondContact OG-OE1 3.26Å; S3440-N3523 VanDerWaalsContact CB-ND2 3.33Å; S3440-N3523 WeakPolarHBondContact CB-ND2 3.32Å; S3440-N3523 PolarHBondContact OG-ND2 3.31Å
3441A40.2Very low41.5Very low25 Ų2565.6 Ų65.621%0.20734%0.339CS..Hα-helixtrans-77.7-31.3173.500000114.3D3437 V3438 E3439 Q3443 N3444 V3445 F3486 L3495D3437-A3441 VanDerWaalsContact O-CB 3.27Å; D3437-A3441 WeakPolarHBondContact O-CB 3.23Å; D3437-A3441 PolarHBondContact O-N 2.97Å; V3438-A3441 CarbonylContact O-C 3.41Å; V3438-A3441 WeakPolarHBondContact O-CB 3.3Å; V3438-A3441 PolarHBondContact O-N 3.35Å; E3439-A3441 PolarHBondContact O-N 2.87Å; A3441-Q3443 VanDerWaalsContact C-N 3.33Å; A3441-Q3443 PolarHBondContact O-N 3.2Å; A3441-N3444 WeakPolarHBondContact O-CB 3.28Å; A3441-N3444 PolarHBondContact O-N 2.94Å; A3441-V3445 WeakPolarHBondContact O-CG2 3.09Å; A3441-V3445 PolarHBondContact O-N 3.5Å; A3441-V3445 VanDerWaalsContact O-N 3.13Å; A3441-F3486 HydrophobicContact CB-CD2 4.43Å; A3441-F3486 HydrophobicContact CB-CE2 3.26Å; A3441-F3486 HydrophobicContact CB-CZ 3.49Å; A3441-F3486 VanDerWaalsContact CB-CZ 3.49Å; A3441-L3495 HydrophobicContact CB-CD1 3.52Å
3442F40.8Very low41.6Very low84.5 Ų84.566.3 Ų66.337%0.37134%0.343SS..Hα-helixtrans-77.2-34.4175.8-139.5-87.7000111.7V3438 E3439 N3444 V3445 L3446 L3483 L3487V3438-F3442 WeakPolarHBondContact O-CB 3.37Å; V3438-F3442 PolarHBondContact O-N 3.08Å; E3439-F3442 CarbonylContact O-C 3.53Å; E3439-F3442 PolarHBondContact O-N 2.9Å; F3442-N3444 PolarHBondContact O-N 2.88Å; F3442-V3445 WeakPolarHBondContact O-CB 3.34Å; F3442-V3445 PolarHBondContact O-N 3.01Å; F3442-L3446 HydrophobicContact CD1-CD1 4.01Å; F3442-L3446 HydrophobicContact CD1-CD2 4.48Å; F3442-L3446 HydrophobicContact CD1-CG 3.8Å; F3442-L3446 HydrophobicContact CE1-CD1 4.08Å; F3442-L3446 HydrophobicContact CE1-CD2 4.36Å; F3442-L3446 HydrophobicContact CE1-CG 4.17Å; F3442-L3446 VanDerWaalsContact O-CB 3.27Å; F3442-L3446 WeakPolarHBondContact O-CB 3.31Å; F3442-L3446 VanDerWaalsContact O-CG 3.3Å; F3442-L3446 WeakPolarHBondContact O-CG 3.12Å; F3442-L3446 PolarHBondContact O-N 3.44Å; F3442-L3483 HydrophobicContact CD1-CD2 4.21Å; F3442-L3483 HydrophobicContact CD2-CD1 4.43Å; F3442-L3483 HydrophobicContact CD2-CD2 4.25Å; F3442-L3483 HydrophobicContact CD2-CG 4.32Å; F3442-L3483 HydrophobicContact CE1-CD2 3.34Å; F3442-L3483 HydrophobicContact CE1-CG 4.28Å; F3442-L3483 HydrophobicContact CE2-CD1 3.93Å; F3442-L3483 HydrophobicContact CE2-CD2 3.41Å; F3442-L3483 VanDerWaalsContact CE2-CD2 3.41Å; F3442-L3483 HydrophobicContact CE2-CG 3.39Å; F3442-L3483 HydrophobicContact CZ-CD1 4.3Å; F3442-L3483 HydrophobicContact CZ-CD2 2.91Å; F3442-L3483 HydrophobicContact CZ-CG 3.42Å; F3442-L3483 VanDerWaalsContact CZ-CG 3.42Å; F3442-L3487 HydrophobicContact CD2-CD1 4.06Å; F3442-L3487 HydrophobicContact CE2-CD1 3.72Å
3443Q46Very low41.6Very low38 Ų3870.1 Ų70.118%0.17836%0.359CS..THydrogen-bonded Turntrans-79.4-9.1-179.2-75.5-65.9-25.900113.1E3439 A3441 V3445 L3446 Y3447E3439-Q3443 HydrophobicContact CG-CG 4.3Å; E3439-Q3443 WeakPolarHBondContact O-CB 3.45Å; E3439-Q3443 VanDerWaalsContact O-CG 3.3Å; E3439-Q3443 WeakPolarHBondContact O-CG 3.4Å; E3439-Q3443 PolarHBondContact O-N 2.98Å; E3439-Q3443 PolarHBondContact OE1-NE2 2.84Å; A3441-Q3443 VanDerWaalsContact C-N 3.33Å; A3441-Q3443 PolarHBondContact O-N 3.2Å; Q3443-V3445 VanDerWaalsContact C-N 3.34Å; Q3443-V3445 PolarHBondContact O-N 3.37Å; Q3443-L3446 PolarHBondContact O-N 3.24Å; Q3443-L3446 VanDerWaalsContact O-N 3.14Å; Q3443-Y3447 WeakPolarHBondContact O-CD2 3.28Å; Q3443-Y3447 PolarHBondContact O-N 3.39Å
3444N40.5Very low41.6Very low69 Ų6971.6 Ų71.637%0.36936%0.362SS..Hα-helixtrans-84.1-37.3153-88.2-58.3000111S3440 A3441 F3442 L3446 Y3447 G3448 F3481 F3486 Q3491 N3525S3440-N3444 PolarHBondContact O-ND2 3.01Å; A3441-N3444 WeakPolarHBondContact O-CB 3.28Å; A3441-N3444 PolarHBondContact O-N 2.94Å; F3442-N3444 PolarHBondContact O-N 2.88Å; N3444-L3446 PolarHBondContact O-N 2.82Å; N3444-Y3447 PolarHBondContact O-N 3.12Å; N3444-Y3447 VanDerWaalsContact O-N 3.15Å; N3444-G3448 PolarHBondContact O-N 2.94Å; N3444-F3481 VanDerWaalsContact C-CE2 3.45Å; N3444-F3481 HydrophobicContact CB-CE2 3.64Å; N3444-F3481 HydrophobicContact CB-CZ 3.8Å; N3444-F3481 WeakPolarHBondContact O-CD2 3.41Å; N3444-F3481 WeakPolarHBondContact O-CE1 3.33Å; N3444-F3481 WeakPolarHBondContact O-CE2 3.41Å; N3444-F3481 WeakPolarHBondContact O-CZ 3.46Å; N3444-F3486 HydrophobicContact CB-CB 3.98Å; N3444-F3486 HydrophobicContact CB-CD2 3.61Å; N3444-F3486 HydrophobicContact CB-CE2 4.39Å; N3444-F3486 HydrophobicContact CB-CG 3.74Å; N3444-Q3491 PolarHBondContact ND2-OE1 2.92Å; N3444-N3525 PolarHBondContact ND2-OD1 2.75Å
3445V42.5Very low41.6Very low69.5 Ų69.573.4 Ų73.442%0.42137%0.367SS..Hα-helixtrans-60.7-31.7-173.9170.70000112.9A3441 F3442 Q3443 Y3449 F3486A3441-V3445 WeakPolarHBondContact O-CG2 3.09Å; A3441-V3445 PolarHBondContact O-N 3.5Å; A3441-V3445 VanDerWaalsContact O-N 3.13Å; F3442-V3445 WeakPolarHBondContact O-CB 3.34Å; F3442-V3445 PolarHBondContact O-N 3.01Å; Q3443-V3445 VanDerWaalsContact C-N 3.34Å; Q3443-V3445 PolarHBondContact O-N 3.37Å; V3445-Y3449 WeakPolarHBondContact O-CB 3.38Å; V3445-Y3449 PolarHBondContact O-N 3.22Å; V3445-F3486 HydrophobicContact CG2-CD1 3.8Å; V3445-F3486 HydrophobicContact CG2-CE1 3.44Å; V3445-F3486 VanDerWaalsContact CG2-CE1 3.44Å; V3445-F3486 HydrophobicContact CG2-CZ 4.11Å
3446L39Very low41.5Very low89.5 Ų89.576.7 Ų76.747%0.46938%0.384SS..Hα-helixtrans-87.9-34.4177.1-85.7158.4000114.2F3442 Q3443 N3444 G3448 Y3449 S3450 L3483F3442-L3446 HydrophobicContact CD1-CD1 4.01Å; F3442-L3446 HydrophobicContact CD1-CD2 4.48Å; F3442-L3446 HydrophobicContact CD1-CG 3.8Å; F3442-L3446 HydrophobicContact CE1-CD1 4.08Å; F3442-L3446 HydrophobicContact CE1-CD2 4.36Å; F3442-L3446 HydrophobicContact CE1-CG 4.17Å; F3442-L3446 VanDerWaalsContact O-CB 3.27Å; F3442-L3446 WeakPolarHBondContact O-CB 3.31Å; F3442-L3446 VanDerWaalsContact O-CG 3.3Å; F3442-L3446 WeakPolarHBondContact O-CG 3.12Å; F3442-L3446 PolarHBondContact O-N 3.44Å; Q3443-L3446 PolarHBondContact O-N 3.24Å; Q3443-L3446 VanDerWaalsContact O-N 3.14Å; N3444-L3446 PolarHBondContact O-N 2.82Å; L3446-G3448 VanDerWaalsContact C-N 3.32Å; L3446-G3448 PolarHBondContact O-N 2.82Å; L3446-Y3449 WeakPolarHBondContact O-CB 3.45Å; L3446-Y3449 PolarHBondContact O-N 3.18Å; L3446-Y3449 VanDerWaalsContact O-N 3.15Å; L3446-S3450 WeakPolarHBondContact O-CB 3.48Å; L3446-S3450 PolarHBondContact O-N 3.38Å; L3446-L3483 HydrophobicContact CD1-CD2 4.22Å
3447Y43.1Very low41.2Very low143.5 Ų143.579.3 Ų79.356%0.56340%0.399SS*.THydrogen-bonded Turntrans-76.8-25.5-174.5-87.2-81.6000113.5L2867 Q3443 N3444 Y3449 S3450 Y3451L2867-Y3447 PolarHBondContact O-OH 3.34Å; Q3443-Y3447 WeakPolarHBondContact O-CD2 3.28Å; Q3443-Y3447 PolarHBondContact O-N 3.39Å; N3444-Y3447 PolarHBondContact O-N 3.12Å; N3444-Y3447 VanDerWaalsContact O-N 3.15Å; Y3447-Y3449 PolarHBondContact O-N 2.96Å; Y3447-S3450 PolarHBondContact O-N 2.83Å; Y3447-S3450 PolarHBondContact O-OG 2.95Å; Y3447-Y3451 PolarHBondContact O-N 3.25Å
3448G39.6Very low41Very low26 Ų2681.1 Ų81.127%0.26842%0.416SS..Hα-helixtrans-71.6-30.9163.700000113.9N3444 L3446 S3450 Y3451 L3452N3444-G3448 PolarHBondContact O-N 2.94Å; L3446-G3448 VanDerWaalsContact C-N 3.32Å; L3446-G3448 PolarHBondContact O-N 2.82Å; G3448-S3450 VanDerWaalsContact C-N 3.27Å; G3448-S3450 PolarHBondContact O-N 3.03Å; G3448-Y3451 PolarHBondContact O-N 3.46Å; G3448-L3452 WeakPolarHBondContact O-CB 3.25Å; G3448-L3452 PolarHBondContact O-N 3.48Å
3449Y39.6Very low41.1Very low159 Ų15985.7 Ų85.762%0.62444%0.438SS*.Hα-helixtrans-72.8-22.7-175.5-139.3-88.1000113.1V3445 L3446 Y3447 K3453V3445-Y3449 WeakPolarHBondContact O-CB 3.38Å; V3445-Y3449 PolarHBondContact O-N 3.22Å; L3446-Y3449 WeakPolarHBondContact O-CB 3.45Å; L3446-Y3449 PolarHBondContact O-N 3.18Å; L3446-Y3449 VanDerWaalsContact O-N 3.15Å; Y3447-Y3449 PolarHBondContact O-N 2.96Å; Y3449-K3453 WeakPolarHBondContact O-CB 3.49Å; Y3449-K3453 PolarHBondContact O-N 2.95Å
3450S39.3Very low40.8Very low63 Ų6389.3 Ų89.344%0.44146%0.462SS..Hα-helixtrans-79.9-32.2176.176.50000113.5L3446 Y3447 G3448 L3452 K3453 N3454L3446-S3450 WeakPolarHBondContact O-CB 3.48Å; L3446-S3450 PolarHBondContact O-N 3.38Å; Y3447-S3450 PolarHBondContact O-N 2.83Å; Y3447-S3450 PolarHBondContact O-OG 2.95Å; G3448-S3450 VanDerWaalsContact C-N 3.27Å; G3448-S3450 PolarHBondContact O-N 3.03Å; S3450-L3452 PolarHBondContact O-N 2.87Å; S3450-K3453 PolarHBondContact O-N 3.15Å; S3450-N3454 PolarHBondContact O-N 2.86Å; S3450-N3454 VanDerWaalsContact O-N 3.1Å; S3450-N3454 PolarHBondContact O-ND2 3.05Å
3451Y40.1Very low40.3Very low135 Ų13593.8 Ų93.853%0.52949%0.489SS..Hα-helixtrans-63.2-41.2169.3-172.7-92.7000110.8Y3447 G3448 K3453 N3454 Q3455Y3447-Y3451 PolarHBondContact O-N 3.25Å; G3448-Y3451 PolarHBondContact O-N 3.46Å; Y3451-K3453 VanDerWaalsContact C-N 3.31Å; Y3451-K3453 PolarHBondContact O-N 3.15Å; Y3451-N3454 PolarHBondContact O-N 2.68Å; Y3451-Q3455 HydrophobicContact CE1-CG 4.49Å; Y3451-Q3455 VanDerWaalsContact CE1-NE2 3.26Å; Y3451-Q3455 VanDerWaalsContact CZ-NE2 3.33Å; Y3451-Q3455 PolarHBondContact O-N 3.17Å; Y3451-Q3455 PolarHBondContact OH-NE2 3.21Å
3452L39.7Very low40.3Very low100 Ų10097.6 Ų97.652%0.52451%0.514SS..Hα-helixtrans-71.9-29.1-177.6-129.7113.5000114G3448 S3450 Q3455 L3456G3448-L3452 WeakPolarHBondContact O-CB 3.25Å; G3448-L3452 PolarHBondContact O-N 3.48Å; S3450-L3452 PolarHBondContact O-N 2.87Å; L3452-Q3455 PolarHBondContact O-N 3.5Å; L3452-L3456 PolarHBondContact O-N 2.88Å
3453K39.3Very low40.1Very low144.5 Ų144.599.5 Ų99.563%0.62853%0.533SS*.Hα-helixtrans-80.3-32.9177.1-167.4173.1-177.4178.20113.3Y3449 S3450 Y3451 L3456 T3457Y3449-K3453 WeakPolarHBondContact O-CB 3.49Å; Y3449-K3453 PolarHBondContact O-N 2.95Å; S3450-K3453 PolarHBondContact O-N 3.15Å; Y3451-K3453 VanDerWaalsContact C-N 3.31Å; Y3451-K3453 PolarHBondContact O-N 3.15Å; K3453-L3456 PolarHBondContact O-N 3.35Å; K3453-T3457 WeakPolarHBondContact O-CG2 3.34Å; K3453-T3457 PolarHBondContact O-N 2.92Å; K3453-T3457 PolarHBondContact O-OG1 3.4Å; K3453-T3457 VanDerWaalsContact O-OG1 3.12Å
3454N41.3Very low39.7Very low93 Ų93103.5 Ų103.550%0.49756%0.56SS.*Hα-helixtrans-78.1-25.8-178.6-74.1-16.2000113.8S3450 Y3451 T3457 S3458S3450-N3454 PolarHBondContact O-N 2.86Å; S3450-N3454 VanDerWaalsContact O-N 3.1Å; S3450-N3454 PolarHBondContact O-ND2 3.05Å; Y3451-N3454 PolarHBondContact O-N 2.68Å; N3454-T3457 PolarHBondContact O-OG1 3.47Å; N3454-S3458 PolarHBondContact O-N 3.47Å; N3454-S3458 PolarHBondContact O-OG 3.17Å; N3454-S3458 VanDerWaalsContact O-OG 3.12Å
3455Q42.8Very low39.4Very low89.5 Ų89.5105.7 Ų105.742%0.41858%0.576SS.*Hα-helixtrans-73.1-37.4165.5-72.4-161.512.300112.1Y3451 L3452 T3457 S3458 I3459Y3451-Q3455 HydrophobicContact CE1-CG 4.49Å; Y3451-Q3455 VanDerWaalsContact CE1-NE2 3.26Å; Y3451-Q3455 VanDerWaalsContact CZ-NE2 3.33Å; Y3451-Q3455 PolarHBondContact O-N 3.17Å; Y3451-Q3455 PolarHBondContact OH-NE2 3.21Å; L3452-Q3455 PolarHBondContact O-N 3.5Å; Q3455-T3457 PolarHBondContact O-N 3.04Å; Q3455-S3458 WeakPolarHBondContact O-CB 3.35Å; Q3455-S3458 PolarHBondContact O-N 2.96Å; Q3455-I3459 WeakPolarHBondContact O-CG1 3.25Å; Q3455-I3459 PolarHBondContact O-N 2.88Å; Q3455-I3459 VanDerWaalsContact O-N 3.17Å
3456L36.6Very low39.1Very low122 Ų122109.4 Ų109.464%0.63959%0.594SS**THydrogen-bonded Turntrans-73-29.8-176.4-121.986.4000114.1L3452 K3453 S3458 I3459 T3460L3452-L3456 PolarHBondContact O-N 2.88Å; K3453-L3456 PolarHBondContact O-N 3.35Å; L3456-S3458 VanDerWaalsContact C-N 3.3Å; L3456-S3458 PolarHBondContact O-N 2.99Å; L3456-I3459 PolarHBondContact O-N 3.33Å; L3456-T3460 WeakPolarHBondContact O-CG2 3.47Å; L3456-T3460 PolarHBondContact O-N 2.99Å
3457T38.7Very low39Very low75.5 Ų75.5113.1 Ų113.146%0.46361%0.608SS.*Hα-helixtrans-74.8-25.9174.434.40000112.7K3453 N3454 Q3455 I3459 T3460K3453-T3457 WeakPolarHBondContact O-CG2 3.34Å; K3453-T3457 PolarHBondContact O-N 2.92Å; K3453-T3457 PolarHBondContact O-OG1 3.4Å; K3453-T3457 VanDerWaalsContact O-OG1 3.12Å; N3454-T3457 PolarHBondContact O-OG1 3.47Å; Q3455-T3457 PolarHBondContact O-N 3.04Å; T3457-I3459 VanDerWaalsContact C-N 3.29Å; T3457-I3459 PolarHBondContact O-N 3.31Å; T3457-T3460 WeakPolarHBondContact CA-OG1 3.35Å; T3457-T3460 PolarHBondContact O-N 2.88Å; T3457-T3460 PolarHBondContact O-OG1 3.18Å
3458S41Very low38.5Very low85.5 Ų85.5114.5 Ų114.560%0.59862%0.618SS**Hα-helixtrans-75.2-22178.4-54.90000113.4N3454 Q3455 L3456 T3460N3454-S3458 PolarHBondContact O-N 3.47Å; N3454-S3458 PolarHBondContact O-OG 3.17Å; N3454-S3458 VanDerWaalsContact O-OG 3.12Å; Q3455-S3458 WeakPolarHBondContact O-CB 3.35Å; Q3455-S3458 PolarHBondContact O-N 2.96Å; L3456-S3458 VanDerWaalsContact C-N 3.3Å; L3456-S3458 PolarHBondContact O-N 2.99Å; S3458-T3460 VanDerWaalsContact C-N 3.26Å
3459I41.7Very low38.3Very low129.5 Ų129.5120.2 Ų120.266%0.66464%0.641SS**Hα-helixtrans-84.1-8.4174-60169.2000111Q3455 L3456 T3457 T3461Q3455-I3459 WeakPolarHBondContact O-CG1 3.25Å; Q3455-I3459 PolarHBondContact O-N 2.88Å; Q3455-I3459 VanDerWaalsContact O-N 3.17Å; L3456-I3459 PolarHBondContact O-N 3.33Å; T3457-I3459 VanDerWaalsContact C-N 3.29Å; T3457-I3459 PolarHBondContact O-N 3.31Å; I3459-T3461 VanDerWaalsContact C-N 3.26Å; I3459-T3461 PolarHBondContact O-N 3.09Å; I3459-T3461 VanDerWaalsContact O-N 3.12Å
3460T38.1Very low38Very low111.5 Ų111.5121.4 Ų121.468%0.68465%0.649SS**THydrogen-bonded Turntrans-76.725.9175.152.70000114L3456 T3457 S3458L3456-T3460 WeakPolarHBondContact O-CG2 3.47Å; L3456-T3460 PolarHBondContact O-N 2.99Å; T3457-T3460 WeakPolarHBondContact CA-OG1 3.35Å; T3457-T3460 PolarHBondContact O-N 2.88Å; T3457-T3460 PolarHBondContact O-OG1 3.18Å; S3458-T3460 VanDerWaalsContact C-N 3.26Å
3461T37.3Very low37.5Very low117 Ų117125 Ų12572%0.71866%0.663SS**THydrogen-bonded Turntrans-129.245.6176.750.40000113.5I3459I3459-T3461 VanDerWaalsContact C-N 3.26Å; I3459-T3461 PolarHBondContact O-N 3.09Å; I3459-T3461 VanDerWaalsContact O-N 3.12Å
3462S38.3Very low37Very low104 Ų104127.5 Ų127.573%0.72768%0.68SS**  trans-146.7110156.249.30000112.2
3463T37Very low36.4Very low125 Ų125131.4 Ų131.477%0.76769%0.693SS**  trans-9.7123155.148.60000116.2
3464T37.9Very low36.1Very low122 Ų122129.1 Ų129.175%0.74869%0.687SS**  trans75127.4143.863.70000120.8
3465T35.2Very low35.8Very low115.5 Ų115.5129.6 Ų129.671%0.70970%0.696SS**  trans66.6105.7146.247.40000119.2Q3467T3465-Q3467 VanDerWaalsContact C-N 3.26Å; T3465-Q3467 PolarHBondContact O-N 2.65Å
3466D35.3Very low35.5Very low147.5 Ų147.5130.8 Ų130.879%0.78971%0.705SS**  121.775.168.9-88.6-23.2000117.2
3467Q36.4Very low35.6Very low167 Ų167130.7 Ų130.778%0.7871%0.705SS**  trans-5364.4159.8-64.9-172.8-16.300117.6T3465T3465-Q3467 VanDerWaalsContact C-N 3.26Å; T3465-Q3467 PolarHBondContact O-N 2.65Å
3468F32.7Very low35.4Very low172.5 Ų172.5134.6 Ų134.676%0.75772%0.723SS**  trans-134.848146.7-105.7-87.7000114.6K3470F3468-K3470 PolarHBondContact O-N 2.81Å
3469I36.6Very low35.5Very low146.5 Ų146.5139.2 Ų139.275%0.75174%0.736SS**THydrogen-bonded Turntrans-7.160156.1-62.3178.8000117
3470K31.7Very low35.6Very low183 Ų183140 Ų14080%0.79674%0.736SS**  trans-178.158.6154.3-113.3170.9-169.9-179.80117.3F3468F3468-K3470 PolarHBondContact O-N 2.81Å
3471N28.8Very low35.9Very low139.5 Ų139.5139.1 Ų139.175%0.74672%0.723SS**  trans147.7119.5156-63.9-36.2000115.5
3472Q30.6Very low36.5Very low186.5 Ų186.5137.3 Ų137.387%0.87171%0.709SS**  trans116.578.3147.9-75.5-177-8.700112.6
3473F27Very low36.7Very low181.5 Ų181.5134.7 Ų134.780%0.79669%0.687SS**  trans-112.8124.5159.3-109.4-99000107.9P3475F3473-P3475 HydrophobicContact CD1-CG 3.74Å; F3473-P3475 HydrophobicContact CE1-CG 3.63Å
3474N32Very low36.9Very low96.5 Ų96.5130 Ų13052%0.51666%0.66SS.*  trans-128.2103.6145.2-164.434.8000108.6N3476 D3477N3474-N3476 PolarHBondContact O-N 3.37Å; N3474-N3476 VanDerWaalsContact O-N 3.12Å; N3474-D3477 PolarHBondContact ND2-OD1 3.5Å; N3474-D3477 PolarHBondContact ND2-OD2 2.97Å
3475P36.8Very low37.4Very low103.5 Ų103.5126.7 Ų126.767%0.67264%0.643SS**THydrogen-bonded Turntrans-81.429-175.133.7-34000113.2F3473F3473-P3475 HydrophobicContact CD1-CG 3.74Å; F3473-P3475 HydrophobicContact CE1-CG 3.63Å
3476N35.6Very low38.2Very low115 Ų115123 Ų12362%0.61562%0.616SS**THydrogen-bonded Turntrans-128.79.6-171.8-65.1-18.3000113.4N3474 D3478N3474-N3476 PolarHBondContact O-N 3.37Å; N3474-N3476 VanDerWaalsContact O-N 3.12Å; N3476-D3478 PolarHBondContact O-N 3.05Å
3477D38.2Very low38.7Very low121 Ų121118.3 Ų118.365%0.64759%0.591SS**  trans-9583.9176.9-65.7-39.3000108.9N3474 E3479N3474-D3477 PolarHBondContact ND2-OD1 3.5Å; N3474-D3477 PolarHBondContact ND2-OD2 2.97Å; D3477-E3479 VanDerWaalsContact C-N 3.29Å; D3477-E3479 PolarHBondContact O-N 2.87Å
3478D35.9Very low39.3Very low157 Ų157114.6 Ų114.684%0.8458%0.576SS**  trans-69.972.3-174.9-72.8-46.8000113.3N3476 E3480N3476-D3478 PolarHBondContact O-N 3.05Å; D3478-E3480 VanDerWaalsContact C-N 3.31Å; D3478-E3480 PolarHBondContact O-N 3.36Å
3479E42.7Very low40.3Very low182.5 Ų182.5107 Ų10785%0.85354%0.544SS*.  trans-103.759.6163.4-81.7-160.4-162.200111.7D3477 F3481D3477-E3479 VanDerWaalsContact C-N 3.29Å; D3477-E3479 PolarHBondContact O-N 2.87Å; E3479-F3481 PolarHBondContact O-N 3.06Å
3480E43.5Very low40.7Very low146 Ų146102.6 Ų102.668%0.68253%0.525SS*.  trans-61.5118.6170-163.5-179.7-170.900110.6D3478 N3482 R3546D3478-E3480 VanDerWaalsContact C-N 3.31Å; D3478-E3480 PolarHBondContact O-N 3.36Å; E3480-N3482 PolarHBondContact O-N 3.03Å; E3480-R3546 VanDerWaalsContact CD-NH1 3.31Å; E3480-R3546 IonicContact OE1-CZ 3.96Å; E3480-R3546 IonicContact OE1-NH1 3.08Å; E3480-R3546 PolarHBondContact OE1-NH1 2.83Å; E3480-R3546 IonicContact OE1-NH2 2.71Å; E3480-R3546 IonicContact OE2-CZ 2.83Å; E3480-R3546 IonicContact OE2-NH1 2.69Å; E3480-R3546 IonicContact OE2-NH2 2.87Å; E3480-R3546 PolarHBondContact OE2-NH2 3.16Å
3481F43.9Very low41.6Very low93 Ų9396.5 Ų96.541%0.40850%0.499SS..  trans-58.3108177172.9-103000110.9N3444 E3479 L3483 F3486N3444-F3481 VanDerWaalsContact C-CE2 3.45Å; N3444-F3481 HydrophobicContact CB-CE2 3.64Å; N3444-F3481 HydrophobicContact CB-CZ 3.8Å; N3444-F3481 WeakPolarHBondContact O-CD2 3.41Å; N3444-F3481 WeakPolarHBondContact O-CE1 3.33Å; N3444-F3481 WeakPolarHBondContact O-CE2 3.41Å; N3444-F3481 WeakPolarHBondContact O-CZ 3.46Å; E3479-F3481 PolarHBondContact O-N 3.06Å; F3481-L3483 HydrophobicContact CD1-CB 4.31Å; F3481-L3483 HydrophobicContact CE1-CB 4.07Å; F3481-L3483 HydrophobicContact CE1-CD1 3.95Å; F3481-L3483 PolarHBondContact O-N 3.09Å; F3481-F3486 HydrophobicContact CE1-CB 4Å; F3481-F3486 HydrophobicContact CE1-CG 4.4Å; F3481-F3486 HydrophobicContact CE2-CB 4.15Å; F3481-F3486 HydrophobicContact CE2-CG 4.49Å; F3481-F3486 HydrophobicContact CZ-CB 3.54Å; F3481-F3486 VanDerWaalsContact CZ-CB 3.43Å; F3481-F3486 HydrophobicContact CZ-CD1 4.29Å; F3481-F3486 HydrophobicContact CZ-CD2 4.03Å; F3481-F3486 AromaticContact CZ-CG 3.63Å; F3481-F3486 HydrophobicContact CZ-CG 3.9Å
3482N50.7Low42.7Very low78 Ų7892.7 Ų92.742%0.41748%0.475SS..  trans-76.890.5178.6-167.5-33.6000110.4E3480 A3484 S3485 F3486 T3542E3480-N3482 PolarHBondContact O-N 3.03Å; N3482-A3484 PolarHBondContact O-N 3.07Å; N3482-A3484 VanDerWaalsContact O-N 3.09Å; N3482-A3484 WeakPolarHBondContact OD1-CB 3.32Å; N3482-A3484 PolarHBondContact OD1-N 2.95Å; N3482-A3484 VanDerWaalsContact OD1-N 3.08Å; N3482-S3485 WeakPolarHBondContact O-CA 3.23Å; N3482-S3485 VanDerWaalsContact O-CB 3.22Å; N3482-S3485 WeakPolarHBondContact O-CB 3.3Å; N3482-S3485 PolarHBondContact O-N 3Å; N3482-S3485 PolarHBondContact OD1-N 3.23Å; N3482-F3486 PolarHBondContact O-N 3.01Å; N3482-T3542 WeakPolarHBondContact OD1-CG2 3.31Å
3483L43.1Very low43.6Very low49.5 Ų49.588.9 Ų88.926%0.25946%0.455SS..Hα-helixtrans-52.9-32178.1-179.555.8000113.3F3442 L3446 F3481 F3486 L3487 R3546F3442-L3483 HydrophobicContact CD1-CD2 4.21Å; F3442-L3483 HydrophobicContact CD2-CD1 4.43Å; F3442-L3483 HydrophobicContact CD2-CD2 4.25Å; F3442-L3483 HydrophobicContact CD2-CG 4.32Å; F3442-L3483 HydrophobicContact CE1-CD2 3.34Å; F3442-L3483 HydrophobicContact CE1-CG 4.28Å; F3442-L3483 HydrophobicContact CE2-CD1 3.93Å; F3442-L3483 HydrophobicContact CE2-CD2 3.41Å; F3442-L3483 VanDerWaalsContact CE2-CD2 3.41Å; F3442-L3483 HydrophobicContact CE2-CG 3.39Å; F3442-L3483 HydrophobicContact CZ-CD1 4.3Å; F3442-L3483 HydrophobicContact CZ-CD2 2.91Å; F3442-L3483 HydrophobicContact CZ-CG 3.42Å; F3442-L3483 VanDerWaalsContact CZ-CG 3.42Å; L3446-L3483 HydrophobicContact CD1-CD2 4.22Å; F3481-L3483 HydrophobicContact CD1-CB 4.31Å; F3481-L3483 HydrophobicContact CE1-CB 4.07Å; F3481-L3483 HydrophobicContact CE1-CD1 3.95Å; F3481-L3483 PolarHBondContact O-N 3.09Å; L3483-F3486 HydrophobicContact CD1-CD1 4.15Å; L3483-F3486 WeakPolarHBondContact O-CB 3.29Å; L3483-F3486 PolarHBondContact O-N 3.42Å; L3483-L3487 HydrophobicContact CD1-CG 4.46Å; L3483-L3487 HydrophobicContact CG-CD1 4.22Å; L3483-L3487 VanDerWaalsContact O-CG 3.29Å; L3483-L3487 WeakPolarHBondContact O-CG 3.28Å; L3483-L3487 PolarHBondContact O-N 2.96Å; L3483-R3546 HydrophobicContact CB-CG 4.48Å
3484A40.1Very low44.4Very low26 Ų2685.7 Ų85.722%0.21544%0.438CS..Hα-helixtrans-71.8-36.3174.900000112.1N3482 F3486 L3487 I3488 T3542 H3545 R3546N3482-A3484 PolarHBondContact O-N 3.07Å; N3482-A3484 VanDerWaalsContact O-N 3.09Å; N3482-A3484 WeakPolarHBondContact OD1-CB 3.32Å; N3482-A3484 PolarHBondContact OD1-N 2.95Å; N3482-A3484 VanDerWaalsContact OD1-N 3.08Å; A3484-F3486 VanDerWaalsContact C-N 3.34Å; A3484-F3486 PolarHBondContact O-N 2.93Å; A3484-L3487 PolarHBondContact O-N 3.05Å; A3484-L3487 VanDerWaalsContact O-N 3.09Å; A3484-I3488 HydrophobicContact CB-CD1 4.32Å; A3484-I3488 WeakPolarHBondContact O-CB 3.37Å; A3484-I3488 VanDerWaalsContact O-CD1 3.27Å; A3484-I3488 WeakPolarHBondContact O-CD1 3.29Å; A3484-I3488 WeakPolarHBondContact O-CG1 3.38Å; A3484-I3488 PolarHBondContact O-N 2.79Å; A3484-I3488 VanDerWaalsContact O-N 3.09Å; A3484-T3542 VanDerWaalsContact C-CG2 3.46Å; A3484-T3542 HydrophobicContact CB-CG2 3.48Å; A3484-T3542 VanDerWaalsContact CB-CG2 3.48Å; A3484-T3542 WeakPolarHBondContact CB-O 3.45Å; A3484-H3545 HydrophobicContact CB-CB 4.43Å; A3484-R3546 HydrophobicContact CB-CB 3.92Å
3485S48.6Very low44.9Very low53.5 Ų53.583.5 Ų83.537%0.37443%0.426SS..Hα-helixtrans-60-37.8171.3174.50000111.4N3482 S3489N3482-S3485 WeakPolarHBondContact O-CA 3.23Å; N3482-S3485 VanDerWaalsContact O-CB 3.22Å; N3482-S3485 WeakPolarHBondContact O-CB 3.3Å; N3482-S3485 PolarHBondContact O-N 3Å; N3482-S3485 PolarHBondContact OD1-N 3.23Å; S3485-S3489 WeakPolarHBondContact O-CB 3.27Å; S3485-S3489 PolarHBondContact O-N 3.23Å
3486F52.1Low45.2Very low36.5 Ų36.584.4 Ų84.416%0.1642%0.417CS..Hα-helixtrans-69-45.5173.8172.5-108.8000113A3441 N3444 V3445 F3481 N3482 L3483 A3484 I3488 S3489 Q3491 Y3492 L3495A3441-F3486 HydrophobicContact CB-CD2 4.43Å; A3441-F3486 HydrophobicContact CB-CE2 3.26Å; A3441-F3486 HydrophobicContact CB-CZ 3.49Å; A3441-F3486 VanDerWaalsContact CB-CZ 3.49Å; N3444-F3486 HydrophobicContact CB-CB 3.98Å; N3444-F3486 HydrophobicContact CB-CD2 3.61Å; N3444-F3486 HydrophobicContact CB-CE2 4.39Å; N3444-F3486 HydrophobicContact CB-CG 3.74Å; V3445-F3486 HydrophobicContact CG2-CD1 3.8Å; V3445-F3486 HydrophobicContact CG2-CE1 3.44Å; V3445-F3486 VanDerWaalsContact CG2-CE1 3.44Å; V3445-F3486 HydrophobicContact CG2-CZ 4.11Å; F3481-F3486 HydrophobicContact CE1-CB 4Å; F3481-F3486 HydrophobicContact CE1-CG 4.4Å; F3481-F3486 HydrophobicContact CE2-CB 4.15Å; F3481-F3486 HydrophobicContact CE2-CG 4.49Å; F3481-F3486 HydrophobicContact CZ-CB 3.54Å; F3481-F3486 VanDerWaalsContact CZ-CB 3.43Å; F3481-F3486 HydrophobicContact CZ-CD1 4.29Å; F3481-F3486 HydrophobicContact CZ-CD2 4.03Å; F3481-F3486 AromaticContact CZ-CG 3.63Å; F3481-F3486 HydrophobicContact CZ-CG 3.9Å; N3482-F3486 PolarHBondContact O-N 3.01Å; L3483-F3486 HydrophobicContact CD1-CD1 4.15Å; L3483-F3486 WeakPolarHBondContact O-CB 3.29Å; L3483-F3486 PolarHBondContact O-N 3.42Å; A3484-F3486 VanDerWaalsContact C-N 3.34Å; A3484-F3486 PolarHBondContact O-N 2.93Å; F3486-I3488 VanDerWaalsContact C-N 3.28Å; F3486-I3488 PolarHBondContact O-N 3.07Å; F3486-S3489 VanDerWaalsContact O-CB 3.22Å; F3486-S3489 WeakPolarHBondContact O-CB 3.31Å; F3486-S3489 PolarHBondContact O-N 3.39Å; F3486-S3489 PolarHBondContact O-OG 3.24Å; F3486-Q3491 HydrophobicContact CE2-CB 4.4Å; F3486-Y3492 AromaticContact CE1-CD2 4Å; F3486-Y3492 HydrophobicContact CE1-CD2 4.19Å; F3486-Y3492 HydrophobicContact CE2-CD2 4.3Å; F3486-Y3492 HydrophobicContact CE2-CG 4.47Å; F3486-Y3492 AromaticContact CZ-CD2 3.59Å; F3486-Y3492 HydrophobicContact CZ-CD2 3.59Å; F3486-Y3492 HydrophobicContact CZ-CG 4.18Å; F3486-Y3492 VanDerWaalsContact O-CB 3.28Å; F3486-Y3492 WeakPolarHBondContact O-CB 3.32Å; F3486-L3495 HydrophobicContact CZ-CD1 4.47Å
3487L45.8Very low45.6Very low49 Ų4983.7 Ų83.726%0.25741%0.41SS..Hα-helixtrans-63.4-28.8177.9-70.3172.8000113.3F3442 L3483 A3484 S3489 Y3492F3442-L3487 HydrophobicContact CD2-CD1 4.06Å; F3442-L3487 HydrophobicContact CE2-CD1 3.72Å; L3483-L3487 HydrophobicContact CD1-CG 4.46Å; L3483-L3487 HydrophobicContact CG-CD1 4.22Å; L3483-L3487 VanDerWaalsContact O-CG 3.29Å; L3483-L3487 WeakPolarHBondContact O-CG 3.28Å; L3483-L3487 PolarHBondContact O-N 2.96Å; A3484-L3487 PolarHBondContact O-N 3.05Å; A3484-L3487 VanDerWaalsContact O-N 3.09Å; L3487-S3489 VanDerWaalsContact C-N 3.34Å; L3487-Y3492 HydrophobicContact CD2-CD1 4.39Å; L3487-Y3492 HydrophobicContact CD2-CD2 3.95Å; L3487-Y3492 HydrophobicContact CD2-CE1 4.03Å; L3487-Y3492 HydrophobicContact CD2-CE2 3.67Å; L3487-Y3492 HydrophobicContact CD2-CG 4.37Å; L3487-Y3492 VanDerWaalsContact O-CD1 3.27Å; L3487-Y3492 WeakPolarHBondContact O-CD1 3.39Å
3488I48.6Very low45.5Very low91 Ų9181 Ų8147%0.46740%0.4SS..THydrogen-bonded Turntrans-89.3-7.4175.5-64.9150.6000111.2A3484 F3486 T3542A3484-I3488 HydrophobicContact CB-CD1 4.32Å; A3484-I3488 WeakPolarHBondContact O-CB 3.37Å; A3484-I3488 VanDerWaalsContact O-CD1 3.27Å; A3484-I3488 WeakPolarHBondContact O-CD1 3.29Å; A3484-I3488 WeakPolarHBondContact O-CG1 3.38Å; A3484-I3488 PolarHBondContact O-N 2.79Å; A3484-I3488 VanDerWaalsContact O-N 3.09Å; F3486-I3488 VanDerWaalsContact C-N 3.28Å; F3486-I3488 PolarHBondContact O-N 3.07Å; I3488-T3542 HydrophobicContact CD1-CG2 4.21Å
3489S53.3Low45.5Very low11 Ų1177.9 Ų77.98%0.07739%0.389CS..SBendtrans-67.4149-179.478.40000112.1S3485 F3486 L3487 Q3491 Y3492 K3493S3485-S3489 WeakPolarHBondContact O-CB 3.27Å; S3485-S3489 PolarHBondContact O-N 3.23Å; F3486-S3489 VanDerWaalsContact O-CB 3.22Å; F3486-S3489 WeakPolarHBondContact O-CB 3.31Å; F3486-S3489 PolarHBondContact O-N 3.39Å; F3486-S3489 PolarHBondContact O-OG 3.24Å; L3487-S3489 VanDerWaalsContact C-N 3.34Å; S3489-Q3491 PolarHBondContact O-N 2.79Å; S3489-Q3491 VanDerWaalsContact O-N 3.16Å; S3489-Q3491 WeakPolarHBondContact OG-CB 3.04Å; S3489-Q3491 PolarHBondContact OG-N 2.89Å; S3489-Y3492 PolarHBondContact O-N 3.32Å; S3489-Y3492 PolarHBondContact OG-N 3.22Å; S3489-Y3492 VanDerWaalsContact OG-N 3.13Å; S3489-K3493 PolarHBondContact O-N 2.81Å
3490P46.6Very low45.1Very low54.5 Ų54.571.3 Ų71.335%0.35437%0.37SS..Hα-helixtrans-59.1-18.4169.6-22.331.7000114.3K3493 R3494 G3520 L3522 N3523P3490-K3493 PolarHBondContact O-N 3.46Å; P3490-R3494 WeakPolarHBondContact O-CB 3.41Å; P3490-R3494 PolarHBondContact O-N 3.24Å; P3490-R3494 VanDerWaalsContact O-N 3.17Å; P3490-R3494 PolarHBondContact O-NE 2.95Å; P3490-G3520 VanDerWaalsContact CB-C 3.5Å; P3490-G3520 VanDerWaalsContact CB-CA 3.48Å; P3490-G3520 WeakPolarHBondContact CB-O 3.37Å; P3490-L3522 WeakPolarHBondContact CG-O 3.43Å; P3490-N3523 HydrophobicContact CG-CB 4.22Å
3491Q50.1Low44.7Very low55.5 Ų55.566.8 Ų66.826%0.25936%0.355SS..Hα-helixtrans-75.2-47.3-178.1-57.5155.48.700109.4S3440 N3444 F3486 S3489 K3493 R3494 L3495S3440-Q3491 PolarHBondContact O-OE1 3.27Å; S3440-Q3491 PolarHBondContact OG-NE2 2.92Å; S3440-Q3491 PolarHBondContact OG-OE1 3.26Å; N3444-Q3491 PolarHBondContact ND2-OE1 2.92Å; F3486-Q3491 HydrophobicContact CE2-CB 4.4Å; S3489-Q3491 PolarHBondContact O-N 2.79Å; S3489-Q3491 VanDerWaalsContact O-N 3.16Å; S3489-Q3491 WeakPolarHBondContact OG-CB 3.04Å; S3489-Q3491 PolarHBondContact OG-N 2.89Å; Q3491-K3493 VanDerWaalsContact C-N 3.32Å; Q3491-K3493 PolarHBondContact O-N 3.19Å; Q3491-R3494 PolarHBondContact O-N 3.22Å; Q3491-L3495 WeakPolarHBondContact O-CB 3.25Å; Q3491-L3495 PolarHBondContact O-N 3.39Å
3492Y52.3Low44.3Very low59 Ų5968 Ų6823%0.23137%0.365CS..Hα-helixtrans-60.3-42.4169.4-179.9-99.1000111.7V3438 F3486 L3487 S3489 R3494 L3495 Y3496V3438-Y3492 WeakPolarHBondContact CG2-OH 3.13Å; F3486-Y3492 AromaticContact CE1-CD2 4Å; F3486-Y3492 HydrophobicContact CE1-CD2 4.19Å; F3486-Y3492 HydrophobicContact CE2-CD2 4.3Å; F3486-Y3492 HydrophobicContact CE2-CG 4.47Å; F3486-Y3492 AromaticContact CZ-CD2 3.59Å; F3486-Y3492 HydrophobicContact CZ-CD2 3.59Å; F3486-Y3492 HydrophobicContact CZ-CG 4.18Å; F3486-Y3492 VanDerWaalsContact O-CB 3.28Å; F3486-Y3492 WeakPolarHBondContact O-CB 3.32Å; L3487-Y3492 HydrophobicContact CD2-CD1 4.39Å; L3487-Y3492 HydrophobicContact CD2-CD2 3.95Å; L3487-Y3492 HydrophobicContact CD2-CE1 4.03Å; L3487-Y3492 HydrophobicContact CD2-CE2 3.67Å; L3487-Y3492 HydrophobicContact CD2-CG 4.37Å; L3487-Y3492 VanDerWaalsContact O-CD1 3.27Å; L3487-Y3492 WeakPolarHBondContact O-CD1 3.39Å; S3489-Y3492 PolarHBondContact O-N 3.32Å; S3489-Y3492 PolarHBondContact OG-N 3.22Å; S3489-Y3492 VanDerWaalsContact OG-N 3.13Å; Y3492-R3494 VanDerWaalsContact C-N 3.3Å; Y3492-R3494 PolarHBondContact O-N 2.99Å; Y3492-L3495 WeakPolarHBondContact O-CB 3.31Å; Y3492-L3495 PolarHBondContact O-N 3.19Å; Y3492-Y3496 HydrophobicContact CE1-CD2 4.24Å; Y3492-Y3496 WeakPolarHBondContact O-CB 3.32Å; Y3492-Y3496 PolarHBondContact O-N 2.98Å
3493K48.3Very low43.4Very low106.5 Ų106.568.9 Ų68.946%0.46338%0.376SS..Hα-helixtrans-62-39.1178.8-165171.9-178.5174.80112.9S3489 P3490 Q3491 Y3496 Q3497S3489-K3493 PolarHBondContact O-N 2.81Å; P3490-K3493 PolarHBondContact O-N 3.46Å; Q3491-K3493 VanDerWaalsContact C-N 3.32Å; Q3491-K3493 PolarHBondContact O-N 3.19Å; K3493-Y3496 PolarHBondContact O-N 3.3Å; K3493-Q3497 WeakPolarHBondContact O-CB 3.35Å; K3493-Q3497 WeakPolarHBondContact O-CG 3.35Å; K3493-Q3497 PolarHBondContact O-N 3.08Å
3494R43.3Very low42.9Very low114.5 Ų114.575.1 Ų75.143%0.43240%0.404SS..Hα-helixtrans-68-42.1173.7-82.8-174.7-81.1163.9-3.5112.3D3437 P3490 Q3491 Y3492 Y3496 Q3497 C3498 G3520D3437-R3494 IonicContact OD1-CZ 3.76Å; D3437-R3494 IonicContact OD1-NH1 3.41Å; D3437-R3494 PolarHBondContact OD1-NH1 2.77Å; D3437-R3494 IonicContact OD1-NH2 2.89Å; D3437-R3494 IonicContact OD2-CZ 3.51Å; D3437-R3494 IonicContact OD2-NE 3.36Å; D3437-R3494 IonicContact OD2-NH1 2.61Å; D3437-R3494 PolarHBondContact OD2-NH1 2.86Å; P3490-R3494 WeakPolarHBondContact O-CB 3.41Å; P3490-R3494 PolarHBondContact O-N 3.24Å; P3490-R3494 VanDerWaalsContact O-N 3.17Å; P3490-R3494 PolarHBondContact O-NE 2.95Å; Q3491-R3494 PolarHBondContact O-N 3.22Å; Y3492-R3494 VanDerWaalsContact C-N 3.3Å; Y3492-R3494 PolarHBondContact O-N 2.99Å; R3494-Y3496 VanDerWaalsContact C-N 3.34Å; R3494-Y3496 PolarHBondContact O-N 2.76Å; R3494-Q3497 CarbonylContact O-C 3.59Å; R3494-Q3497 WeakPolarHBondContact O-CB 3.01Å; R3494-Q3497 PolarHBondContact O-N 2.8Å; R3494-Q3497 VanDerWaalsContact O-N 3.13Å; R3494-C3498 WeakPolarHBondContact O-CB 3.48Å; R3494-C3498 PolarHBondContact O-N 3.05Å; R3494-C3498 PolarHBondContact O-SG 3.04Å; R3494-G3520 PolarHBondContact NH2-O 3.01Å
3495L43Very low42.4Very low50 Ų5080.4 Ų80.426%0.26243%0.429SS..Hα-helixtrans-56.6-47.9172.6-119.7170.1000111.7V3438 A3441 F3486 Q3491 Y3492 Q3497 C3498 C3499V3438-L3495 HydrophobicContact CB-CG 4.38Å; V3438-L3495 HydrophobicContact CG2-CD1 4.37Å; V3438-L3495 HydrophobicContact CG2-CD2 3.74Å; V3438-L3495 HydrophobicContact CG2-CG 3.77Å; A3441-L3495 HydrophobicContact CB-CD1 3.52Å; F3486-L3495 HydrophobicContact CZ-CD1 4.47Å; Q3491-L3495 WeakPolarHBondContact O-CB 3.25Å; Q3491-L3495 PolarHBondContact O-N 3.39Å; Y3492-L3495 WeakPolarHBondContact O-CB 3.31Å; Y3492-L3495 PolarHBondContact O-N 3.19Å; L3495-Q3497 VanDerWaalsContact C-N 3.3Å; L3495-Q3497 PolarHBondContact O-N 2.99Å; L3495-C3498 PolarHBondContact O-N 3.16Å; L3495-C3499 PolarHBondContact O-N 2.92Å; L3495-C3499 VanDerWaalsContact O-N 3.1Å; L3495-C3499 PolarHBondContact O-SG 3.29Å
3496Y44.2Very low41.5Very low124 Ų12484.3 Ų84.349%0.48645%0.445SS..Hα-helixtrans-63-39.8176.6-175.1-90.1000111.9V3434 Y3492 K3493 R3494 C3498 C3499 G3500V3434-Y3496 HydrophobicContact CG1-CE2 4.39Å; Y3492-Y3496 HydrophobicContact CE1-CD2 4.24Å; Y3492-Y3496 WeakPolarHBondContact O-CB 3.32Å; Y3492-Y3496 PolarHBondContact O-N 2.98Å; K3493-Y3496 PolarHBondContact O-N 3.3Å; R3494-Y3496 VanDerWaalsContact C-N 3.34Å; R3494-Y3496 PolarHBondContact O-N 2.76Å; Y3496-C3498 PolarHBondContact O-N 2.68Å; Y3496-C3499 PolarHBondContact O-N 3.18Å; Y3496-G3500 WeakPolarHBondContact O-CA 3.46Å; Y3496-G3500 PolarHBondContact O-N 2.82Å
3497Q42.3Very low40.5Very low99 Ų9989.4 Ų89.446%0.46347%0.474SS..Hα-helixtrans-66-39.4175.5-75.5172.2-27.800112.3K3493 R3494 L3495 C3499 G3500 S3501K3493-Q3497 WeakPolarHBondContact O-CB 3.35Å; K3493-Q3497 WeakPolarHBondContact O-CG 3.35Å; K3493-Q3497 PolarHBondContact O-N 3.08Å; R3494-Q3497 CarbonylContact O-C 3.59Å; R3494-Q3497 WeakPolarHBondContact O-CB 3.01Å; R3494-Q3497 PolarHBondContact O-N 2.8Å; R3494-Q3497 VanDerWaalsContact O-N 3.13Å; L3495-Q3497 VanDerWaalsContact C-N 3.3Å; L3495-Q3497 PolarHBondContact O-N 2.99Å; Q3497-C3499 VanDerWaalsContact C-N 3.35Å; Q3497-C3499 PolarHBondContact O-N 3.01Å; Q3497-G3500 PolarHBondContact O-N 2.9Å; Q3497-S3501 WeakPolarHBondContact CA-OG 3.17Å; Q3497-S3501 WeakPolarHBondContact CG-OG 3.16Å; Q3497-S3501 WeakPolarHBondContact O-CA 3.37Å; Q3497-S3501 WeakPolarHBondContact O-CB 3.45Å; Q3497-S3501 PolarHBondContact O-N 2.67Å; Q3497-S3501 PolarHBondContact O-OG 3.23Å
3498C36.8Very low39.8Very low64.5 Ų64.594.5 Ų94.544%0.43650%0.502SS..Hα-helixtrans-66.3-33.3174.5-68.20000112.9V3434 R3494 L3495 Y3496 S3501 E3646V3434-C3498 HydrophobicContact CG1-CB 4.18Å; R3494-C3498 WeakPolarHBondContact O-CB 3.48Å; R3494-C3498 PolarHBondContact O-N 3.05Å; R3494-C3498 PolarHBondContact O-SG 3.04Å; L3495-C3498 PolarHBondContact O-N 3.16Å; Y3496-C3498 PolarHBondContact O-N 2.68Å; C3498-S3501 PolarHBondContact O-OG 2.73Å; C3498-E3646 WeakPolarHBondContact O-CG 3.34Å
3499C36.2Very low38.9Very low92 Ų9297.5 Ų97.562%0.62252%0.519SS*.Hα-helixtrans-86.8-24.6177.1-67.90000113.8L3495 Y3496 Q3497 S3501 I3502L3495-C3499 PolarHBondContact O-N 2.92Å; L3495-C3499 VanDerWaalsContact O-N 3.1Å; L3495-C3499 PolarHBondContact O-SG 3.29Å; Y3496-C3499 PolarHBondContact O-N 3.18Å; Q3497-C3499 VanDerWaalsContact C-N 3.35Å; Q3497-C3499 PolarHBondContact O-N 3.01Å; C3499-S3501 VanDerWaalsContact C-N 3.28Å; C3499-S3501 PolarHBondContact O-N 3.05Å; C3499-I3502 WeakPolarHBondContact O-CB 3.39Å; C3499-I3502 PolarHBondContact O-N 3.3Å; C3499-I3502 VanDerWaalsContact O-N 3.16Å
3500G34.1Very low37.7Very low43.5 Ų43.5104.5 Ų104.545%0.44856%0.556SS.*Hα-helixtrans-104.2-11.2-174.200000114.6Y3496 Q3497 I3502 S3503Y3496-G3500 WeakPolarHBondContact O-CA 3.46Å; Y3496-G3500 PolarHBondContact O-N 2.82Å; Q3497-G3500 PolarHBondContact O-N 2.9Å; G3500-I3502 PolarHBondContact O-N 2.83Å; G3500-I3502 VanDerWaalsContact O-N 3.08Å; G3500-S3503 PolarHBondContact O-N 3.17Å
3501S34.6Very low37.3Very low51.5 Ų51.5108.2 Ų108.236%0.3657%0.572SS.*  trans-86.944.31768.40000113.3Y3415 Q3497 C3498 C3499 S3503Y3415-S3501 WeakPolarHBondContact OH-CB 3.48Å; Y3415-S3501 PolarHBondContact OH-OG 2.9Å; Q3497-S3501 WeakPolarHBondContact CA-OG 3.17Å; Q3497-S3501 WeakPolarHBondContact CG-OG 3.16Å; Q3497-S3501 WeakPolarHBondContact O-CA 3.37Å; Q3497-S3501 WeakPolarHBondContact O-CB 3.45Å; Q3497-S3501 PolarHBondContact O-N 2.67Å; Q3497-S3501 PolarHBondContact O-OG 3.23Å; C3498-S3501 PolarHBondContact O-OG 2.73Å; C3499-S3501 VanDerWaalsContact C-N 3.28Å; C3499-S3501 PolarHBondContact O-N 3.05Å; S3501-S3503 VanDerWaalsContact C-N 3.34Å; S3501-S3503 PolarHBondContact O-N 3.04Å; S3501-S3503 VanDerWaalsContact O-N 3.11Å
3502I35.9Very low36.6Very low120 Ų120112.2 Ų112.262%0.61559%0.59SS**THydrogen-bonded Turntrans-61.851157.4-63.9171.3000109.1Y3415 C3499 G3500 Q3504 T3515Y3415-I3502 HydrophobicContact CE1-CG1 4.38Å; C3499-I3502 WeakPolarHBondContact O-CB 3.39Å; C3499-I3502 PolarHBondContact O-N 3.3Å; C3499-I3502 VanDerWaalsContact O-N 3.16Å; G3500-I3502 PolarHBondContact O-N 2.83Å; G3500-I3502 VanDerWaalsContact O-N 3.08Å; I3502-Q3504 PolarHBondContact O-N 3.46Å; I3502-T3515 HydrophobicContact CD1-CG2 3.61Å
3503S32.3Very low35.9Very low95 Ų95112.3 Ų112.366%0.66460%0.6SS**  trans-79.652.9-178.8-171.70000112.7G3500 S3501 N3505G3500-S3503 PolarHBondContact O-N 3.17Å; S3501-S3503 VanDerWaalsContact C-N 3.34Å; S3501-S3503 PolarHBondContact O-N 3.04Å; S3501-S3503 VanDerWaalsContact O-N 3.11Å; S3503-N3505 PolarHBondContact O-N 2.99Å; S3503-N3505 WeakPolarHBondContact OG-CB 3.27Å; S3503-N3505 PolarHBondContact OG-N 3.46Å
3504Q31.9Very low35.9Very low181.5 Ų181.5110.8 Ų110.885%0.84860%0.603SS**  trans-91.987.1160.1-75.4-164.6-7.500108.6I3502 N3506I3502-Q3504 PolarHBondContact O-N 3.46Å; Q3504-N3506 PolarHBondContact O-N 3.2Å
3505N29.4Very low36.9Very low136.5 Ų136.5108.7 Ų108.773%0.7360%0.603SS**  trans-96.7115.8167.1-146.4-6.9000107.3S3503 N3507S3503-N3505 PolarHBondContact O-N 2.99Å; S3503-N3505 WeakPolarHBondContact OG-CB 3.27Å; S3503-N3505 PolarHBondContact OG-N 3.46Å; N3505-N3507 PolarHBondContact O-N 2.81Å
3506N30Very low38.4Very low134.5 Ų134.5107.6 Ų107.672%0.71960%0.596SS**SBendtrans6.4101.9178.5-66.9-46.6000112.1Q3504Q3504-N3506 PolarHBondContact O-N 3.2Å
3507N30.5Very low40.1Very low143.5 Ų143.5103.1 Ų103.177%0.76758%0.578SS**SBendtrans116.573.9157.6-67.8-19.3000113.4N3505N3505-N3507 PolarHBondContact O-N 2.81Å
3508N31.2Very low41.9Very low156.5 Ų156.598.4 Ų98.484%0.83756%0.557SS**  179.4128.8128.8-87.9-23.9000110.8N3510N3508-N3510 PolarHBondContact O-N 3.47Å; N3508-N3510 VanDerWaalsContact O-N 3.16Å
3509N30.8Very low43.8Very low154 Ų15496.7 Ų96.782%0.82455%0.546SS*.  trans-46.8126.8-179.7-59.4-22.3000113.5L3511N3509-L3511 PolarHBondContact O-N 2.92Å; N3509-L3511 VanDerWaalsContact O-N 3.12Å
3510N28.7Very low45.2Very low158 Ų15894.2 Ų94.285%0.84554%0.535SS*.THydrogen-bonded Turntrans-128.665.5161.2-72.9-6.7000114.8N3508N3508-N3510 PolarHBondContact O-N 3.47Å; N3508-N3510 VanDerWaalsContact O-N 3.16Å
3511L36.6Very low47.1Very low132 Ų13293.5 Ų93.569%0.69152%0.521SS*.  trans-128.676.7167.3-156.371.3000110.6N3509 S3513N3509-L3511 PolarHBondContact O-N 2.92Å; N3509-L3511 VanDerWaalsContact O-N 3.12Å; L3511-S3513 PolarHBondContact O-N 3.2Å; L3511-S3513 VanDerWaalsContact O-N 3.08Å
3512Q35.6Very low49.2Very low139.5 Ų139.591.8 Ų91.865%0.65251%0.507SS*.  trans-70.886.5168-81.7174.6-39.500109.2H3409 S3514H3409-Q3512 PolarHBondContact CD2-NE2 2.98Å; H3409-Q3512 PolarHBondContact CE1-NE2 2.93Å; H3409-Q3512 PolarHBondContact NE2-NE2 3.2Å; Q3512-S3514 PolarHBondContact O-N 3.32Å
3513S38.8Very low51Low62.5 Ų62.587.2 Ų87.244%0.43748%0.484SS..  trans-69.898173.3174.60000109.6L3511 T3515L3511-S3513 PolarHBondContact O-N 3.2Å; L3511-S3513 VanDerWaalsContact O-N 3.08Å; S3513-T3515 PolarHBondContact O-N 3.34Å
3514S48Very low53Low74.5 Ų74.583.7 Ų83.752%0.52146%0.458SS..  trans-57.9112.5167.856.20000109.3Q3512 H3516Q3512-S3514 PolarHBondContact O-N 3.32Å; S3514-H3516 PolarHBondContact O-N 3.27Å
3515T63.7Low55.2Low70.5 Ų70.578 Ų7843%0.43343%0.433SS..  trans-66134-178.148.10000110.8I3502 S3513I3502-T3515 HydrophobicContact CD1-CG2 3.61Å; S3513-T3515 PolarHBondContact O-N 3.34Å
3516H75.7Confident57.8Low27 Ų2771.8 Ų71.813%0.12540%0.4CS..  trans-65.4149.6179.3-175.4-93.1000111S3514 I3518 S3519 R3658 D3662S3514-H3516 PolarHBondContact O-N 3.27Å; H3516-I3518 VanDerWaalsContact ND1-CG1 3.31Å; H3516-I3518 WeakPolarHBondContact ND1-CG1 3.36Å; H3516-I3518 PolarHBondContact ND1-N 3.21Å; H3516-I3518 PolarHBondContact O-N 3.14Å; H3516-S3519 PolarHBondContact N-OG 3.47Å; H3516-S3519 VanDerWaalsContact O-CB 3.27Å; H3516-S3519 WeakPolarHBondContact O-CB 3.48Å; H3516-S3519 PolarHBondContact O-N 2.99Å; H3516-S3519 PolarHBondContact O-OG 3.29Å; H3516-R3658 HydrophobicContact CB-CG 4.37Å; H3516-D3662 IonicContact CD2-OD2 3.51Å; H3516-D3662 IonicContact CE1-OD1 2.73Å; H3516-D3662 IonicContact NE2-OD1 3.76Å; H3516-D3662 PolarHBondContact NE2-OD1 3.1Å; H3516-D3662 IonicContact NE2-OD2 3.95Å; H3516-D3662 PolarHBondContact NE2-OD2 3.15Å
3517W78.9Confident60.4Low28.5 Ų28.565.4 Ų65.411%0.10837%0.366CS..THydrogen-bonded Turntrans-64.7-16.8-170.265-91.8000115.4Y3397 V3401 L3521 L3661 D3662 L3674Y3397-W3517 HydrophobicContact CD2-CB 4.35Å; Y3397-W3517 AromaticContact CD2-CD2 3.62Å; Y3397-W3517 HydrophobicContact CD2-CD2 3.62Å; Y3397-W3517 AromaticContact CD2-CE3 3.38Å; Y3397-W3517 HydrophobicContact CD2-CE3 3.38Å; Y3397-W3517 VanDerWaalsContact CD2-CE3 3.44Å; Y3397-W3517 HydrophobicContact CD2-CG 4.13Å; Y3397-W3517 HydrophobicContact CD2-CH2 4.28Å; Y3397-W3517 HydrophobicContact CD2-CZ2 4.42Å; Y3397-W3517 AromaticContact CD2-CZ3 3.72Å; Y3397-W3517 HydrophobicContact CD2-CZ3 3.72Å; Y3397-W3517 AromaticContact CE2-CD2 3.82Å; Y3397-W3517 HydrophobicContact CE2-CD2 3.93Å; Y3397-W3517 HydrophobicContact CE2-CE3 4.17Å; Y3397-W3517 HydrophobicContact CE2-CG 4.12Å; Y3397-W3517 HydrophobicContact CE2-CZ3 4.43Å; Y3397-W3517 HydrophobicContact CG-CE3 4.25Å; Y3397-W3517 HydrophobicContact CG-CZ3 4.26Å; V3401-W3517 HydrophobicContact CG2-CB 4.39Å; W3517-L3521 WeakPolarHBondContact O-CD1 3.32Å; W3517-L3661 HydrophobicContact CH2-CB 4.38Å; W3517-L3661 HydrophobicContact CZ2-CB 3.92Å; W3517-D3662 PolarHBondContact NE1-OD1 3.21Å; W3517-L3674 HydrophobicContact CH2-CD2 4.4Å
3518I80.8Confident63.1Low1.5 Ų1.559.8 Ų59.81%0.00834%0.338CS..THydrogen-bonded Turntrans-90.6-9.7174.277.5-163.4000113.9L3393 H3516 G3520 L3521 D3654 I3657 R3658 L3661L3393-I3518 HydrophobicContact CD2-CB 3.98Å; L3393-I3518 HydrophobicContact CD2-CG2 4.32Å; H3516-I3518 VanDerWaalsContact ND1-CG1 3.31Å; H3516-I3518 WeakPolarHBondContact ND1-CG1 3.36Å; H3516-I3518 PolarHBondContact ND1-N 3.21Å; H3516-I3518 PolarHBondContact O-N 3.14Å; I3518-G3520 PolarHBondContact O-N 3.11Å; I3518-G3520 VanDerWaalsContact O-N 3.13Å; I3518-L3521 WeakPolarHBondContact O-CG 3.41Å; I3518-L3521 PolarHBondContact O-N 3.44Å; I3518-D3654 WeakPolarHBondContact CD1-O 3.5Å; I3518-D3654 WeakPolarHBondContact CD1-OD1 3.38Å; I3518-D3654 HydrophobicContact CG1-CB 4.31Å; I3518-D3654 WeakPolarHBondContact CG1-OD1 3.48Å; I3518-I3657 HydrophobicContact CD1-CD1 4.29Å; I3518-I3657 HydrophobicContact CD1-CG1 3.83Å; I3518-R3658 HydrophobicContact CD1-CB 4.45Å; I3518-R3658 HydrophobicContact CD1-CG 3.7Å; I3518-R3658 HydrophobicContact CG1-CG 4.44Å; I3518-L3661 HydrophobicContact CD1-CD1 3.83Å; I3518-L3661 HydrophobicContact CG2-CD1 3.76Å
3519S75.3Confident65.7Low29 Ų2954.5 Ų54.520%0.20331%0.309CS..THydrogen-bonded Turntrans-62.4124.1-167.9-59.20000111.1H3516 L3521 D3654 R3658H3516-S3519 PolarHBondContact N-OG 3.47Å; H3516-S3519 VanDerWaalsContact O-CB 3.27Å; H3516-S3519 WeakPolarHBondContact O-CB 3.48Å; H3516-S3519 PolarHBondContact O-N 2.99Å; H3516-S3519 PolarHBondContact O-OG 3.29Å; S3519-L3521 VanDerWaalsContact C-N 3.34Å; S3519-L3521 PolarHBondContact O-N 3.42Å; S3519-D3654 WeakPolarHBondContact CA-OD2 3.44Å; S3519-D3654 WeakPolarHBondContact CB-OD2 3.17Å; S3519-D3654 PolarHBondContact OG-OD2 2.78Å; S3519-R3658 PolarHBondContact OG-NH2 3.31Å
3520G66.8Low68.5Low38 Ų3848.1 Ų48.139%0.39227%0.274SS..THydrogen-bonded Turntrans72.122.9176.200000115.5P3490 R3494 I3518P3490-G3520 VanDerWaalsContact CB-C 3.5Å; P3490-G3520 VanDerWaalsContact CB-CA 3.48Å; P3490-G3520 WeakPolarHBondContact CB-O 3.37Å; R3494-G3520 PolarHBondContact NH2-O 3.01Å; I3518-G3520 PolarHBondContact O-N 3.11Å; I3518-G3520 VanDerWaalsContact O-N 3.13Å
3521L73.2Confident71.4Confident30.5 Ų30.541 Ų4116%0.1624%0.236CC..  trans-92-24.6176-61-179.8000114K3392 L3393 T3396 V3400 W3517 I3518 S3519K3392-L3521 WeakPolarHBondContact CE-O 3.31Å; K3392-L3521 PolarHBondContact NZ-O 2.89Å; L3393-L3521 HydrophobicContact CD2-CB 3.73Å; L3393-L3521 HydrophobicContact CD2-CD1 3.94Å; L3393-L3521 HydrophobicContact CD2-CG 4.44Å; T3396-L3521 WeakPolarHBondContact OG1-CD1 3.39Å; V3400-L3521 HydrophobicContact CG2-CD1 4.24Å; V3400-L3521 HydrophobicContact CG2-CD2 3.8Å; W3517-L3521 WeakPolarHBondContact O-CD1 3.32Å; I3518-L3521 WeakPolarHBondContact O-CG 3.41Å; I3518-L3521 PolarHBondContact O-N 3.44Å; S3519-L3521 VanDerWaalsContact C-N 3.34Å; S3519-L3521 PolarHBondContact O-N 3.42Å
3522L79Confident73.8Confident14 Ų1437.3 Ų37.37%0.07322%0.22CC..  trans-110.9144.3179.8-60-176.2000111.4F3348 P3389 K3392 L3393 P3490 D3526 L3653F3348-L3522 HydrophobicContact CE2-CD1 3.82Å; F3348-L3522 HydrophobicContact CZ-CD1 3.88Å; P3389-L3522 HydrophobicContact CB-CD1 4Å; P3389-L3522 HydrophobicContact CB-CD2 4.02Å; K3392-L3522 HydrophobicContact CB-CD2 4.36Å; K3392-L3522 HydrophobicContact CD-CD2 3.78Å; K3392-L3522 HydrophobicContact CG-CD2 4.17Å; L3393-L3522 HydrophobicContact CD1-CD1 3.77Å; L3393-L3522 HydrophobicContact CD1-CG 4.37Å; L3393-L3522 HydrophobicContact CD2-CD1 4.13Å; L3393-L3522 HydrophobicContact CD2-CD2 4.2Å; L3393-L3522 HydrophobicContact CD2-CG 3.8Å; L3393-L3522 HydrophobicContact CG-CD1 3.88Å; L3393-L3522 HydrophobicContact CG-CD2 4.13Å; L3393-L3522 HydrophobicContact CG-CG 3.98Å; P3490-L3522 WeakPolarHBondContact CG-O 3.43Å; L3522-D3526 VanDerWaalsContact CA-OD2 3.27Å; L3522-D3526 WeakPolarHBondContact CA-OD2 3.46Å; L3522-D3526 HydrophobicContact CB-CB 4.04Å; L3522-D3526 HydrophobicContact CD2-CB 4.13Å; L3522-D3526 HydrophobicContact CG-CB 4.5Å; L3522-L3653 HydrophobicContact CB-CB 4.11Å; L3522-L3653 HydrophobicContact CB-CD1 4Å; L3522-L3653 HydrophobicContact CB-CG 4.46Å; L3522-L3653 HydrophobicContact CD1-CB 4.3Å; L3522-L3653 HydrophobicContact CD1-CD2 4.23Å
3523N73.2Confident76.1Confident25 Ų2536.9 Ų36.913%0.13422%0.218CC..  trans-123.9-172.8-174.467.634.5000112.9S3440 P3490 N3525 D3526 F3527S3440-N3523 VanDerWaalsContact CB-ND2 3.33Å; S3440-N3523 WeakPolarHBondContact CB-ND2 3.32Å; S3440-N3523 PolarHBondContact OG-ND2 3.31Å; P3490-N3523 HydrophobicContact CG-CB 4.22Å; N3523-N3525 VanDerWaalsContact C-N 3.29Å; N3523-N3525 PolarHBondContact O-N 2.82Å; N3523-N3525 WeakPolarHBondContact OD1-CA 3.28Å; N3523-N3525 WeakPolarHBondContact OD1-CB 3.41Å; N3523-N3525 PolarHBondContact OD1-N 3.12Å; N3523-D3526 PolarHBondContact N-OD2 3.47Å; N3523-D3526 WeakPolarHBondContact O-CB 3.38Å; N3523-D3526 PolarHBondContact O-N 3.08Å; N3523-D3526 VanDerWaalsContact O-N 3.08Å; N3523-D3526 PolarHBondContact OD1-N 2.84Å; N3523-D3526 PolarHBondContact OD1-OD2 3.07Å; N3523-D3526 VanDerWaalsContact OD1-OD2 3.07Å; N3523-F3527 PolarHBondContact O-N 3.18Å
3524L75.8Confident78.5Confident21.5 Ų21.537.3 Ų37.311%0.11321%0.21CC..Hα-helixtrans-61.4-31.2-178.6-175.762.1000113.1F3527 C3528 L3538 T3542 L3649L3524-F3527 HydrophobicContact CD1-CB 4.46Å; L3524-F3527 WeakPolarHBondContact O-CB 3.4Å; L3524-F3527 PolarHBondContact O-N 3.22Å; L3524-C3528 PolarHBondContact O-N 3.02Å; L3524-C3528 PolarHBondContact O-SG 3.08Å; L3524-L3538 HydrophobicContact CD1-CB 4.06Å; L3524-L3538 HydrophobicContact CD1-CD1 4.35Å; L3524-T3542 HydrophobicContact CD2-CG2 4.23Å; L3524-L3649 HydrophobicContact CD1-CD1 4.45Å; L3524-L3649 HydrophobicContact CD1-CD2 4.11Å
3525N77.6Confident80.3Confident60.5 Ų60.533.9 Ų33.932%0.32419%0.186SC..Hα-helixtrans-69.6-39.9176.2-65.1-14.6000110.8N3444 N3523 F3527 C3528 I3529N3444-N3525 PolarHBondContact ND2-OD1 2.75Å; N3523-N3525 VanDerWaalsContact C-N 3.29Å; N3523-N3525 PolarHBondContact O-N 2.82Å; N3523-N3525 WeakPolarHBondContact OD1-CA 3.28Å; N3523-N3525 WeakPolarHBondContact OD1-CB 3.41Å; N3523-N3525 PolarHBondContact OD1-N 3.12Å; N3525-F3527 VanDerWaalsContact C-N 3.28Å; N3525-F3527 PolarHBondContact O-N 3.15Å; N3525-C3528 VanDerWaalsContact O-CB 3.31Å; N3525-C3528 WeakPolarHBondContact O-CB 3.32Å; N3525-C3528 PolarHBondContact O-N 3.25Å; N3525-C3528 VanDerWaalsContact O-N 3.14Å; N3525-I3529 WeakPolarHBondContact O-CG1 3.48Å; N3525-I3529 PolarHBondContact O-N 3.09Å
3526D83.2Confident81.4Confident7 Ų737.2 Ų37.24%0.03720%0.196CC..Hα-helixtrans-61.7-39.3172.3-58.4-62.7000111P3389 K3392 L3522 N3523 C3528 I3529 I3530P3389-D3526 HydrophobicContact CB-CB 4.06Å; P3389-D3526 HydrophobicContact CG-CB 3.83Å; K3392-D3526 WeakPolarHBondContact CD-OD1 3.36Å; K3392-D3526 IonicContact NZ-OD1 3Å; K3392-D3526 PolarHBondContact NZ-OD1 2.81Å; K3392-D3526 IonicContact NZ-OD2 3.78Å; K3392-D3526 PolarHBondContact NZ-OD2 3.39Å; L3522-D3526 VanDerWaalsContact CA-OD2 3.27Å; L3522-D3526 WeakPolarHBondContact CA-OD2 3.46Å; L3522-D3526 HydrophobicContact CB-CB 4.04Å; L3522-D3526 HydrophobicContact CD2-CB 4.13Å; L3522-D3526 HydrophobicContact CG-CB 4.5Å; N3523-D3526 PolarHBondContact N-OD2 3.47Å; N3523-D3526 WeakPolarHBondContact O-CB 3.38Å; N3523-D3526 PolarHBondContact O-N 3.08Å; N3523-D3526 VanDerWaalsContact O-N 3.08Å; N3523-D3526 PolarHBondContact OD1-N 2.84Å; N3523-D3526 PolarHBondContact OD1-OD2 3.07Å; N3523-D3526 VanDerWaalsContact OD1-OD2 3.07Å; D3526-C3528 VanDerWaalsContact C-N 3.3Å; D3526-C3528 PolarHBondContact O-N 2.89Å; D3526-I3529 WeakPolarHBondContact O-CB 3.3Å; D3526-I3529 PolarHBondContact O-N 2.84Å; D3526-I3530 WeakPolarHBondContact O-CD1 3.4Å; D3526-I3530 WeakPolarHBondContact O-CG1 3.36Å; D3526-I3530 PolarHBondContact O-N 3.16Å
3527F85.9Confident82Confident0.5 Ų0.538.1 Ų38.10%0.00220%0.2CC..Hα-helixtrans-62-38173.3-168.9-90.9000112.7N3523 L3524 N3525 I3529 I3530 Y3531 R3534 A3535 L3538 L3649 C3652 L3653N3523-F3527 PolarHBondContact O-N 3.18Å; L3524-F3527 HydrophobicContact CD1-CB 4.46Å; L3524-F3527 WeakPolarHBondContact O-CB 3.4Å; L3524-F3527 PolarHBondContact O-N 3.22Å; N3525-F3527 VanDerWaalsContact C-N 3.28Å; N3525-F3527 PolarHBondContact O-N 3.15Å; F3527-I3529 VanDerWaalsContact C-N 3.25Å; F3527-I3529 PolarHBondContact O-N 3.05Å; F3527-I3530 PolarHBondContact O-N 3.47Å; F3527-I3530 VanDerWaalsContact O-N 3.14Å; F3527-Y3531 AromaticContact CD2-CD2 3.85Å; F3527-Y3531 HydrophobicContact CD2-CD2 3.85Å; F3527-Y3531 HydrophobicContact CD2-CE2 4.46Å; F3527-Y3531 HydrophobicContact CE1-CD2 4.31Å; F3527-Y3531 HydrophobicContact CE1-CG 4.42Å; F3527-Y3531 AromaticContact CE2-CD2 3.44Å; F3527-Y3531 HydrophobicContact CE2-CD2 3.44Å; F3527-Y3531 VanDerWaalsContact CE2-CD2 3.49Å; F3527-Y3531 AromaticContact CE2-CE2 3.96Å; F3527-Y3531 HydrophobicContact CE2-CE2 4Å; F3527-Y3531 HydrophobicContact CE2-CG 4.21Å; F3527-Y3531 HydrophobicContact CG-CD2 4.45Å; F3527-Y3531 AromaticContact CZ-CD2 3.7Å; F3527-Y3531 HydrophobicContact CZ-CD2 3.7Å; F3527-Y3531 AromaticContact CZ-CG 3.96Å; F3527-Y3531 HydrophobicContact CZ-CG 4Å; F3527-Y3531 PolarHBondContact O-N 3.22Å; F3527-R3534 HydrophobicContact CE1-CB 3.92Å; F3527-R3534 HydrophobicContact CZ-CB 4.1Å; F3527-A3535 HydrophobicContact CD1-CB 3.86Å; F3527-A3535 HydrophobicContact CE1-CB 4.18Å; F3527-L3538 HydrophobicContact CD1-CD1 3.67Å; F3527-L3538 HydrophobicContact CE1-CD1 3.29Å; F3527-L3538 HydrophobicContact CE1-CG 4.06Å; F3527-L3538 HydrophobicContact CE2-CD1 4.32Å; F3527-L3538 HydrophobicContact CG-CD1 4.34Å; F3527-L3538 HydrophobicContact CZ-CD1 3.66Å; F3527-L3649 HydrophobicContact CB-CD2 3.82Å; F3527-L3649 HydrophobicContact CD1-CD2 4.38Å; F3527-L3649 HydrophobicContact CD2-CD2 3.62Å; F3527-L3649 HydrophobicContact CE2-CD2 4.27Å; F3527-L3649 HydrophobicContact CG-CD2 3.68Å; F3527-C3652 HydrophobicContact CD2-CB 4.26Å; F3527-C3652 HydrophobicContact CE2-CB 3.79Å; F3527-L3653 HydrophobicContact CB-CD1 4.18Å; F3527-L3653 HydrophobicContact CB-CD2 4.42Å; F3527-L3653 HydrophobicContact CD2-CD1 4.44Å; F3527-L3653 HydrophobicContact CD2-CD2 4.12Å; F3527-L3653 HydrophobicContact CD2-CG 4.21Å
3528C86.2Confident82.4Confident26 Ų2636.9 Ų36.918%0.17620%0.196CC..Hα-helixtrans-60.5-34.4176.4-64.40000112.7L3524 N3525 D3526 P3532 A3535 K3539L3524-C3528 PolarHBondContact O-N 3.02Å; L3524-C3528 PolarHBondContact O-SG 3.08Å; N3525-C3528 VanDerWaalsContact O-CB 3.31Å; N3525-C3528 WeakPolarHBondContact O-CB 3.32Å; N3525-C3528 PolarHBondContact O-N 3.25Å; N3525-C3528 VanDerWaalsContact O-N 3.14Å; D3526-C3528 VanDerWaalsContact C-N 3.3Å; D3526-C3528 PolarHBondContact O-N 2.89Å; C3528-P3532 VanDerWaalsContact O-CA 3.31Å; C3528-P3532 WeakPolarHBondContact O-CA 3.23Å; C3528-A3535 HydrophobicContact CB-CB 4.07Å; C3528-K3539 WeakPolarHBondContact SG-CE 3.33Å
3529I86.4Confident82.4Confident44 Ų4442.4 Ų42.423%0.22622%0.219CC..Hα-helixtrans-71.4-37.8177.9-62.4169.3000110.6L2875 Y3345 P3389 N3525 D3526 F3527L2875-I3529 HydrophobicContact CD1-CD1 4.22Å; L2875-I3529 HydrophobicContact CD2-CD1 3.7Å; Y3345-I3529 VanDerWaalsContact CB-O 3.26Å; Y3345-I3529 WeakPolarHBondContact CB-O 3.34Å; Y3345-I3529 WeakPolarHBondContact CD2-O 3.44Å; Y3345-I3529 HydrophobicContact CG-CG2 4.46Å; Y3345-I3529 VanDerWaalsContact CG-O 3.32Å; P3389-I3529 HydrophobicContact CG-CB 4.27Å; P3389-I3529 HydrophobicContact CG-CD1 4.37Å; P3389-I3529 HydrophobicContact CG-CG2 4.27Å; N3525-I3529 WeakPolarHBondContact O-CG1 3.48Å; N3525-I3529 PolarHBondContact O-N 3.09Å; D3526-I3529 WeakPolarHBondContact O-CB 3.3Å; D3526-I3529 PolarHBondContact O-N 2.84Å; F3527-I3529 VanDerWaalsContact C-N 3.25Å; F3527-I3529 PolarHBondContact O-N 3.05Å
3530I89.3Confident82.9Confident20 Ų2044.5 Ų44.510%0.10323%0.226CC..Hα-helixtrans-83.7-42.1-174.9-57156.7000111.8V3286 F3348 P3389 D3526 F3527 L3653V3286-I3530 HydrophobicContact CG2-CG2 4.05Å; F3348-I3530 HydrophobicContact CB-CG1 4.15Å; F3348-I3530 HydrophobicContact CB-CG2 3.99Å; F3348-I3530 HydrophobicContact CD1-CD1 3.75Å; F3348-I3530 HydrophobicContact CD1-CG1 4.15Å; F3348-I3530 HydrophobicContact CD1-CG2 3.74Å; F3348-I3530 HydrophobicContact CD2-CD1 3.67Å; F3348-I3530 HydrophobicContact CD2-CG1 4.04Å; F3348-I3530 HydrophobicContact CE1-CD1 3.73Å; F3348-I3530 HydrophobicContact CE1-CG2 4.48Å; F3348-I3530 HydrophobicContact CE2-CD1 3.65Å; F3348-I3530 HydrophobicContact CE2-CG1 4.48Å; F3348-I3530 HydrophobicContact CG-CD1 3.72Å; F3348-I3530 HydrophobicContact CG-CG1 3.84Å; F3348-I3530 HydrophobicContact CG-CG2 3.99Å; F3348-I3530 HydrophobicContact CZ-CD1 3.66Å; P3389-I3530 HydrophobicContact CB-CD1 3.9Å; P3389-I3530 HydrophobicContact CB-CG1 4.34Å; P3389-I3530 HydrophobicContact CG-CD1 4.03Å; P3389-I3530 HydrophobicContact CG-CG1 4.04Å; D3526-I3530 WeakPolarHBondContact O-CD1 3.4Å; D3526-I3530 WeakPolarHBondContact O-CG1 3.36Å; D3526-I3530 PolarHBondContact O-N 3.16Å; F3527-I3530 PolarHBondContact O-N 3.47Å; F3527-I3530 VanDerWaalsContact O-N 3.14Å; I3530-L3653 HydrophobicContact CD1-CD2 3.57Å
3531Y89.1Confident83.7Confident9 Ų942.7 Ų42.74%0.03521%0.207CC..  trans-130.167.7-174.9-60.2-80.8000111.4V3286 P3351 F3527 E3533 R3534 A3535 C3652V3286-Y3531 HydrophobicContact CG1-CD1 4.16Å; V3286-Y3531 HydrophobicContact CG1-CE1 3.51Å; V3286-Y3531 HydrophobicContact CG2-CE1 4.23Å; V3286-Y3531 VanDerWaalsContact CG2-OH 3.27Å; V3286-Y3531 WeakPolarHBondContact CG2-OH 3.47Å; P3351-Y3531 WeakPolarHBondContact CD-OH 3.36Å; P3351-Y3531 VanDerWaalsContact CG-OH 3.3Å; P3351-Y3531 WeakPolarHBondContact CG-OH 3.1Å; F3527-Y3531 AromaticContact CD2-CD2 3.85Å; F3527-Y3531 HydrophobicContact CD2-CD2 3.85Å; F3527-Y3531 HydrophobicContact CD2-CE2 4.46Å; F3527-Y3531 HydrophobicContact CE1-CD2 4.31Å; F3527-Y3531 HydrophobicContact CE1-CG 4.42Å; F3527-Y3531 AromaticContact CE2-CD2 3.44Å; F3527-Y3531 HydrophobicContact CE2-CD2 3.44Å; F3527-Y3531 VanDerWaalsContact CE2-CD2 3.49Å; F3527-Y3531 AromaticContact CE2-CE2 3.96Å; F3527-Y3531 HydrophobicContact CE2-CE2 4Å; F3527-Y3531 HydrophobicContact CE2-CG 4.21Å; F3527-Y3531 HydrophobicContact CG-CD2 4.45Å; F3527-Y3531 AromaticContact CZ-CD2 3.7Å; F3527-Y3531 HydrophobicContact CZ-CD2 3.7Å; F3527-Y3531 AromaticContact CZ-CG 3.96Å; F3527-Y3531 HydrophobicContact CZ-CG 4Å; F3527-Y3531 PolarHBondContact O-N 3.22Å; Y3531-E3533 VanDerWaalsContact C-N 3.32Å; Y3531-E3533 PolarHBondContact O-N 3.15Å; Y3531-R3534 PolarHBondContact O-N 3.21Å; Y3531-R3534 VanDerWaalsContact O-N 3.14Å; Y3531-A3535 VanDerWaalsContact O-CB 3.25Å; Y3531-A3535 WeakPolarHBondContact O-CB 3.23Å; Y3531-A3535 PolarHBondContact O-N 3.43Å; Y3531-C3652 HydrophobicContact CE2-CB 4.14Å
3532P86.5Confident83.9Confident54 Ų5442.6 Ų42.635%0.35121%0.209SC..Hα-helixtrans-55.7-42.9-173.222.5-35.4000113.4Y3345 C3528 A3535 Q3536Y3345-P3532 HydrophobicContact CD2-CG 4.34Å; Y3345-P3532 HydrophobicContact CE2-CB 4.4Å; Y3345-P3532 HydrophobicContact CE2-CG 3.88Å; C3528-P3532 VanDerWaalsContact O-CA 3.31Å; C3528-P3532 WeakPolarHBondContact O-CA 3.23Å; P3532-A3535 PolarHBondContact O-N 3.31Å; P3532-Q3536 PolarHBondContact O-N 2.67Å; P3532-Q3536 VanDerWaalsContact O-N 3.07Å
3533E85.6Confident83.9Confident130.5 Ų130.544.7 Ų44.761%0.6122%0.218SC*.Hα-helixtrans-63.4-47.8178.3-64.3172.8-178.500112.1Y3531 A3535 Q3536Y3531-E3533 VanDerWaalsContact C-N 3.32Å; Y3531-E3533 PolarHBondContact O-N 3.15Å; E3533-A3535 VanDerWaalsContact C-N 3.31Å; E3533-A3535 PolarHBondContact O-N 3.32Å; E3533-Q3536 PolarHBondContact O-N 3.31Å
3534R88.5Confident84.4Confident72.5 Ų72.543.6 Ų43.627%0.27421%0.212SC..Hα-helixtrans-68.1-34.8178.5-57.9-177179.1-154.9-6.6111.3F3527 Y3531 Q3536 F3537 L3538 F3582 L3583 P3584 S3585F3527-R3534 HydrophobicContact CE1-CB 3.92Å; F3527-R3534 HydrophobicContact CZ-CB 4.1Å; Y3531-R3534 PolarHBondContact O-N 3.21Å; Y3531-R3534 VanDerWaalsContact O-N 3.14Å; R3534-Q3536 VanDerWaalsContact C-N 3.26Å; R3534-Q3536 PolarHBondContact O-N 3.33Å; R3534-F3537 PolarHBondContact O-N 3.39Å; R3534-F3537 VanDerWaalsContact O-N 3.16Å; R3534-L3538 WeakPolarHBondContact O-CG 3.46Å; R3534-L3538 PolarHBondContact O-N 3.27Å; R3534-F3582 VanDerWaalsContact NH1-CE2 3.3Å; R3534-L3583 VanDerWaalsContact CZ-O 3.25Å; R3534-L3583 PolarHBondContact NH1-O 3.22Å; R3534-L3583 PolarHBondContact NH2-O 3.09Å; R3534-P3584 PolarHBondContact NH2-O 3.22Å; R3534-S3585 PolarHBondContact NH2-OG 3.37Å
3535A84.7Confident84.5Confident2 Ų244.9 Ų44.92%0.01722%0.217CC..Hα-helixtrans-65.7-28.9-179.200000112.7F3527 C3528 Y3531 P3532 E3533 F3537 L3538 K3539F3527-A3535 HydrophobicContact CD1-CB 3.86Å; F3527-A3535 HydrophobicContact CE1-CB 4.18Å; C3528-A3535 HydrophobicContact CB-CB 4.07Å; Y3531-A3535 VanDerWaalsContact O-CB 3.25Å; Y3531-A3535 WeakPolarHBondContact O-CB 3.23Å; Y3531-A3535 PolarHBondContact O-N 3.43Å; P3532-A3535 PolarHBondContact O-N 3.31Å; E3533-A3535 VanDerWaalsContact C-N 3.31Å; E3533-A3535 PolarHBondContact O-N 3.32Å; A3535-F3537 VanDerWaalsContact C-N 3.32Å; A3535-F3537 PolarHBondContact O-N 3Å; A3535-L3538 PolarHBondContact O-N 3.36Å; A3535-K3539 WeakPolarHBondContact O-CB 3.28Å; A3535-K3539 VanDerWaalsContact O-CG 3.28Å; A3535-K3539 WeakPolarHBondContact O-CG 3.35Å; A3535-K3539 PolarHBondContact O-N 3.25Å
3536Q86.9Confident84.4Confident140.5 Ų140.546.5 Ų46.566%0.65722%0.219SC*.Hα-helixtrans-58.9-45.4172.2-118.9175.74.200111.1P3532 E3533 R3534 K3539 Q3540P3532-Q3536 PolarHBondContact O-N 2.67Å; P3532-Q3536 VanDerWaalsContact O-N 3.07Å; E3533-Q3536 PolarHBondContact O-N 3.31Å; R3534-Q3536 VanDerWaalsContact C-N 3.26Å; R3534-Q3536 PolarHBondContact O-N 3.33Å; Q3536-K3539 PolarHBondContact O-N 2.92Å; Q3536-Q3540 PolarHBondContact O-N 3.32Å
3537F88.8Confident84.2Confident45.5 Ų45.549.7 Ų49.720%0.223%0.23CC..Hα-helixtrans-66.6-44174.6-178.9-117.5000112.2R3534 A3535 K3539 Q3540 I3541 F3569 L3576 L3578 Y3644R3534-F3537 PolarHBondContact O-N 3.39Å; R3534-F3537 VanDerWaalsContact O-N 3.16Å; A3535-F3537 VanDerWaalsContact C-N 3.32Å; A3535-F3537 PolarHBondContact O-N 3Å; F3537-K3539 VanDerWaalsContact C-N 3.26Å; F3537-K3539 PolarHBondContact O-N 2.91Å; F3537-Q3540 WeakPolarHBondContact O-CA 3.37Å; F3537-Q3540 WeakPolarHBondContact O-CB 3.35Å; F3537-Q3540 PolarHBondContact O-N 2.99Å; F3537-I3541 HydrophobicContact CD1-CD1 4.07Å; F3537-I3541 HydrophobicContact CE1-CD1 3.66Å; F3537-I3541 HydrophobicContact CE1-CG1 4.19Å; F3537-I3541 HydrophobicContact CE2-CG1 4.48Å; F3537-I3541 HydrophobicContact CZ-CD1 4.06Å; F3537-I3541 HydrophobicContact CZ-CG1 4.16Å; F3537-I3541 WeakPolarHBondContact O-CG1 3.4Å; F3537-I3541 PolarHBondContact O-N 3.39Å; F3537-F3569 HydrophobicContact CD2-CD1 4.39Å; F3537-F3569 HydrophobicContact CD2-CE1 4.47Å; F3537-F3569 AromaticContact CE2-CD1 3.8Å; F3537-F3569 HydrophobicContact CE2-CD1 3.8Å; F3537-F3569 AromaticContact CE2-CE1 3.87Å; F3537-F3569 HydrophobicContact CE2-CE1 3.87Å; F3537-L3576 HydrophobicContact CE2-CD1 3.78Å; F3537-L3576 HydrophobicContact CZ-CD1 3.95Å; F3537-L3578 HydrophobicContact CE1-CD1 3.58Å; F3537-L3578 HydrophobicContact CE2-CD1 4.4Å; F3537-L3578 HydrophobicContact CZ-CD1 3.4Å; F3537-L3578 VanDerWaalsContact CZ-CD1 3.47Å; F3537-Y3644 HydrophobicContact CE1-CE1 4.11Å
3538L86.6Confident83.9Confident4 Ų451.6 Ų51.62%0.02124%0.238CC..Hα-helixtrans-63.2-31.5177.5-59.8-165.8000112.9L3524 F3527 R3534 A3535 I3541 T3542 L3645 L3649L3524-L3538 HydrophobicContact CD1-CB 4.06Å; L3524-L3538 HydrophobicContact CD1-CD1 4.35Å; F3527-L3538 HydrophobicContact CD1-CD1 3.67Å; F3527-L3538 HydrophobicContact CE1-CD1 3.29Å; F3527-L3538 HydrophobicContact CE1-CG 4.06Å; F3527-L3538 HydrophobicContact CE2-CD1 4.32Å; F3527-L3538 HydrophobicContact CG-CD1 4.34Å; F3527-L3538 HydrophobicContact CZ-CD1 3.66Å; R3534-L3538 WeakPolarHBondContact O-CG 3.46Å; R3534-L3538 PolarHBondContact O-N 3.27Å; A3535-L3538 PolarHBondContact O-N 3.36Å; L3538-I3541 HydrophobicContact CD2-CD1 3.8Å; L3538-I3541 PolarHBondContact O-N 3.09Å; L3538-T3542 WeakPolarHBondContact O-CB 3.32Å; L3538-T3542 PolarHBondContact O-N 3.14Å; L3538-T3542 PolarHBondContact O-OG1 3.11Å; L3538-L3645 HydrophobicContact CB-CD1 3.84Å; L3538-L3645 HydrophobicContact CD1-CD1 3.86Å; L3538-L3645 HydrophobicContact CD2-CD1 3.76Å; L3538-L3645 HydrophobicContact CG-CD1 4.01Å; L3538-L3649 HydrophobicContact CD1-CD2 3.93Å; L3538-L3649 HydrophobicContact CD1-CG 4.4Å
3539K81.8Confident83.2Confident115.5 Ų115.552.9 Ų52.950%0.50225%0.248SC..Hα-helixtrans-64.1-40.2171.1-77.6178.8-179.9-173.60111.7C3528 A3535 Q3536 F3537 I3541 T3542 E3543C3528-K3539 WeakPolarHBondContact SG-CE 3.33Å; A3535-K3539 WeakPolarHBondContact O-CB 3.28Å; A3535-K3539 VanDerWaalsContact O-CG 3.28Å; A3535-K3539 WeakPolarHBondContact O-CG 3.35Å; A3535-K3539 PolarHBondContact O-N 3.25Å; Q3536-K3539 PolarHBondContact O-N 2.92Å; F3537-K3539 VanDerWaalsContact C-N 3.26Å; F3537-K3539 PolarHBondContact O-N 2.91Å; K3539-I3541 VanDerWaalsContact C-N 3.34Å; K3539-T3542 WeakPolarHBondContact O-CB 3.33Å; K3539-T3542 PolarHBondContact O-N 3.3Å; K3539-E3543 PolarHBondContact O-N 3.1Å
3540Q85.1Confident82.5Confident73.5 Ų73.555.4 Ų55.434%0.34327%0.265SS..Hα-helixtrans-63.4-41.8173.3-67.4172.3-39.100111.8Q3536 F3537 T3542 E3543 F3544 I3568 F3569Q3536-Q3540 PolarHBondContact O-N 3.32Å; F3537-Q3540 WeakPolarHBondContact O-CA 3.37Å; F3537-Q3540 WeakPolarHBondContact O-CB 3.35Å; F3537-Q3540 PolarHBondContact O-N 2.99Å; Q3540-T3542 VanDerWaalsContact C-N 3.29Å; Q3540-T3542 PolarHBondContact O-N 2.98Å; Q3540-E3543 PolarHBondContact O-N 3.22Å; Q3540-F3544 WeakPolarHBondContact O-CB 3.43Å; Q3540-F3544 PolarHBondContact O-N 3.23Å; Q3540-I3568 HydrophobicContact CB-CG2 4.05Å; Q3540-I3568 PolarHBondContact NE2-O 2.97Å; Q3540-F3569 HydrophobicContact CB-CD1 3.97Å; Q3540-F3569 HydrophobicContact CB-CE1 3.67Å
3541I84.4Confident81.5Confident0.5 Ų0.558.5 Ų58.50%0.00328%0.281CS..Hα-helixtrans-59.5-43173.4-56.6176.5000110.9F3537 L3538 K3539 F3544 H3545 F3569 I3641 Y3644 L3645F3537-I3541 HydrophobicContact CD1-CD1 4.07Å; F3537-I3541 HydrophobicContact CE1-CD1 3.66Å; F3537-I3541 HydrophobicContact CE1-CG1 4.19Å; F3537-I3541 HydrophobicContact CE2-CG1 4.48Å; F3537-I3541 HydrophobicContact CZ-CD1 4.06Å; F3537-I3541 HydrophobicContact CZ-CG1 4.16Å; F3537-I3541 WeakPolarHBondContact O-CG1 3.4Å; F3537-I3541 PolarHBondContact O-N 3.39Å; L3538-I3541 HydrophobicContact CD2-CD1 3.8Å; L3538-I3541 PolarHBondContact O-N 3.09Å; K3539-I3541 VanDerWaalsContact C-N 3.34Å; I3541-F3544 PolarHBondContact O-N 2.95Å; I3541-H3545 WeakPolarHBondContact O-CB 3.4Å; I3541-H3545 PolarHBondContact O-N 3.2Å; I3541-F3569 HydrophobicContact CG1-CE1 4.15Å; I3541-F3569 HydrophobicContact CG1-CZ 4.29Å; I3541-I3641 HydrophobicContact CB-CD1 4.36Å; I3541-I3641 HydrophobicContact CD1-CD1 4.14Å; I3541-I3641 HydrophobicContact CD1-CG1 3.99Å; I3541-I3641 HydrophobicContact CG1-CD1 3.72Å; I3541-I3641 HydrophobicContact CG1-CG1 4.07Å; I3541-I3641 HydrophobicContact CG2-CD1 4Å; I3541-I3641 HydrophobicContact CG2-CG1 3.89Å; I3541-I3641 HydrophobicContact CG2-CG2 4.47Å; I3541-Y3644 HydrophobicContact CD1-CD1 4.2Å; I3541-L3645 HydrophobicContact CG2-CB 4.14Å; I3541-L3645 HydrophobicContact CG2-CD2 4.01Å
3542T77.5Confident80.3Confident29.5 Ų29.561.6 Ų61.618%0.18130%0.304CS..Hα-helixtrans-63.6-43.9179.4-56.20000111N3482 A3484 I3488 L3524 L3538 K3539 Q3540 H3545 R3546N3482-T3542 WeakPolarHBondContact OD1-CG2 3.31Å; A3484-T3542 VanDerWaalsContact C-CG2 3.46Å; A3484-T3542 HydrophobicContact CB-CG2 3.48Å; A3484-T3542 VanDerWaalsContact CB-CG2 3.48Å; A3484-T3542 WeakPolarHBondContact CB-O 3.45Å; I3488-T3542 HydrophobicContact CD1-CG2 4.21Å; L3524-T3542 HydrophobicContact CD2-CG2 4.23Å; L3538-T3542 WeakPolarHBondContact O-CB 3.32Å; L3538-T3542 PolarHBondContact O-N 3.14Å; L3538-T3542 PolarHBondContact O-OG1 3.11Å; K3539-T3542 WeakPolarHBondContact O-CB 3.33Å; K3539-T3542 PolarHBondContact O-N 3.3Å; Q3540-T3542 VanDerWaalsContact C-N 3.29Å; Q3540-T3542 PolarHBondContact O-N 2.98Å; T3542-H3545 PolarHBondContact O-N 2.85Å; T3542-R3546 PolarHBondContact O-N 3.41Å
3543E78.5Confident78.9Confident58 Ų5866.5 Ų66.527%0.27133%0.327SS..Hα-helixtrans-64.8-42.4174.9-179.4114-167.800112.5K3539 Q3540 H3545 R3546 R3547 I3568K3539-E3543 PolarHBondContact O-N 3.1Å; Q3540-E3543 PolarHBondContact O-N 3.22Å; E3543-H3545 VanDerWaalsContact C-N 3.34Å; E3543-H3545 PolarHBondContact O-N 3.18Å; E3543-R3546 WeakPolarHBondContact O-CB 3.37Å; E3543-R3546 PolarHBondContact O-N 3.02Å; E3543-R3546 IonicContact OE1-CZ 3.56Å; E3543-R3546 IonicContact OE1-NE 3.58Å; E3543-R3546 PolarHBondContact OE1-NE 2.8Å; E3543-R3546 IonicContact OE1-NH2 2.68Å; E3543-R3546 PolarHBondContact OE1-NH2 2.96Å; E3543-R3546 IonicContact OE2-CZ 3.77Å; E3543-R3546 IonicContact OE2-NE 2.71Å; E3543-R3546 PolarHBondContact OE2-NE 3.43Å; E3543-R3546 IonicContact OE2-NH2 3.21Å; E3543-R3546 PolarHBondContact OE2-NH2 3.28Å; E3543-R3547 PolarHBondContact O-N 2.99Å; E3543-R3547 WeakPolarHBondContact OE1-CD 3.41Å; E3543-R3547 WeakPolarHBondContact OE1-CG 3.48Å; E3543-R3547 IonicContact OE1-CZ 3.86Å; E3543-R3547 VanDerWaalsContact OE1-CZ 3.26Å; E3543-R3547 IonicContact OE1-NE 2.68Å; E3543-R3547 PolarHBondContact OE1-NE 3.09Å; E3543-R3547 VanDerWaalsContact OE1-NE 3.11Å; E3543-R3547 IonicContact OE1-NH2 2.69Å; E3543-R3547 PolarHBondContact OE1-NH2 3.07Å; E3543-I3568 HydrophobicContact CG-CD1 4.39Å
3544F83.2Confident77.2Confident1 Ų162.4 Ų62.40%0.00432%0.32CS..Hα-helixtrans-57.4-46.7174.1171.4-96.9000111.4Q3540 I3541 R3546 R3547 K3548 I3561 L3564 A3565 I3568 F3569 V3638 I3641Q3540-F3544 WeakPolarHBondContact O-CB 3.43Å; Q3540-F3544 PolarHBondContact O-N 3.23Å; I3541-F3544 PolarHBondContact O-N 2.95Å; F3544-R3546 VanDerWaalsContact C-N 3.33Å; F3544-R3546 PolarHBondContact O-N 3.34Å; F3544-R3547 PolarHBondContact O-N 3.21Å; F3544-K3548 HydrophobicContact CE1-CB 4.47Å; F3544-K3548 HydrophobicContact CE1-CD 3.68Å; F3544-K3548 HydrophobicContact CZ-CB 4.43Å; F3544-K3548 HydrophobicContact CZ-CD 3.83Å; F3544-K3548 WeakPolarHBondContact O-CB 3.36Å; F3544-K3548 PolarHBondContact O-N 2.98Å; F3544-I3561 HydrophobicContact CE2-CG2 4.27Å; F3544-I3561 HydrophobicContact CZ-CG2 3.77Å; F3544-L3564 HydrophobicContact CD2-CD2 4.11Å; F3544-L3564 HydrophobicContact CD2-CG 4.05Å; F3544-L3564 HydrophobicContact CE2-CB 4.25Å; F3544-L3564 HydrophobicContact CE2-CD2 3.99Å; F3544-L3564 HydrophobicContact CE2-CG 4.08Å; F3544-A3565 HydrophobicContact CD2-CB 4.3Å; F3544-A3565 HydrophobicContact CE2-CB 3.8Å; F3544-A3565 HydrophobicContact CZ-CB 4.33Å; F3544-I3568 HydrophobicContact CB-CD1 3.88Å; F3544-I3568 HydrophobicContact CB-CG2 4.36Å; F3544-I3568 HydrophobicContact CD2-CD1 4.17Å; F3544-I3568 HydrophobicContact CG-CD1 4.42Å; F3544-F3569 HydrophobicContact CB-CE2 4.02Å; F3544-F3569 HydrophobicContact CB-CZ 3.8Å; F3544-F3569 HydrophobicContact CD1-CE2 4.43Å; F3544-F3569 HydrophobicContact CD1-CZ 4.49Å; F3544-F3569 AromaticContact CD2-CE2 3.98Å; F3544-F3569 HydrophobicContact CD2-CE2 4.02Å; F3544-F3569 AromaticContact CG-CE2 3.88Å; F3544-F3569 HydrophobicContact CG-CE2 3.88Å; F3544-F3569 AromaticContact CG-CZ 3.99Å; F3544-F3569 HydrophobicContact CG-CZ 4.07Å; F3544-V3638 HydrophobicContact CE1-CG1 4.1Å; F3544-V3638 HydrophobicContact CE2-CG1 4.43Å; F3544-V3638 HydrophobicContact CZ-CG1 3.51Å; F3544-I3641 HydrophobicContact CD1-CG2 4.19Å; F3544-I3641 HydrophobicContact CE1-CG2 4.1Å
3545H78.5Confident75.7Confident49.5 Ų49.566.7 Ų66.723%0.22935%0.348CS..Hα-helixtrans-61.2-41.6176-179-105.2000112.3A3484 I3541 T3542 E3543 R3547 K3548 S3549 E3642A3484-H3545 HydrophobicContact CB-CB 4.43Å; I3541-H3545 WeakPolarHBondContact O-CB 3.4Å; I3541-H3545 PolarHBondContact O-N 3.2Å; T3542-H3545 PolarHBondContact O-N 2.85Å; E3543-H3545 VanDerWaalsContact C-N 3.34Å; E3543-H3545 PolarHBondContact O-N 3.18Å; H3545-R3547 PolarHBondContact O-N 3.35Å; H3545-K3548 PolarHBondContact O-N 2.98Å; H3545-S3549 VanDerWaalsContact O-CB 3.32Å; H3545-S3549 WeakPolarHBondContact O-CB 3.41Å; H3545-S3549 PolarHBondContact O-N 2.91Å; H3545-S3549 PolarHBondContact O-OG 2.88Å; H3545-E3642 IonicContact CD2-OE1 3.86Å
3546R74.9Confident74.4Confident94.5 Ų94.569.3 Ų69.336%0.35736%0.364SS..Hα-helixtrans-58.9-49.7176.4-169.8-176.173.8107.9-6.1111.5E3480 L3483 A3484 T3542 E3543 F3544 S3549 T3550E3480-R3546 VanDerWaalsContact CD-NH1 3.31Å; E3480-R3546 IonicContact OE1-CZ 3.96Å; E3480-R3546 IonicContact OE1-NH1 3.08Å; E3480-R3546 PolarHBondContact OE1-NH1 2.83Å; E3480-R3546 IonicContact OE1-NH2 2.71Å; E3480-R3546 IonicContact OE2-CZ 2.83Å; E3480-R3546 IonicContact OE2-NH1 2.69Å; E3480-R3546 IonicContact OE2-NH2 2.87Å; E3480-R3546 PolarHBondContact OE2-NH2 3.16Å; L3483-R3546 HydrophobicContact CB-CG 4.48Å; A3484-R3546 HydrophobicContact CB-CB 3.92Å; T3542-R3546 PolarHBondContact O-N 3.41Å; E3543-R3546 WeakPolarHBondContact O-CB 3.37Å; E3543-R3546 PolarHBondContact O-N 3.02Å; E3543-R3546 IonicContact OE1-CZ 3.56Å; E3543-R3546 IonicContact OE1-NE 3.58Å; E3543-R3546 PolarHBondContact OE1-NE 2.8Å; E3543-R3546 IonicContact OE1-NH2 2.68Å; E3543-R3546 PolarHBondContact OE1-NH2 2.96Å; E3543-R3546 IonicContact OE2-CZ 3.77Å; E3543-R3546 IonicContact OE2-NE 2.71Å; E3543-R3546 PolarHBondContact OE2-NE 3.43Å; E3543-R3546 IonicContact OE2-NH2 3.21Å; E3543-R3546 PolarHBondContact OE2-NH2 3.28Å; F3544-R3546 VanDerWaalsContact C-N 3.33Å; F3544-R3546 PolarHBondContact O-N 3.34Å; R3546-S3549 WeakPolarHBondContact O-CB 3.45Å; R3546-S3549 PolarHBondContact O-N 3.14Å; R3546-T3550 PolarHBondContact O-N 3.02Å
3547R79.4Confident73.6Confident73 Ų7367.9 Ų67.928%0.27536%0.361SS..Hα-helixtrans-72.1-37.7-178.7-67.4-173.4124.5-172-0.1112.6E3543 F3544 H3545 S3549 T3550 M3551 L3564 E3567E3543-R3547 PolarHBondContact O-N 2.99Å; E3543-R3547 WeakPolarHBondContact OE1-CD 3.41Å; E3543-R3547 WeakPolarHBondContact OE1-CG 3.48Å; E3543-R3547 IonicContact OE1-CZ 3.86Å; E3543-R3547 VanDerWaalsContact OE1-CZ 3.26Å; E3543-R3547 IonicContact OE1-NE 2.68Å; E3543-R3547 PolarHBondContact OE1-NE 3.09Å; E3543-R3547 VanDerWaalsContact OE1-NE 3.11Å; E3543-R3547 IonicContact OE1-NH2 2.69Å; E3543-R3547 PolarHBondContact OE1-NH2 3.07Å; F3544-R3547 PolarHBondContact O-N 3.21Å; H3545-R3547 PolarHBondContact O-N 3.35Å; R3547-S3549 VanDerWaalsContact C-N 3.28Å; R3547-S3549 PolarHBondContact O-N 3.16Å; R3547-T3550 WeakPolarHBondContact CA-OG1 3.44Å; R3547-T3550 PolarHBondContact O-N 3.09Å; R3547-T3550 VanDerWaalsContact O-N 3.1Å; R3547-T3550 PolarHBondContact O-OG1 3.19Å; R3547-T3550 VanDerWaalsContact O-OG1 3.05Å; R3547-M3551 WeakPolarHBondContact O-CG 3.42Å; R3547-M3551 PolarHBondContact O-N 3.25Å; R3547-M3551 VanDerWaalsContact O-N 3.17Å; R3547-L3564 HydrophobicContact CB-CD1 3.96Å; R3547-L3564 HydrophobicContact CB-CD2 3.93Å; R3547-L3564 HydrophobicContact CB-CG 4.46Å; R3547-E3567 IonicContact CZ-OE1 3.44Å; R3547-E3567 IonicContact CZ-OE2 3.8Å; R3547-E3567 IonicContact NH1-OE1 3.23Å; R3547-E3567 PolarHBondContact NH1-OE1 2.84Å; R3547-E3567 IonicContact NH1-OE2 2.97Å; R3547-E3567 IonicContact NH2-OE1 3.56Å; R3547-E3567 PolarHBondContact NH2-OE1 3.06Å; R3547-E3567 IonicContact NH2-OE2 2.85Å; R3547-E3567 PolarHBondContact NH2-OE2 3.21Å
3548K80.4Confident73.1Confident40 Ų4071.8 Ų71.817%0.17438%0.38CS..Hα-helixtrans-57.6-42.1171.4179.9177.3173.8-175.70111.2F3544 H3545 M3551 S3552 I3561 L3564 V3638 E3642F3544-K3548 HydrophobicContact CE1-CB 4.47Å; F3544-K3548 HydrophobicContact CE1-CD 3.68Å; F3544-K3548 HydrophobicContact CZ-CB 4.43Å; F3544-K3548 HydrophobicContact CZ-CD 3.83Å; F3544-K3548 WeakPolarHBondContact O-CB 3.36Å; F3544-K3548 PolarHBondContact O-N 2.98Å; H3545-K3548 PolarHBondContact O-N 2.98Å; K3548-M3551 PolarHBondContact O-N 2.98Å; K3548-S3552 PolarHBondContact O-N 3.09Å; K3548-S3552 VanDerWaalsContact O-N 3.12Å; K3548-I3561 HydrophobicContact CD-CG2 4.13Å; K3548-I3561 HydrophobicContact CG-CG2 4.31Å; K3548-L3564 HydrophobicContact CB-CD2 4.23Å; K3548-V3638 PolarHBondContact NZ-O 3.3Å; K3548-E3642 IonicContact NZ-OE1 2.71Å; K3548-E3642 PolarHBondContact NZ-OE1 3.29Å; K3548-E3642 IonicContact NZ-OE2 3.89Å
3549S70.6Confident72.9Confident53 Ų5378.5 Ų78.537%0.37141%0.409SS..Hα-helixtrans-64.2-42.4177.4-1150000112.8H3545 R3546 R3547 M3551 S3552H3545-S3549 VanDerWaalsContact O-CB 3.32Å; H3545-S3549 WeakPolarHBondContact O-CB 3.41Å; H3545-S3549 PolarHBondContact O-N 2.91Å; H3545-S3549 PolarHBondContact O-OG 2.88Å; R3546-S3549 WeakPolarHBondContact O-CB 3.45Å; R3546-S3549 PolarHBondContact O-N 3.14Å; R3547-S3549 VanDerWaalsContact C-N 3.28Å; R3547-S3549 PolarHBondContact O-N 3.16Å; S3549-M3551 VanDerWaalsContact C-N 3.3Å; S3549-M3551 PolarHBondContact O-N 2.9Å; S3549-S3552 PolarHBondContact O-N 3.23Å
3550T71.4Confident72.9Confident97.5 Ų97.575.3 Ų75.360%0.59840%0.401SS*.Hα-helixtrans-66.9-29.7177.555.60000113.2R3546 R3547R3546-T3550 PolarHBondContact O-N 3.02Å; R3547-T3550 WeakPolarHBondContact CA-OG1 3.44Å; R3547-T3550 PolarHBondContact O-N 3.09Å; R3547-T3550 VanDerWaalsContact O-N 3.1Å; R3547-T3550 PolarHBondContact O-OG1 3.19Å; R3547-T3550 VanDerWaalsContact O-OG1 3.05Å
3551M70Confident72.9Confident85.5 Ų85.572.8 Ų72.842%0.42139%0.389SS..Hα-helixtrans-78.5-25.8175.5-64.8-167.875.100113.6R3547 K3548 S3549 N3553 G3554 T3556 C3560 L3564R3547-M3551 WeakPolarHBondContact O-CG 3.42Å; R3547-M3551 PolarHBondContact O-N 3.25Å; R3547-M3551 VanDerWaalsContact O-N 3.17Å; K3548-M3551 PolarHBondContact O-N 2.98Å; S3549-M3551 VanDerWaalsContact C-N 3.3Å; S3549-M3551 PolarHBondContact O-N 2.9Å; M3551-N3553 PolarHBondContact O-N 3.12Å; M3551-G3554 PolarHBondContact O-N 3.07Å; M3551-T3556 HydrophobicContact CB-CG2 4.2Å; M3551-T3556 WeakPolarHBondContact O-CG2 3.39Å; M3551-C3560 HydrophobicContact CE-CB 3.97Å; M3551-L3564 HydrophobicContact SD-CD2 3.94Å
3552S63Low72.9Confident74.5 Ų74.575.5 Ų75.552%0.52140%0.404SS..THydrogen-bonded Turntrans-67.6-6.1-173.1-159.70000115.4K3548 S3549 G3554K3548-S3552 PolarHBondContact O-N 3.09Å; K3548-S3552 VanDerWaalsContact O-N 3.12Å; S3549-S3552 PolarHBondContact O-N 3.23Å; S3552-G3554 VanDerWaalsContact C-N 3.26Å; S3552-G3554 PolarHBondContact O-N 3.14Å
3553N58Low73.3Confident155 Ų15578.4 Ų78.483%0.82942%0.418SS*.THydrogen-bonded Turntrans-77.8-1.9174.2-77.3-17.1000114M3551M3551-N3553 PolarHBondContact O-N 3.12Å
3554G49.5Very low73.7Confident46 Ų4676 Ų7647%0.47441%0.407SS..SBendtrans-133.2148.1170.600000111.1M3551 S3552 T3556M3551-G3554 PolarHBondContact O-N 3.07Å; S3552-G3554 VanDerWaalsContact C-N 3.26Å; S3552-G3554 PolarHBondContact O-N 3.14Å; G3554-T3556 WeakPolarHBondContact O-CG2 3.49Å; G3554-T3556 PolarHBondContact O-N 2.8Å
3555N55.6Low73.9Confident162.5 Ų162.576 Ų7687%0.86941%0.407SS*.  trans-43.194.9-174.7-159.133.7000112.8N3557N3555-N3557 PolarHBondContact O-N 3.17Å
3556T59.2Low74.4Confident57 Ų5776.7 Ų76.735%0.3542%0.415SS..  trans-80.2108.6-168.534.60000111M3551 G3554M3551-T3556 HydrophobicContact CB-CG2 4.2Å; M3551-T3556 WeakPolarHBondContact O-CG2 3.39Å; G3554-T3556 WeakPolarHBondContact O-CG2 3.49Å; G3554-T3556 PolarHBondContact O-N 2.8Å
3557N69.7Low75.2Confident110 Ų11078.1 Ų78.159%0.58843%0.425SS*.  trans-68.6132.5167.6-64.9-34.2000109.1N3555 K3559 C3560N3555-N3557 PolarHBondContact O-N 3.17Å; N3557-K3559 PolarHBondContact O-N 3.14Å; N3557-K3559 VanDerWaalsContact O-N 3.08Å; N3557-C3560 WeakPolarHBondContact O-CB 3.32Å; N3557-C3560 PolarHBondContact O-N 3.4Å
3558E78.5Confident75.5Confident127 Ų12775.7 Ų75.759%0.59342%0.418SS*.Hα-helixtrans-48.8-38.1176.8-72.4-174.813800112.5C3560 I3561 N3562E3558-C3560 VanDerWaalsContact C-N 3.28Å; E3558-C3560 PolarHBondContact O-N 2.95Å; E3558-I3561 WeakPolarHBondContact O-CA 3.29Å; E3558-I3561 WeakPolarHBondContact O-CB 3.45Å; E3558-I3561 PolarHBondContact O-N 3.22Å; E3558-I3561 VanDerWaalsContact O-N 3.1Å; E3558-N3562 PolarHBondContact O-N 2.95Å; E3558-N3562 PolarHBondContact O-OD1 3.02Å
3559K81.3Confident75.9Confident146.5 Ų146.574.9 Ų74.964%0.63742%0.415SS*.Hα-helixtrans-54.3-42.3176.4-173.2176.6178-177.50112.6N3557 I3561 N3562 D3563N3557-K3559 PolarHBondContact O-N 3.14Å; N3557-K3559 VanDerWaalsContact O-N 3.08Å; K3559-I3561 VanDerWaalsContact C-N 3.29Å; K3559-I3561 PolarHBondContact O-N 3.1Å; K3559-N3562 PolarHBondContact O-N 3.25Å; K3559-D3563 WeakPolarHBondContact CE-OD1 3.28Å; K3559-D3563 VanDerWaalsContact CE-OD2 3.29Å; K3559-D3563 WeakPolarHBondContact CE-OD2 3.47Å; K3559-D3563 WeakPolarHBondContact CG-OD2 3.37Å; K3559-D3563 WeakPolarHBondContact O-CB 3.36Å; K3559-D3563 PolarHBondContact O-N 3.31Å
3560C82.6Confident76.8Confident48 Ų4875.5 Ų75.532%0.32443%0.429SS..Hα-helixtrans-68.2-28.1179.8-115.30000112.4M3551 N3557 E3558 L3564M3551-C3560 HydrophobicContact CE-CB 3.97Å; N3557-C3560 WeakPolarHBondContact O-CB 3.32Å; N3557-C3560 PolarHBondContact O-N 3.4Å; E3558-C3560 VanDerWaalsContact C-N 3.28Å; E3558-C3560 PolarHBondContact O-N 2.95Å; C3560-L3564 WeakPolarHBondContact O-CB 3.34Å; C3560-L3564 PolarHBondContact O-N 3.17Å; C3560-L3564 VanDerWaalsContact O-N 3.08Å
3561I84.1Confident77.6Confident20.5 Ų20.572.6 Ų72.611%0.10541%0.413CS..Hα-helixtrans-77.1-39.1176.3-46.9179.8000110F3544 K3548 E3558 K3559 L3564 A3565 V3638F3544-I3561 HydrophobicContact CE2-CG2 4.27Å; F3544-I3561 HydrophobicContact CZ-CG2 3.77Å; K3548-I3561 HydrophobicContact CD-CG2 4.13Å; K3548-I3561 HydrophobicContact CG-CG2 4.31Å; E3558-I3561 WeakPolarHBondContact O-CA 3.29Å; E3558-I3561 WeakPolarHBondContact O-CB 3.45Å; E3558-I3561 PolarHBondContact O-N 3.22Å; E3558-I3561 VanDerWaalsContact O-N 3.1Å; K3559-I3561 VanDerWaalsContact C-N 3.29Å; K3559-I3561 PolarHBondContact O-N 3.1Å; I3561-L3564 WeakPolarHBondContact O-CB 3.29Å; I3561-L3564 PolarHBondContact O-N 3.39Å; I3561-A3565 PolarHBondContact O-N 3.07Å; I3561-V3638 HydrophobicContact CB-CG1 4.45Å; I3561-V3638 HydrophobicContact CG2-CG1 3.38Å
3562N85.1Confident78.3Confident57.5 Ų57.571 Ų7131%0.30741%0.405SS..Hα-helixtrans-68.8-42174.5-66.6-0.7000111.6E3558 K3559 L3564 A3565 V3566E3558-N3562 PolarHBondContact O-N 2.95Å; E3558-N3562 PolarHBondContact O-OD1 3.02Å; K3559-N3562 PolarHBondContact O-N 3.25Å; N3562-L3564 VanDerWaalsContact C-N 3.28Å; N3562-L3564 PolarHBondContact O-N 3.11Å; N3562-A3565 WeakPolarHBondContact O-CB 3.47Å; N3562-A3565 PolarHBondContact O-N 2.88Å; N3562-A3565 VanDerWaalsContact O-N 3.08Å; N3562-V3566 WeakPolarHBondContact O-CG2 3.3Å; N3562-V3566 PolarHBondContact O-N 3.33Å
3563D86.6Confident79.4Confident89 Ų8967.5 Ų67.548%0.47638%0.381SS..Hα-helixtrans-58.7-39.6174.2-67.6-20.9000110.5K3559 V3566 E3567K3559-D3563 WeakPolarHBondContact CE-OD1 3.28Å; K3559-D3563 VanDerWaalsContact CE-OD2 3.29Å; K3559-D3563 WeakPolarHBondContact CE-OD2 3.47Å; K3559-D3563 WeakPolarHBondContact CG-OD2 3.37Å; K3559-D3563 WeakPolarHBondContact O-CB 3.36Å; K3559-D3563 PolarHBondContact O-N 3.31Å; D3563-V3566 PolarHBondContact O-N 2.92Å; D3563-E3567 PolarHBondContact O-N 3.06Å; D3563-E3567 VanDerWaalsContact O-N 3.1Å
3564L87Confident80.7Confident8.5 Ų8.564.1 Ų64.15%0.04537%0.366CS..Hα-helixtrans-67.1-38173.4179.570.3000112.8F3544 R3547 K3548 M3551 C3560 I3561 N3562 E3567 I3568F3544-L3564 HydrophobicContact CD2-CD2 4.11Å; F3544-L3564 HydrophobicContact CD2-CG 4.05Å; F3544-L3564 HydrophobicContact CE2-CB 4.25Å; F3544-L3564 HydrophobicContact CE2-CD2 3.99Å; F3544-L3564 HydrophobicContact CE2-CG 4.08Å; R3547-L3564 HydrophobicContact CB-CD1 3.96Å; R3547-L3564 HydrophobicContact CB-CD2 3.93Å; R3547-L3564 HydrophobicContact CB-CG 4.46Å; K3548-L3564 HydrophobicContact CB-CD2 4.23Å; M3551-L3564 HydrophobicContact SD-CD2 3.94Å; C3560-L3564 WeakPolarHBondContact O-CB 3.34Å; C3560-L3564 PolarHBondContact O-N 3.17Å; C3560-L3564 VanDerWaalsContact O-N 3.08Å; I3561-L3564 WeakPolarHBondContact O-CB 3.29Å; I3561-L3564 PolarHBondContact O-N 3.39Å; N3562-L3564 VanDerWaalsContact C-N 3.28Å; N3562-L3564 PolarHBondContact O-N 3.11Å; L3564-E3567 WeakPolarHBondContact O-CB 3.38Å; L3564-E3567 PolarHBondContact O-N 3.27Å; L3564-I3568 HydrophobicContact CD1-CD1 3.96Å; L3564-I3568 HydrophobicContact CD1-CG1 4.46Å; L3564-I3568 HydrophobicContact CG-CD1 4.14Å; L3564-I3568 WeakPolarHBondContact O-CG1 3.34Å; L3564-I3568 PolarHBondContact O-N 2.92Å
3565A87.4Confident82.5Confident0 Ų067.3 Ų67.30%037%0.372CS..Hα-helixtrans-63.7-45.4175.600000110.7F3544 I3561 N3562 E3567 I3568 F3569 V3638F3544-A3565 HydrophobicContact CD2-CB 4.3Å; F3544-A3565 HydrophobicContact CE2-CB 3.8Å; F3544-A3565 HydrophobicContact CZ-CB 4.33Å; I3561-A3565 PolarHBondContact O-N 3.07Å; N3562-A3565 WeakPolarHBondContact O-CB 3.47Å; N3562-A3565 PolarHBondContact O-N 2.88Å; N3562-A3565 VanDerWaalsContact O-N 3.08Å; A3565-E3567 VanDerWaalsContact C-N 3.3Å; A3565-E3567 PolarHBondContact O-N 3.32Å; A3565-I3568 PolarHBondContact O-N 3.23Å; A3565-F3569 HydrophobicContact CB-CD2 4.08Å; A3565-F3569 HydrophobicContact CB-CE2 4.31Å; A3565-F3569 WeakPolarHBondContact O-CB 3.32Å; A3565-F3569 WeakPolarHBondContact O-CD2 3.42Å; A3565-F3569 PolarHBondContact O-N 3.06Å; A3565-V3638 HydrophobicContact CB-CG2 4.26Å
3566V89.2Confident84Confident66 Ų6662.6 Ų62.640%0.435%0.346SS..Hα-helixtrans-62.2-36.4175.6176.20000111.7N3562 D3563 I3568 G3570 C3571N3562-V3566 WeakPolarHBondContact O-CG2 3.3Å; N3562-V3566 PolarHBondContact O-N 3.33Å; D3563-V3566 PolarHBondContact O-N 2.92Å; V3566-I3568 PolarHBondContact O-N 3.17Å; V3566-G3570 WeakPolarHBondContact O-CA 3.42Å; V3566-G3570 PolarHBondContact O-N 3.43Å; V3566-C3571 WeakPolarHBondContact CA-O 3.36Å
3567E89.9Confident85.3Confident123.5 Ų123.565.2 Ų65.258%0.57737%0.366SS*.Hα-helixtrans-62-41175.3-166.6-164.8142.100112.6R3547 D3563 L3564 A3565R3547-E3567 IonicContact CZ-OE1 3.44Å; R3547-E3567 IonicContact CZ-OE2 3.8Å; R3547-E3567 IonicContact NH1-OE1 3.23Å; R3547-E3567 PolarHBondContact NH1-OE1 2.84Å; R3547-E3567 IonicContact NH1-OE2 2.97Å; R3547-E3567 IonicContact NH2-OE1 3.56Å; R3547-E3567 PolarHBondContact NH2-OE1 3.06Å; R3547-E3567 IonicContact NH2-OE2 2.85Å; R3547-E3567 PolarHBondContact NH2-OE2 3.21Å; D3563-E3567 PolarHBondContact O-N 3.06Å; D3563-E3567 VanDerWaalsContact O-N 3.1Å; L3564-E3567 WeakPolarHBondContact O-CB 3.38Å; L3564-E3567 PolarHBondContact O-N 3.27Å; A3565-E3567 VanDerWaalsContact C-N 3.3Å; A3565-E3567 PolarHBondContact O-N 3.32Å
3568I86.5Confident86.3Confident23 Ų2361.9 Ų61.912%0.11835%0.348CS..Hα-helixtrans-90.3-39.3-171.9-65.7174.1000112.5Q3540 E3543 F3544 L3564 A3565 V3566Q3540-I3568 HydrophobicContact CB-CG2 4.05Å; Q3540-I3568 PolarHBondContact NE2-O 2.97Å; E3543-I3568 HydrophobicContact CG-CD1 4.39Å; F3544-I3568 HydrophobicContact CB-CD1 3.88Å; F3544-I3568 HydrophobicContact CB-CG2 4.36Å; F3544-I3568 HydrophobicContact CD2-CD1 4.17Å; F3544-I3568 HydrophobicContact CG-CD1 4.42Å; L3564-I3568 HydrophobicContact CD1-CD1 3.96Å; L3564-I3568 HydrophobicContact CD1-CG1 4.46Å; L3564-I3568 HydrophobicContact CG-CD1 4.14Å; L3564-I3568 WeakPolarHBondContact O-CG1 3.34Å; L3564-I3568 PolarHBondContact O-N 2.92Å; A3565-I3568 PolarHBondContact O-N 3.23Å; V3566-I3568 PolarHBondContact O-N 3.17Å
3569F88.6Confident86.9Confident23 Ų2357.4 Ų57.410%0.10133%0.331CS..Hα-helixtrans-95.9-10.4-178.6-55-65.6000113.2F3537 Q3540 I3541 F3544 A3565 C3571 L3573 I3641F3537-F3569 HydrophobicContact CD2-CD1 4.39Å; F3537-F3569 HydrophobicContact CD2-CE1 4.47Å; F3537-F3569 AromaticContact CE2-CD1 3.8Å; F3537-F3569 HydrophobicContact CE2-CD1 3.8Å; F3537-F3569 AromaticContact CE2-CE1 3.87Å; F3537-F3569 HydrophobicContact CE2-CE1 3.87Å; Q3540-F3569 HydrophobicContact CB-CD1 3.97Å; Q3540-F3569 HydrophobicContact CB-CE1 3.67Å; I3541-F3569 HydrophobicContact CG1-CE1 4.15Å; I3541-F3569 HydrophobicContact CG1-CZ 4.29Å; F3544-F3569 HydrophobicContact CB-CE2 4.02Å; F3544-F3569 HydrophobicContact CB-CZ 3.8Å; F3544-F3569 HydrophobicContact CD1-CE2 4.43Å; F3544-F3569 HydrophobicContact CD1-CZ 4.49Å; F3544-F3569 AromaticContact CD2-CE2 3.98Å; F3544-F3569 HydrophobicContact CD2-CE2 4.02Å; F3544-F3569 AromaticContact CG-CE2 3.88Å; F3544-F3569 HydrophobicContact CG-CE2 3.88Å; F3544-F3569 AromaticContact CG-CZ 3.99Å; F3544-F3569 HydrophobicContact CG-CZ 4.07Å; A3565-F3569 HydrophobicContact CB-CD2 4.08Å; A3565-F3569 HydrophobicContact CB-CE2 4.31Å; A3565-F3569 WeakPolarHBondContact O-CB 3.32Å; A3565-F3569 WeakPolarHBondContact O-CD2 3.42Å; A3565-F3569 PolarHBondContact O-N 3.06Å; F3569-C3571 PolarHBondContact O-N 2.97Å; F3569-C3571 PolarHBondContact O-SG 3.14Å; F3569-C3571 VanDerWaalsContact O-SG 3.36Å; F3569-L3573 HydrophobicContact CD2-CD1 3.76Å; F3569-L3573 HydrophobicContact CE2-CD1 3.78Å; F3569-L3573 HydrophobicContact CG-CD1 4.22Å; F3569-L3573 HydrophobicContact CZ-CD1 4.23Å; F3569-I3641 HydrophobicContact CE1-CD1 4.33Å; F3569-I3641 HydrophobicContact CE2-CD1 3.95Å; F3569-I3641 HydrophobicContact CZ-CD1 3.54Å
3570G89.1Confident87.5Confident66 Ų6651.3 Ų51.368%0.6831%0.305SS*.SBendtrans75.1-1.8-179.300000115.3V3566V3566-G3570 WeakPolarHBondContact O-CA 3.42Å; V3566-G3570 PolarHBondContact O-N 3.43Å
3571C88.2Confident87.9Confident36.5 Ų36.551.1 Ų51.125%0.24730%0.299CS..SBendtrans-153170.5-178.755.60000110V3566 F3569 D3575 L3576V3566-C3571 WeakPolarHBondContact CA-O 3.36Å; F3569-C3571 PolarHBondContact O-N 2.97Å; F3569-C3571 PolarHBondContact O-SG 3.14Å; F3569-C3571 VanDerWaalsContact O-SG 3.36Å; C3571-D3575 HydrophobicContact CB-CB 4.4Å; C3571-L3576 VanDerWaalsContact SG-CD2 3.57Å; C3571-L3576 WeakPolarHBondContact SG-CD2 3.45Å
3572D85.4Confident88.3Confident50.5 Ų50.550.4 Ų50.427%0.2730%0.295SS..  trans-70.2144.7169.6-168.516.8000109.6T3574 D3575D3572-T3574 PolarHBondContact O-N 3.42Å; D3572-T3574 VanDerWaalsContact O-N 3.14Å; D3572-T3574 WeakPolarHBondContact OD2-CB 3.48Å; D3572-T3574 WeakPolarHBondContact OD2-CG2 3.5Å; D3572-T3574 PolarHBondContact OD2-N 2.83Å; D3572-T3574 PolarHBondContact OD2-OG1 2.86Å; D3572-D3575 PolarHBondContact N-OD2 3.03Å; D3572-D3575 WeakPolarHBondContact O-CB 3.31Å; D3572-D3575 PolarHBondContact O-N 3.03Å
3573L85.2Confident88.6Confident1 Ų151.8 Ų51.81%0.00530%0.302CS..THydrogen-bonded Turntrans-64.1-26.2-175.4-159.579.6000112.1F3569 D3575 L3576 V3636 V3638 I3641F3569-L3573 HydrophobicContact CD2-CD1 3.76Å; F3569-L3573 HydrophobicContact CE2-CD1 3.78Å; F3569-L3573 HydrophobicContact CG-CD1 4.22Å; F3569-L3573 HydrophobicContact CZ-CD1 4.23Å; L3573-D3575 PolarHBondContact O-N 2.94Å; L3573-L3576 HydrophobicContact CD1-CD1 3.77Å; L3573-L3576 HydrophobicContact CG-CD1 4.47Å; L3573-L3576 WeakPolarHBondContact O-CB 3.47Å; L3573-L3576 PolarHBondContact O-N 3.11Å; L3573-V3636 HydrophobicContact CD2-CG1 4Å; L3573-V3638 HydrophobicContact CB-CG2 4.13Å; L3573-V3638 HydrophobicContact CD2-CG2 4.41Å; L3573-I3641 HydrophobicContact CD1-CD1 3.51Å; L3573-I3641 HydrophobicContact CD1-CG1 4.5Å; L3573-I3641 HydrophobicContact CD2-CB 3.92Å; L3573-I3641 HydrophobicContact CD2-CD1 3.62Å; L3573-I3641 HydrophobicContact CD2-CG1 3.96Å; L3573-I3641 HydrophobicContact CG-CD1 4.23Å
3574T85.1Confident88.7Confident84.5 Ų84.548.6 Ų48.652%0.51829%0.286SS..THydrogen-bonded Turntrans-68.8-28.2175.159.80000112.9D3572 L3576 C3577D3572-T3574 PolarHBondContact O-N 3.42Å; D3572-T3574 VanDerWaalsContact O-N 3.14Å; D3572-T3574 WeakPolarHBondContact OD2-CB 3.48Å; D3572-T3574 WeakPolarHBondContact OD2-CG2 3.5Å; D3572-T3574 PolarHBondContact OD2-N 2.83Å; D3572-T3574 PolarHBondContact OD2-OG1 2.86Å; T3574-L3576 VanDerWaalsContact C-N 3.26Å; T3574-L3576 PolarHBondContact O-N 3.15Å; T3574-C3577 PolarHBondContact O-N 3.12Å; T3574-C3577 VanDerWaalsContact O-N 3.15Å
3575D87.8Confident88.6Confident112.5 Ų112.549.3 Ų49.360%0.60229%0.292SS*.THydrogen-bonded Turntrans-69.7-25.7178.4-64.1-31.5000111.9C3571 D3572 L3573 C3577C3571-D3575 HydrophobicContact CB-CB 4.4Å; D3572-D3575 PolarHBondContact N-OD2 3.03Å; D3572-D3575 WeakPolarHBondContact O-CB 3.31Å; D3572-D3575 PolarHBondContact O-N 3.03Å; L3573-D3575 PolarHBondContact O-N 2.94Å; D3575-C3577 PolarHBondContact O-N 3.3Å; D3575-C3577 VanDerWaalsContact O-N 3.16Å; D3575-C3577 PolarHBondContact O-SG 2.99Å; D3575-C3577 VanDerWaalsContact O-SG 3.4Å
3576L87Confident88.5Confident63.5 Ų63.549.4 Ų49.433%0.33229%0.293SS..THydrogen-bonded Turntrans-66.4-11.2174.9-62.8178.3000113.2F3537 C3571 L3573 T3574 L3578F3537-L3576 HydrophobicContact CE2-CD1 3.78Å; F3537-L3576 HydrophobicContact CZ-CD1 3.95Å; C3571-L3576 VanDerWaalsContact SG-CD2 3.57Å; C3571-L3576 WeakPolarHBondContact SG-CD2 3.45Å; L3573-L3576 HydrophobicContact CD1-CD1 3.77Å; L3573-L3576 HydrophobicContact CG-CD1 4.47Å; L3573-L3576 WeakPolarHBondContact O-CB 3.47Å; L3573-L3576 PolarHBondContact O-N 3.11Å; T3574-L3576 VanDerWaalsContact C-N 3.26Å; T3574-L3576 PolarHBondContact O-N 3.15Å; L3576-L3578 HydrophobicContact CB-CD1 3.99Å; L3576-L3578 HydrophobicContact CB-CG 3.92Å; L3576-L3578 HydrophobicContact CD1-CD1 4.02Å; L3576-L3578 PolarHBondContact O-N 3.19Å; L3576-L3578 VanDerWaalsContact O-N 3.14Å
3577C87.8Confident88.3Confident113 Ų11354.7 Ų54.776%0.76431%0.31SS*.THydrogen-bonded Turntrans53.630.1178.3-61.90000114.2T3574 D3575T3574-C3577 PolarHBondContact O-N 3.12Å; T3574-C3577 VanDerWaalsContact O-N 3.15Å; D3575-C3577 PolarHBondContact O-N 3.3Å; D3575-C3577 VanDerWaalsContact O-N 3.16Å; D3575-C3577 PolarHBondContact O-SG 2.99Å; D3575-C3577 VanDerWaalsContact O-SG 3.4Å
3578L90.2Very high88Confident40 Ų4052.9 Ų52.921%0.20930%0.304CS..  trans-76.1135.1-178.8-68.1170.9000111.2F3537 L3576 V3636F3537-L3578 HydrophobicContact CE1-CD1 3.58Å; F3537-L3578 HydrophobicContact CE2-CD1 4.4Å; F3537-L3578 HydrophobicContact CZ-CD1 3.4Å; F3537-L3578 VanDerWaalsContact CZ-CD1 3.47Å; L3576-L3578 HydrophobicContact CB-CD1 3.99Å; L3576-L3578 HydrophobicContact CB-CG 3.92Å; L3576-L3578 HydrophobicContact CD1-CD1 4.02Å; L3576-L3578 PolarHBondContact O-N 3.19Å; L3576-L3578 VanDerWaalsContact O-N 3.14Å; L3578-V3636 HydrophobicContact CB-CB 3.84Å; L3578-V3636 HydrophobicContact CB-CG2 3.81Å; L3578-V3636 PolarHBondContact O-N 3.3Å
3579S91.2Very high87.9Confident32.5 Ų32.552.3 Ų52.323%0.22730%0.301CS..BIsolated β-bridgetrans-110.9160.9173.258.50000110.5E3581S3579-E3581 WeakPolarHBondContact CB-OE2 3.47Å; S3579-E3581 PolarHBondContact O-N 3.01Å; S3579-E3581 WeakPolarHBondContact OG-CG 3.25Å; S3579-E3581 PolarHBondContact OG-OE2 3.03Å
3580M92.5Very high87.5Confident19 Ų1954.8 Ų54.89%0.09433%0.333CS..SBendtrans-72.856.7171.1-73.5-71.4-177.500111.9L3596 V3633 A3634 V3636 N3640 K3643 Y3644M3580-L3596 PolarHBondContact O-N 2.83Å; M3580-V3633 HydrophobicContact CB-CG1 4.09Å; M3580-A3634 WeakPolarHBondContact CB-O 3.38Å; M3580-A3634 HydrophobicContact CG-CB 4.35Å; M3580-A3634 WeakPolarHBondContact CG-O 3.18Å; M3580-A3634 PolarHBondContact N-O 3.02Å; M3580-V3636 HydrophobicContact CE-CG2 4.36Å; M3580-V3636 HydrophobicContact CG-CG2 4.39Å; M3580-V3636 HydrophobicContact SD-CG2 4.34Å; M3580-N3640 HydrophobicContact CE-CB 3.8Å; M3580-N3640 VanDerWaalsContact CE-CG 3.44Å; M3580-N3640 VanDerWaalsContact CE-O 3.27Å; M3580-N3640 WeakPolarHBondContact CE-O 3.49Å; M3580-K3643 HydrophobicContact CE-CB 4.26Å; M3580-Y3644 HydrophobicContact SD-CD2 3.95Å; M3580-Y3644 HydrophobicContact SD-CG 4.37Å
3581E92.5Very high87.2Confident43 Ų4352.9 Ų52.920%0.20131%0.306CS..EExtended strand (participates in β ladder)trans-133.2146.3-179-68.2169.9165.400110.9S3579 L3583 S3593 Y3594 V3633S3579-E3581 WeakPolarHBondContact CB-OE2 3.47Å; S3579-E3581 PolarHBondContact O-N 3.01Å; S3579-E3581 WeakPolarHBondContact OG-CG 3.25Å; S3579-E3581 PolarHBondContact OG-OE2 3.03Å; E3581-L3583 HydrophobicContact CB-CD1 4.45Å; E3581-S3593 WeakPolarHBondContact OE2-CB 3.29Å; E3581-S3593 PolarHBondContact OE2-OG 2.94Å; E3581-Y3594 CarbonylContact C-O 3.4Å; E3581-Y3594 VanDerWaalsContact CA-O 3.25Å; E3581-Y3594 WeakPolarHBondContact CA-O 3.41Å; E3581-V3633 HydrophobicContact CG-CB 4.38Å; E3581-V3633 HydrophobicContact CG-CG1 3.63Å; E3581-V3633 HydrophobicContact CG-CG2 4.02Å; E3581-V3633 VanDerWaalsContact OE1-CG2 3.26Å; E3581-V3633 WeakPolarHBondContact OE1-CG2 3.29Å
3582F91.6Very high86.9Confident5 Ų555.9 Ų55.92%0.02233%0.328CS..EExtended strand (participates in β ladder)trans-86.4123.4164.7174.6-100.8000109.7P3351 R3534 P3584 F3591 S3593 Y3594 L3596 F3651 C3652P3351-F3582 HydrophobicContact CB-CZ 4.35Å; P3351-F3582 HydrophobicContact CG-CE1 3.93Å; P3351-F3582 HydrophobicContact CG-CE2 4.12Å; P3351-F3582 HydrophobicContact CG-CZ 3.44Å; P3351-F3582 VanDerWaalsContact CG-CZ 3.49Å; R3534-F3582 VanDerWaalsContact NH1-CE2 3.3Å; F3582-P3584 HydrophobicContact CE1-CB 4.09Å; F3582-F3591 HydrophobicContact CD1-CE2 4.25Å; F3582-F3591 HydrophobicContact CE1-CE2 4.42Å; F3582-F3591 HydrophobicContact CE1-CZ 4.44Å; F3582-S3593 CarbonylContact O-C 3.48Å; F3582-S3593 VanDerWaalsContact O-CA 3.31Å; F3582-S3593 WeakPolarHBondContact O-CA 3.35Å; F3582-Y3594 PolarHBondContact N-O 2.94Å; F3582-Y3594 PolarHBondContact O-N 3.22Å; F3582-L3596 HydrophobicContact CB-CD2 3.98Å; F3582-L3596 HydrophobicContact CB-CG 4.36Å; F3582-F3651 HydrophobicContact CB-CD1 3.94Å; F3582-F3651 HydrophobicContact CB-CE1 4.01Å; F3582-F3651 AromaticContact CD1-CD1 3.9Å; F3582-F3651 HydrophobicContact CD1-CD1 3.9Å; F3582-F3651 AromaticContact CD1-CE1 3.36Å; F3582-F3651 HydrophobicContact CD1-CE1 3.36Å; F3582-F3651 HydrophobicContact CD1-CZ 4.3Å; F3582-F3651 AromaticContact CD2-CD1 3.85Å; F3582-F3651 HydrophobicContact CD2-CD1 3.85Å; F3582-F3651 HydrophobicContact CD2-CE1 4.19Å; F3582-F3651 HydrophobicContact CE1-CD1 4.39Å; F3582-F3651 AromaticContact CE1-CE1 3.82Å; F3582-F3651 HydrophobicContact CE1-CE1 3.82Å; F3582-F3651 HydrophobicContact CE2-CD1 4.37Å; F3582-F3651 AromaticContact CG-CD1 3.59Å; F3582-F3651 HydrophobicContact CG-CD1 3.59Å; F3582-F3651 AromaticContact CG-CE1 3.56Å; F3582-F3651 HydrophobicContact CG-CE1 3.56Å; F3582-F3651 HydrophobicContact CZ-CE1 4.42Å; F3582-C3652 WeakPolarHBondContact CE2-SG 3.16Å
3583L91.3Very high87.1Confident88.5 Ų88.555.4 Ų55.446%0.46333%0.328SS..PPolyproline II helixtrans-96.6123.9169.9-67.6113000108.3R3534 E3581 S3592R3534-L3583 VanDerWaalsContact CZ-O 3.25Å; R3534-L3583 PolarHBondContact NH1-O 3.22Å; R3534-L3583 PolarHBondContact NH2-O 3.09Å; E3581-L3583 HydrophobicContact CB-CD1 4.45Å; L3583-S3592 WeakPolarHBondContact CD2-O 3.34Å
3584P89.2Confident87.3Confident20.5 Ų20.556.3 Ų56.313%0.13333%0.332CS..PPolyproline II helixtrans-66.1157.4175.326.8-30.6000111.6R3534 F3582 S3586 F3589 F3591 S3592R3534-P3584 PolarHBondContact NH2-O 3.22Å; F3582-P3584 HydrophobicContact CE1-CB 4.09Å; P3584-S3586 PolarHBondContact O-N 2.92Å; P3584-F3589 HydrophobicContact CB-CB 4.42Å; P3584-F3589 HydrophobicContact CB-CD2 3.91Å; P3584-F3589 HydrophobicContact CB-CG 4.46Å; P3584-F3591 HydrophobicContact CB-CE2 4Å; P3584-F3591 HydrophobicContact CB-CZ 4.03Å; P3584-F3591 HydrophobicContact CG-CD2 3.9Å; P3584-F3591 HydrophobicContact CG-CE2 3.67Å; P3584-F3591 HydrophobicContact CG-CZ 4.12Å; P3584-F3591 VanDerWaalsContact CG-O 3.25Å; P3584-F3591 WeakPolarHBondContact CG-O 3.36Å; P3584-S3592 WeakPolarHBondContact CD-O 3.38Å
3585S85.1Confident87.6Confident23 Ų2353.8 Ų53.816%0.16132%0.317CS..SBendtrans-77.5-13.2-177.9-3.90000114.3T3287 N3288 R3534T3287-S3585 CarbonylContact O-C 3.54Å; T3287-S3585 VanDerWaalsContact O-CB 3.29Å; T3287-S3585 WeakPolarHBondContact O-CB 3.35Å; T3287-S3585 PolarHBondContact O-OG 3.01Å; N3288-S3585 WeakPolarHBondContact CA-O 3.25Å; N3288-S3585 WeakPolarHBondContact OD1-CB 3.4Å; R3534-S3585 PolarHBondContact NH2-OG 3.37Å
3586S85.9Confident87.8Confident3 Ų349.1 Ų49.12%0.02129%0.292CS..  trans-142146.9-179.9171.70000110.9T3287 D3289 P3584 L3588 F3589T3287-S3586 WeakPolarHBondContact O-CB 3.24Å; D3289-S3586 WeakPolarHBondContact OD1-CA 3.42Å; D3289-S3586 VanDerWaalsContact OD1-CB 3.24Å; D3289-S3586 WeakPolarHBondContact OD1-CB 3.17Å; D3289-S3586 PolarHBondContact OD1-OG 3.44Å; P3584-S3586 PolarHBondContact O-N 2.92Å; S3586-L3588 PolarHBondContact O-N 3.22Å; S3586-L3588 WeakPolarHBondContact OG-CB 3.43Å; S3586-L3588 VanDerWaalsContact OG-CG 3.32Å; S3586-L3588 WeakPolarHBondContact OG-CG 3.39Å; S3586-L3588 PolarHBondContact OG-N 2.92Å; S3586-L3588 VanDerWaalsContact OG-N 3.13Å; S3586-F3589 VanDerWaalsContact O-CD2 3.31Å; S3586-F3589 WeakPolarHBondContact O-CD2 3.34Å
3587K84Confident87.9Confident177 Ų17749.3 Ų49.377%0.7729%0.29SS*.G310 helixtrans-69.4-14.6172.9-67.9164.5-170.4163.10113D3289 F3589 G3590D3289-K3587 PolarHBondContact OD1-N 2.96Å; D3289-K3587 WeakPolarHBondContact OD2-CB 3.43Å; D3289-K3587 WeakPolarHBondContact OD2-CD 3.25Å; D3289-K3587 WeakPolarHBondContact OD2-CE 3.19Å; D3289-K3587 VanDerWaalsContact OD2-CG 3.25Å; D3289-K3587 WeakPolarHBondContact OD2-CG 3.42Å; D3289-K3587 PolarHBondContact OD2-N 3.19Å; D3289-K3587 VanDerWaalsContact OD2-N 3.13Å; D3289-K3587 IonicContact OD2-NZ 2.78Å; K3587-F3589 PolarHBondContact O-N 2.71Å; K3587-G3590 PolarHBondContact O-N 3.23Å; K3587-G3590 VanDerWaalsContact O-N 3.13Å
3588L83.4Confident87.6Confident85 Ų8548.3 Ų48.345%0.44528%0.277SS..G310 helixtrans-63.1-23.9-179.3-67174.9000113.5R3280 L3283 S3586 G3590R3280-L3588 HydrophobicContact CB-CD1 4.26Å; R3280-L3588 HydrophobicContact CG-CD1 3.62Å; L3283-L3588 HydrophobicContact CD2-CB 3.76Å; L3283-L3588 WeakPolarHBondContact CD2-O 3.29Å; S3586-L3588 PolarHBondContact O-N 3.22Å; S3586-L3588 WeakPolarHBondContact OG-CB 3.43Å; S3586-L3588 VanDerWaalsContact OG-CG 3.32Å; S3586-L3588 WeakPolarHBondContact OG-CG 3.39Å; S3586-L3588 PolarHBondContact OG-N 2.92Å; S3586-L3588 VanDerWaalsContact OG-N 3.13Å; L3588-G3590 PolarHBondContact O-N 2.99Å
3589F84.1Confident87.3Confident11.5 Ų11.550.4 Ų50.45%0.0529%0.291CS..G310 helixtrans-72.2-6.6178.8-60.9-69.1000113.8L3283 W3285 T3287 A3350 W3352 P3584 S3586 K3587 F3591L3283-F3589 HydrophobicContact CB-CD1 4.36Å; L3283-F3589 HydrophobicContact CB-CE1 4.34Å; L3283-F3589 HydrophobicContact CD2-CD1 4.34Å; W3285-F3589 WeakPolarHBondContact O-CZ 3.22Å; T3287-F3589 HydrophobicContact CG2-CE2 4.18Å; T3287-F3589 HydrophobicContact CG2-CZ 4.06Å; A3350-F3589 HydrophobicContact CB-CD1 4.31Å; A3350-F3589 HydrophobicContact CB-CE1 3.34Å; A3350-F3589 HydrophobicContact CB-CZ 3.5Å; A3350-F3589 VanDerWaalsContact CB-CZ 3.45Å; W3352-F3589 AromaticContact CE2-CD1 3.82Å; W3352-F3589 HydrophobicContact CH2-CB 4.15Å; W3352-F3589 AromaticContact CH2-CD1 3.99Å; W3352-F3589 HydrophobicContact CH2-CD1 4.19Å; W3352-F3589 VanDerWaalsContact CH2-O 3.27Å; W3352-F3589 WeakPolarHBondContact CH2-O 3.46Å; W3352-F3589 HydrophobicContact CZ2-CB 4.35Å; W3352-F3589 AromaticContact CZ2-CD1 3.55Å; W3352-F3589 HydrophobicContact CZ2-CD1 3.55Å; W3352-F3589 VanDerWaalsContact CZ2-CD1 3.44Å; W3352-F3589 HydrophobicContact CZ2-CE1 4.18Å; W3352-F3589 HydrophobicContact CZ2-CG 4.43Å; W3352-F3589 HydrophobicContact CZ3-CB 4.49Å; W3352-F3589 WeakPolarHBondContact CZ3-O 3.37Å; P3584-F3589 HydrophobicContact CB-CB 4.42Å; P3584-F3589 HydrophobicContact CB-CD2 3.91Å; P3584-F3589 HydrophobicContact CB-CG 4.46Å; S3586-F3589 VanDerWaalsContact O-CD2 3.31Å; S3586-F3589 WeakPolarHBondContact O-CD2 3.34Å; K3587-F3589 PolarHBondContact O-N 2.71Å; F3589-F3591 VanDerWaalsContact C-N 3.28Å; F3589-F3591 HydrophobicContact CB-CD1 4.17Å; F3589-F3591 HydrophobicContact CB-CE1 3.83Å; F3589-F3591 WeakPolarHBondContact O-CD1 3.41Å; F3589-F3591 PolarHBondContact O-N 2.94Å; F3589-F3591 VanDerWaalsContact O-N 3.13Å
3590G80Confident87.1Confident76 Ų7649.1 Ų49.178%0.78428%0.281SS*.SBendtrans79.8-7.8170.400000116.1K3587 L3588K3587-G3590 PolarHBondContact O-N 3.23Å; K3587-G3590 VanDerWaalsContact O-N 3.13Å; L3588-G3590 PolarHBondContact O-N 2.99Å
3591F83.2Confident86.6Confident25.5 Ų25.554.5 Ų54.511%0.11231%0.311CS..  trans-117.2150169.165.3-85.3000110.7W3352 P3353 F3582 P3584 F3589W3352-F3591 HydrophobicContact CD2-CE1 4.4Å; W3352-F3591 HydrophobicContact CE3-CD1 4.3Å; W3352-F3591 AromaticContact CE3-CE1 3.71Å; W3352-F3591 HydrophobicContact CE3-CE1 3.71Å; W3352-F3591 AromaticContact CZ3-CD1 4Å; W3352-F3591 HydrophobicContact CZ3-CD1 4.06Å; W3352-F3591 AromaticContact CZ3-CE1 3.84Å; W3352-F3591 HydrophobicContact CZ3-CE1 3.84Å; P3353-F3591 HydrophobicContact CG-CZ 4.45Å; F3582-F3591 HydrophobicContact CD1-CE2 4.25Å; F3582-F3591 HydrophobicContact CE1-CE2 4.42Å; F3582-F3591 HydrophobicContact CE1-CZ 4.44Å; P3584-F3591 HydrophobicContact CB-CE2 4Å; P3584-F3591 HydrophobicContact CB-CZ 4.03Å; P3584-F3591 HydrophobicContact CG-CD2 3.9Å; P3584-F3591 HydrophobicContact CG-CE2 3.67Å; P3584-F3591 HydrophobicContact CG-CZ 4.12Å; P3584-F3591 VanDerWaalsContact CG-O 3.25Å; P3584-F3591 WeakPolarHBondContact CG-O 3.36Å; F3589-F3591 VanDerWaalsContact C-N 3.28Å; F3589-F3591 HydrophobicContact CB-CD1 4.17Å; F3589-F3591 HydrophobicContact CB-CE1 3.83Å; F3589-F3591 WeakPolarHBondContact O-CD1 3.41Å; F3589-F3591 PolarHBondContact O-N 2.94Å; F3589-F3591 VanDerWaalsContact O-N 3.13Å
3592S83Confident86.1Confident99.5 Ų99.554.5 Ų54.570%0.69631%0.309SS*.SBendtrans-95-32.1-178.754.60000113.4L3583 P3584L3583-S3592 WeakPolarHBondContact CD2-O 3.34Å; P3584-S3592 WeakPolarHBondContact CD-O 3.38Å
3593S88.2Confident85.2Confident40 Ų4055.6 Ų55.628%0.2831%0.314SS..  trans-158.1160.1177.360.60000109.8E3581 F3582E3581-S3593 WeakPolarHBondContact OE2-CB 3.29Å; E3581-S3593 PolarHBondContact OE2-OG 2.94Å; F3582-S3593 CarbonylContact O-C 3.48Å; F3582-S3593 VanDerWaalsContact O-CA 3.31Å; F3582-S3593 WeakPolarHBondContact O-CA 3.35Å
3594Y90.2Very high83.8Confident20.5 Ų20.553.6 Ų53.68%0.0831%0.31CS..EExtended strand (participates in β ladder)trans-145130.5177.3-171.2-95.4000111.4P3353 E3581 F3582 L3596 Y3600 W3602 F3651P3353-Y3594 HydrophobicContact CB-CD1 4.29Å; P3353-Y3594 HydrophobicContact CB-CD2 3.87Å; P3353-Y3594 HydrophobicContact CB-CE1 4.02Å; P3353-Y3594 HydrophobicContact CB-CE2 3.58Å; P3353-Y3594 HydrophobicContact CB-CG 4.23Å; P3353-Y3594 HydrophobicContact CG-CD1 3.95Å; P3353-Y3594 HydrophobicContact CG-CD2 3.37Å; P3353-Y3594 VanDerWaalsContact CG-CD2 3.41Å; P3353-Y3594 HydrophobicContact CG-CE1 4.19Å; P3353-Y3594 HydrophobicContact CG-CE2 3.67Å; P3353-Y3594 HydrophobicContact CG-CG 3.55Å; E3581-Y3594 CarbonylContact C-O 3.4Å; E3581-Y3594 VanDerWaalsContact CA-O 3.25Å; E3581-Y3594 WeakPolarHBondContact CA-O 3.41Å; F3582-Y3594 PolarHBondContact N-O 2.94Å; F3582-Y3594 PolarHBondContact O-N 3.22Å; Y3594-L3596 PolarHBondContact O-N 3.34Å; Y3594-Y3600 HydrophobicContact CD1-CE1 4.39Å; Y3594-Y3600 HydrophobicContact CE1-CD1 4.15Å; Y3594-Y3600 AromaticContact CE1-CE1 3.57Å; Y3594-Y3600 HydrophobicContact CE1-CE1 3.57Å; Y3594-W3602 AromaticContact CE1-CH2 3.75Å; Y3594-W3602 HydrophobicContact CE1-CH2 3.75Å; Y3594-W3602 AromaticContact CZ-CH2 3.68Å; Y3594-W3602 WeakPolarHBondContact OH-CH2 3.09Å; Y3594-W3602 WeakPolarHBondContact OH-CZ3 3.38Å; Y3594-F3651 HydrophobicContact CD1-CE2 4.17Å; Y3594-F3651 HydrophobicContact CD1-CZ 4.27Å; Y3594-F3651 HydrophobicContact CE1-CE2 4.45Å
3595P91.9Very high82Confident32 Ų3257.4 Ų57.421%0.20833%0.333CS..EExtended strand (participates in β ladder)trans-66.6131.3-174.126.5-35.1000112.7Y3600 V3633P3595-Y3600 WeakPolarHBondContact O-CE1 3.47Å; P3595-Y3600 PolarHBondContact O-OH 3.42Å; P3595-Y3600 VanDerWaalsContact O-OH 3.11Å; P3595-V3633 HydrophobicContact CB-CG2 4.12Å
3596L91.2Very high80.3Confident14 Ų1462.2 Ų62.27%0.07336%0.356CS..  trans-79.4126.8178.2-73.4173.4000111M3580 F3582 Y3594 Y3600 Y3644 L3647 T3648 F3651M3580-L3596 PolarHBondContact O-N 2.83Å; F3582-L3596 HydrophobicContact CB-CD2 3.98Å; F3582-L3596 HydrophobicContact CB-CG 4.36Å; Y3594-L3596 PolarHBondContact O-N 3.34Å; L3596-Y3600 WeakPolarHBondContact CA-OH 3.35Å; L3596-Y3644 HydrophobicContact CD1-CD2 4.23Å; L3596-Y3644 HydrophobicContact CD1-CE2 4.17Å; L3596-L3647 HydrophobicContact CB-CB 3.98Å; L3596-L3647 HydrophobicContact CB-CD1 4.08Å; L3596-L3647 HydrophobicContact CD1-CB 4.23Å; L3596-L3647 HydrophobicContact CD2-CB 4.47Å; L3596-L3647 HydrophobicContact CG-CB 4.46Å; L3596-T3648 WeakPolarHBondContact CD1-OG1 3.36Å; L3596-F3651 HydrophobicContact CD2-CB 3.63Å; L3596-F3651 HydrophobicContact CD2-CD1 4.45Å; L3596-F3651 HydrophobicContact CD2-CD2 4.41Å; L3596-F3651 HydrophobicContact CD2-CG 3.92Å
3597K88.7Confident78.2Confident66.5 Ų66.566.2 Ų66.229%0.28938%0.38SS..  trans-132.2148.1-179-56.5-177.6-172.7175.60113.3V3599 Y3600 K3655K3597-V3599 VanDerWaalsContact C-N 3.32Å; K3597-V3599 WeakPolarHBondContact CB-O 3.23Å; K3597-V3599 PolarHBondContact O-N 3.09Å; K3597-Y3600 HydrophobicContact CB-CD1 3.91Å; K3597-Y3600 HydrophobicContact CB-CE1 3.58Å; K3597-Y3600 HydrophobicContact CB-CG 4.49Å; K3597-Y3600 HydrophobicContact CD-CD1 3.93Å; K3597-Y3600 HydrophobicContact CD-CE1 4.06Å; K3597-Y3600 HydrophobicContact CG-CD1 4.13Å; K3597-Y3600 HydrophobicContact CG-CE1 3.77Å; K3597-Y3600 PolarHBondContact N-OH 3.08Å; K3597-Y3600 VanDerWaalsContact N-OH 3.12Å; K3597-K3655 PolarHBondContact O-NZ 3.41Å
3598D83.2Confident75.9Confident93 Ų9363.1 Ų63.150%0.49738%0.376SS..SBendtrans-64.7-31.8174.2-86.5-43.1000114K3643 L3647 K3655D3598-K3643 WeakPolarHBondContact OD1-CE 3.15Å; D3598-K3643 IonicContact OD1-NZ 3.11Å; D3598-K3643 PolarHBondContact OD1-NZ 3.01Å; D3598-K3643 WeakPolarHBondContact OD2-CE 3.47Å; D3598-K3643 IonicContact OD2-NZ 3.86Å; D3598-L3647 WeakPolarHBondContact OD1-CD2 3.43Å; D3598-K3655 PolarHBondContact O-NZ 3.19Å
3599V83.7Confident73.6Confident84 Ų8465.4 Ų65.451%0.50939%0.394SS..SBendtrans-142.9131.2172.1-176.70000107.3K3597 E3603K3597-V3599 VanDerWaalsContact C-N 3.32Å; K3597-V3599 WeakPolarHBondContact CB-O 3.23Å; K3597-V3599 PolarHBondContact O-N 3.09Å; V3599-E3603 HydrophobicContact CG1-CB 4.33Å
3600Y86Confident71.1Confident4 Ų470.6 Ų70.62%0.01643%0.429CS..  trans-97.2154.7170.6-61.8-75.2000111.2Y3594 P3595 L3596 K3597 W3602 E3603 F3651 K3655Y3594-Y3600 HydrophobicContact CD1-CE1 4.39Å; Y3594-Y3600 HydrophobicContact CE1-CD1 4.15Å; Y3594-Y3600 AromaticContact CE1-CE1 3.57Å; Y3594-Y3600 HydrophobicContact CE1-CE1 3.57Å; P3595-Y3600 WeakPolarHBondContact O-CE1 3.47Å; P3595-Y3600 PolarHBondContact O-OH 3.42Å; P3595-Y3600 VanDerWaalsContact O-OH 3.11Å; L3596-Y3600 WeakPolarHBondContact CA-OH 3.35Å; K3597-Y3600 HydrophobicContact CB-CD1 3.91Å; K3597-Y3600 HydrophobicContact CB-CE1 3.58Å; K3597-Y3600 HydrophobicContact CB-CG 4.49Å; K3597-Y3600 HydrophobicContact CD-CD1 3.93Å; K3597-Y3600 HydrophobicContact CD-CE1 4.06Å; K3597-Y3600 HydrophobicContact CG-CD1 4.13Å; K3597-Y3600 HydrophobicContact CG-CE1 3.77Å; K3597-Y3600 PolarHBondContact N-OH 3.08Å; K3597-Y3600 VanDerWaalsContact N-OH 3.12Å; Y3600-W3602 VanDerWaalsContact CB-CZ2 3.44Å; Y3600-W3602 AromaticContact CD1-CH2 3.45Å; Y3600-W3602 HydrophobicContact CD1-CH2 3.45Å; Y3600-W3602 VanDerWaalsContact CD1-CH2 3.45Å; Y3600-W3602 AromaticContact CD1-CZ2 3.57Å; Y3600-W3602 HydrophobicContact CD1-CZ2 3.57Å; Y3600-W3602 HydrophobicContact CD1-CZ3 4.09Å; Y3600-W3602 AromaticContact CD2-CE2 3.93Å; Y3600-W3602 HydrophobicContact CD2-CH2 4.26Å; Y3600-W3602 AromaticContact CD2-CZ2 3.5Å; Y3600-W3602 HydrophobicContact CD2-CZ2 3.5Å; Y3600-W3602 VanDerWaalsContact CD2-CZ2 3.5Å; Y3600-W3602 HydrophobicContact CE1-CH2 4.01Å; Y3600-W3602 HydrophobicContact CE1-CZ2 4.18Å; Y3600-W3602 HydrophobicContact CE2-CZ2 4.1Å; Y3600-W3602 HydrophobicContact CG-CD2 4.32Å; Y3600-W3602 AromaticContact CG-CE2 3.58Å; Y3600-W3602 AromaticContact CG-CH2 3.61Å; Y3600-W3602 HydrophobicContact CG-CH2 3.61Å; Y3600-W3602 AromaticContact CG-CZ2 3.2Å; Y3600-W3602 HydrophobicContact CG-CZ2 3.2Å; Y3600-W3602 HydrophobicContact CG-CZ3 4.28Å; Y3600-W3602 PolarHBondContact O-N 3.14Å; Y3600-E3603 VanDerWaalsContact CD2-OE1 3.3Å; Y3600-E3603 WeakPolarHBondContact CD2-OE1 3.33Å; Y3600-E3603 PolarHBondContact N-OE1 2.77Å; Y3600-E3603 WeakPolarHBondContact O-CB 3.4Å; Y3600-E3603 PolarHBondContact O-N 3.48Å; Y3600-F3651 AromaticContact CE2-CD2 3.93Å; Y3600-F3651 HydrophobicContact CE2-CD2 3.93Å; Y3600-F3651 HydrophobicContact CE2-CE2 4.35Å; Y3600-F3651 AromaticContact CZ-CD2 3.93Å; Y3600-F3651 WeakPolarHBondContact OH-CD2 3.41Å; Y3600-K3655 HydrophobicContact CD2-CD 3.94Å; Y3600-K3655 HydrophobicContact CE2-CD 3.77Å
3601D82.2Confident69Low134 Ų13477.9 Ų77.972%0.71743%0.433SS*.G310 helixtrans-58.9-32.9-177.6-59.2-40.1000112.5E3603 A3604 T3605D3601-E3603 PolarHBondContact O-N 2.71Å; D3601-A3604 PolarHBondContact O-N 3.36Å; D3601-T3605 PolarHBondContact O-OG1 2.79Å
3602W82.3Confident66.7Low42 Ų4282.9 Ų82.916%0.15947%0.465CS..G310 helixtrans-71.3-13.7176.260.971.8000114.4P3353 D3355 Y3594 Y3600P3353-W3602 HydrophobicContact CB-CH2 3.8Å; P3353-W3602 HydrophobicContact CB-CZ3 4.23Å; D3355-W3602 HydrophobicContact CB-CE3 3.85Å; D3355-W3602 HydrophobicContact CB-CZ3 4.06Å; D3355-W3602 WeakPolarHBondContact OD1-CZ3 3.5Å; Y3594-W3602 AromaticContact CE1-CH2 3.75Å; Y3594-W3602 HydrophobicContact CE1-CH2 3.75Å; Y3594-W3602 AromaticContact CZ-CH2 3.68Å; Y3594-W3602 WeakPolarHBondContact OH-CH2 3.09Å; Y3594-W3602 WeakPolarHBondContact OH-CZ3 3.38Å; Y3600-W3602 VanDerWaalsContact CB-CZ2 3.44Å; Y3600-W3602 AromaticContact CD1-CH2 3.45Å; Y3600-W3602 HydrophobicContact CD1-CH2 3.45Å; Y3600-W3602 VanDerWaalsContact CD1-CH2 3.45Å; Y3600-W3602 AromaticContact CD1-CZ2 3.57Å; Y3600-W3602 HydrophobicContact CD1-CZ2 3.57Å; Y3600-W3602 HydrophobicContact CD1-CZ3 4.09Å; Y3600-W3602 AromaticContact CD2-CE2 3.93Å; Y3600-W3602 HydrophobicContact CD2-CH2 4.26Å; Y3600-W3602 AromaticContact CD2-CZ2 3.5Å; Y3600-W3602 HydrophobicContact CD2-CZ2 3.5Å; Y3600-W3602 VanDerWaalsContact CD2-CZ2 3.5Å; Y3600-W3602 HydrophobicContact CE1-CH2 4.01Å; Y3600-W3602 HydrophobicContact CE1-CZ2 4.18Å; Y3600-W3602 HydrophobicContact CE2-CZ2 4.1Å; Y3600-W3602 HydrophobicContact CG-CD2 4.32Å; Y3600-W3602 AromaticContact CG-CE2 3.58Å; Y3600-W3602 AromaticContact CG-CH2 3.61Å; Y3600-W3602 HydrophobicContact CG-CH2 3.61Å; Y3600-W3602 AromaticContact CG-CZ2 3.2Å; Y3600-W3602 HydrophobicContact CG-CZ2 3.2Å; Y3600-W3602 HydrophobicContact CG-CZ3 4.28Å; Y3600-W3602 PolarHBondContact O-N 3.14Å
3603E73.5Confident64.6Low28 Ų2883.9 Ų83.913%0.13147%0.468CS..G310 helixtrans-79.7-24.3174.4-59.8-175.4-11300111.4V3599 Y3600 D3601 K3655 R3658V3599-E3603 HydrophobicContact CG1-CB 4.33Å; Y3600-E3603 VanDerWaalsContact CD2-OE1 3.3Å; Y3600-E3603 WeakPolarHBondContact CD2-OE1 3.33Å; Y3600-E3603 PolarHBondContact N-OE1 2.77Å; Y3600-E3603 WeakPolarHBondContact O-CB 3.4Å; Y3600-E3603 PolarHBondContact O-N 3.48Å; D3601-E3603 PolarHBondContact O-N 2.71Å; E3603-K3655 WeakPolarHBondContact OE1-CE 3.38Å; E3603-K3655 IonicContact OE1-NZ 3.14Å; E3603-K3655 PolarHBondContact OE1-NZ 3.3Å; E3603-K3655 IonicContact OE2-NZ 3.7Å; E3603-R3658 IonicContact OE2-CZ 2.64Å; E3603-R3658 IonicContact OE2-NH1 2.99Å; E3603-R3658 PolarHBondContact OE2-NH1 2.92Å; E3603-R3658 IonicContact OE2-NH2 2.76Å
3604A61.8Low62Low47 Ų4789.3 Ų89.339%0.38849%0.493SS..G310 helixtrans-81.7-14.9-175.600000114.1D3601 I3606D3601-A3604 PolarHBondContact O-N 3.36Å; A3604-I3606 PolarHBondContact O-N 3.06Å
3605T49.8Very low59.8Low99 Ų9995.7 Ų95.761%0.60753%0.529SS*.G310 helixtrans-82.8-11.8-167.4-34.20000114.4D3601 T3607D3601-T3605 PolarHBondContact O-OG1 2.79Å; T3605-T3607 VanDerWaalsContact C-N 3.27Å; T3605-T3607 PolarHBondContact O-N 2.96Å
3606I51Low57.2Low124 Ų12499 Ų9964%0.63655%0.553SS**G310 helixtrans-74-13.7-169.3-61.6174.8000113.1A3604A3604-I3606 PolarHBondContact O-N 3.06Å
3607T40.2Very low54.5Low88 Ų88104.3 Ų104.354%0.5459%0.586SS.*G310 helixtrans-100.95.7-168.3370000117.9T3605T3605-T3607 VanDerWaalsContact C-N 3.27Å; T3605-T3607 PolarHBondContact O-N 2.96Å
3608T35.4Very low52Low111 Ų111110.3 Ų110.368%0.68162%0.615SS**  trans-137.895.3179.355.40000113.6
3609T35Very low49.6Very low133 Ų133115.3 Ų115.382%0.81664%0.635SS**  trans-57.6124.5153.145.90000108.6R3611T3609-R3611 PolarHBondContact O-N 3.33Å; T3609-R3611 VanDerWaalsContact O-N 3.07Å
3610P32.5Very low47.2Very low121 Ų121116 Ų11679%0.78664%0.644SS**  trans-72.3107.9-178.627.5-30.1000109.2T3612P3610-T3612 PolarHBondContact O-N 3.37Å; P3610-T3612 VanDerWaalsContact O-N 3.09Å
3611R36.2Very low44.6Very low230 Ų230123.3 Ų123.387%0.86868%0.682SS**  trans-66.7107.4165.2-94.1-179.2171.9168.1-2.7107.9T3609 T3613T3609-R3611 PolarHBondContact O-N 3.33Å; T3609-R3611 VanDerWaalsContact O-N 3.07Å; R3611-T3613 PolarHBondContact O-N 3.22Å
3612T34.2Very low42.3Very low130 Ų130126.1 Ų126.180%0.79869%0.691SS**  trans-61.898163.848.10000109.2P3610P3610-T3612 PolarHBondContact O-N 3.37Å; P3610-T3612 VanDerWaalsContact O-N 3.09Å
3613T39.9Very low40Very low121 Ų121133.5 Ų133.574%0.74272%0.724SS**  trans-118.899.715451.10000107.3R3611 N3615R3611-T3613 PolarHBondContact O-N 3.22Å; T3613-N3615 PolarHBondContact O-N 3.23Å; T3613-N3615 VanDerWaalsContact O-N 3.07Å
3614N33.8Very low37.9Very low153 Ų153139.6 Ų139.682%0.81876%0.758SS**  trans-50.8110.8161.5-66.2-27000107.8
3615N43.8Very low36.6Very low156 Ų156143.9 Ų143.983%0.83478%0.779SS**  trans-150.6127.7146.5-88.1-30.2000108.5T3613T3613-N3615 PolarHBondContact O-N 3.23Å; T3613-N3615 VanDerWaalsContact O-N 3.07Å
3616S36.6Very low35.6Very low101 Ų101145.1 Ų145.171%0.70679%0.787SS**  trans-55.4164.2-174.847.60000115
3617T33.7Very low34.6Very low124 Ų124147.3 Ų147.376%0.76179%0.794SS**  trans76.989.9164.168.20000116
3618E37.3Very low34.1Very low193 Ų193150.5 Ų150.590%0.90281%0.808SS**  -168.985121.9-99.4169.5-158.100109.2S3620E3618-S3620 PolarHBondContact O-N 3.5Å
3619E32.5Very low34Very low198 Ų198150.9 Ų150.993%0.92582%0.815SS**  trans-71.8100.9159.7-76.1176.7134.700108.3
3620S33.3Very low34.4Very low100 Ų100153.3 Ų153.370%0.69982%0.817SS**  trans165.2144.9146.8450000110.5E3618E3618-S3620 PolarHBondContact O-N 3.5Å
3621L31.7Very low35.6Very low156 Ų156150.2 Ų150.282%0.81780%0.798SS**SBendtrans75.579.3-175-65.791.6000115.6
3622H34.6Very low36.9Very low194 Ų194147.3 Ų147.390%0.89880%0.798SS**  trans-174.455.9138.5-91.1-67.3000108.5
3623K32.6Very low39.1Very low196 Ų196143.2 Ų143.285%0.85277%0.773SS**  trans-12892161.6-90.9-178.8175.3174.50104.3
3624N30.4Very low41.4Very low156 Ų156139.6 Ų139.683%0.83476%0.755SS**  trans163.860.1164.1-78.5-14.4000110
3625V34.9Very low44.1Very low138 Ų138136.4 Ų136.484%0.83674%0.743SS**  trans-142.264.1154.5-1710000106.9
3626T28.7Very low46.2Very low125 Ų125129.1 Ų129.177%0.76770%0.704SS**  trans-109.2135.6160-25.50000103.8
3627E29.3Very low48.7Very low170 Ų170126.3 Ų126.379%0.79468%0.683SS**SBendtrans96.6106.7173.2-52.6174.2-177.200117.4
3628N30.9Very low51.2Low154 Ų154120.8 Ų120.882%0.82465%0.648SS**  trans67.869.5140.4-59.9-17.2000120.8
3629S32.5Very low53.5Low119 Ų119117.4 Ų117.483%0.83263%0.632SS**  trans-109.278.4151.4-45.70000109.9S3631S3629-S3631 PolarHBondContact O-N 3.22Å
3630Q43.8Very low56.2Low185 Ų185109.7 Ų109.786%0.86460%0.598SS**  trans-58.2106.7160.3-81.7168.7-28.900106.3I3632Q3630-I3632 PolarHBondContact O-N 3.49Å
3631S56.7Low58.7Low55 Ų55105 Ų10539%0.38556%0.564SS.*  trans-57.5116.6172.964.80000106.7S3629 V3633S3629-S3631 PolarHBondContact O-N 3.22Å; S3631-V3633 WeakPolarHBondContact O-CG2 3.21Å; S3631-V3633 PolarHBondContact O-N 3.16Å
3632I64.5Low61.1Low170 Ų17099.8 Ų99.887%0.87254%0.536SS*.  trans-53.7112-179-62.3168.6000107.3Q3630 A3634Q3630-I3632 PolarHBondContact O-N 3.49Å; I3632-A3634 PolarHBondContact O-N 2.98Å
3633V80.3Confident63.5Low44 Ų4493.4 Ų93.427%0.26751%0.506SS..PPolyproline II helixtrans-75.8120.1-178.7177.70000108.1M3580 E3581 P3595 S3631M3580-V3633 HydrophobicContact CB-CG1 4.09Å; E3581-V3633 HydrophobicContact CG-CB 4.38Å; E3581-V3633 HydrophobicContact CG-CG1 3.63Å; E3581-V3633 HydrophobicContact CG-CG2 4.02Å; E3581-V3633 VanDerWaalsContact OE1-CG2 3.26Å; E3581-V3633 WeakPolarHBondContact OE1-CG2 3.29Å; P3595-V3633 HydrophobicContact CB-CG2 4.12Å; S3631-V3633 WeakPolarHBondContact O-CG2 3.21Å; S3631-V3633 PolarHBondContact O-N 3.16Å
3634A86.7Confident66Low45 Ų4585.3 Ų85.337%0.37247%0.47SS..PPolyproline II helixtrans-73.6140179.400000110.6M3580 I3632M3580-A3634 WeakPolarHBondContact CB-O 3.38Å; M3580-A3634 HydrophobicContact CG-CB 4.35Å; M3580-A3634 WeakPolarHBondContact CG-O 3.18Å; M3580-A3634 PolarHBondContact N-O 3.02Å; I3632-A3634 PolarHBondContact O-N 2.98Å
3635P90.7Very high68.6Low86 Ų8679.2 Ų79.256%0.55844%0.437SS*.BIsolated β-bridgetrans-68.1150.1169.429.7-34.1000110.7N3640P3635-N3640 PolarHBondContact O-ND2 2.98Å
3636V89.7Confident70.8Confident2 Ų275.3 Ų75.31%0.01241%0.41CS..PPolyproline II helixtrans-79.7127.8174.9-175.20000109.2L3573 L3578 M3580 N3640 I3641 Y3644L3573-V3636 HydrophobicContact CD2-CG1 4Å; L3578-V3636 HydrophobicContact CB-CB 3.84Å; L3578-V3636 HydrophobicContact CB-CG2 3.81Å; L3578-V3636 PolarHBondContact O-N 3.3Å; M3580-V3636 HydrophobicContact CE-CG2 4.36Å; M3580-V3636 HydrophobicContact CG-CG2 4.39Å; M3580-V3636 HydrophobicContact SD-CG2 4.34Å; V3636-N3640 VanDerWaalsContact CA-OD1 3.27Å; V3636-N3640 WeakPolarHBondContact CA-OD1 3.48Å; V3636-I3641 HydrophobicContact CG1-CB 4.12Å; V3636-I3641 HydrophobicContact CG1-CG1 4.05Å; V3636-Y3644 HydrophobicContact CG1-CG 4.33Å; V3636-Y3644 HydrophobicContact CG2-CD2 3.66Å; V3636-Y3644 HydrophobicContact CG2-CE2 4.27Å; V3636-Y3644 HydrophobicContact CG2-CG 3.89Å
3637T88.8Confident73.6Confident43 Ų4370 Ų7026%0.26438%0.377SS..  trans-131.4167.2-177.565.10000109.3H3639 N3640 I3641T3637-H3639 PolarHBondContact O-N 2.99Å; T3637-N3640 PolarHBondContact N-OD1 3.12Å; T3637-N3640 PolarHBondContact O-N 2.86Å; T3637-N3640 PolarHBondContact O-OD1 2.8Å; T3637-N3640 VanDerWaalsContact O-OD1 3.07Å; T3637-I3641 PolarHBondContact O-N 3.44Å
3638V85.9Confident76.4Confident7 Ų762.2 Ų62.24%0.04234%0.341CS..THydrogen-bonded Turntrans-59-17.2-179.3-173.30000113.5F3544 K3548 I3561 A3565 L3573F3544-V3638 HydrophobicContact CE1-CG1 4.1Å; F3544-V3638 HydrophobicContact CE2-CG1 4.43Å; F3544-V3638 HydrophobicContact CZ-CG1 3.51Å; K3548-V3638 PolarHBondContact NZ-O 3.3Å; I3561-V3638 HydrophobicContact CB-CG1 4.45Å; I3561-V3638 HydrophobicContact CG2-CG1 3.38Å; A3565-V3638 HydrophobicContact CB-CG2 4.26Å; L3573-V3638 HydrophobicContact CB-CG2 4.13Å; L3573-V3638 HydrophobicContact CD2-CG2 4.41Å
3639H85.3Confident79Confident122 Ų12256.4 Ų56.457%0.56531%0.31SS*.THydrogen-bonded Turntrans-93.1-20.3178.7-56.8-71.1000114.5T3637T3637-H3639 PolarHBondContact O-N 2.99Å
3640N89.2Confident81.5Confident36 Ų3652.2 Ų52.219%0.19328%0.282CS..THydrogen-bonded Turntrans-121.30.9-176.573.211.8000113.5M3580 P3635 V3636 T3637 E3642 K3643 Y3644M3580-N3640 HydrophobicContact CE-CB 3.8Å; M3580-N3640 VanDerWaalsContact CE-CG 3.44Å; M3580-N3640 VanDerWaalsContact CE-O 3.27Å; M3580-N3640 WeakPolarHBondContact CE-O 3.49Å; P3635-N3640 PolarHBondContact O-ND2 2.98Å; V3636-N3640 VanDerWaalsContact CA-OD1 3.27Å; V3636-N3640 WeakPolarHBondContact CA-OD1 3.48Å; T3637-N3640 PolarHBondContact N-OD1 3.12Å; T3637-N3640 PolarHBondContact O-N 2.86Å; T3637-N3640 PolarHBondContact O-OD1 2.8Å; T3637-N3640 VanDerWaalsContact O-OD1 3.07Å; N3640-E3642 PolarHBondContact O-N 3.29Å; N3640-K3643 WeakPolarHBondContact O-CA 3.33Å; N3640-K3643 VanDerWaalsContact O-CB 3.31Å; N3640-K3643 WeakPolarHBondContact O-CB 3.39Å; N3640-K3643 PolarHBondContact O-N 3.01Å; N3640-Y3644 PolarHBondContact O-N 3.47Å
3641I85.7Confident83.7Confident1 Ų143.4 Ų43.41%0.00524%0.241CC..Hα-helixtrans-58.4-33179.9-162.4-178.8000112.5I3541 F3544 F3569 L3573 V3636 T3637 K3643 Y3644 L3645I3541-I3641 HydrophobicContact CB-CD1 4.36Å; I3541-I3641 HydrophobicContact CD1-CD1 4.14Å; I3541-I3641 HydrophobicContact CD1-CG1 3.99Å; I3541-I3641 HydrophobicContact CG1-CD1 3.72Å; I3541-I3641 HydrophobicContact CG1-CG1 4.07Å; I3541-I3641 HydrophobicContact CG2-CD1 4Å; I3541-I3641 HydrophobicContact CG2-CG1 3.89Å; I3541-I3641 HydrophobicContact CG2-CG2 4.47Å; F3544-I3641 HydrophobicContact CD1-CG2 4.19Å; F3544-I3641 HydrophobicContact CE1-CG2 4.1Å; F3569-I3641 HydrophobicContact CE1-CD1 4.33Å; F3569-I3641 HydrophobicContact CE2-CD1 3.95Å; F3569-I3641 HydrophobicContact CZ-CD1 3.54Å; L3573-I3641 HydrophobicContact CD1-CD1 3.51Å; L3573-I3641 HydrophobicContact CD1-CG1 4.5Å; L3573-I3641 HydrophobicContact CD2-CB 3.92Å; L3573-I3641 HydrophobicContact CD2-CD1 3.62Å; L3573-I3641 HydrophobicContact CD2-CG1 3.96Å; L3573-I3641 HydrophobicContact CG-CD1 4.23Å; V3636-I3641 HydrophobicContact CG1-CB 4.12Å; V3636-I3641 HydrophobicContact CG1-CG1 4.05Å; T3637-I3641 PolarHBondContact O-N 3.44Å; I3641-K3643 VanDerWaalsContact C-N 3.28Å; I3641-K3643 PolarHBondContact O-N 3.35Å; I3641-Y3644 WeakPolarHBondContact O-CB 3.12Å; I3641-Y3644 PolarHBondContact O-N 2.97Å; I3641-L3645 PolarHBondContact O-N 2.89Å
3642E81.9Confident85.3Confident47 Ų4740.8 Ų40.822%0.2222%0.223CC..Hα-helixtrans-62.8-38.9173.6-60.888.1168.300111.1H3545 K3548 N3640 L3645 E3646H3545-E3642 IonicContact CD2-OE1 3.86Å; K3548-E3642 IonicContact NZ-OE1 2.71Å; K3548-E3642 PolarHBondContact NZ-OE1 3.29Å; K3548-E3642 IonicContact NZ-OE2 3.89Å; N3640-E3642 PolarHBondContact O-N 3.29Å; E3642-L3645 WeakPolarHBondContact O-CB 3.32Å; E3642-L3645 PolarHBondContact O-N 3.03Å; E3642-E3646 PolarHBondContact O-N 2.96Å
3643K84.4Confident86.4Confident61 Ų6133.2 Ų33.227%0.26518%0.184SC..Hα-helixtrans-70.1-37.2177.6-168.259.7179.4173.70111.9M3580 D3598 N3640 I3641 L3645 E3646 L3647M3580-K3643 HydrophobicContact CE-CB 4.26Å; D3598-K3643 WeakPolarHBondContact OD1-CE 3.15Å; D3598-K3643 IonicContact OD1-NZ 3.11Å; D3598-K3643 PolarHBondContact OD1-NZ 3.01Å; D3598-K3643 WeakPolarHBondContact OD2-CE 3.47Å; D3598-K3643 IonicContact OD2-NZ 3.86Å; N3640-K3643 WeakPolarHBondContact O-CA 3.33Å; N3640-K3643 VanDerWaalsContact O-CB 3.31Å; N3640-K3643 WeakPolarHBondContact O-CB 3.39Å; N3640-K3643 PolarHBondContact O-N 3.01Å; I3641-K3643 VanDerWaalsContact C-N 3.28Å; I3641-K3643 PolarHBondContact O-N 3.35Å; K3643-L3645 VanDerWaalsContact C-N 3.34Å; K3643-E3646 VanDerWaalsContact CD-OE2 3.29Å; K3643-E3646 WeakPolarHBondContact CD-OE2 3.16Å; K3643-E3646 VanDerWaalsContact NZ-CD 3.28Å; K3643-E3646 IonicContact NZ-OE1 2.71Å; K3643-E3646 PolarHBondContact NZ-OE1 2.87Å; K3643-E3646 VanDerWaalsContact NZ-OE1 3.14Å; K3643-E3646 IonicContact NZ-OE2 3.26Å; K3643-E3646 PolarHBondContact NZ-OE2 2.68Å; K3643-E3646 PolarHBondContact O-N 2.86Å; K3643-L3647 HydrophobicContact CD-CD1 4.44Å; K3643-L3647 HydrophobicContact CD-CG 4.31Å; K3643-L3647 HydrophobicContact CG-CD1 3.99Å; K3643-L3647 HydrophobicContact CG-CG 4.3Å; K3643-L3647 WeakPolarHBondContact O-CB 3.3Å; K3643-L3647 VanDerWaalsContact O-CG 3.29Å; K3643-L3647 WeakPolarHBondContact O-CG 3.33Å; K3643-L3647 PolarHBondContact O-N 3.45Å
3644Y86.5Confident86.7Confident25 Ų2532 Ų3210%0.09818%0.176CC..Hα-helixtrans-59.9-44.6173175.3-101.4000111.4F3537 I3541 M3580 L3596 V3636 N3640 I3641 T3648F3537-Y3644 HydrophobicContact CE1-CE1 4.11Å; I3541-Y3644 HydrophobicContact CD1-CD1 4.2Å; M3580-Y3644 HydrophobicContact SD-CD2 3.95Å; M3580-Y3644 HydrophobicContact SD-CG 4.37Å; L3596-Y3644 HydrophobicContact CD1-CD2 4.23Å; L3596-Y3644 HydrophobicContact CD1-CE2 4.17Å; V3636-Y3644 HydrophobicContact CG1-CG 4.33Å; V3636-Y3644 HydrophobicContact CG2-CD2 3.66Å; V3636-Y3644 HydrophobicContact CG2-CE2 4.27Å; V3636-Y3644 HydrophobicContact CG2-CG 3.89Å; N3640-Y3644 PolarHBondContact O-N 3.47Å; I3641-Y3644 WeakPolarHBondContact O-CB 3.12Å; I3641-Y3644 PolarHBondContact O-N 2.97Å; Y3644-T3648 WeakPolarHBondContact O-CB 3.49Å; Y3644-T3648 PolarHBondContact O-N 3.32Å; Y3644-T3648 PolarHBondContact O-OG1 3.29Å
3645L83.8Confident86.8Confident28 Ų2830.8 Ų30.815%0.14716%0.162CC..Hα-helixtrans-59.8-52.1175.6173.965.7000111.6L3538 I3541 I3641 E3642 K3643 T3648 L3649L3538-L3645 HydrophobicContact CB-CD1 3.84Å; L3538-L3645 HydrophobicContact CD1-CD1 3.86Å; L3538-L3645 HydrophobicContact CD2-CD1 3.76Å; L3538-L3645 HydrophobicContact CG-CD1 4.01Å; I3541-L3645 HydrophobicContact CG2-CB 4.14Å; I3541-L3645 HydrophobicContact CG2-CD2 4.01Å; I3641-L3645 PolarHBondContact O-N 2.89Å; E3642-L3645 WeakPolarHBondContact O-CB 3.32Å; E3642-L3645 PolarHBondContact O-N 3.03Å; K3643-L3645 VanDerWaalsContact C-N 3.34Å; L3645-T3648 PolarHBondContact O-N 3.37Å; L3645-L3649 HydrophobicContact CD1-CD1 3.87Å; L3645-L3649 HydrophobicContact CD1-CG 4.19Å; L3645-L3649 HydrophobicContact CG-CD1 4.15Å; L3645-L3649 WeakPolarHBondContact O-CG 3.41Å; L3645-L3649 PolarHBondContact O-N 3.41Å
3646E82.3Confident86.8Confident56 Ų5626.8 Ų26.826%0.26214%0.136SC..Hα-helixtrans-57.1-52179.9-174.2-164.2157.400111.5C3498 E3642 K3643 T3648 L3649 A3650C3498-E3646 WeakPolarHBondContact O-CG 3.34Å; E3642-E3646 PolarHBondContact O-N 2.96Å; K3643-E3646 VanDerWaalsContact CD-OE2 3.29Å; K3643-E3646 WeakPolarHBondContact CD-OE2 3.16Å; K3643-E3646 VanDerWaalsContact NZ-CD 3.28Å; K3643-E3646 IonicContact NZ-OE1 2.71Å; K3643-E3646 PolarHBondContact NZ-OE1 2.87Å; K3643-E3646 VanDerWaalsContact NZ-OE1 3.14Å; K3643-E3646 IonicContact NZ-OE2 3.26Å; K3643-E3646 PolarHBondContact NZ-OE2 2.68Å; K3643-E3646 PolarHBondContact O-N 2.86Å; E3646-T3648 PolarHBondContact O-N 2.85Å; E3646-L3649 PolarHBondContact O-N 2.92Å; E3646-A3650 WeakPolarHBondContact O-CB 3.4Å; E3646-A3650 PolarHBondContact O-N 2.83Å
3647L86.7Confident87Confident13 Ų1326.7 Ų26.77%0.06814%0.136CC..Hα-helixtrans-66-38-178.1-70.6177.2000112.6L3596 D3598 K3643 F3651L3596-L3647 HydrophobicContact CB-CB 3.98Å; L3596-L3647 HydrophobicContact CB-CD1 4.08Å; L3596-L3647 HydrophobicContact CD1-CB 4.23Å; L3596-L3647 HydrophobicContact CD2-CB 4.47Å; L3596-L3647 HydrophobicContact CG-CB 4.46Å; D3598-L3647 WeakPolarHBondContact OD1-CD2 3.43Å; K3643-L3647 HydrophobicContact CD-CD1 4.44Å; K3643-L3647 HydrophobicContact CD-CG 4.31Å; K3643-L3647 HydrophobicContact CG-CD1 3.99Å; K3643-L3647 HydrophobicContact CG-CG 4.3Å; K3643-L3647 WeakPolarHBondContact O-CB 3.3Å; K3643-L3647 VanDerWaalsContact O-CG 3.29Å; K3643-L3647 WeakPolarHBondContact O-CG 3.33Å; K3643-L3647 PolarHBondContact O-N 3.45Å; L3647-F3651 VanDerWaalsContact O-CB 3.29Å; L3647-F3651 WeakPolarHBondContact O-CB 3.22Å; L3647-F3651 PolarHBondContact O-N 2.67Å
3648T87.1Confident87.1Confident8 Ų826.3 Ų26.35%0.04913%0.129CC..Hα-helixtrans-64.9-45.6177.4-61.60000111L3596 Y3644 L3645 E3646 F3651 C3652L3596-T3648 WeakPolarHBondContact CD1-OG1 3.36Å; Y3644-T3648 WeakPolarHBondContact O-CB 3.49Å; Y3644-T3648 PolarHBondContact O-N 3.32Å; Y3644-T3648 PolarHBondContact O-OG1 3.29Å; L3645-T3648 PolarHBondContact O-N 3.37Å; E3646-T3648 PolarHBondContact O-N 2.85Å; T3648-F3651 PolarHBondContact O-N 2.91Å; T3648-C3652 WeakPolarHBondContact O-CB 3.43Å; T3648-C3652 PolarHBondContact O-N 2.83Å; T3648-C3652 PolarHBondContact O-SG 3.39Å
3649L85.7Confident87.4Confident32 Ų3230.1 Ų30.117%0.16815%0.145CC..Hα-helixtrans-63.5-47.6176.7-71.4175.6000111.2L3524 F3527 L3538 L3645 E3646 F3651 C3652 L3653L3524-L3649 HydrophobicContact CD1-CD1 4.45Å; L3524-L3649 HydrophobicContact CD1-CD2 4.11Å; F3527-L3649 HydrophobicContact CB-CD2 3.82Å; F3527-L3649 HydrophobicContact CD1-CD2 4.38Å; F3527-L3649 HydrophobicContact CD2-CD2 3.62Å; F3527-L3649 HydrophobicContact CE2-CD2 4.27Å; F3527-L3649 HydrophobicContact CG-CD2 3.68Å; L3538-L3649 HydrophobicContact CD1-CD2 3.93Å; L3538-L3649 HydrophobicContact CD1-CG 4.4Å; L3645-L3649 HydrophobicContact CD1-CD1 3.87Å; L3645-L3649 HydrophobicContact CD1-CG 4.19Å; L3645-L3649 HydrophobicContact CG-CD1 4.15Å; L3645-L3649 WeakPolarHBondContact O-CG 3.41Å; L3645-L3649 PolarHBondContact O-N 3.41Å; E3646-L3649 PolarHBondContact O-N 2.92Å; L3649-F3651 VanDerWaalsContact C-N 3.31Å; L3649-F3651 PolarHBondContact O-N 2.64Å; L3649-C3652 PolarHBondContact O-N 2.83Å; L3649-L3653 HydrophobicContact CD2-CD1 4.16Å; L3649-L3653 WeakPolarHBondContact O-CB 3.31Å; L3649-L3653 PolarHBondContact O-N 3.3Å
3650A85Confident87.9Confident30 Ų3024.4 Ų24.425%0.24812%0.119CC..Hα-helixtrans-59.9-41178.100000111.9E3646 D3654 K3655E3646-A3650 WeakPolarHBondContact O-CB 3.4Å; E3646-A3650 PolarHBondContact O-N 2.83Å; A3650-D3654 CarbonylContact O-C 3.38Å; A3650-D3654 WeakPolarHBondContact O-CB 3.04Å; A3650-D3654 PolarHBondContact O-N 3.48Å; A3650-K3655 HydrophobicContact CB-CD 4.49Å; A3650-K3655 PolarHBondContact O-N 3.43Å
3651F90.4Very high88.1Confident1 Ų122.8 Ų22.80%0.00411%0.11CC..Iπ-helixtrans-69.2-47.1177.5-171.5-96.5000112.3P3351 P3353 F3582 Y3594 L3596 Y3600 L3647 T3648 L3649 G3656P3351-F3651 HydrophobicContact CB-CD1 4.22Å; P3351-F3651 HydrophobicContact CB-CE1 3.98Å; P3353-F3651 HydrophobicContact CG-CZ 4.41Å; F3582-F3651 HydrophobicContact CB-CD1 3.94Å; F3582-F3651 HydrophobicContact CB-CE1 4.01Å; F3582-F3651 AromaticContact CD1-CD1 3.9Å; F3582-F3651 HydrophobicContact CD1-CD1 3.9Å; F3582-F3651 AromaticContact CD1-CE1 3.36Å; F3582-F3651 HydrophobicContact CD1-CE1 3.36Å; F3582-F3651 HydrophobicContact CD1-CZ 4.3Å; F3582-F3651 AromaticContact CD2-CD1 3.85Å; F3582-F3651 HydrophobicContact CD2-CD1 3.85Å; F3582-F3651 HydrophobicContact CD2-CE1 4.19Å; F3582-F3651 HydrophobicContact CE1-CD1 4.39Å; F3582-F3651 AromaticContact CE1-CE1 3.82Å; F3582-F3651 HydrophobicContact CE1-CE1 3.82Å; F3582-F3651 HydrophobicContact CE2-CD1 4.37Å; F3582-F3651 AromaticContact CG-CD1 3.59Å; F3582-F3651 HydrophobicContact CG-CD1 3.59Å; F3582-F3651 AromaticContact CG-CE1 3.56Å; F3582-F3651 HydrophobicContact CG-CE1 3.56Å; F3582-F3651 HydrophobicContact CZ-CE1 4.42Å; Y3594-F3651 HydrophobicContact CD1-CE2 4.17Å; Y3594-F3651 HydrophobicContact CD1-CZ 4.27Å; Y3594-F3651 HydrophobicContact CE1-CE2 4.45Å; L3596-F3651 HydrophobicContact CD2-CB 3.63Å; L3596-F3651 HydrophobicContact CD2-CD1 4.45Å; L3596-F3651 HydrophobicContact CD2-CD2 4.41Å; L3596-F3651 HydrophobicContact CD2-CG 3.92Å; Y3600-F3651 AromaticContact CE2-CD2 3.93Å; Y3600-F3651 HydrophobicContact CE2-CD2 3.93Å; Y3600-F3651 HydrophobicContact CE2-CE2 4.35Å; Y3600-F3651 AromaticContact CZ-CD2 3.93Å; Y3600-F3651 WeakPolarHBondContact OH-CD2 3.41Å; L3647-F3651 VanDerWaalsContact O-CB 3.29Å; L3647-F3651 WeakPolarHBondContact O-CB 3.22Å; L3647-F3651 PolarHBondContact O-N 2.67Å; T3648-F3651 PolarHBondContact O-N 2.91Å; L3649-F3651 VanDerWaalsContact C-N 3.31Å; L3649-F3651 PolarHBondContact O-N 2.64Å; F3651-G3656 VanDerWaalsContact O-CA 3.29Å; F3651-G3656 WeakPolarHBondContact O-CA 3.39Å; F3651-G3656 PolarHBondContact O-N 2.7Å
3652C90.5Very high88.4Confident0 Ų025 Ų250%012%0.122CC..Iπ-helixtrans-73.8-33.1-173.8-64.40000114.1F3527 Y3531 F3582 T3648 L3649F3527-C3652 HydrophobicContact CD2-CB 4.26Å; F3527-C3652 HydrophobicContact CE2-CB 3.79Å; Y3531-C3652 HydrophobicContact CE2-CB 4.14Å; F3582-C3652 WeakPolarHBondContact CE2-SG 3.16Å; T3648-C3652 WeakPolarHBondContact O-CB 3.43Å; T3648-C3652 PolarHBondContact O-N 2.83Å; T3648-C3652 PolarHBondContact O-SG 3.39Å; L3649-C3652 PolarHBondContact O-N 2.83Å
3653L87.5Confident88.9Confident10 Ų1023.5 Ų23.55%0.05212%0.118CC..Iπ-helixtrans-106.4-13.9-171.8-58.2-179.7000114.2F3348 L3522 F3527 I3530 L3649 I3657F3348-L3653 HydrophobicContact CZ-CD2 4.44Å; L3522-L3653 HydrophobicContact CB-CB 4.11Å; L3522-L3653 HydrophobicContact CB-CD1 4Å; L3522-L3653 HydrophobicContact CB-CG 4.46Å; L3522-L3653 HydrophobicContact CD1-CB 4.3Å; L3522-L3653 HydrophobicContact CD1-CD2 4.23Å; F3527-L3653 HydrophobicContact CB-CD1 4.18Å; F3527-L3653 HydrophobicContact CB-CD2 4.42Å; F3527-L3653 HydrophobicContact CD2-CD1 4.44Å; F3527-L3653 HydrophobicContact CD2-CD2 4.12Å; F3527-L3653 HydrophobicContact CD2-CG 4.21Å; I3530-L3653 HydrophobicContact CD1-CD2 3.57Å; L3649-L3653 HydrophobicContact CD2-CD1 4.16Å; L3649-L3653 WeakPolarHBondContact O-CB 3.31Å; L3649-L3653 PolarHBondContact O-N 3.3Å; L3653-I3657 VanDerWaalsContact O-CD1 3.28Å; L3653-I3657 WeakPolarHBondContact O-CD1 3.38Å
3654D87Confident89.5Confident18 Ų1820.8 Ų20.810%0.09611%0.106CC..Iπ-helixtrans-135.3-80.8-177.217513.7000110.8I3518 S3519 A3650 G3656 I3657 R3658I3518-D3654 WeakPolarHBondContact CD1-O 3.5Å; I3518-D3654 WeakPolarHBondContact CD1-OD1 3.38Å; I3518-D3654 HydrophobicContact CG1-CB 4.31Å; I3518-D3654 WeakPolarHBondContact CG1-OD1 3.48Å; S3519-D3654 WeakPolarHBondContact CA-OD2 3.44Å; S3519-D3654 WeakPolarHBondContact CB-OD2 3.17Å; S3519-D3654 PolarHBondContact OG-OD2 2.78Å; A3650-D3654 CarbonylContact O-C 3.38Å; A3650-D3654 WeakPolarHBondContact O-CB 3.04Å; A3650-D3654 PolarHBondContact O-N 3.48Å; D3654-G3656 VanDerWaalsContact C-N 3.31Å; D3654-G3656 PolarHBondContact O-N 2.75Å; D3654-G3656 VanDerWaalsContact O-N 3.13Å; D3654-I3657 WeakPolarHBondContact O-CG1 3.3Å; D3654-I3657 PolarHBondContact O-N 2.94Å; D3654-R3658 VanDerWaalsContact CG-NH2 3.32Å; D3654-R3658 WeakPolarHBondContact O-CG 3.29Å; D3654-R3658 PolarHBondContact O-N 2.84Å; D3654-R3658 IonicContact OD1-CZ 2.75Å; D3654-R3658 IonicContact OD1-NE 2.66Å; D3654-R3658 PolarHBondContact OD1-NE 3.41Å; D3654-R3658 IonicContact OD1-NH2 3.98Å; D3654-R3658 PolarHBondContact OD1-NH2 2.83Å; D3654-R3658 IonicContact OD2-CZ 3.6Å; D3654-R3658 IonicContact OD2-NE 2.59Å; D3654-R3658 IonicContact OD2-NH2 3.66Å; D3654-R3658 PolarHBondContact OD2-NH2 3.35Å
3655K88.7Confident89.8Confident21 Ų2121.3 Ų21.39%0.09111%0.109CC..Iπ-helixtrans-56.6-40.3-166.6-59.3179.9170.1-147.70114K3597 D3598 Y3600 E3603 A3650 I3657K3597-K3655 PolarHBondContact O-NZ 3.41Å; D3598-K3655 PolarHBondContact O-NZ 3.19Å; Y3600-K3655 HydrophobicContact CD2-CD 3.94Å; Y3600-K3655 HydrophobicContact CE2-CD 3.77Å; E3603-K3655 WeakPolarHBondContact OE1-CE 3.38Å; E3603-K3655 IonicContact OE1-NZ 3.14Å; E3603-K3655 PolarHBondContact OE1-NZ 3.3Å; E3603-K3655 IonicContact OE2-NZ 3.7Å; A3650-K3655 HydrophobicContact CB-CD 4.49Å; A3650-K3655 PolarHBondContact O-N 3.43Å; K3655-I3657 VanDerWaalsContact C-N 3.28Å; K3655-I3657 PolarHBondContact O-N 3.14Å
3656G91.2Very high90.3Very high1 Ų123.9 Ų23.91%0.0112%0.123CC..THydrogen-bonded Turntrans-76.8-9.1-177.500000114.6P3351 W3352 F3651 D3654 Q3660P3351-G3656 CarbonylContact C-O 3.53Å; P3351-G3656 WeakPolarHBondContact CA-O 3.49Å; W3352-G3656 PolarHBondContact N-O 2.94Å; W3352-G3656 CarbonylContact O-C 3.07Å; W3352-G3656 VanDerWaalsContact O-CA 3.24Å; W3352-G3656 WeakPolarHBondContact O-CA 3.21Å; F3651-G3656 VanDerWaalsContact O-CA 3.29Å; F3651-G3656 WeakPolarHBondContact O-CA 3.39Å; F3651-G3656 PolarHBondContact O-N 2.7Å; D3654-G3656 VanDerWaalsContact C-N 3.31Å; D3654-G3656 PolarHBondContact O-N 2.75Å; D3654-G3656 VanDerWaalsContact O-N 3.13Å; G3656-Q3660 PolarHBondContact O-NE2 3.31Å; G3656-Q3660 PolarHBondContact O-OE1 3.04Å
3657I93.3Very high90.7Very high0 Ų021.2 Ų21.20%011%0.11CC..THydrogen-bonded Turntrans-117-4-178.165.6171.7000113.5F3348 P3349 P3351 L3393 I3518 L3653 D3654 K3655 K3659 Q3660 L3661F3348-I3657 HydrophobicContact CE1-CD1 4.13Å; F3348-I3657 HydrophobicContact CE1-CG2 4.28Å; F3348-I3657 HydrophobicContact CE2-CD1 4.5Å; F3348-I3657 HydrophobicContact CZ-CD1 3.63Å; P3349-I3657 HydrophobicContact CB-CB 4.29Å; P3349-I3657 HydrophobicContact CB-CG2 3.97Å; P3351-I3657 HydrophobicContact CB-CG2 4.46Å; L3393-I3657 HydrophobicContact CD1-CD1 3.92Å; I3518-I3657 HydrophobicContact CD1-CD1 4.29Å; I3518-I3657 HydrophobicContact CD1-CG1 3.83Å; L3653-I3657 VanDerWaalsContact O-CD1 3.28Å; L3653-I3657 WeakPolarHBondContact O-CD1 3.38Å; D3654-I3657 WeakPolarHBondContact O-CG1 3.3Å; D3654-I3657 PolarHBondContact O-N 2.94Å; K3655-I3657 VanDerWaalsContact C-N 3.28Å; K3655-I3657 PolarHBondContact O-N 3.14Å; I3657-K3659 PolarHBondContact O-N 3.14Å; I3657-Q3660 PolarHBondContact O-N 3.46Å; I3657-Q3660 PolarHBondContact O-OE1 2.81Å; I3657-L3661 HydrophobicContact CD1-CD1 3.72Å; I3657-L3661 HydrophobicContact CG1-CD1 3.97Å; I3657-L3661 WeakPolarHBondContact O-CG 3.34Å; I3657-L3661 PolarHBondContact O-N 2.91Å
3658R91.8Very high91.1Very high36 Ų3620.6 Ų20.614%0.13611%0.107CC..Hα-helixtrans-53.1-54.9-176.7-68.4-175.6179.1164.71112.8H3516 I3518 S3519 E3603 D3654 Q3660 L3661 D3662H3516-R3658 HydrophobicContact CB-CG 4.37Å; I3518-R3658 HydrophobicContact CD1-CB 4.45Å; I3518-R3658 HydrophobicContact CD1-CG 3.7Å; I3518-R3658 HydrophobicContact CG1-CG 4.44Å; S3519-R3658 PolarHBondContact OG-NH2 3.31Å; E3603-R3658 IonicContact OE2-CZ 2.64Å; E3603-R3658 IonicContact OE2-NH1 2.99Å; E3603-R3658 PolarHBondContact OE2-NH1 2.92Å; E3603-R3658 IonicContact OE2-NH2 2.76Å; D3654-R3658 VanDerWaalsContact CG-NH2 3.32Å; D3654-R3658 WeakPolarHBondContact O-CG 3.29Å; D3654-R3658 PolarHBondContact O-N 2.84Å; D3654-R3658 IonicContact OD1-CZ 2.75Å; D3654-R3658 IonicContact OD1-NE 2.66Å; D3654-R3658 PolarHBondContact OD1-NE 3.41Å; D3654-R3658 IonicContact OD1-NH2 3.98Å; D3654-R3658 PolarHBondContact OD1-NH2 2.83Å; D3654-R3658 IonicContact OD2-CZ 3.6Å; D3654-R3658 IonicContact OD2-NE 2.59Å; D3654-R3658 IonicContact OD2-NH2 3.66Å; D3654-R3658 PolarHBondContact OD2-NH2 3.35Å; R3658-Q3660 VanDerWaalsContact C-N 3.31Å; R3658-Q3660 PolarHBondContact O-N 3.22Å; R3658-L3661 PolarHBondContact O-N 2.98Å; R3658-L3661 VanDerWaalsContact O-N 3.12Å; R3658-D3662 PolarHBondContact O-N 3.39Å
3659K91.9Very high91.4Very high87 Ų8723.9 Ų23.938%0.37812%0.122SC..Hα-helixtrans-61.6-38.6-177-69.9-163.4173.3-172.30112.7G3354 V3357 L3362 I3657 A3663G3354-K3659 WeakPolarHBondContact O-CD 3.34Å; G3354-K3659 WeakPolarHBondContact O-CE 3.44Å; G3354-K3659 PolarHBondContact O-NZ 3.38Å; V3357-K3659 HydrophobicContact CG2-CB 4.36Å; V3357-K3659 HydrophobicContact CG2-CD 4.15Å; L3362-K3659 HydrophobicContact CD2-CB 3.77Å; I3657-K3659 PolarHBondContact O-N 3.14Å; K3659-A3663 WeakPolarHBondContact O-CB 3.35Å; K3659-A3663 PolarHBondContact O-N 3.14Å
3660Q95.3Very high91.6Very high2 Ų227.9 Ų27.91%0.00914%0.135CC..Hα-helixtrans-64.4-43.1176.7-6191.1-59.400110.9A3350 V3357 V3361 L3362 F3365 G3656 I3657 R3658 A3663 F3664A3350-Q3660 PolarHBondContact O-NE2 3.45Å; V3357-Q3660 HydrophobicContact CG1-CG 4.39Å; V3361-Q3660 HydrophobicContact CG1-CG 4.38Å; L3362-Q3660 HydrophobicContact CD2-CG 4.43Å; F3365-Q3660 WeakPolarHBondContact CB-O 3.29Å; F3365-Q3660 HydrophobicContact CD1-CB 4.23Å; F3365-Q3660 HydrophobicContact CD2-CB 3.62Å; F3365-Q3660 HydrophobicContact CD2-CG 3.8Å; F3365-Q3660 HydrophobicContact CE1-CB 4.34Å; F3365-Q3660 HydrophobicContact CE2-CB 3.73Å; F3365-Q3660 HydrophobicContact CE2-CG 3.72Å; F3365-Q3660 HydrophobicContact CG-CB 3.9Å; F3365-Q3660 HydrophobicContact CZ-CB 4.1Å; F3365-Q3660 HydrophobicContact CZ-CG 4.43Å; G3656-Q3660 PolarHBondContact O-NE2 3.31Å; G3656-Q3660 PolarHBondContact O-OE1 3.04Å; I3657-Q3660 PolarHBondContact O-N 3.46Å; I3657-Q3660 PolarHBondContact O-OE1 2.81Å; R3658-Q3660 VanDerWaalsContact C-N 3.31Å; R3658-Q3660 PolarHBondContact O-N 3.22Å; Q3660-A3663 PolarHBondContact O-N 3.45Å; Q3660-F3664 PolarHBondContact O-N 2.95Å
3661L94Very high91.9Very high1 Ų126.7 Ų26.71%0.00512%0.124CC..Hα-helixtrans-74.1-32.6179-68.8179.5000113.1P3349 L3390 L3393 W3517 I3518 I3657 R3658 F3664 K3665P3349-L3661 HydrophobicContact CG-CD2 4.38Å; L3390-L3661 HydrophobicContact CD1-CD2 3.8Å; L3393-L3661 HydrophobicContact CD1-CD1 3.7Å; W3517-L3661 HydrophobicContact CH2-CB 4.38Å; W3517-L3661 HydrophobicContact CZ2-CB 3.92Å; I3518-L3661 HydrophobicContact CD1-CD1 3.83Å; I3518-L3661 HydrophobicContact CG2-CD1 3.76Å; I3657-L3661 HydrophobicContact CD1-CD1 3.72Å; I3657-L3661 HydrophobicContact CG1-CD1 3.97Å; I3657-L3661 WeakPolarHBondContact O-CG 3.34Å; I3657-L3661 PolarHBondContact O-N 2.91Å; R3658-L3661 PolarHBondContact O-N 2.98Å; R3658-L3661 VanDerWaalsContact O-N 3.12Å; L3661-F3664 PolarHBondContact O-N 3.3Å; L3661-K3665 VanDerWaalsContact O-CB 3.3Å; L3661-K3665 WeakPolarHBondContact O-CB 3.15Å; L3661-K3665 PolarHBondContact O-N 3Å
3662D91.8Very high91.9Very high48 Ų4826.8 Ų26.826%0.25713%0.125SC..Hα-helixtrans-65.3-44.8170.4-73.1-23.9000110.9H3516 W3517 R3658 F3664 K3665 D3666H3516-D3662 IonicContact CD2-OD2 3.51Å; H3516-D3662 IonicContact CE1-OD1 2.73Å; H3516-D3662 IonicContact NE2-OD1 3.76Å; H3516-D3662 PolarHBondContact NE2-OD1 3.1Å; H3516-D3662 IonicContact NE2-OD2 3.95Å; H3516-D3662 PolarHBondContact NE2-OD2 3.15Å; W3517-D3662 PolarHBondContact NE1-OD1 3.21Å; R3658-D3662 PolarHBondContact O-N 3.39Å; D3662-F3664 VanDerWaalsContact C-N 3.34Å; D3662-F3664 PolarHBondContact O-N 2.87Å; D3662-K3665 WeakPolarHBondContact O-CB 3.47Å; D3662-K3665 PolarHBondContact O-N 3.06Å; D3662-D3666 WeakPolarHBondContact O-CB 3.19Å; D3662-D3666 VanDerWaalsContact O-CG 3.27Å; D3662-D3666 PolarHBondContact O-N 2.67Å
3663A93Very high91.8Very high15 Ų1529.4 Ų29.412%0.12414%0.141CC..Hα-helixtrans-60.1-44.2173.800000111.5L3362 F3365 F3366 K3659 Q3660 D3666 G3667L3362-A3663 HydrophobicContact CB-CB 4.31Å; L3362-A3663 HydrophobicContact CD2-CB 4.39Å; L3362-A3663 WeakPolarHBondContact O-CB 3.39Å; F3365-A3663 HydrophobicContact CB-CB 4.17Å; F3366-A3663 VanDerWaalsContact CA-O 3.26Å; F3366-A3663 WeakPolarHBondContact CA-O 3.48Å; F3366-A3663 HydrophobicContact CB-CB 4.38Å; K3659-A3663 WeakPolarHBondContact O-CB 3.35Å; K3659-A3663 PolarHBondContact O-N 3.14Å; Q3660-A3663 PolarHBondContact O-N 3.45Å; A3663-D3666 PolarHBondContact O-N 3.2Å; A3663-G3667 PolarHBondContact O-N 3.44Å
3664F96Very high91.9Very high5 Ų528.9 Ų28.92%0.02214%0.139CC..Hα-helixtrans-58.2-48.7173.3175.6-83.7000111.9F3365 L3368 G3369 V3372 L3394 Q3660 L3661 D3662 D3666 G3667 F3668 L3674F3365-F3664 HydrophobicContact CB-CB 4.48Å; F3365-F3664 HydrophobicContact CD1-CB 4.36Å; F3365-F3664 WeakPolarHBondContact O-CA 3.3Å; L3368-F3664 HydrophobicContact CB-CD2 4.41Å; L3368-F3664 HydrophobicContact CD2-CD2 3.95Å; L3368-F3664 HydrophobicContact CD2-CE2 4.19Å; L3368-F3664 HydrophobicContact CG-CD2 3.88Å; L3368-F3664 HydrophobicContact CG-CE2 3.89Å; G3369-F3664 WeakPolarHBondContact CA-O 3.33Å; V3372-F3664 HydrophobicContact CB-CZ 4.48Å; V3372-F3664 HydrophobicContact CG2-CE2 4.28Å; L3394-F3664 HydrophobicContact CD1-CE1 4.05Å; L3394-F3664 HydrophobicContact CD1-CZ 3.87Å; L3394-F3664 HydrophobicContact CD2-CD1 3.81Å; L3394-F3664 HydrophobicContact CD2-CE1 3.42Å; L3394-F3664 VanDerWaalsContact CD2-CE1 3.42Å; L3394-F3664 HydrophobicContact CD2-CZ 4.11Å; L3394-F3664 HydrophobicContact CG-CE1 4.39Å; Q3660-F3664 PolarHBondContact O-N 2.95Å; L3661-F3664 PolarHBondContact O-N 3.3Å; D3662-F3664 VanDerWaalsContact C-N 3.34Å; D3662-F3664 PolarHBondContact O-N 2.87Å; F3664-D3666 PolarHBondContact O-N 3.02Å; F3664-G3667 PolarHBondContact O-N 3.46Å; F3664-F3668 HydrophobicContact CE1-CB 4.26Å; F3664-F3668 AromaticContact CE1-CD2 3.97Å; F3664-F3668 HydrophobicContact CE1-CD2 3.97Å; F3664-F3668 HydrophobicContact CE1-CG 4.39Å; F3664-F3668 AromaticContact CZ-CD2 3.96Å; F3664-F3668 HydrophobicContact CZ-CD2 3.96Å; F3664-F3668 WeakPolarHBondContact O-CB 3.44Å; F3664-F3668 PolarHBondContact O-N 3.47Å; F3664-L3674 HydrophobicContact CE1-CD1 4.05Å
3665K93.4Very high91.9Very high35 Ų3532.4 Ų32.415%0.15215%0.151CC..Hα-helixtrans-58.4-49.4178.8172.8-166.1156.4-63.10110.5Y3397 L3661 D3662 G3667 F3668 E3669 L3674Y3397-K3665 HydrophobicContact CE2-CD 4.04Å; Y3397-K3665 WeakPolarHBondContact OH-CE 3.36Å; L3661-K3665 VanDerWaalsContact O-CB 3.3Å; L3661-K3665 WeakPolarHBondContact O-CB 3.15Å; L3661-K3665 PolarHBondContact O-N 3Å; D3662-K3665 WeakPolarHBondContact O-CB 3.47Å; D3662-K3665 PolarHBondContact O-N 3.06Å; K3665-G3667 VanDerWaalsContact C-N 3.28Å; K3665-G3667 PolarHBondContact O-N 3.34Å; K3665-F3668 PolarHBondContact O-N 3.37Å; K3665-E3669 WeakPolarHBondContact CE-OE2 3.4Å; K3665-E3669 HydrophobicContact CG-CG 4.32Å; K3665-E3669 IonicContact NZ-OE2 3.67Å; K3665-E3669 PolarHBondContact NZ-OE2 2.64Å; K3665-E3669 WeakPolarHBondContact O-CB 3.35Å; K3665-E3669 WeakPolarHBondContact O-CG 3.35Å; K3665-E3669 PolarHBondContact O-N 3.48Å; K3665-L3674 HydrophobicContact CB-CD2 3.97Å; K3665-L3674 HydrophobicContact CG-CD2 3.84Å
3666D93Very high92Very high83 Ų8332 Ų3244%0.44415%0.149SC..Hα-helixtrans-61.3-39.9-178.9-71.4-10.7000111.2F3366 D3662 A3663 F3664 R3670F3366-D3666 HydrophobicContact CD2-CB 4.29Å; F3366-D3666 HydrophobicContact CE2-CB 4.36Å; D3662-D3666 WeakPolarHBondContact O-CB 3.19Å; D3662-D3666 VanDerWaalsContact O-CG 3.27Å; D3662-D3666 PolarHBondContact O-N 2.67Å; A3663-D3666 PolarHBondContact O-N 3.2Å; F3664-D3666 PolarHBondContact O-N 3.02Å; D3666-R3670 WeakPolarHBondContact O-CG 3.31Å; D3666-R3670 PolarHBondContact O-N 3.35Å
3667G92.1Very high92Very high0 Ų032 Ų320%015%0.148CC..Hα-helixtrans-64.2-47.717300000112.9F3366 I3370 A3663 F3664 K3665 E3669 R3670F3366-G3667 VanDerWaalsContact CD2-CA 3.4Å; F3366-G3667 VanDerWaalsContact CD2-N 3.31Å; F3366-G3667 WeakPolarHBondContact O-CA 3.34Å; I3370-G3667 WeakPolarHBondContact CG1-O 3.27Å; A3663-G3667 PolarHBondContact O-N 3.44Å; F3664-G3667 PolarHBondContact O-N 3.46Å; K3665-G3667 VanDerWaalsContact C-N 3.28Å; K3665-G3667 PolarHBondContact O-N 3.34Å; G3667-E3669 PolarHBondContact O-N 3.26Å; G3667-R3670 WeakPolarHBondContact O-CB 3.32Å; G3667-R3670 PolarHBondContact O-N 3.02Å
3668F94.6Very high91.7Very high0 Ų032.1 Ų32.10%015%0.149CC..Hα-helixtrans-59.8-45.7179.3-168.7-77.6000111.5G3369 V3372 A3373 L3376 F3664 K3665 R3670 V3671 L3672 L3674 L3677G3369-F3668 WeakPolarHBondContact O-CA 2.99Å; V3372-F3668 HydrophobicContact CG1-CE2 4.08Å; A3373-F3668 HydrophobicContact CB-CD1 4.18Å; A3373-F3668 HydrophobicContact CB-CD2 3.68Å; A3373-F3668 HydrophobicContact CB-CE1 4.25Å; A3373-F3668 HydrophobicContact CB-CE2 3.77Å; A3373-F3668 HydrophobicContact CB-CG 3.88Å; A3373-F3668 HydrophobicContact CB-CZ 4.05Å; L3376-F3668 HydrophobicContact CD1-CE2 4.29Å; L3376-F3668 HydrophobicContact CD1-CZ 4.25Å; F3664-F3668 HydrophobicContact CE1-CB 4.26Å; F3664-F3668 AromaticContact CE1-CD2 3.97Å; F3664-F3668 HydrophobicContact CE1-CD2 3.97Å; F3664-F3668 HydrophobicContact CE1-CG 4.39Å; F3664-F3668 AromaticContact CZ-CD2 3.96Å; F3664-F3668 HydrophobicContact CZ-CD2 3.96Å; F3664-F3668 WeakPolarHBondContact O-CB 3.44Å; F3664-F3668 PolarHBondContact O-N 3.47Å; K3665-F3668 PolarHBondContact O-N 3.37Å; F3668-R3670 PolarHBondContact O-N 3.29Å; F3668-V3671 PolarHBondContact O-N 3.01Å; F3668-L3672 CarbonylContact C-O 3.6Å; F3668-L3672 WeakPolarHBondContact CD1-O 3.39Å; F3668-L3672 HydrophobicContact CE1-CD1 3.54Å; F3668-L3672 HydrophobicContact CE1-CG 3.72Å; F3668-L3672 WeakPolarHBondContact CE1-O 3.46Å; F3668-L3672 HydrophobicContact CZ-CD1 3.88Å; F3668-L3672 HydrophobicContact CZ-CG 4.15Å; F3668-L3672 PolarHBondContact O-N 2.64Å; F3668-L3672 VanDerWaalsContact O-N 3.14Å; F3668-L3672 VanDerWaalsContact O-O 3.05Å; F3668-L3674 HydrophobicContact CB-CD1 4.31Å; F3668-L3674 HydrophobicContact CD1-CB 3.92Å; F3668-L3674 HydrophobicContact CD1-CD1 3.65Å; F3668-L3674 HydrophobicContact CD1-CG 4.43Å; F3668-L3674 HydrophobicContact CD2-CD1 4Å; F3668-L3674 HydrophobicContact CE1-CB 4.32Å; F3668-L3674 HydrophobicContact CE1-CD1 3.92Å; F3668-L3674 HydrophobicContact CE2-CD1 4.24Å; F3668-L3674 HydrophobicContact CG-CD1 3.72Å; F3668-L3674 HydrophobicContact CZ-CD1 4.21Å; F3668-L3677 HydrophobicContact CE1-CG 4.48Å; F3668-L3677 HydrophobicContact CE2-CD1 3.95Å; F3668-L3677 HydrophobicContact CE2-CD2 4.32Å; F3668-L3677 HydrophobicContact CE2-CG 4.4Å; F3668-L3677 HydrophobicContact CZ-CD1 3.92Å; F3668-L3677 HydrophobicContact CZ-CD2 3.76Å; F3668-L3677 HydrophobicContact CZ-CG 3.87Å
3669E92.4Very high91.5Very high76 Ų7630.4 Ų30.436%0.35514%0.143SC..Hα-helixtrans-69.6-13.5-178.3-70.4-172.6156.800113.7Y3397 K3665 G3667 V3671 L3672 L3674Y3397-E3669 PolarHBondContact OH-OE1 2.6Å; K3665-E3669 WeakPolarHBondContact CE-OE2 3.4Å; K3665-E3669 HydrophobicContact CG-CG 4.32Å; K3665-E3669 IonicContact NZ-OE2 3.67Å; K3665-E3669 PolarHBondContact NZ-OE2 2.64Å; K3665-E3669 WeakPolarHBondContact O-CB 3.35Å; K3665-E3669 WeakPolarHBondContact O-CG 3.35Å; K3665-E3669 PolarHBondContact O-N 3.48Å; G3667-E3669 PolarHBondContact O-N 3.26Å; E3669-V3671 PolarHBondContact O-N 2.83Å; E3669-L3672 WeakPolarHBondContact CA-O 3.11Å; E3669-L3674 HydrophobicContact CG-CB 4.09Å
3670R91.8Very high91.4Very high117 Ų11726.3 Ų26.344%0.44213%0.125SC..THydrogen-bonded Turntrans-65.4-22.9167-62.2-167.994.2167.210.4113E3242 A3245 F3366 D3666 G3667 F3668E3242-R3670 IonicContact OE1-NH1 3.1Å; A3245-R3670 HydrophobicContact CB-CB 3.83Å; F3366-R3670 VanDerWaalsContact CZ-CD 3.49Å; D3666-R3670 WeakPolarHBondContact O-CG 3.31Å; D3666-R3670 PolarHBondContact O-N 3.35Å; G3667-R3670 WeakPolarHBondContact O-CB 3.32Å; G3667-R3670 PolarHBondContact O-N 3.02Å; F3668-R3670 PolarHBondContact O-N 3.29Å
3671V91.4Very high90.9Very high4 Ų427 Ų272%0.02413%0.129CC..THydrogen-bonded Turntrans-104.9-55.1-177-173.50000110.6A3245 K3248 I3370 A3373 K3374 Q3377 F3668 E3669A3245-V3671 HydrophobicContact CB-CG2 4.18Å; K3248-V3671 PolarHBondContact NZ-O 3.36Å; I3370-V3671 HydrophobicContact CG2-CG2 4Å; A3373-V3671 HydrophobicContact CB-CB 3.58Å; A3373-V3671 HydrophobicContact CB-CG1 3.98Å; A3373-V3671 HydrophobicContact CB-CG2 3.91Å; K3374-V3671 HydrophobicContact CD-CG1 4.07Å; K3374-V3671 HydrophobicContact CD-CG2 4.43Å; K3374-V3671 HydrophobicContact CG-CG1 4.26Å; K3374-V3671 HydrophobicContact CG-CG2 4.03Å; Q3377-V3671 HydrophobicContact CB-CG1 4.4Å; Q3377-V3671 VanDerWaalsContact OE1-CG1 3.29Å; F3668-V3671 PolarHBondContact O-N 3.01Å; E3669-V3671 PolarHBondContact O-N 2.83Å
3672L90.1Very high90.5Very high4 Ų427.3 Ų27.32%0.02113%0.132CC..SBendtrans-152.9153.8177.469.8109.2000111.8F2949 F2954 A3373 Q3377 F3668 E3669 L3674 W3676F2949-L3672 HydrophobicContact CE2-CD1 4.17Å; F2949-L3672 HydrophobicContact CZ-CD1 4.48Å; F2954-L3672 HydrophobicContact CD1-CD2 3.96Å; F2954-L3672 HydrophobicContact CE1-CD2 3.85Å; A3373-L3672 HydrophobicContact CB-CD2 4.04Å; A3373-L3672 HydrophobicContact CB-CG 4.35Å; A3373-L3672 WeakPolarHBondContact O-CD2 3.29Å; Q3377-L3672 HydrophobicContact CB-CD2 4.47Å; F3668-L3672 CarbonylContact C-O 3.6Å; F3668-L3672 WeakPolarHBondContact CD1-O 3.39Å; F3668-L3672 HydrophobicContact CE1-CD1 3.54Å; F3668-L3672 HydrophobicContact CE1-CG 3.72Å; F3668-L3672 WeakPolarHBondContact CE1-O 3.46Å; F3668-L3672 HydrophobicContact CZ-CD1 3.88Å; F3668-L3672 HydrophobicContact CZ-CG 4.15Å; F3668-L3672 PolarHBondContact O-N 2.64Å; F3668-L3672 VanDerWaalsContact O-N 3.14Å; F3668-L3672 VanDerWaalsContact O-O 3.05Å; E3669-L3672 WeakPolarHBondContact CA-O 3.11Å; L3672-L3674 PolarHBondContact O-N 3.3Å; L3672-W3676 HydrophobicContact CD1-CB 4.11Å; L3672-W3676 HydrophobicContact CD1-CG 4.37Å
3673P88.6Confident90.2Very high54 Ų5427.6 Ų27.635%0.35114%0.136SC..  trans-61.4131.8-176.9-24.834000113.9R3675 W3676P3673-R3675 HydrophobicContact CB-CG 3.99Å; P3673-R3675 PolarHBondContact O-N 2.8Å; P3673-R3675 VanDerWaalsContact O-N 3.14Å; P3673-W3676 VanDerWaalsContact O-CD1 3.26Å; P3673-W3676 PolarHBondContact O-N 3.4Å
3674L89.2Confident90.1Very high0 Ų027.9 Ų27.90%013%0.134CC..G310 helixtrans-61.3-28.4-176.8-175.267.4000113.2Y3397 W3517 F3664 K3665 F3668 E3669 L3672 W3676 L3677Y3397-L3674 HydrophobicContact CD1-CB 3.7Å; Y3397-L3674 HydrophobicContact CD1-CD2 3.66Å; Y3397-L3674 HydrophobicContact CD1-CG 3.55Å; Y3397-L3674 HydrophobicContact CD2-CD2 3.96Å; Y3397-L3674 HydrophobicContact CE1-CB 3.61Å; Y3397-L3674 HydrophobicContact CE1-CD2 3.9Å; Y3397-L3674 HydrophobicContact CE1-CG 3.94Å; Y3397-L3674 HydrophobicContact CE2-CD2 4.16Å; Y3397-L3674 HydrophobicContact CG-CD2 3.67Å; Y3397-L3674 HydrophobicContact CG-CG 3.98Å; W3517-L3674 HydrophobicContact CH2-CD2 4.4Å; F3664-L3674 HydrophobicContact CE1-CD1 4.05Å; K3665-L3674 HydrophobicContact CB-CD2 3.97Å; K3665-L3674 HydrophobicContact CG-CD2 3.84Å; F3668-L3674 HydrophobicContact CB-CD1 4.31Å; F3668-L3674 HydrophobicContact CD1-CB 3.92Å; F3668-L3674 HydrophobicContact CD1-CD1 3.65Å; F3668-L3674 HydrophobicContact CD1-CG 4.43Å; F3668-L3674 HydrophobicContact CD2-CD1 4Å; F3668-L3674 HydrophobicContact CE1-CB 4.32Å; F3668-L3674 HydrophobicContact CE1-CD1 3.92Å; F3668-L3674 HydrophobicContact CE2-CD1 4.24Å; F3668-L3674 HydrophobicContact CG-CD1 3.72Å; F3668-L3674 HydrophobicContact CZ-CD1 4.21Å; E3669-L3674 HydrophobicContact CG-CB 4.09Å; L3672-L3674 PolarHBondContact O-N 3.3Å; L3674-W3676 PolarHBondContact O-N 2.85Å; L3674-L3677 HydrophobicContact CD1-CD1 3.52Å; L3674-L3677 HydrophobicContact CD1-CG 4.14Å; L3674-L3677 WeakPolarHBondContact O-CB 3.47Å; L3674-L3677 WeakPolarHBondContact O-CG 3.37Å; L3674-L3677 PolarHBondContact O-N 2.75Å
3675R87.3Confident89.8Confident92 Ų9227.6 Ų27.635%0.34713%0.133SC..G310 helixtrans-54.8-22.6177.567.3175-179147.5-1.7114.7Q2934 P3673 L3677 A3678Q2934-R3675 PolarHBondContact NE2-O 2.78Å; P3673-R3675 HydrophobicContact CB-CG 3.99Å; P3673-R3675 PolarHBondContact O-N 2.8Å; P3673-R3675 VanDerWaalsContact O-N 3.14Å; R3675-L3677 PolarHBondContact O-N 2.97Å; R3675-A3678 WeakPolarHBondContact O-CB 3.25Å; R3675-A3678 PolarHBondContact O-N 3.07Å
3676W90.7Very high89.6Confident13 Ų1326.7 Ų26.75%0.04913%0.134CC..G310 helixtrans-64.8-23.6177.6-77.1107.6000113.2L2930 L2948 F2949 C2952 A2953 L3672 P3673 L3674 A3678 L3679L2930-W3676 HydrophobicContact CD1-CH2 4.19Å; L2930-W3676 HydrophobicContact CD2-CE3 4.39Å; L2930-W3676 HydrophobicContact CD2-CH2 3.28Å; L2930-W3676 HydrophobicContact CD2-CZ2 4.28Å; L2930-W3676 HydrophobicContact CD2-CZ3 3.37Å; L2930-W3676 HydrophobicContact CG-CH2 4.39Å; L2948-W3676 HydrophobicContact CG-CZ3 4.48Å; F2949-W3676 HydrophobicContact CD2-CB 3.92Å; F2949-W3676 HydrophobicContact CD2-CE3 4.17Å; F2949-W3676 HydrophobicContact CD2-CG 4.45Å; F2949-W3676 HydrophobicContact CE2-CB 3.69Å; F2949-W3676 HydrophobicContact CE2-CG 4.41Å; C2952-W3676 HydrophobicContact CB-CH2 3.26Å; C2952-W3676 HydrophobicContact CB-CZ2 3.96Å; C2952-W3676 HydrophobicContact CB-CZ3 3.96Å; A2953-W3676 HydrophobicContact CB-CB 4.37Å; A2953-W3676 HydrophobicContact CB-CD2 3.52Å; A2953-W3676 HydrophobicContact CB-CE3 3.87Å; A2953-W3676 HydrophobicContact CB-CG 3.75Å; A2953-W3676 HydrophobicContact CB-CZ2 4.27Å; A2953-W3676 HydrophobicContact CB-CZ3 4.37Å; L3672-W3676 HydrophobicContact CD1-CB 4.11Å; L3672-W3676 HydrophobicContact CD1-CG 4.37Å; P3673-W3676 VanDerWaalsContact O-CD1 3.26Å; P3673-W3676 PolarHBondContact O-N 3.4Å; L3674-W3676 PolarHBondContact O-N 2.85Å; W3676-A3678 PolarHBondContact O-N 2.85Å; W3676-L3679 HydrophobicContact CE3-CD1 3.6Å; W3676-L3679 HydrophobicContact CE3-CG 4.43Å; W3676-L3679 HydrophobicContact CZ3-CD1 3.91Å; W3676-L3679 WeakPolarHBondContact O-CB 3.5Å; W3676-L3679 WeakPolarHBondContact O-CG 3.24Å; W3676-L3679 PolarHBondContact O-N 3.09Å
3677L90.8Very high89.2Confident0 Ų027.1 Ų27.10%013%0.133CC..G310 helixtrans-67.4-20.1177.2-59.4-168.9000112.9L3376 L3394 F3668 L3674 R3675 L3679 F3680 L3685L3376-L3677 HydrophobicContact CD1-CD2 3.74Å; L3394-L3677 HydrophobicContact CB-CD1 4.06Å; F3668-L3677 HydrophobicContact CE1-CG 4.48Å; F3668-L3677 HydrophobicContact CE2-CD1 3.95Å; F3668-L3677 HydrophobicContact CE2-CD2 4.32Å; F3668-L3677 HydrophobicContact CE2-CG 4.4Å; F3668-L3677 HydrophobicContact CZ-CD1 3.92Å; F3668-L3677 HydrophobicContact CZ-CD2 3.76Å; F3668-L3677 HydrophobicContact CZ-CG 3.87Å; L3674-L3677 HydrophobicContact CD1-CD1 3.52Å; L3674-L3677 HydrophobicContact CD1-CG 4.14Å; L3674-L3677 WeakPolarHBondContact O-CB 3.47Å; L3674-L3677 WeakPolarHBondContact O-CG 3.37Å; L3674-L3677 PolarHBondContact O-N 2.75Å; R3675-L3677 PolarHBondContact O-N 2.97Å; L3677-L3679 PolarHBondContact O-N 3.22Å; L3677-L3679 VanDerWaalsContact O-N 3.12Å; L3677-F3680 PolarHBondContact O-N 3.46Å; L3677-L3685 HydrophobicContact CB-CD2 4.41Å; L3677-L3685 HydrophobicContact CD1-CD1 4.41Å; L3677-L3685 HydrophobicContact CD1-CD2 4.21Å; L3677-L3685 HydrophobicContact CD2-CD1 3.79Å; L3677-L3685 HydrophobicContact CG-CD1 4.48Å
3678A85.8Confident88.9Confident2 Ų228.6 Ų28.62%0.01714%0.141CC..G310 helixtrans-67.3-7.517400000114.3Q2934 S3395 R3675 W3676 F3680Q2934-A3678 HydrophobicContact CB-CB 4.12Å; Q2934-A3678 HydrophobicContact CG-CB 4.24Å; S3395-A3678 WeakPolarHBondContact O-CA 3.33Å; S3395-A3678 WeakPolarHBondContact O-CB 3.25Å; R3675-A3678 WeakPolarHBondContact O-CB 3.25Å; R3675-A3678 PolarHBondContact O-N 3.07Å; W3676-A3678 PolarHBondContact O-N 2.85Å; A3678-F3680 PolarHBondContact O-N 3.28Å
3679L87.8Confident88.7Confident0 Ų028.7 Ų28.70%014%0.141CC..G310 helixtrans-69.4-16.1167.8-67.5-178000112.9S2933 Q2934 R2945 L2948 F2949 W3676 L3677S2933-L3679 WeakPolarHBondContact OG-CD2 3.31Å; Q2934-L3679 HydrophobicContact CG-CD2 3.81Å; Q2934-L3679 HydrophobicContact CG-CG 4.31Å; R2945-L3679 VanDerWaalsContact CD-O 3.26Å; R2945-L3679 WeakPolarHBondContact CD-O 3.42Å; R2945-L3679 PolarHBondContact NH1-O 2.81Å; L2948-L3679 HydrophobicContact CD2-CD1 4.23Å; L2948-L3679 HydrophobicContact CD2-CD2 4.01Å; L2948-L3679 HydrophobicContact CG-CD1 4.31Å; F2949-L3679 HydrophobicContact CB-CD1 3.9Å; F2949-L3679 HydrophobicContact CD2-CD1 4.4Å; W3676-L3679 HydrophobicContact CE3-CD1 3.6Å; W3676-L3679 HydrophobicContact CE3-CG 4.43Å; W3676-L3679 HydrophobicContact CZ3-CD1 3.91Å; W3676-L3679 WeakPolarHBondContact O-CB 3.5Å; W3676-L3679 WeakPolarHBondContact O-CG 3.24Å; W3676-L3679 PolarHBondContact O-N 3.09Å; L3677-L3679 PolarHBondContact O-N 3.22Å; L3677-L3679 VanDerWaalsContact O-N 3.12Å
3680F90.2Very high88.2Confident2 Ų225.5 Ų25.51%0.00913%0.128CC..SBendtrans-120.1154.8-172.5-56.8-72000112F2942 F2949 S3395 L3677 A3678 E3684 L3685 L3688F2942-F3680 HydrophobicContact CD2-CD1 4.04Å; F2942-F3680 HydrophobicContact CD2-CE1 4.22Å; F2942-F3680 AromaticContact CE2-CD1 3.79Å; F2942-F3680 HydrophobicContact CE2-CD1 3.79Å; F2942-F3680 AromaticContact CE2-CE1 3.84Å; F2942-F3680 HydrophobicContact CE2-CE1 3.84Å; F2949-F3680 HydrophobicContact CB-CE2 4.08Å; F2949-F3680 HydrophobicContact CB-CZ 3.77Å; F2949-F3680 AromaticContact CD1-CE2 3.94Å; F2949-F3680 HydrophobicContact CD1-CE2 3.94Å; F2949-F3680 AromaticContact CD1-CZ 3.96Å; F2949-F3680 HydrophobicContact CD1-CZ 3.96Å; F2949-F3680 HydrophobicContact CD2-CE2 4.08Å; F2949-F3680 HydrophobicContact CE1-CE2 4.39Å; F2949-F3680 AromaticContact CG-CE2 3.77Å; F2949-F3680 HydrophobicContact CG-CE2 3.77Å; F2949-F3680 AromaticContact CG-CZ 3.88Å; F2949-F3680 HydrophobicContact CG-CZ 3.88Å; S3395-F3680 WeakPolarHBondContact CB-O 3.28Å; L3677-F3680 PolarHBondContact O-N 3.46Å; A3678-F3680 PolarHBondContact O-N 3.28Å; F3680-E3684 WeakPolarHBondContact CA-OE2 3.4Å; F3680-E3684 HydrophobicContact CB-CB 4.11Å; F3680-E3684 HydrophobicContact CD1-CB 4.49Å; F3680-L3685 HydrophobicContact CB-CB 4.24Å; F3680-L3688 HydrophobicContact CD2-CD2 4.23Å; F3680-L3688 HydrophobicContact CE2-CD2 3.93Å; F3680-L3688 HydrophobicContact CZ-CD1 4.35Å; F3680-L3688 HydrophobicContact CZ-CD2 4.31Å
3681T85.8Confident87.5Confident15 Ų1520 Ų209%0.09211%0.107CC..  trans-74.5171.1165.271.50000110.6E2872 M2898 T3683 E3684 L3685E2872-T3681 WeakPolarHBondContact OE1-CB 3.31Å; E2872-T3681 PolarHBondContact OE1-OG1 3.37Å; M2898-T3681 HydrophobicContact CE-CG2 4.44Å; T3681-T3683 PolarHBondContact OG1-OG1 3.33Å; T3681-E3684 PolarHBondContact N-OE2 2.83Å; T3681-E3684 WeakPolarHBondContact OG1-CB 3.29Å; T3681-E3684 VanDerWaalsContact OG1-CG 3.25Å; T3681-E3684 WeakPolarHBondContact OG1-CG 3.48Å; T3681-E3684 PolarHBondContact OG1-N 3.18Å; T3681-L3685 WeakPolarHBondContact O-CB 3.32Å; T3681-L3685 PolarHBondContact O-N 3.34Å
3682A85.8Confident86.3Confident9 Ų922.8 Ų22.87%0.07412%0.122CC..Hα-helixtrans-62.5-44178.800000111.4L3391 K3392 L3685 G3686L3391-A3682 HydrophobicContact CB-CB 3.93Å; K3392-A3682 HydrophobicContact CB-CB 4.3Å; A3682-L3685 PolarHBondContact O-N 3.02Å; A3682-G3686 PolarHBondContact O-N 2.94Å
3683T85.5Confident85Confident54 Ų5425.3 Ų25.333%0.33114%0.14SC..Hα-helixtrans-64.4-48.4176.762.90000112.2E2872 T3681 L3685 G3686 E3687E2872-T3683 VanDerWaalsContact CD-OG1 3.25Å; E2872-T3683 HydrophobicContact CG-CG2 3.99Å; E2872-T3683 WeakPolarHBondContact OE1-CB 3.27Å; E2872-T3683 WeakPolarHBondContact OE1-CG2 3.36Å; E2872-T3683 PolarHBondContact OE1-OG1 3.02Å; E2872-T3683 VanDerWaalsContact OE2-CG2 3.27Å; E2872-T3683 WeakPolarHBondContact OE2-CG2 3.29Å; E2872-T3683 PolarHBondContact OE2-N 3.3Å; T3681-T3683 PolarHBondContact OG1-OG1 3.33Å; T3683-L3685 VanDerWaalsContact C-N 3.27Å; T3683-L3685 PolarHBondContact O-N 3.19Å; T3683-G3686 WeakPolarHBondContact O-CA 3.48Å; T3683-G3686 PolarHBondContact O-N 3.18Å; T3683-E3687 PolarHBondContact O-N 3.26Å
3684E89.1Confident84.1Confident20 Ų2026.9 Ų26.99%0.09315%0.148CC..Hα-helixtrans-59.3-39.5178.6-72.2173.5159.900111.7F2942 R2945 F3680 T3681 E3687 L3688F2942-E3684 HydrophobicContact CD2-CB 4.08Å; F2942-E3684 HydrophobicContact CD2-CG 3.78Å; F2942-E3684 HydrophobicContact CE2-CB 3.99Å; F2942-E3684 HydrophobicContact CE2-CG 4.15Å; R2945-E3684 IonicContact CZ-OE1 3.28Å; R2945-E3684 IonicContact CZ-OE2 3.61Å; R2945-E3684 IonicContact NH1-OE1 3.43Å; R2945-E3684 IonicContact NH1-OE2 2.99Å; R2945-E3684 PolarHBondContact NH1-OE2 3.41Å; R2945-E3684 IonicContact NH2-OE1 2.88Å; R2945-E3684 PolarHBondContact NH2-OE1 3.28Å; R2945-E3684 IonicContact NH2-OE2 3.15Å; R2945-E3684 PolarHBondContact NH2-OE2 3.16Å; F3680-E3684 WeakPolarHBondContact CA-OE2 3.4Å; F3680-E3684 HydrophobicContact CB-CB 4.11Å; F3680-E3684 HydrophobicContact CD1-CB 4.49Å; T3681-E3684 PolarHBondContact N-OE2 2.83Å; T3681-E3684 WeakPolarHBondContact OG1-CB 3.29Å; T3681-E3684 VanDerWaalsContact OG1-CG 3.25Å; T3681-E3684 WeakPolarHBondContact OG1-CG 3.48Å; T3681-E3684 PolarHBondContact OG1-N 3.18Å; E3684-E3687 PolarHBondContact O-N 3.33Å; E3684-L3688 VanDerWaalsContact O-CB 3.31Å; E3684-L3688 WeakPolarHBondContact O-CB 3.44Å; E3684-L3688 PolarHBondContact O-N 2.84Å
3685L90.2Very high83.4Confident0 Ų027 Ų270%015%0.149CC..Hα-helixtrans-65.9-40.5175.7-178.660.7000111.4L3391 L3394 L3677 F3680 T3681 A3682 T3683 L3688 I3689L3391-L3685 HydrophobicContact CD2-CB 4.41Å; L3391-L3685 HydrophobicContact CD2-CD2 4.14Å; L3391-L3685 HydrophobicContact CD2-CG 4Å; L3394-L3685 HydrophobicContact CB-CD2 3.91Å; L3677-L3685 HydrophobicContact CB-CD2 4.41Å; L3677-L3685 HydrophobicContact CD1-CD1 4.41Å; L3677-L3685 HydrophobicContact CD1-CD2 4.21Å; L3677-L3685 HydrophobicContact CD2-CD1 3.79Å; L3677-L3685 HydrophobicContact CG-CD1 4.48Å; F3680-L3685 HydrophobicContact CB-CB 4.24Å; T3681-L3685 WeakPolarHBondContact O-CB 3.32Å; T3681-L3685 PolarHBondContact O-N 3.34Å; A3682-L3685 PolarHBondContact O-N 3.02Å; T3683-L3685 VanDerWaalsContact C-N 3.27Å; T3683-L3685 PolarHBondContact O-N 3.19Å; L3685-L3688 HydrophobicContact CD1-CD2 4.3Å; L3685-L3688 WeakPolarHBondContact O-CB 3.47Å; L3685-L3688 PolarHBondContact O-N 3.25Å; L3685-I3689 HydrophobicContact CD1-CD1 3.85Å; L3685-I3689 HydrophobicContact CD1-CG1 4.21Å; L3685-I3689 HydrophobicContact CG-CD1 3.88Å; L3685-I3689 VanDerWaalsContact O-CG1 3.29Å; L3685-I3689 WeakPolarHBondContact O-CG1 3.38Å; L3685-I3689 PolarHBondContact O-N 3.26Å
3686G88.5Confident83.1Confident15 Ų1528.1 Ų28.116%0.15516%0.158CC..Hα-helixtrans-58.5-48.2173.500000112.2A3682 T3683 L3688 I3689 A3690A3682-G3686 PolarHBondContact O-N 2.94Å; T3683-G3686 WeakPolarHBondContact O-CA 3.48Å; T3683-G3686 PolarHBondContact O-N 3.18Å; G3686-L3688 VanDerWaalsContact C-N 3.33Å; G3686-L3688 PolarHBondContact O-N 2.89Å; G3686-I3689 PolarHBondContact O-N 3.25Å; G3686-A3690 PolarHBondContact O-N 3.11Å
3687E85Confident82.9Confident92 Ų9227.7 Ų27.743%0.4316%0.157SC..Hα-helixtrans-64.1-35.5176.1-68.6-175.9-176.500112.8T3683 E3684 G3691T3683-E3687 PolarHBondContact O-N 3.26Å; E3684-E3687 PolarHBondContact O-N 3.33Å; E3687-G3691 WeakPolarHBondContact O-CA 3.5Å; E3687-G3691 PolarHBondContact O-N 2.98Å
3688L87.1Confident82.9Confident31 Ų3130.1 Ų30.116%0.16217%0.171CC..Hα-helixtrans-65.2-40.5176.8-166.290.2000111.4F2949 L3376 F3680 E3684 L3685 G3686F2949-L3688 HydrophobicContact CE1-CD2 4.17Å; L3376-L3688 HydrophobicContact CD1-CD2 4.22Å; L3376-L3688 HydrophobicContact CD2-CB 4.49Å; L3376-L3688 HydrophobicContact CD2-CD2 3.32Å; L3376-L3688 HydrophobicContact CD2-CG 3.68Å; L3376-L3688 HydrophobicContact CG-CD2 4.35Å; F3680-L3688 HydrophobicContact CD2-CD2 4.23Å; F3680-L3688 HydrophobicContact CE2-CD2 3.93Å; F3680-L3688 HydrophobicContact CZ-CD1 4.35Å; F3680-L3688 HydrophobicContact CZ-CD2 4.31Å; E3684-L3688 VanDerWaalsContact O-CB 3.31Å; E3684-L3688 WeakPolarHBondContact O-CB 3.44Å; E3684-L3688 PolarHBondContact O-N 2.84Å; L3685-L3688 HydrophobicContact CD1-CD2 4.3Å; L3685-L3688 WeakPolarHBondContact O-CB 3.47Å; L3685-L3688 PolarHBondContact O-N 3.25Å; G3686-L3688 VanDerWaalsContact C-N 3.33Å; G3686-L3688 PolarHBondContact O-N 2.89Å
3689I89Confident83.2Confident2 Ų233.7 Ų33.71%0.0118%0.184CC..Hα-helixtrans-81.1-53.9-176.9-66.1170.8000111.5V3372 L3376 R3381 I3382 L3386 L3391 L3685 G3686V3372-I3689 HydrophobicContact CG1-CD1 3.82Å; V3372-I3689 HydrophobicContact CG1-CG1 4.05Å; V3372-I3689 HydrophobicContact CG1-CG2 4.48Å; L3376-I3689 HydrophobicContact CD2-CG1 4.18Å; R3381-I3689 WeakPolarHBondContact CA-O 3.4Å; I3382-I3689 HydrophobicContact CG2-CG2 3.61Å; I3382-I3689 PolarHBondContact N-O 2.64Å; L3386-I3689 HydrophobicContact CD1-CD1 4.19Å; L3391-I3689 HydrophobicContact CD2-CD1 4.23Å; L3685-I3689 HydrophobicContact CD1-CD1 3.85Å; L3685-I3689 HydrophobicContact CD1-CG1 4.21Å; L3685-I3689 HydrophobicContact CG-CD1 3.88Å; L3685-I3689 VanDerWaalsContact O-CG1 3.29Å; L3685-I3689 WeakPolarHBondContact O-CG1 3.38Å; L3685-I3689 PolarHBondContact O-N 3.26Å; G3686-I3689 PolarHBondContact O-N 3.25Å
3690A83Confident83.4Confident9 Ų939.6 Ų39.67%0.07421%0.212CC..Hα-helixtrans-98.2-19.8-17100000113.7I3382 G3686 S3746I3382-A3690 WeakPolarHBondContact O-CA 3.49Å; G3686-A3690 PolarHBondContact O-N 3.11Å; A3690-S3746 WeakPolarHBondContact O-CB 3.43Å; A3690-S3746 PolarHBondContact O-OG 3.24Å
3691G76.4Confident83.5Confident1 Ų142 Ų421%0.0123%0.225CC..  trans79.5-164-167.600000112.1E3687 S3693 L3747E3687-G3691 WeakPolarHBondContact O-CA 3.5Å; E3687-G3691 PolarHBondContact O-N 2.98Å; G3691-S3693 PolarHBondContact O-N 3.36Å; G3691-L3747 WeakPolarHBondContact CA-O 3.33Å
3692D67.3Low83.8Confident63 Ų6341.4 Ų41.434%0.33722%0.221SC..BIsolated β-bridgetrans-70.4117.1175.6-164.9-13.1000109.8V3694 L3747D3692-V3694 VanDerWaalsContact C-N 3.28Å; D3692-V3694 PolarHBondContact O-N 3.46Å; D3692-V3694 PolarHBondContact OD1-N 3.43Å; D3692-L3747 PolarHBondContact N-O 2.66Å
3693S61.6Low84.1Confident58 Ų5843 Ų4341%0.40623%0.229SC..SBendtrans-69.4-30.6-175.9-64.70000111.5G3691G3691-S3693 PolarHBondContact O-N 3.36Å
3694V69Low84.4Confident86 Ų8643.1 Ų43.152%0.52124%0.235SC..SBendtrans-107.799.4179.3-177.40000108.5D3692 H3696D3692-V3694 VanDerWaalsContact C-N 3.28Å; D3692-V3694 PolarHBondContact O-N 3.46Å; D3692-V3694 PolarHBondContact OD1-N 3.43Å; V3694-H3696 PolarHBondContact O-N 3.29Å
3695V74.9Confident84.5Confident2 Ų245 Ų451%0.01224%0.242CC..  trans-69.395.5179.8179.70000110W3697 R3734 R3735 L3738 L3747V3695-W3697 HydrophobicContact CG1-CD2 4.46Å; V3695-W3697 HydrophobicContact CG1-CE3 3.5Å; V3695-W3697 VanDerWaalsContact CG1-CE3 3.5Å; V3695-W3697 HydrophobicContact CG1-CH2 3.6Å; V3695-W3697 HydrophobicContact CG1-CZ3 3Å; V3695-R3734 HydrophobicContact CB-CB 4.36Å; V3695-R3734 HydrophobicContact CG1-CB 3.97Å; V3695-R3734 WeakPolarHBondContact O-CD 3.18Å; V3695-R3734 PolarHBondContact O-NH1 2.85Å; V3695-R3734 VanDerWaalsContact O-NH1 3.11Å; V3695-R3735 HydrophobicContact CB-CG 4.41Å; V3695-R3735 HydrophobicContact CG2-CG 3.84Å; V3695-L3738 HydrophobicContact CB-CD1 4.37Å; V3695-L3738 HydrophobicContact CG1-CD1 3.55Å; V3695-L3738 HydrophobicContact CG1-CG 4.47Å; V3695-L3738 HydrophobicContact CG2-CD1 3.85Å; V3695-L3747 HydrophobicContact CG1-CD1 4.05Å; V3695-L3747 HydrophobicContact CG1-CG 4.41Å
3696H80.9Confident84.6Confident116 Ų11645.2 Ų45.254%0.53724%0.242SC..  trans-110.9131.8176.4-168.6-78.8000111.9V3694V3694-H3696 PolarHBondContact O-N 3.29Å
3697W87.9Confident84.8Confident5 Ų546.5 Ų46.52%0.01925%0.247CC..  trans-143.2143.9166.448.368.6000110.3V3695 D3701 L3702 L3726 R3734 F3737 L3738 L3747 L3752V3695-W3697 HydrophobicContact CG1-CD2 4.46Å; V3695-W3697 HydrophobicContact CG1-CE3 3.5Å; V3695-W3697 VanDerWaalsContact CG1-CE3 3.5Å; V3695-W3697 HydrophobicContact CG1-CH2 3.6Å; V3695-W3697 HydrophobicContact CG1-CZ3 3Å; W3697-D3701 HydrophobicContact CB-CB 4.32Å; W3697-L3702 HydrophobicContact CB-CG 4.34Å; W3697-L3702 HydrophobicContact CD2-CD2 4.37Å; W3697-L3702 HydrophobicContact CG-CD1 4.34Å; W3697-L3702 HydrophobicContact CG-CD2 4.06Å; W3697-L3702 HydrophobicContact CG-CG 4.07Å; W3697-L3726 PolarHBondContact NE1-O 2.76Å; W3697-R3734 HydrophobicContact CH2-CB 3.55Å; W3697-R3734 HydrophobicContact CH2-CG 3.9Å; W3697-R3734 HydrophobicContact CZ2-CB 3.56Å; W3697-R3734 HydrophobicContact CZ2-CG 3.35Å; W3697-R3734 HydrophobicContact CZ3-CB 4.41Å; W3697-F3737 HydrophobicContact CH2-CD1 4.33Å; W3697-L3738 HydrophobicContact CH2-CD1 4.29Å; W3697-L3738 HydrophobicContact CH2-CD2 4.19Å; W3697-L3738 HydrophobicContact CH2-CG 3.91Å; W3697-L3738 HydrophobicContact CZ3-CD1 3.88Å; W3697-L3738 HydrophobicContact CZ3-CD2 3.88Å; W3697-L3738 HydrophobicContact CZ3-CG 3.84Å; W3697-L3747 HydrophobicContact CE3-CD1 3.93Å; W3697-L3747 HydrophobicContact CZ3-CD1 4.11Å; W3697-L3752 HydrophobicContact CB-CD1 3.52Å; W3697-L3752 HydrophobicContact CB-CG 4.42Å; W3697-L3752 HydrophobicContact CD2-CD1 4.18Å; W3697-L3752 HydrophobicContact CE3-CD1 4.04Å; W3697-L3752 HydrophobicContact CE3-CD2 4.38Å; W3697-L3752 HydrophobicContact CE3-CG 4.22Å; W3697-L3752 HydrophobicContact CG-CD1 4.01Å
3698T89.7Confident85.2Confident50 Ų5043.1 Ų43.131%0.30723%0.234SC..  trans-90.2168.4170.362.80000111E3700 D3701 L3702T3698-E3700 WeakPolarHBondContact CB-OE2 3.47Å; T3698-E3700 PolarHBondContact O-N 3.38Å; T3698-D3701 WeakPolarHBondContact CB-OD2 3.49Å; T3698-D3701 PolarHBondContact N-OD2 3.4Å; T3698-D3701 PolarHBondContact O-N 2.97Å; T3698-D3701 PolarHBondContact OG1-N 3.33Å; T3698-D3701 VanDerWaalsContact OG1-N 3.07Å; T3698-D3701 PolarHBondContact OG1-OD2 3.01Å; T3698-L3702 WeakPolarHBondContact O-CG 3.47Å; T3698-L3702 PolarHBondContact O-N 2.7Å; T3698-L3702 VanDerWaalsContact O-N 3.07Å
3699R92.8Very high85.3Confident77 Ų7742.9 Ų42.929%0.29123%0.234SC..Hα-helixtrans-57.8-39.1171-179.4179-177.573.7-1.6110.9L3702 L3703 I3723 N3724 C3727R3699-L3702 PolarHBondContact O-N 2.82Å; R3699-L3703 HydrophobicContact CG-CD1 4.05Å; R3699-L3703 WeakPolarHBondContact O-CB 3.43Å; R3699-L3703 WeakPolarHBondContact O-CG 3.15Å; R3699-L3703 PolarHBondContact O-N 2.95Å; R3699-I3723 HydrophobicContact CG-CG2 3.98Å; R3699-N3724 PolarHBondContact NH1-OD1 3.45Å; R3699-C3727 VanDerWaalsContact CA-SG 3.57Å
3700E92.3Very high85.2Confident124 Ų12449 Ų4958%0.57927%0.266SS*.Hα-helixtrans-64.3-44.3179.5-66.563.1-137.400110.6T3698 L3703 A3704T3698-E3700 WeakPolarHBondContact CB-OE2 3.47Å; T3698-E3700 PolarHBondContact O-N 3.38Å; E3700-L3703 PolarHBondContact O-N 3.46Å; E3700-A3704 WeakPolarHBondContact O-CB 2.89Å; E3700-A3704 PolarHBondContact O-N 3.49Å
3701D90.8Very high85.3Confident54 Ų5451 Ų5129%0.28929%0.288SS..Hα-helixtrans-61.5-45.7176.1-63-42.1000111.6W3697 T3698 L3703 A3704 Y3705 L3752W3697-D3701 HydrophobicContact CB-CB 4.32Å; T3698-D3701 WeakPolarHBondContact CB-OD2 3.49Å; T3698-D3701 PolarHBondContact N-OD2 3.4Å; T3698-D3701 PolarHBondContact O-N 2.97Å; T3698-D3701 PolarHBondContact OG1-N 3.33Å; T3698-D3701 VanDerWaalsContact OG1-N 3.07Å; T3698-D3701 PolarHBondContact OG1-OD2 3.01Å; D3701-L3703 PolarHBondContact O-N 3.41Å; D3701-A3704 PolarHBondContact O-N 3.43Å; D3701-Y3705 HydrophobicContact CB-CD2 4.28Å; D3701-Y3705 WeakPolarHBondContact O-CB 3.47Å; D3701-Y3705 VanDerWaalsContact O-CD2 3.27Å; D3701-Y3705 WeakPolarHBondContact O-CD2 3.33Å; D3701-Y3705 PolarHBondContact O-N 2.89Å; D3701-L3752 HydrophobicContact CB-CD1 4.39Å
3702L92.7Very high86Confident2 Ų251.5 Ų51.51%0.0129%0.29CS..Hα-helixtrans-62-44.8178.1-71.6170.7000111W3697 T3698 R3699 A3704 T3706 I3723 L3726 L3752W3697-L3702 HydrophobicContact CB-CG 4.34Å; W3697-L3702 HydrophobicContact CD2-CD2 4.37Å; W3697-L3702 HydrophobicContact CG-CD1 4.34Å; W3697-L3702 HydrophobicContact CG-CD2 4.06Å; W3697-L3702 HydrophobicContact CG-CG 4.07Å; T3698-L3702 WeakPolarHBondContact O-CG 3.47Å; T3698-L3702 PolarHBondContact O-N 2.7Å; T3698-L3702 VanDerWaalsContact O-N 3.07Å; R3699-L3702 PolarHBondContact O-N 2.82Å; L3702-A3704 VanDerWaalsContact C-N 3.32Å; L3702-A3704 PolarHBondContact O-N 2.97Å; L3702-T3706 HydrophobicContact CD2-CG2 4.13Å; L3702-T3706 VanDerWaalsContact O-CB 3.26Å; L3702-T3706 WeakPolarHBondContact O-CB 3.22Å; L3702-T3706 WeakPolarHBondContact O-CG2 3.47Å; L3702-T3706 PolarHBondContact O-N 3.43Å; L3702-T3706 PolarHBondContact O-OG1 3.4Å; L3702-I3723 HydrophobicContact CB-CD1 3.72Å; L3702-I3723 HydrophobicContact CB-CG2 4.2Å; L3702-I3723 HydrophobicContact CD1-CG2 4.29Å; L3702-L3726 HydrophobicContact CD1-CB 3.72Å; L3702-L3726 HydrophobicContact CD2-CD1 4.1Å; L3702-L3752 HydrophobicContact CD2-CD1 3.71Å; L3702-L3752 HydrophobicContact CG-CD1 4.31Å
3703L92.4Very high87.2Confident43 Ų4351.9 Ų51.923%0.22530%0.295CS..Hα-helixtrans-69.3-27.8177.8-71.8172.4000113.5R3699 E3700 D3701 K3714 Y3719 I3723R3699-L3703 HydrophobicContact CG-CD1 4.05Å; R3699-L3703 WeakPolarHBondContact O-CB 3.43Å; R3699-L3703 WeakPolarHBondContact O-CG 3.15Å; R3699-L3703 PolarHBondContact O-N 2.95Å; E3700-L3703 PolarHBondContact O-N 3.46Å; D3701-L3703 PolarHBondContact O-N 3.41Å; L3703-K3714 PolarHBondContact O-NZ 3.06Å; L3703-Y3719 HydrophobicContact CD2-CE1 3.98Å; L3703-I3723 HydrophobicContact CD2-CD1 4.34Å; L3703-I3723 HydrophobicContact CD2-CG1 4.04Å; L3703-I3723 HydrophobicContact CD2-CG2 4.36Å; L3703-I3723 HydrophobicContact CG-CG2 4.25Å
3704A91.5Very high88.6Confident56 Ų5653.6 Ų53.646%0.46330%0.295SS..Hα-helixtrans-78.9-40.1178.300000112.2E3700 D3701 L3702E3700-A3704 WeakPolarHBondContact O-CB 2.89Å; E3700-A3704 PolarHBondContact O-N 3.49Å; D3701-A3704 PolarHBondContact O-N 3.43Å; L3702-A3704 VanDerWaalsContact C-N 3.32Å; L3702-A3704 PolarHBondContact O-N 2.97Å
3705Y91.4Very high89.7Confident60 Ų6056.8 Ų56.824%0.23530%0.304CS..Hα-helixtrans-115-5.5-166.1-55.6-52.8000115.4D3701 L3752 K3753D3701-Y3705 HydrophobicContact CB-CD2 4.28Å; D3701-Y3705 WeakPolarHBondContact O-CB 3.47Å; D3701-Y3705 VanDerWaalsContact O-CD2 3.27Å; D3701-Y3705 WeakPolarHBondContact O-CD2 3.33Å; D3701-Y3705 PolarHBondContact O-N 2.89Å; Y3705-L3752 HydrophobicContact CD2-CB 4.21Å; Y3705-K3753 HydrophobicContact CD1-CB 4.49Å; Y3705-K3753 HydrophobicContact CD2-CB 4.21Å; Y3705-K3753 HydrophobicContact CE1-CB 4.07Å; Y3705-K3753 HydrophobicContact CE1-CG 3.89Å; Y3705-K3753 HydrophobicContact CE2-CB 3.77Å; Y3705-K3753 HydrophobicContact CE2-CG 4.32Å
3706T92.7Very high90.5Very high3 Ų357.6 Ų57.62%0.01831%0.31CS..  trans-96.7131.2166.770.80000110.9L3702 P3708 Y3719 L3759L3702-T3706 HydrophobicContact CD2-CG2 4.13Å; L3702-T3706 VanDerWaalsContact O-CB 3.26Å; L3702-T3706 WeakPolarHBondContact O-CB 3.22Å; L3702-T3706 WeakPolarHBondContact O-CG2 3.47Å; L3702-T3706 PolarHBondContact O-N 3.43Å; L3702-T3706 PolarHBondContact O-OG1 3.4Å; T3706-P3708 WeakPolarHBondContact O-CD 3.35Å; T3706-Y3719 PolarHBondContact O-OH 3.18Å; T3706-Y3719 PolarHBondContact OG1-OH 3.14Å; T3706-L3759 WeakPolarHBondContact CA-O 3.31Å; T3706-L3759 HydrophobicContact CG2-CB 4.38Å; T3706-L3759 HydrophobicContact CG2-CD2 3.93Å; T3706-L3759 HydrophobicContact CG2-CG 4.46Å
3707V93Very high91.1Very high42 Ų4256.6 Ų56.626%0.25531%0.314SS..EExtended strand (participates in β ladder)trans-107.2106.4-172.3-1760000109.9R3758 L3759 R3760 I3761V3707-R3758 HydrophobicContact CG2-CB 4.28Å; V3707-L3759 PolarHBondContact N-O 3.36Å; V3707-R3760 HydrophobicContact CB-CG 4.28Å; V3707-R3760 CarbonylContact O-C 3.55Å; V3707-R3760 WeakPolarHBondContact O-CA 3.23Å; V3707-I3761 PolarHBondContact O-N 3.04Å
3708P93.1Very high91.3Very high22 Ų2256.7 Ų56.714%0.14332%0.315CS..EExtended strand (participates in β ladder)trans-65138.4169.328.6-33000109.4T3706 F3712 K3714 Y3719T3706-P3708 WeakPolarHBondContact O-CD 3.35Å; P3708-F3712 HydrophobicContact CB-CB 3.99Å; P3708-K3714 HydrophobicContact CG-CG 3.78Å; P3708-Y3719 HydrophobicContact CB-CD2 4Å; P3708-Y3719 HydrophobicContact CB-CE2 4.01Å; P3708-Y3719 HydrophobicContact CB-CG 4.43Å; P3708-Y3719 HydrophobicContact CG-CE2 4.27Å
3709S89.6Confident91.6Very high25 Ų2554.3 Ų54.318%0.17530%0.3CS..EExtended strand (participates in β ladder)trans-149163.1-175.8-690000109.9G3711 F3712 I3761 V3762S3709-G3711 PolarHBondContact O-N 2.86Å; S3709-F3712 PolarHBondContact O-N 2.9Å; S3709-I3761 PolarHBondContact N-O 3.27Å; S3709-V3762 WeakPolarHBondContact O-CA 3.49Å
3710L85.4Confident91.7Very high131 Ų13153.2 Ų53.269%0.68630%0.298SS*.THydrogen-bonded Turntrans43.962.6170.2-64.3174.1000113.9V3762 R3763L3710-V3762 HydrophobicContact CB-CB 4.4Å; L3710-V3762 HydrophobicContact CB-CG1 3.72Å; L3710-V3762 HydrophobicContact CB-CG2 4.2Å; L3710-V3762 HydrophobicContact CD1-CG1 3.92Å; L3710-V3762 HydrophobicContact CD1-CG2 4.04Å; L3710-V3762 HydrophobicContact CG-CG1 4.46Å; L3710-V3762 HydrophobicContact CG-CG2 4.49Å; L3710-R3763 VanDerWaalsContact O-CB 3.3Å; L3710-R3763 WeakPolarHBondContact O-CB 3.36Å; L3710-R3763 PolarHBondContact O-N 3.39Å; L3710-R3763 VanDerWaalsContact O-N 3.12Å
3711G86Confident91.8Very high52 Ų5248.4 Ų48.454%0.53628%0.276SS..THydrogen-bonded Turntrans105.8-14.1174.300000115.7S3709S3709-G3711 PolarHBondContact O-N 2.86Å
3712F91.6Very high92Very high10 Ų1045.9 Ų45.94%0.04426%0.263CS..  trans-104.6148.6168.7-68.3-55.2000112.3P3708 S3709 T3718 I3761 V3762 R3763 L3784 E3786P3708-F3712 HydrophobicContact CB-CB 3.99Å; S3709-F3712 PolarHBondContact O-N 2.9Å; F3712-T3718 HydrophobicContact CE1-CG2 4.29Å; F3712-T3718 HydrophobicContact CZ-CG2 4.12Å; F3712-I3761 HydrophobicContact CD2-CG2 3.91Å; F3712-I3761 HydrophobicContact CE2-CG2 4.26Å; F3712-V3762 WeakPolarHBondContact CE2-O 3.18Å; F3712-R3763 HydrophobicContact CD2-CB 4.07Å; F3712-R3763 HydrophobicContact CE2-CB 3.8Å; F3712-R3763 HydrophobicContact CE2-CG 4.38Å; F3712-R3763 HydrophobicContact CZ-CB 4.06Å; F3712-R3763 HydrophobicContact CZ-CG 4.15Å; F3712-L3784 HydrophobicContact CE2-CB 4.06Å; F3712-L3784 HydrophobicContact CZ-CB 4.39Å; F3712-E3786 HydrophobicContact CE1-CG 4.38Å
3713T92.6Very high92.1Very high71 Ų7145.8 Ų45.844%0.43626%0.262SS..  trans-122.2169.6169.365.60000108.9Q3715 S3716T3713-Q3715 PolarHBondContact O-N 3.43Å; T3713-Q3715 VanDerWaalsContact O-N 3.12Å; T3713-Q3715 PolarHBondContact OG1-N 2.86Å; T3713-S3716 PolarHBondContact N-OG 3.15Å; T3713-S3716 WeakPolarHBondContact O-CB 3.42Å; T3713-S3716 PolarHBondContact O-N 3.45Å; T3713-S3716 VanDerWaalsContact O-N 3.11Å; T3713-S3716 PolarHBondContact O-OG 2.9Å; T3713-S3716 PolarHBondContact OG1-N 3.35Å; T3713-S3716 PolarHBondContact OG1-OG 2.81Å; T3713-S3716 VanDerWaalsContact OG1-OG 3.11Å
3714K91.1Very high92.2Very high94 Ų9446 Ų4641%0.40926%0.263SS..THydrogen-bonded Turntrans-60.7-22.1174.4-67.4-165.4-179.7-158.10112.4L3703 P3708 Y3719 Q3720L3703-K3714 PolarHBondContact O-NZ 3.06Å; P3708-K3714 HydrophobicContact CG-CG 3.78Å; K3714-Y3719 HydrophobicContact CB-CE1 4.36Å; K3714-Y3719 HydrophobicContact CG-CE1 4.36Å; K3714-Q3720 PolarHBondContact O-NE2 3.03Å
3715Q90.7Very high92.4Very high153 Ų15343.6 Ų43.672%0.71524%0.243SC*.THydrogen-bonded Turntrans-93.4-6.5-179.7-6772.127.800113.4T3713T3713-Q3715 PolarHBondContact O-N 3.43Å; T3713-Q3715 VanDerWaalsContact O-N 3.12Å; T3713-Q3715 PolarHBondContact OG1-N 2.86Å
3716S92.9Very high92.5Very high19 Ų1940.8 Ų40.813%0.13323%0.232CC..  trans-63133.2-177.9-66.80000111.1T3713 T3718 Y3719 Q3720T3713-S3716 PolarHBondContact N-OG 3.15Å; T3713-S3716 WeakPolarHBondContact O-CB 3.42Å; T3713-S3716 PolarHBondContact O-N 3.45Å; T3713-S3716 VanDerWaalsContact O-N 3.11Å; T3713-S3716 PolarHBondContact O-OG 2.9Å; T3713-S3716 PolarHBondContact OG1-N 3.35Å; T3713-S3716 PolarHBondContact OG1-OG 2.81Å; T3713-S3716 VanDerWaalsContact OG1-OG 3.11Å; S3716-T3718 PolarHBondContact O-N 2.83Å; S3716-Y3719 WeakPolarHBondContact O-CB 3.34Å; S3716-Y3719 PolarHBondContact O-N 2.86Å; S3716-Q3720 PolarHBondContact O-N 3.39Å
3717P92.8Very high92.5Very high96 Ų9642.1 Ų42.162%0.62324%0.241SC*.Hα-helixtrans-53.3-50.3-177.4-28.134.6000112.9Y3719 Q3720 M3721P3717-Y3719 VanDerWaalsContact C-N 3.28Å; P3717-Y3719 PolarHBondContact O-N 3.49Å; P3717-Q3720 PolarHBondContact O-N 2.93Å; P3717-Q3720 VanDerWaalsContact O-N 3.11Å; P3717-M3721 HydrophobicContact CB-SD 4.46Å; P3717-M3721 WeakPolarHBondContact O-CB 3.28Å; P3717-M3721 WeakPolarHBondContact O-CG 3.39Å; P3717-M3721 PolarHBondContact O-N 3.14Å
3718T92.8Very high92.5Very high7 Ų745.4 Ų45.44%0.04326%0.258CS..Hα-helixtrans-59.9-35.9179-41.90000113.1F3712 S3716 L3722 Y3787 L3793F3712-T3718 HydrophobicContact CE1-CG2 4.29Å; F3712-T3718 HydrophobicContact CZ-CG2 4.12Å; S3716-T3718 PolarHBondContact O-N 2.83Å; T3718-L3722 WeakPolarHBondContact O-CB 3.45Å; T3718-L3722 PolarHBondContact O-N 3.31Å; T3718-Y3787 HydrophobicContact CG2-CD2 4.17Å; T3718-L3793 HydrophobicContact CG2-CD1 4.16Å
3719Y95Very high92.5Very high0 Ų044.6 Ų44.60%025%0.252CS..Hα-helixtrans-69.5-43176.4177.4-97.7000110.8L3703 T3706 P3708 K3714 S3716 P3717 M3721 L3722 I3723 I3761L3703-Y3719 HydrophobicContact CD2-CE1 3.98Å; T3706-Y3719 PolarHBondContact O-OH 3.18Å; T3706-Y3719 PolarHBondContact OG1-OH 3.14Å; P3708-Y3719 HydrophobicContact CB-CD2 4Å; P3708-Y3719 HydrophobicContact CB-CE2 4.01Å; P3708-Y3719 HydrophobicContact CB-CG 4.43Å; P3708-Y3719 HydrophobicContact CG-CE2 4.27Å; K3714-Y3719 HydrophobicContact CB-CE1 4.36Å; K3714-Y3719 HydrophobicContact CG-CE1 4.36Å; S3716-Y3719 WeakPolarHBondContact O-CB 3.34Å; S3716-Y3719 PolarHBondContact O-N 2.86Å; P3717-Y3719 VanDerWaalsContact C-N 3.28Å; P3717-Y3719 PolarHBondContact O-N 3.49Å; Y3719-M3721 PolarHBondContact O-N 3.48Å; Y3719-L3722 WeakPolarHBondContact O-CB 3.35Å; Y3719-L3722 PolarHBondContact O-N 3Å; Y3719-I3723 HydrophobicContact CD1-CG1 4.38Å; Y3719-I3723 HydrophobicContact CE1-CD1 4.32Å; Y3719-I3723 HydrophobicContact CE1-CG1 4.03Å; Y3719-I3723 HydrophobicContact CE2-CD1 4.32Å; Y3719-I3723 VanDerWaalsContact O-CG1 3.31Å; Y3719-I3723 WeakPolarHBondContact O-CG1 3.39Å; Y3719-I3723 PolarHBondContact O-N 3.31Å; Y3719-I3761 HydrophobicContact CD2-CB 4.17Å; Y3719-I3761 HydrophobicContact CD2-CG1 4.06Å; Y3719-I3761 HydrophobicContact CD2-CG2 4.35Å; Y3719-I3761 HydrophobicContact CE2-CB 4.39Å; Y3719-I3761 HydrophobicContact CE2-CG1 3.9Å
3720Q94.3Very high92.4Very high53 Ų5347.5 Ų47.525%0.24827%0.265CS..Hα-helixtrans-63.6-40.9175.3-73.1-65.5-29.200112.5K3714 S3716 P3717 L3722 I3723 N3724K3714-Q3720 PolarHBondContact O-NE2 3.03Å; S3716-Q3720 PolarHBondContact O-N 3.39Å; P3717-Q3720 PolarHBondContact O-N 2.93Å; P3717-Q3720 VanDerWaalsContact O-N 3.11Å; Q3720-L3722 VanDerWaalsContact C-N 3.35Å; Q3720-I3723 PolarHBondContact O-N 3.38Å; Q3720-N3724 PolarHBondContact O-N 3.31Å
3721M94.2Very high92.3Very high23 Ų2344.4 Ų44.411%0.11326%0.255CS..Hα-helixtrans-60.6-43.3173.6-68.1160.970.800111.5P3717 Y3719 I3723 N3724 V3725 S3789 E3790 L3793P3717-M3721 HydrophobicContact CB-SD 4.46Å; P3717-M3721 WeakPolarHBondContact O-CB 3.28Å; P3717-M3721 WeakPolarHBondContact O-CG 3.39Å; P3717-M3721 PolarHBondContact O-N 3.14Å; Y3719-M3721 PolarHBondContact O-N 3.48Å; M3721-I3723 PolarHBondContact O-N 2.9Å; M3721-N3724 PolarHBondContact O-N 3.18Å; M3721-V3725 WeakPolarHBondContact O-CB 3.36Å; M3721-V3725 VanDerWaalsContact O-CG2 3.31Å; M3721-V3725 WeakPolarHBondContact O-CG2 3.46Å; M3721-V3725 PolarHBondContact O-N 2.71Å; M3721-S3789 VanDerWaalsContact CE-O 3.3Å; M3721-S3789 WeakPolarHBondContact CE-O 3.41Å; M3721-E3790 HydrophobicContact CB-CG 3.75Å; M3721-E3790 HydrophobicContact CE-CG 4.22Å; M3721-E3790 HydrophobicContact CG-CG 3.68Å; M3721-L3793 HydrophobicContact CB-CD1 4.14Å
3722L95.2Very high92.1Very high1 Ų144.2 Ų44.21%0.00524%0.243CC..Hα-helixtrans-58-48.7174.1176.772000111T3718 Y3719 Q3720 N3724 V3725 L3726 I3761 L3782 L3784 L3793 L3797T3718-L3722 WeakPolarHBondContact O-CB 3.45Å; T3718-L3722 PolarHBondContact O-N 3.31Å; Y3719-L3722 WeakPolarHBondContact O-CB 3.35Å; Y3719-L3722 PolarHBondContact O-N 3Å; Q3720-L3722 VanDerWaalsContact C-N 3.35Å; L3722-N3724 VanDerWaalsContact C-N 3.31Å; L3722-N3724 PolarHBondContact O-N 3.15Å; L3722-V3725 PolarHBondContact O-N 3.45Å; L3722-L3726 HydrophobicContact CD1-CD1 4.13Å; L3722-L3726 HydrophobicContact CD1-CG 4.11Å; L3722-L3726 HydrophobicContact CD2-CD1 4.43Å; L3722-L3726 HydrophobicContact CG-CD1 3.94Å; L3722-L3726 HydrophobicContact CG-CG 4.25Å; L3722-L3726 WeakPolarHBondContact O-CB 3.37Å; L3722-L3726 VanDerWaalsContact O-CG 3.3Å; L3722-L3726 WeakPolarHBondContact O-CG 3.36Å; L3722-L3726 PolarHBondContact O-N 3.34Å; L3722-I3761 HydrophobicContact CD2-CD1 3.65Å; L3722-I3761 HydrophobicContact CD2-CG1 3.82Å; L3722-I3761 HydrophobicContact CD2-CG2 4.04Å; L3722-L3782 HydrophobicContact CD1-CD2 4.39Å; L3722-L3782 HydrophobicContact CD2-CD2 4.44Å; L3722-L3784 HydrophobicContact CB-CD1 4.37Å; L3722-L3784 HydrophobicContact CD1-CD1 4Å; L3722-L3784 HydrophobicContact CD2-CD1 3.73Å; L3722-L3784 HydrophobicContact CG-CD1 4.24Å; L3722-L3793 HydrophobicContact CB-CD1 4.16Å; L3722-L3793 HydrophobicContact CD1-CD2 3.99Å; L3722-L3797 HydrophobicContact CD1-CD2 4.02Å
3723I95.7Very high92Very high0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-60.3-42.7179.9-59.4-70.2000110.6R3699 L3702 L3703 Y3719 Q3720 M3721 L3726 C3727R3699-I3723 HydrophobicContact CG-CG2 3.98Å; L3702-I3723 HydrophobicContact CB-CD1 3.72Å; L3702-I3723 HydrophobicContact CB-CG2 4.2Å; L3702-I3723 HydrophobicContact CD1-CG2 4.29Å; L3703-I3723 HydrophobicContact CD2-CD1 4.34Å; L3703-I3723 HydrophobicContact CD2-CG1 4.04Å; L3703-I3723 HydrophobicContact CD2-CG2 4.36Å; L3703-I3723 HydrophobicContact CG-CG2 4.25Å; Y3719-I3723 HydrophobicContact CD1-CG1 4.38Å; Y3719-I3723 HydrophobicContact CE1-CD1 4.32Å; Y3719-I3723 HydrophobicContact CE1-CG1 4.03Å; Y3719-I3723 HydrophobicContact CE2-CD1 4.32Å; Y3719-I3723 VanDerWaalsContact O-CG1 3.31Å; Y3719-I3723 WeakPolarHBondContact O-CG1 3.39Å; Y3719-I3723 PolarHBondContact O-N 3.31Å; Q3720-I3723 PolarHBondContact O-N 3.38Å; M3721-I3723 PolarHBondContact O-N 2.9Å; I3723-L3726 PolarHBondContact O-N 3.47Å; I3723-C3727 PolarHBondContact O-N 3.32Å; I3723-C3727 PolarHBondContact O-SG 2.88Å
3724N94.1Very high91.9Very high47 Ų4743.4 Ų43.425%0.25123%0.233SC..Hα-helixtrans-60.1-46.8175.2-71.9-13.2000111.9R3699 Q3720 M3721 L3722 L3726 C3727 N3728 E3790R3699-N3724 PolarHBondContact NH1-OD1 3.45Å; Q3720-N3724 PolarHBondContact O-N 3.31Å; M3721-N3724 PolarHBondContact O-N 3.18Å; L3722-N3724 VanDerWaalsContact C-N 3.31Å; L3722-N3724 PolarHBondContact O-N 3.15Å; N3724-L3726 PolarHBondContact O-N 3.3Å; N3724-C3727 PolarHBondContact O-N 3.12Å; N3724-N3728 PolarHBondContact O-N 3.34Å; N3724-N3728 PolarHBondContact O-ND2 3.04Å; N3724-E3790 WeakPolarHBondContact CB-OE1 3.12Å; N3724-E3790 PolarHBondContact ND2-OE1 3.09Å
3725V95.3Very high91.6Very high6 Ų640.3 Ų40.34%0.03622%0.219CC..Hα-helixtrans-61.2-45.6178.2168.50000111.3M3721 L3722 C3727 N3728 F3729 E3790 L3793 R3794M3721-V3725 WeakPolarHBondContact O-CB 3.36Å; M3721-V3725 VanDerWaalsContact O-CG2 3.31Å; M3721-V3725 WeakPolarHBondContact O-CG2 3.46Å; M3721-V3725 PolarHBondContact O-N 2.71Å; L3722-V3725 PolarHBondContact O-N 3.45Å; V3725-C3727 PolarHBondContact O-N 3.13Å; V3725-N3728 CarbonylContact O-C 3.58Å; V3725-N3728 PolarHBondContact O-N 2.86Å; V3725-F3729 HydrophobicContact CG1-CD1 4.15Å; V3725-F3729 HydrophobicContact CG1-CE1 3.38Å; V3725-F3729 HydrophobicContact CG1-CZ 3.7Å; V3725-F3729 WeakPolarHBondContact O-CD1 3.45Å; V3725-F3729 PolarHBondContact O-N 2.9Å; V3725-E3790 HydrophobicContact CG2-CB 4.1Å; V3725-L3793 HydrophobicContact CB-CD2 4.07Å; V3725-L3793 HydrophobicContact CG1-CD2 4.02Å; V3725-L3793 HydrophobicContact CG2-CD2 4.03Å; V3725-R3794 HydrophobicContact CG1-CB 3.84Å; V3725-R3794 HydrophobicContact CG1-CG 4.14Å; V3725-R3794 HydrophobicContact CG2-CB 4.11Å
3726L94.2Very high91.3Very high1 Ų133.7 Ų33.71%0.00519%0.19CC..Hα-helixtrans-67.6-31.7179.5-67.5-179.8000113.5W3697 L3702 L3722 I3723 N3724 N3728 F3729 F3737 L3797W3697-L3726 PolarHBondContact NE1-O 2.76Å; L3702-L3726 HydrophobicContact CD1-CB 3.72Å; L3702-L3726 HydrophobicContact CD2-CD1 4.1Å; L3722-L3726 HydrophobicContact CD1-CD1 4.13Å; L3722-L3726 HydrophobicContact CD1-CG 4.11Å; L3722-L3726 HydrophobicContact CD2-CD1 4.43Å; L3722-L3726 HydrophobicContact CG-CD1 3.94Å; L3722-L3726 HydrophobicContact CG-CG 4.25Å; L3722-L3726 WeakPolarHBondContact O-CB 3.37Å; L3722-L3726 VanDerWaalsContact O-CG 3.3Å; L3722-L3726 WeakPolarHBondContact O-CG 3.36Å; L3722-L3726 PolarHBondContact O-N 3.34Å; I3723-L3726 PolarHBondContact O-N 3.47Å; N3724-L3726 PolarHBondContact O-N 3.3Å; L3726-N3728 VanDerWaalsContact C-N 3.31Å; L3726-F3729 HydrophobicContact CD2-CD2 3.78Å; L3726-F3729 HydrophobicContact CD2-CE2 3.58Å; L3726-F3729 HydrophobicContact CD2-CZ 4.37Å; L3726-F3737 HydrophobicContact CD1-CE1 3.91Å; L3726-F3737 HydrophobicContact CD1-CZ 3.82Å; L3726-F3737 HydrophobicContact CD2-CD1 3.72Å; L3726-F3737 HydrophobicContact CD2-CD2 3.8Å; L3726-F3737 HydrophobicContact CD2-CE1 3.68Å; L3726-F3737 HydrophobicContact CD2-CE2 3.76Å; L3726-F3737 HydrophobicContact CD2-CG 3.77Å; L3726-F3737 HydrophobicContact CD2-CZ 3.69Å; L3726-F3737 HydrophobicContact CG-CE1 4.47Å; L3726-F3737 HydrophobicContact CG-CZ 4.4Å; L3726-L3797 HydrophobicContact CD2-CD2 4.44Å
3727C93.4Very high91.2Very high31 Ų3132.9 Ų32.921%0.20919%0.185CC..Hα-helixtrans-65.2-39.2172.9-67.80000111.2R3699 I3723 N3724 V3725 F3729 R3734R3699-C3727 VanDerWaalsContact CA-SG 3.57Å; I3723-C3727 PolarHBondContact O-N 3.32Å; I3723-C3727 PolarHBondContact O-SG 2.88Å; N3724-C3727 PolarHBondContact O-N 3.12Å; V3725-C3727 PolarHBondContact O-N 3.13Å; C3727-F3729 VanDerWaalsContact C-N 3.29Å; C3727-F3729 PolarHBondContact O-N 3.11Å; C3727-R3734 PolarHBondContact O-NH2 3.1Å
3728N93Very high90.9Very high112 Ų11228.5 Ų28.560%0.59916%0.156SC*.THydrogen-bonded Turntrans-85.78.9-178-67.5-22.6000113.9N3724 V3725 L3726 R3794N3724-N3728 PolarHBondContact O-N 3.34Å; N3724-N3728 PolarHBondContact O-ND2 3.04Å; V3725-N3728 CarbonylContact O-C 3.58Å; V3725-N3728 PolarHBondContact O-N 2.86Å; L3726-N3728 VanDerWaalsContact C-N 3.31Å; N3728-R3794 PolarHBondContact O-NH1 2.88Å
3729F91.7Very high90.5Very high5 Ų529.5 Ų29.52%0.02216%0.16CC..  trans-77.3135.6172.3-81.3-0.8000110.9V3725 L3726 C3727 E3733 R3734 F3737 R3794 L3797 L3798V3725-F3729 HydrophobicContact CG1-CD1 4.15Å; V3725-F3729 HydrophobicContact CG1-CE1 3.38Å; V3725-F3729 HydrophobicContact CG1-CZ 3.7Å; V3725-F3729 WeakPolarHBondContact O-CD1 3.45Å; V3725-F3729 PolarHBondContact O-N 2.9Å; L3726-F3729 HydrophobicContact CD2-CD2 3.78Å; L3726-F3729 HydrophobicContact CD2-CE2 3.58Å; L3726-F3729 HydrophobicContact CD2-CZ 4.37Å; C3727-F3729 VanDerWaalsContact C-N 3.29Å; C3727-F3729 PolarHBondContact O-N 3.11Å; F3729-E3733 VanDerWaalsContact CA-OE2 3.3Å; F3729-E3733 WeakPolarHBondContact CA-OE2 3.47Å; F3729-E3733 HydrophobicContact CB-CB 3.77Å; F3729-E3733 HydrophobicContact CD1-CB 4.07Å; F3729-E3733 HydrophobicContact CD2-CB 3.98Å; F3729-E3733 HydrophobicContact CG-CB 3.71Å; F3729-R3734 HydrophobicContact CB-CG 3.62Å; F3729-R3734 PolarHBondContact O-NE 3.12Å; F3729-F3737 HydrophobicContact CD2-CB 4.24Å; F3729-F3737 HydrophobicContact CE2-CB 3.94Å; F3729-F3737 HydrophobicContact CE2-CD2 4.38Å; F3729-F3737 HydrophobicContact CE2-CG 4.26Å; F3729-R3794 HydrophobicContact CE1-CG 4.21Å; F3729-L3797 HydrophobicContact CE2-CD2 4.2Å; F3729-L3797 HydrophobicContact CZ-CD2 3.9Å; F3729-L3797 HydrophobicContact CZ-CG 4.49Å; F3729-L3798 HydrophobicContact CE1-CD2 4.17Å; F3729-L3798 HydrophobicContact CE1-CG 4.38Å; F3729-L3798 HydrophobicContact CZ-CD2 3.94Å; F3729-L3798 HydrophobicContact CZ-CG 4.3Å
3730N89.2Confident90.2Very high85 Ų8530.9 Ų30.946%0.45517%0.166SC..  trans-72.2169.5167.669.834.3000110.7T3732 E3733 R3734N3730-T3732 VanDerWaalsContact C-N 3.25Å; N3730-T3732 PolarHBondContact O-N 2.85Å; N3730-T3732 WeakPolarHBondContact OD1-CB 3.17Å; N3730-T3732 PolarHBondContact OD1-N 3.02Å; N3730-T3732 VanDerWaalsContact OD1-N 3.1Å; N3730-E3733 PolarHBondContact N-OE2 2.99Å; N3730-E3733 PolarHBondContact O-N 3.36Å; N3730-E3733 WeakPolarHBondContact OD1-CB 3.35Å; N3730-E3733 VanDerWaalsContact OD1-CG 3.32Å; N3730-E3733 WeakPolarHBondContact OD1-CG 3.48Å; N3730-E3733 PolarHBondContact OD1-N 2.74Å; N3730-R3734 VanDerWaalsContact O-CG 3.26Å; N3730-R3734 WeakPolarHBondContact O-CG 3.22Å; N3730-R3734 PolarHBondContact O-N 3.4Å
3731S82.4Confident89.9Confident67 Ų6728.3 Ų28.347%0.46915%0.154SC..Hα-helixtrans-54.9-38.5-176.5-56.20000113.4R3735S3731-R3735 VanDerWaalsContact O-CG 3.23Å; S3731-R3735 WeakPolarHBondContact O-CG 3.41Å; S3731-R3735 PolarHBondContact O-N 3.27Å; S3731-R3735 VanDerWaalsContact O-N 3.12Å
3732T81.9Confident89.4Confident47 Ų4727.4 Ų27.429%0.28815%0.15SC..Hα-helixtrans-67.9-47.5178.3-48.40000111.4L3304 N3730 R3734 R3735 A3736L3304-T3732 HydrophobicContact CD2-CG2 4.06Å; L3304-T3732 WeakPolarHBondContact CD2-O 3.33Å; N3730-T3732 VanDerWaalsContact C-N 3.25Å; N3730-T3732 PolarHBondContact O-N 2.85Å; N3730-T3732 WeakPolarHBondContact OD1-CB 3.17Å; N3730-T3732 PolarHBondContact OD1-N 3.02Å; N3730-T3732 VanDerWaalsContact OD1-N 3.1Å; T3732-R3734 VanDerWaalsContact C-N 3.31Å; T3732-R3734 PolarHBondContact O-N 2.82Å; T3732-R3735 PolarHBondContact O-N 2.84Å; T3732-A3736 PolarHBondContact O-N 2.87Å
3733E88.9Confident88.7Confident32 Ų3227.4 Ų27.415%0.1515%0.15CC..Hα-helixtrans-62.4-37.4177.2-68.5173.314700111.9F3729 N3730 A3736 F3737 R3794 L3798F3729-E3733 VanDerWaalsContact CA-OE2 3.3Å; F3729-E3733 WeakPolarHBondContact CA-OE2 3.47Å; F3729-E3733 HydrophobicContact CB-CB 3.77Å; F3729-E3733 HydrophobicContact CD1-CB 4.07Å; F3729-E3733 HydrophobicContact CD2-CB 3.98Å; F3729-E3733 HydrophobicContact CG-CB 3.71Å; N3730-E3733 PolarHBondContact N-OE2 2.99Å; N3730-E3733 PolarHBondContact O-N 3.36Å; N3730-E3733 WeakPolarHBondContact OD1-CB 3.35Å; N3730-E3733 VanDerWaalsContact OD1-CG 3.32Å; N3730-E3733 WeakPolarHBondContact OD1-CG 3.48Å; N3730-E3733 PolarHBondContact OD1-N 2.74Å; E3733-A3736 PolarHBondContact O-N 3Å; E3733-F3737 WeakPolarHBondContact O-CB 3.24Å; E3733-F3737 PolarHBondContact O-N 3.38Å; E3733-R3794 IonicContact OE1-CZ 3.71Å; E3733-R3794 IonicContact OE1-NE 3.22Å; E3733-R3794 IonicContact OE1-NH2 2.73Å; E3733-R3794 PolarHBondContact OE1-NH2 3.46Å; E3733-R3794 IonicContact OE2-CZ 2.78Å; E3733-R3794 IonicContact OE2-NH2 3.38Å; E3733-R3794 PolarHBondContact OE2-NH2 2.99Å; E3733-L3798 HydrophobicContact CB-CD2 4.2Å; E3733-L3798 HydrophobicContact CG-CD2 3.89Å
3734R90.3Very high87.9Confident32 Ų3227.8 Ų27.812%0.12115%0.152CC..Hα-helixtrans-62-46.5174.8-69.5-176.9-175.6-174.4-5.6111.6V3695 W3697 C3727 F3729 N3730 T3732 F3737 L3738V3695-R3734 HydrophobicContact CB-CB 4.36Å; V3695-R3734 HydrophobicContact CG1-CB 3.97Å; V3695-R3734 WeakPolarHBondContact O-CD 3.18Å; V3695-R3734 PolarHBondContact O-NH1 2.85Å; V3695-R3734 VanDerWaalsContact O-NH1 3.11Å; W3697-R3734 HydrophobicContact CH2-CB 3.55Å; W3697-R3734 HydrophobicContact CH2-CG 3.9Å; W3697-R3734 HydrophobicContact CZ2-CB 3.56Å; W3697-R3734 HydrophobicContact CZ2-CG 3.35Å; W3697-R3734 HydrophobicContact CZ3-CB 4.41Å; C3727-R3734 PolarHBondContact O-NH2 3.1Å; F3729-R3734 HydrophobicContact CB-CG 3.62Å; F3729-R3734 PolarHBondContact O-NE 3.12Å; N3730-R3734 VanDerWaalsContact O-CG 3.26Å; N3730-R3734 WeakPolarHBondContact O-CG 3.22Å; N3730-R3734 PolarHBondContact O-N 3.4Å; T3732-R3734 VanDerWaalsContact C-N 3.31Å; T3732-R3734 PolarHBondContact O-N 2.82Å; R3734-F3737 PolarHBondContact O-N 3.3Å; R3734-L3738 WeakPolarHBondContact O-CG 3.3Å; R3734-L3738 PolarHBondContact O-N 3.15Å
3735R84.8Confident87.3Confident29 Ų2925.6 Ų25.611%0.10914%0.141CC..Hα-helixtrans-64.9-42.1177.3-66.4169.365.984.90.7111.3L3304 D3383 V3695 S3731 T3732 F3737 L3738 Q3739L3304-R3735 HydrophobicContact CD1-CB 3.75Å; L3304-R3735 HydrophobicContact CD2-CB 4.48Å; L3304-R3735 HydrophobicContact CG-CB 4.28Å; D3383-R3735 IonicContact OD1-CZ 2.77Å; D3383-R3735 IonicContact OD1-NH2 2.83Å; D3383-R3735 PolarHBondContact OD1-NH2 3.29Å; D3383-R3735 IonicContact OD2-CZ 3.72Å; D3383-R3735 IonicContact OD2-NH2 3.75Å; D3383-R3735 PolarHBondContact OD2-NH2 3.13Å; V3695-R3735 HydrophobicContact CB-CG 4.41Å; V3695-R3735 HydrophobicContact CG2-CG 3.84Å; S3731-R3735 VanDerWaalsContact O-CG 3.23Å; S3731-R3735 WeakPolarHBondContact O-CG 3.41Å; S3731-R3735 PolarHBondContact O-N 3.27Å; S3731-R3735 VanDerWaalsContact O-N 3.12Å; T3732-R3735 PolarHBondContact O-N 2.84Å; R3735-F3737 VanDerWaalsContact C-N 3.31Å; R3735-F3737 PolarHBondContact O-N 2.77Å; R3735-L3738 PolarHBondContact O-N 2.87Å; R3735-Q3739 PolarHBondContact O-N 3.18Å
3736A84.4Confident86.6Confident14 Ų1425.4 Ų25.412%0.11614%0.14CC..Hα-helixtrans-59-45.4176.800000111.1L3304 T3732 E3733 Q3739 F3740 T3801L3304-A3736 VanDerWaalsContact CD2-CA 3.49Å; L3304-A3736 HydrophobicContact CD2-CB 3.39Å; T3732-A3736 PolarHBondContact O-N 2.87Å; E3733-A3736 PolarHBondContact O-N 3Å; A3736-Q3739 PolarHBondContact O-N 2.72Å; A3736-F3740 WeakPolarHBondContact O-CB 3.42Å; A3736-F3740 PolarHBondContact O-N 2.82Å; A3736-T3801 HydrophobicContact CB-CG2 4.42Å
3737F90.7Very high86Confident3 Ų325.4 Ų25.41%0.01314%0.14CC..Hα-helixtrans-63.5-41.4176.7175.1-100.8000112.7W3697 L3726 F3729 E3733 R3734 R3735 F3740 T3741 L3759 L3782 L3797W3697-F3737 HydrophobicContact CH2-CD1 4.33Å; L3726-F3737 HydrophobicContact CD1-CE1 3.91Å; L3726-F3737 HydrophobicContact CD1-CZ 3.82Å; L3726-F3737 HydrophobicContact CD2-CD1 3.72Å; L3726-F3737 HydrophobicContact CD2-CD2 3.8Å; L3726-F3737 HydrophobicContact CD2-CE1 3.68Å; L3726-F3737 HydrophobicContact CD2-CE2 3.76Å; L3726-F3737 HydrophobicContact CD2-CG 3.77Å; L3726-F3737 HydrophobicContact CD2-CZ 3.69Å; L3726-F3737 HydrophobicContact CG-CE1 4.47Å; L3726-F3737 HydrophobicContact CG-CZ 4.4Å; F3729-F3737 HydrophobicContact CD2-CB 4.24Å; F3729-F3737 HydrophobicContact CE2-CB 3.94Å; F3729-F3737 HydrophobicContact CE2-CD2 4.38Å; F3729-F3737 HydrophobicContact CE2-CG 4.26Å; E3733-F3737 WeakPolarHBondContact O-CB 3.24Å; E3733-F3737 PolarHBondContact O-N 3.38Å; R3734-F3737 PolarHBondContact O-N 3.3Å; R3735-F3737 VanDerWaalsContact C-N 3.31Å; R3735-F3737 PolarHBondContact O-N 2.77Å; F3737-F3740 PolarHBondContact O-N 2.81Å; F3737-T3741 HydrophobicContact CD2-CG2 4.09Å; F3737-T3741 HydrophobicContact CE1-CG2 4.14Å; F3737-T3741 HydrophobicContact CE2-CG2 3.61Å; F3737-T3741 HydrophobicContact CZ-CG2 3.64Å; F3737-T3741 WeakPolarHBondContact O-CB 2.9Å; F3737-T3741 WeakPolarHBondContact O-CG2 3.3Å; F3737-T3741 PolarHBondContact O-N 2.88Å; F3737-T3741 PolarHBondContact O-OG1 3Å; F3737-L3759 HydrophobicContact CE1-CD2 3.93Å; F3737-L3759 HydrophobicContact CZ-CD2 4.01Å; F3737-L3782 HydrophobicContact CE2-CD2 3.71Å; F3737-L3782 HydrophobicContact CZ-CD2 3.98Å; F3737-L3797 HydrophobicContact CD2-CD1 4.14Å; F3737-L3797 HydrophobicContact CD2-CD2 3.97Å; F3737-L3797 HydrophobicContact CD2-CG 4.29Å; F3737-L3797 HydrophobicContact CE2-CD1 4.16Å; F3737-L3797 HydrophobicContact CE2-CD2 4.04Å
3738L88Confident85.2Confident3 Ų324.3 Ų24.32%0.01613%0.132CC..Hα-helixtrans-64.4-44.9175.2-74.9178.1000112.1V3695 W3697 R3734 R3735 F3740 T3741 T3742 C3744 L3747V3695-L3738 HydrophobicContact CB-CD1 4.37Å; V3695-L3738 HydrophobicContact CG1-CD1 3.55Å; V3695-L3738 HydrophobicContact CG1-CG 4.47Å; V3695-L3738 HydrophobicContact CG2-CD1 3.85Å; W3697-L3738 HydrophobicContact CH2-CD1 4.29Å; W3697-L3738 HydrophobicContact CH2-CD2 4.19Å; W3697-L3738 HydrophobicContact CH2-CG 3.91Å; W3697-L3738 HydrophobicContact CZ3-CD1 3.88Å; W3697-L3738 HydrophobicContact CZ3-CD2 3.88Å; W3697-L3738 HydrophobicContact CZ3-CG 3.84Å; R3734-L3738 WeakPolarHBondContact O-CG 3.3Å; R3734-L3738 PolarHBondContact O-N 3.15Å; R3735-L3738 PolarHBondContact O-N 2.87Å; L3738-F3740 VanDerWaalsContact C-N 3.32Å; L3738-F3740 PolarHBondContact O-N 2.96Å; L3738-T3741 PolarHBondContact O-N 2.92Å; L3738-T3741 PolarHBondContact O-OG1 2.82Å; L3738-T3742 WeakPolarHBondContact O-CA 3.49Å; L3738-T3742 WeakPolarHBondContact O-CB 3.27Å; L3738-T3742 PolarHBondContact O-N 3.35Å; L3738-T3742 PolarHBondContact O-OG1 2.79Å; L3738-C3744 CarbonylContact C-O 3.6Å; L3738-C3744 WeakPolarHBondContact CB-O 2.99Å; L3738-L3747 HydrophobicContact CD1-CD1 4.48Å; L3738-L3747 HydrophobicContact CD1-CD2 3.95Å; L3738-L3747 HydrophobicContact CD1-CG 3.72Å; L3738-L3747 HydrophobicContact CD2-CD2 3.7Å; L3738-L3747 HydrophobicContact CD2-CG 4.38Å; L3738-L3747 HydrophobicContact CG-CD2 4.49Å
3739Q84.5Confident84.2Confident29 Ų2920.8 Ų20.814%0.13612%0.115CC..Hα-helixtrans-61.2-45.1177.6-173.8176.52.200110.4E3268 L3304 R3735 A3736 T3741 G3743 C3744E3268-Q3739 PolarHBondContact OE2-NE2 3.18Å; L3304-Q3739 HydrophobicContact CD1-CB 4.49Å; R3735-Q3739 PolarHBondContact O-N 3.18Å; A3736-Q3739 PolarHBondContact O-N 2.72Å; Q3739-T3741 PolarHBondContact O-N 2.58Å; Q3739-G3743 WeakPolarHBondContact O-CA 2.93Å; Q3739-G3743 PolarHBondContact O-N 2.94Å; Q3739-C3744 WeakPolarHBondContact CA-O 3.24Å; Q3739-C3744 PolarHBondContact N-O 3.29Å; Q3739-C3744 VanDerWaalsContact N-O 3.14Å
3740F87.4Confident83.3Confident28 Ų2823.2 Ų23.212%0.12314%0.142CC..Hα-helixtrans-59.4-44.2174.7-179.9-111.5000112.2A3736 F3737 L3738 P3773 V3775 T3777 L3782 L3797 A3800 T3801 L3808A3736-F3740 WeakPolarHBondContact O-CB 3.42Å; A3736-F3740 PolarHBondContact O-N 2.82Å; F3737-F3740 PolarHBondContact O-N 2.81Å; L3738-F3740 VanDerWaalsContact C-N 3.32Å; L3738-F3740 PolarHBondContact O-N 2.96Å; F3740-P3773 HydrophobicContact CE1-CG 4.44Å; F3740-V3775 HydrophobicContact CD1-CG1 4.37Å; F3740-V3775 HydrophobicContact CD2-CG1 4.06Å; F3740-V3775 HydrophobicContact CE1-CB 4.17Å; F3740-V3775 HydrophobicContact CE1-CG1 4.07Å; F3740-V3775 HydrophobicContact CE2-CG1 3.74Å; F3740-V3775 HydrophobicContact CG-CG1 4.36Å; F3740-V3775 HydrophobicContact CZ-CB 4.19Å; F3740-V3775 HydrophobicContact CZ-CG1 3.74Å; F3740-V3775 WeakPolarHBondContact O-CG1 3.2Å; F3740-V3775 WeakPolarHBondContact O-CG2 3.1Å; F3740-T3777 VanDerWaalsContact O-CG2 3.31Å; F3740-T3777 WeakPolarHBondContact O-CG2 3.3Å; F3740-L3782 HydrophobicContact CD1-CD1 4.33Å; F3740-L3782 HydrophobicContact CE1-CD1 3.72Å; F3740-L3797 HydrophobicContact CE1-CD1 4.44Å; F3740-A3800 HydrophobicContact CE1-CB 4.39Å; F3740-A3800 HydrophobicContact CE2-CB 4.11Å; F3740-A3800 WeakPolarHBondContact CE2-O 3.06Å; F3740-A3800 HydrophobicContact CZ-CB 3.83Å; F3740-T3801 HydrophobicContact CB-CG2 3.76Å; F3740-T3801 HydrophobicContact CD1-CG2 4.26Å; F3740-T3801 HydrophobicContact CG-CG2 4.03Å; F3740-L3808 HydrophobicContact CE2-CD1 4.38Å
3741T89Confident82.9Confident0 Ų019.7 Ų19.70%013%0.126CC..Hα-helixtrans-84-25-173.953.20000115.4F3737 L3738 Q3739 L3759 V3775 L3782F3737-T3741 HydrophobicContact CD2-CG2 4.09Å; F3737-T3741 HydrophobicContact CE1-CG2 4.14Å; F3737-T3741 HydrophobicContact CE2-CG2 3.61Å; F3737-T3741 HydrophobicContact CZ-CG2 3.64Å; F3737-T3741 WeakPolarHBondContact O-CB 2.9Å; F3737-T3741 WeakPolarHBondContact O-CG2 3.3Å; F3737-T3741 PolarHBondContact O-N 2.88Å; F3737-T3741 PolarHBondContact O-OG1 3Å; L3738-T3741 PolarHBondContact O-N 2.92Å; L3738-T3741 PolarHBondContact O-OG1 2.82Å; Q3739-T3741 PolarHBondContact O-N 2.58Å; T3741-L3759 HydrophobicContact CG2-CD1 4.11Å; T3741-V3775 HydrophobicContact CG2-CG2 4.49Å; T3741-L3782 HydrophobicContact CG2-CB 4.35Å; T3741-L3782 HydrophobicContact CG2-CD1 4.19Å; T3741-L3782 HydrophobicContact CG2-CD2 4.31Å
3742T84Confident83Confident4 Ų417.1 Ų17.13%0.02511%0.107CC..Hα-helixtrans-125.5-17.1-171.373.90000114.1L3267 L3738 C3744 L3755L3267-T3742 VanDerWaalsContact CD1-O 3.3Å; L3267-T3742 WeakPolarHBondContact CD1-O 3.47Å; L3738-T3742 WeakPolarHBondContact O-CA 3.49Å; L3738-T3742 WeakPolarHBondContact O-CB 3.27Å; L3738-T3742 PolarHBondContact O-N 3.35Å; L3738-T3742 PolarHBondContact O-OG1 2.79Å; T3742-C3744 PolarHBondContact OG1-N 2.83Å; T3742-C3744 VanDerWaalsContact OG1-N 3.12Å; T3742-C3744 PolarHBondContact OG1-O 2.95Å; T3742-L3755 HydrophobicContact CG2-CD1 4.34Å; T3742-L3755 HydrophobicContact CG2-CD2 4.27Å
3743G79.4Confident83.3Confident1 Ų120.4 Ų20.41%0.0112%0.117CC..SBendtrans80.40-168.400000113.8L3267 E3268 S3271 Q3739L3267-G3743 CarbonylContact C-O 3.53Å; L3267-G3743 VanDerWaalsContact CB-O 3.29Å; L3267-G3743 WeakPolarHBondContact CB-O 3.01Å; E3268-G3743 PolarHBondContact N-O 3.05Å; S3271-G3743 PolarHBondContact OG-O 3.19Å; Q3739-G3743 WeakPolarHBondContact O-CA 2.93Å; Q3739-G3743 PolarHBondContact O-N 2.94Å
3744C80Confident83Confident7 Ų723 Ų235%0.04713%0.132CC..  trans-129.3136.6179.2-171.80000110.4L3267 L3738 Q3739 T3742 S3746L3267-C3744 HydrophobicContact CB-CB 4.5Å; L3267-C3744 HydrophobicContact CD1-CB 4.33Å; L3738-C3744 CarbonylContact C-O 3.6Å; L3738-C3744 WeakPolarHBondContact CB-O 2.99Å; Q3739-C3744 WeakPolarHBondContact CA-O 3.24Å; Q3739-C3744 PolarHBondContact N-O 3.29Å; Q3739-C3744 VanDerWaalsContact N-O 3.14Å; T3742-C3744 PolarHBondContact OG1-N 2.83Å; T3742-C3744 VanDerWaalsContact OG1-N 3.12Å; T3742-C3744 PolarHBondContact OG1-O 2.95Å; C3744-S3746 VanDerWaalsContact C-N 3.29Å; C3744-S3746 PolarHBondContact O-N 3.38Å
3745S80Confident82.7Confident1 Ų122.2 Ų22.21%0.00713%0.13CC..SBendtrans-79.2-8.4-179.457.90000113.9D3383D3383-S3745 WeakPolarHBondContact CB-OG 3.26Å; D3383-S3745 PolarHBondContact OD2-OG 2.81Å
3746S80.7Confident82.5Confident3 Ų328.7 Ų28.72%0.02116%0.161CC..SBendtrans-122154-175.767.70000113.4A3690 C3744A3690-S3746 WeakPolarHBondContact O-CB 3.43Å; A3690-S3746 PolarHBondContact O-OG 3.24Å; C3744-S3746 VanDerWaalsContact C-N 3.29Å; C3744-S3746 PolarHBondContact O-N 3.38Å
3747L82.2Confident82.5Confident1 Ų130 Ų301%0.00517%0.168CC..BIsolated β-bridgetrans-88.5155.4175.8-72.9174.5000111.8G3691 D3692 V3695 W3697 L3738 L3752G3691-L3747 WeakPolarHBondContact CA-O 3.33Å; D3692-L3747 PolarHBondContact N-O 2.66Å; V3695-L3747 HydrophobicContact CG1-CD1 4.05Å; V3695-L3747 HydrophobicContact CG1-CG 4.41Å; W3697-L3747 HydrophobicContact CE3-CD1 3.93Å; W3697-L3747 HydrophobicContact CZ3-CD1 4.11Å; L3738-L3747 HydrophobicContact CD1-CD1 4.48Å; L3738-L3747 HydrophobicContact CD1-CD2 3.95Å; L3738-L3747 HydrophobicContact CD1-CG 3.72Å; L3738-L3747 HydrophobicContact CD2-CD2 3.7Å; L3738-L3747 HydrophobicContact CD2-CG 4.38Å; L3738-L3747 HydrophobicContact CG-CD2 4.49Å; L3747-L3752 HydrophobicContact CD1-CD2 4.23Å; L3747-L3752 HydrophobicContact CD1-CG 4.04Å; L3747-L3752 HydrophobicContact CD2-CD2 3.75Å; L3747-L3752 HydrophobicContact CD2-CG 4.37Å
3748P76.6Confident82.4Confident8 Ų834.3 Ų34.35%0.05219%0.185CC..PPolyproline II helixtrans-58.8152.5166.923.5-30.7000113.3R3381 G3750 G3751 N3754 L3755R3381-P3748 VanDerWaalsContact CZ-CB 3.48Å; R3381-P3748 VanDerWaalsContact NH1-CA 3.31Å; R3381-P3748 VanDerWaalsContact NH2-CA 3.32Å; P3748-G3750 PolarHBondContact O-N 2.67Å; P3748-G3751 PolarHBondContact O-N 2.81Å; P3748-N3754 HydrophobicContact CB-CB 4.15Å; P3748-N3754 VanDerWaalsContact CG-C 3.45Å; P3748-N3754 HydrophobicContact CG-CB 4.01Å; P3748-L3755 HydrophobicContact CG-CB 4.28Å; P3748-L3755 HydrophobicContact CG-CD1 4.45Å
3749P71.3Confident82.6Confident37 Ų3734.4 Ų34.424%0.2419%0.185CC..THydrogen-bonded Turntrans-48.3125.9166.7-26.934.5000109.8N3754P3749-N3754 PolarHBondContact O-ND2 3.38Å
3750G73.7Confident83.1Confident57 Ų5737.3 Ų37.359%0.58820%0.195SC*.THydrogen-bonded Turntrans89.98.8-171.400000116P3748P3748-G3750 PolarHBondContact O-N 2.67Å
3751G80.8Confident83.4Confident11 Ų1136 Ų3611%0.11319%0.189CC..G310 helixtrans70.2-154.4169.400000115P3748 K3753 N3754P3748-G3751 PolarHBondContact O-N 2.81Å; G3751-K3753 PolarHBondContact O-N 3.19Å; G3751-N3754 PolarHBondContact O-N 2.85Å; G3751-N3754 VanDerWaalsContact O-N 3.09Å
3752L85.1Confident83.6Confident12 Ų1236.6 Ų36.66%0.06319%0.193CC..G310 helixtrans-56.2-24.8-177.9-72.6173.4000113.9W3697 D3701 L3702 Y3705 L3747 N3754 L3755W3697-L3752 HydrophobicContact CB-CD1 3.52Å; W3697-L3752 HydrophobicContact CB-CG 4.42Å; W3697-L3752 HydrophobicContact CD2-CD1 4.18Å; W3697-L3752 HydrophobicContact CE3-CD1 4.04Å; W3697-L3752 HydrophobicContact CE3-CD2 4.38Å; W3697-L3752 HydrophobicContact CE3-CG 4.22Å; W3697-L3752 HydrophobicContact CG-CD1 4.01Å; D3701-L3752 HydrophobicContact CB-CD1 4.39Å; L3702-L3752 HydrophobicContact CD2-CD1 3.71Å; L3702-L3752 HydrophobicContact CG-CD1 4.31Å; Y3705-L3752 HydrophobicContact CD2-CB 4.21Å; L3747-L3752 HydrophobicContact CD1-CD2 4.23Å; L3747-L3752 HydrophobicContact CD1-CG 4.04Å; L3747-L3752 HydrophobicContact CD2-CD2 3.75Å; L3747-L3752 HydrophobicContact CD2-CG 4.37Å; L3752-N3754 VanDerWaalsContact C-N 3.26Å; L3752-N3754 PolarHBondContact O-N 2.96Å; L3752-L3755 HydrophobicContact CD2-CD2 4.27Å; L3752-L3755 PolarHBondContact O-N 3.18Å
3753K87Confident83.9Confident117 Ų11741.8 Ų41.851%0.50921%0.212SC..G310 helixtrans-58.6-40.2177.9-179.3179176-177.10112.1Y3705 G3751 R3758Y3705-K3753 HydrophobicContact CD1-CB 4.49Å; Y3705-K3753 HydrophobicContact CD2-CB 4.21Å; Y3705-K3753 HydrophobicContact CE1-CB 4.07Å; Y3705-K3753 HydrophobicContact CE1-CG 3.89Å; Y3705-K3753 HydrophobicContact CE2-CB 3.77Å; Y3705-K3753 HydrophobicContact CE2-CG 4.32Å; G3751-K3753 PolarHBondContact O-N 3.19Å; K3753-R3758 PolarHBondContact O-NH1 2.81Å; K3753-R3758 PolarHBondContact O-NH2 2.98Å
3754N82.8Confident84.3Confident87 Ų8742.7 Ų42.747%0.46522%0.216SC..G310 helixtrans-96.81.1-175.3-71.5-9.3000112.9P3748 P3749 G3751 L3752 H3756P3748-N3754 HydrophobicContact CB-CB 4.15Å; P3748-N3754 VanDerWaalsContact CG-C 3.45Å; P3748-N3754 HydrophobicContact CG-CB 4.01Å; P3749-N3754 PolarHBondContact O-ND2 3.38Å; G3751-N3754 PolarHBondContact O-N 2.85Å; G3751-N3754 VanDerWaalsContact O-N 3.09Å; L3752-N3754 VanDerWaalsContact C-N 3.26Å; L3752-N3754 PolarHBondContact O-N 2.96Å; N3754-H3756 PolarHBondContact O-N 3.37Å; N3754-H3756 VanDerWaalsContact O-N 3.1Å
3755L83.6Confident84.3Confident15 Ų1549.5 Ų49.58%0.07925%0.247CC..  trans-65111.7172.8-171.166.9000109.6T3742 P3748 L3752 P3757 R3758 L3759T3742-L3755 HydrophobicContact CG2-CD1 4.34Å; T3742-L3755 HydrophobicContact CG2-CD2 4.27Å; P3748-L3755 HydrophobicContact CG-CB 4.28Å; P3748-L3755 HydrophobicContact CG-CD1 4.45Å; L3752-L3755 HydrophobicContact CD2-CD2 4.27Å; L3752-L3755 PolarHBondContact O-N 3.18Å; L3755-P3757 CarbonylContact C-O 3.56Å; L3755-P3757 VanDerWaalsContact C-O 3.3Å; L3755-P3757 CarbonylContact O-C 3.53Å; L3755-P3757 VanDerWaalsContact O-O 3.12Å; L3755-R3758 WeakPolarHBondContact O-CA 3.3Å; L3755-R3758 PolarHBondContact O-N 3Å; L3755-L3759 HydrophobicContact CD2-CB 4.31Å
3756H80.5Confident83.8Confident164 Ų16454.6 Ų54.676%0.75927%0.273SS*.SBendtrans-127.7123.7-178.8-169.680.9000110.8N3754N3754-H3756 PolarHBondContact O-N 3.37Å; N3754-H3756 VanDerWaalsContact O-N 3.1Å
3757P85Confident82.9Confident41 Ų4159.9 Ų59.927%0.26631%0.305SS..SBendcis-58.7161.3-6.3-23.935.9000113.3L3755 H3780L3755-P3757 CarbonylContact C-O 3.56Å; L3755-P3757 VanDerWaalsContact C-O 3.3Å; L3755-P3757 CarbonylContact O-C 3.53Å; L3755-P3757 VanDerWaalsContact O-O 3.12Å; P3757-H3780 PolarHBondContact O-CE1 3.42Å; P3757-H3780 PolarHBondContact O-ND1 3.38Å
3758R89Confident81.7Confident95 Ų9567.2 Ų67.236%0.35835%0.345SS..PPolyproline II helixtrans-72.4146.4175.7-66-171.8-177.8-71.6-4110.6V3707 K3753 L3755 R3760V3707-R3758 HydrophobicContact CG2-CB 4.28Å; K3753-R3758 PolarHBondContact O-NH1 2.81Å; K3753-R3758 PolarHBondContact O-NH2 2.98Å; L3755-R3758 WeakPolarHBondContact O-CA 3.3Å; L3755-R3758 PolarHBondContact O-N 3Å; R3758-R3760 WeakPolarHBondContact O-CG 3.44Å; R3758-R3760 PolarHBondContact O-N 3.48Å
3759L92.5Very high80.9Confident5 Ų569.4 Ų69.43%0.02636%0.36CS..PPolyproline II helixtrans-60.1122.7174.8-178.166000110.6T3706 V3707 F3737 T3741 L3755 I3761 H3780T3706-L3759 WeakPolarHBondContact CA-O 3.31Å; T3706-L3759 HydrophobicContact CG2-CB 4.38Å; T3706-L3759 HydrophobicContact CG2-CD2 3.93Å; T3706-L3759 HydrophobicContact CG2-CG 4.46Å; V3707-L3759 PolarHBondContact N-O 3.36Å; F3737-L3759 HydrophobicContact CE1-CD2 3.93Å; F3737-L3759 HydrophobicContact CZ-CD2 4.01Å; T3741-L3759 HydrophobicContact CG2-CD1 4.11Å; L3755-L3759 HydrophobicContact CD2-CB 4.31Å; L3759-I3761 HydrophobicContact CD2-CD1 4.41Å; L3759-I3761 HydrophobicContact CG-CD1 4.19Å; L3759-H3780 HydrophobicContact CD1-CB 4.11Å; L3759-H3780 WeakPolarHBondContact CD1-O 3.24Å
3760R93.7Very high80.8Confident89 Ų8969.2 Ų69.234%0.33636%0.364SS..EExtended strand (participates in β ladder)trans-114.5136.9179-52.8-155.1-178.3-125-1111.9V3707 R3758 H3780 Y3781 L3782V3707-R3760 HydrophobicContact CB-CG 4.28Å; V3707-R3760 CarbonylContact O-C 3.55Å; V3707-R3760 WeakPolarHBondContact O-CA 3.23Å; R3758-R3760 WeakPolarHBondContact O-CG 3.44Å; R3758-R3760 PolarHBondContact O-N 3.48Å; R3760-H3780 PolarHBondContact N-O 2.74Å; R3760-Y3781 HydrophobicContact CB-CD1 3.63Å; R3760-Y3781 HydrophobicContact CB-CE1 3.83Å; R3760-Y3781 HydrophobicContact CB-CG 4.42Å; R3760-Y3781 HydrophobicContact CG-CD1 3.88Å; R3760-Y3781 HydrophobicContact CG-CE1 3.63Å; R3760-Y3781 CarbonylContact O-C 3.37Å; R3760-Y3781 WeakPolarHBondContact O-CA 3.47Å; R3760-L3782 PolarHBondContact O-N 3.37Å
3761I95.1Very high81.1Confident1 Ų169 Ų691%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-107.7122.2179.7-47.1-55000109V3707 S3709 F3712 Y3719 L3722 L3759 L3782 L3784V3707-I3761 PolarHBondContact O-N 3.04Å; S3709-I3761 PolarHBondContact N-O 3.27Å; F3712-I3761 HydrophobicContact CD2-CG2 3.91Å; F3712-I3761 HydrophobicContact CE2-CG2 4.26Å; Y3719-I3761 HydrophobicContact CD2-CB 4.17Å; Y3719-I3761 HydrophobicContact CD2-CG1 4.06Å; Y3719-I3761 HydrophobicContact CD2-CG2 4.35Å; Y3719-I3761 HydrophobicContact CE2-CB 4.39Å; Y3719-I3761 HydrophobicContact CE2-CG1 3.9Å; L3722-I3761 HydrophobicContact CD2-CD1 3.65Å; L3722-I3761 HydrophobicContact CD2-CG1 3.82Å; L3722-I3761 HydrophobicContact CD2-CG2 4.04Å; L3759-I3761 HydrophobicContact CD2-CD1 4.41Å; L3759-I3761 HydrophobicContact CG-CD1 4.19Å; I3761-L3782 WeakPolarHBondContact CA-O 3.33Å; I3761-L3782 HydrophobicContact CD1-CB 3.92Å; I3761-L3782 HydrophobicContact CD1-CD2 3.99Å; I3761-L3782 HydrophobicContact CD1-CG 4.46Å; I3761-L3784 HydrophobicContact CG2-CD1 3.71Å; I3761-L3784 HydrophobicContact CG2-CG 4.17Å
3762V92.6Very high81.4Confident12 Ų1272 Ų727%0.07336%0.361CS..EExtended strand (participates in β ladder)trans-121.4141.8-173.3169.40000110.1S3709 L3710 F3712 Y3781 L3782 K3783 L3784S3709-V3762 WeakPolarHBondContact O-CA 3.49Å; L3710-V3762 HydrophobicContact CB-CB 4.4Å; L3710-V3762 HydrophobicContact CB-CG1 3.72Å; L3710-V3762 HydrophobicContact CB-CG2 4.2Å; L3710-V3762 HydrophobicContact CD1-CG1 3.92Å; L3710-V3762 HydrophobicContact CD1-CG2 4.04Å; L3710-V3762 HydrophobicContact CG-CG1 4.46Å; L3710-V3762 HydrophobicContact CG-CG2 4.49Å; F3712-V3762 WeakPolarHBondContact CE2-O 3.18Å; V3762-Y3781 HydrophobicContact CG2-CD2 4.36Å; V3762-L3782 PolarHBondContact N-O 2.83Å; V3762-K3783 HydrophobicContact CB-CG 4.38Å; V3762-K3783 HydrophobicContact CG1-CG 4.37Å; V3762-K3783 CarbonylContact O-C 3.57Å; V3762-K3783 WeakPolarHBondContact O-CA 3.44Å; V3762-L3784 PolarHBondContact O-N 2.8Å
3763R90.8Very high81.6Confident113 Ų11371.5 Ų71.543%0.42636%0.358SS..EExtended strand (participates in β ladder)trans-74.4129.3174.6-173.6179.8171.8159.26.9110.5L3710 F3712 E3786L3710-R3763 VanDerWaalsContact O-CB 3.3Å; L3710-R3763 WeakPolarHBondContact O-CB 3.36Å; L3710-R3763 PolarHBondContact O-N 3.39Å; L3710-R3763 VanDerWaalsContact O-N 3.12Å; F3712-R3763 HydrophobicContact CD2-CB 4.07Å; F3712-R3763 HydrophobicContact CE2-CB 3.8Å; F3712-R3763 HydrophobicContact CE2-CG 4.38Å; F3712-R3763 HydrophobicContact CZ-CB 4.06Å; F3712-R3763 HydrophobicContact CZ-CG 4.15Å; R3763-E3786 IonicContact CZ-OE1 3.18Å; R3763-E3786 IonicContact CZ-OE2 3.34Å; R3763-E3786 IonicContact NE-OE1 3.27Å; R3763-E3786 PolarHBondContact NE-OE1 3.2Å; R3763-E3786 IonicContact NH1-OE1 3.61Å; R3763-E3786 PolarHBondContact NH1-OE1 3Å; R3763-E3786 IonicContact NH1-OE2 3.02Å; R3763-E3786 IonicContact NH2-OE1 2.66Å; R3763-E3786 PolarHBondContact NH2-OE1 3.49Å; R3763-E3786 VanDerWaalsContact NH2-OE1 3.1Å; R3763-E3786 IonicContact NH2-OE2 3.54Å; R3763-E3786 PolarHBondContact NH2-OE2 3.35Å
3764K87Confident81.7Confident20 Ų2066 Ų669%0.08734%0.335CS..PPolyproline II helixtrans-99.1126.6173.7-170.4174.2170.3-179.80109.3S3769 Y3772 S3774 K3783 L3784 P3785K3764-S3769 WeakPolarHBondContact CE-OG 3.31Å; K3764-S3769 PolarHBondContact NZ-O 3.42Å; K3764-S3769 PolarHBondContact NZ-OG 3.24Å; K3764-Y3772 PolarHBondContact NZ-O 2.85Å; K3764-S3774 PolarHBondContact NZ-OG 3.2Å; K3764-K3783 HydrophobicContact CB-CB 4.16Å; K3764-K3783 HydrophobicContact CD-CB 4.28Å; K3764-K3783 HydrophobicContact CG-CB 4.48Å; K3764-L3784 PolarHBondContact N-O 2.8Å; K3764-P3785 HydrophobicContact CD-CG 4.34Å
3765E79.8Confident82Confident151 Ų15162.2 Ų62.271%0.70632%0.315SS*.PPolyproline II helixtrans-74.5130.6172-66.2-174.4179.900109.8T3767E3765-T3767 PolarHBondContact O-N 3.28Å
3766I69.7Low82.2Confident107 Ų10764.5 Ų64.555%0.54933%0.327SS..G310 helixtrans-71.5-18-169.6-63168.6000112.2N3768 P3785I3766-N3768 VanDerWaalsContact C-N 3.27Å; I3766-N3768 PolarHBondContact O-N 3.45Å; I3766-P3785 HydrophobicContact CG1-CB 4.23Å
3767T61.4Low82.4Confident115 Ų11557 Ų5771%0.70629%0.293SS*.G310 helixtrans-60.4-26.3-162.8470000115.2E3765E3765-T3767 PolarHBondContact O-N 3.28Å
3768N57.7Low82.3Confident155 Ų15557.1 Ų57.183%0.82929%0.294SS*.G310 helixtrans-131-3-172.9-74.5-6.8000117I3766I3766-N3768 VanDerWaalsContact C-N 3.27Å; I3766-N3768 PolarHBondContact O-N 3.45Å
3769S59Low82.1Confident53 Ų5355.2 Ų55.237%0.37129%0.293SS..THydrogen-bonded Turntrans-139.823.3-162.6-173.30000115.7K3764K3764-S3769 WeakPolarHBondContact CE-OG 3.31Å; K3764-S3769 PolarHBondContact NZ-O 3.42Å; K3764-S3769 PolarHBondContact NZ-OG 3.24Å
3770G69.7Low81.9Confident33 Ų3355.2 Ų55.234%0.3429%0.293SS..  trans69.2175.9172.900000114.9Y3772G3770-Y3772 PolarHBondContact O-N 3.34Å
3771P81Confident81.7Confident52 Ų5254.6 Ų54.634%0.33829%0.291SS..SBendtrans-80.11.1-17734.5-36.8000113.3Y3787P3771-Y3787 WeakPolarHBondContact O-CE1 2.95Å; P3771-Y3787 PolarHBondContact O-OH 2.88Å
3772Y86.4Confident81.7Confident76 Ų7654.6 Ų54.630%0.29829%0.291SS..SBendtrans-88141.5-175.1-60.9-72.7000111.3K3764 G3770 R3796 Q3799K3764-Y3772 PolarHBondContact NZ-O 2.85Å; G3770-Y3772 PolarHBondContact O-N 3.34Å; Y3772-R3796 PolarHBondContact OH-NH1 3.46Å; Y3772-R3796 VanDerWaalsContact OH-NH1 3.09Å; Y3772-Q3799 HydrophobicContact CE1-CB 4.17Å
3773P90.2Very high81.6Confident0 Ų056.9 Ų56.90%030%0.3CS..  trans-66.5150.4170.433-35.6000110.1F3740 L3782 K3783 L3784 Y3787 L3797 A3800F3740-P3773 HydrophobicContact CE1-CG 4.44Å; P3773-L3782 HydrophobicContact CB-CD1 4.14Å; P3773-K3783 VanDerWaalsContact CA-O 3.3Å; P3773-K3783 WeakPolarHBondContact CA-O 3.48Å; P3773-L3784 HydrophobicContact CB-CD2 3.45Å; P3773-L3784 VanDerWaalsContact CB-CD2 3.45Å; P3773-L3784 HydrophobicContact CG-CD2 4.49Å; P3773-Y3787 WeakPolarHBondContact CD-OH 3.29Å; P3773-L3797 HydrophobicContact CB-CD1 4.44Å; P3773-L3797 HydrophobicContact CG-CD1 3.88Å; P3773-A3800 HydrophobicContact CG-CB 3.58Å
3774S88.4Confident81.7Confident3 Ų351.6 Ų51.62%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-130.2164.8174.663.20000111.4K3764 K3783 L3808K3764-S3774 PolarHBondContact NZ-OG 3.2Å; S3774-K3783 PolarHBondContact N-O 3.02Å; S3774-K3783 WeakPolarHBondContact O-CB 3.3Å; S3774-K3783 PolarHBondContact O-N 3.07Å; S3774-L3808 WeakPolarHBondContact CB-O 3.4Å
3775V88.5Confident81.8Confident6 Ų650.8 Ų50.84%0.03628%0.277CS..EExtended strand (participates in β ladder)trans-147.6127.5-165.462.80000114.2F3740 T3741 T3777 Y3781 N3809F3740-V3775 HydrophobicContact CD1-CG1 4.37Å; F3740-V3775 HydrophobicContact CD2-CG1 4.06Å; F3740-V3775 HydrophobicContact CE1-CB 4.17Å; F3740-V3775 HydrophobicContact CE1-CG1 4.07Å; F3740-V3775 HydrophobicContact CE2-CG1 3.74Å; F3740-V3775 HydrophobicContact CG-CG1 4.36Å; F3740-V3775 HydrophobicContact CZ-CB 4.19Å; F3740-V3775 HydrophobicContact CZ-CG1 3.74Å; F3740-V3775 WeakPolarHBondContact O-CG1 3.2Å; F3740-V3775 WeakPolarHBondContact O-CG2 3.1Å; T3741-V3775 HydrophobicContact CG2-CG2 4.49Å; V3775-T3777 HydrophobicContact CG1-CG2 4.18Å; V3775-T3777 HydrophobicContact CG2-CG2 4.17Å; V3775-T3777 PolarHBondContact O-N 2.9Å; V3775-Y3781 VanDerWaalsContact CA-O 3.26Å; V3775-Y3781 WeakPolarHBondContact CA-O 3.37Å; V3775-Y3781 WeakPolarHBondContact CG2-O 3.36Å; V3775-N3809 VanDerWaalsContact C-OD1 3.3Å; V3775-N3809 PolarHBondContact N-OD1 3.27Å; V3775-N3809 VanDerWaalsContact O-CG 3.25Å; V3775-N3809 PolarHBondContact O-ND2 3.34Å; V3775-N3809 PolarHBondContact O-OD1 3.17Å
3776N87.8Confident82.3Confident63 Ų6347.7 Ų47.734%0.33726%0.263SS..EExtended strand (participates in β ladder)trans-94.192.8164.1-63.441.7000108.8C3778 V3779 H3780 Y3781 K3783N3776-C3778 VanDerWaalsContact C-N 3.33Å; N3776-C3778 PolarHBondContact O-N 2.97Å; N3776-V3779 HydrophobicContact CB-CG2 3.78Å; N3776-V3779 PolarHBondContact O-N 3.09Å; N3776-H3780 PolarHBondContact O-N 2.82Å; N3776-H3780 VanDerWaalsContact O-N 3.09Å; N3776-Y3781 PolarHBondContact N-O 3.35Å; N3776-Y3781 PolarHBondContact O-N 3.23Å; N3776-Y3781 VanDerWaalsContact O-N 3.07Å; N3776-K3783 WeakPolarHBondContact OD1-CE 3.33Å; N3776-K3783 PolarHBondContact OD1-NZ 3.41Å
3777T84.9Confident83.4Confident7 Ų743.2 Ų43.24%0.04324%0.239CC..G310 helixtrans-58.8-36.9-176.344.80000113.3G3264 F3740 V3775 V3779 H3780 F3806G3264-T3777 VanDerWaalsContact CA-OG1 3.28Å; G3264-T3777 WeakPolarHBondContact CA-OG1 3.36Å; F3740-T3777 VanDerWaalsContact O-CG2 3.31Å; F3740-T3777 WeakPolarHBondContact O-CG2 3.3Å; V3775-T3777 HydrophobicContact CG1-CG2 4.18Å; V3775-T3777 HydrophobicContact CG2-CG2 4.17Å; V3775-T3777 PolarHBondContact O-N 2.9Å; T3777-V3779 PolarHBondContact O-N 2.97Å; T3777-V3779 VanDerWaalsContact O-N 3.11Å; T3777-H3780 PolarHBondContact O-CD2 3.41Å; T3777-H3780 PolarHBondContact O-N 2.89Å; T3777-F3806 HydrophobicContact CG2-CE1 4.02Å
3778C82.7Confident84.7Confident44 Ų4446.6 Ų46.630%0.29725%0.246SC..G310 helixtrans-61-25.9-179.4-560000114.7G3264 N3776G3264-C3778 PolarHBondContact N-SG 2.92Å; N3776-C3778 VanDerWaalsContact C-N 3.33Å; N3776-C3778 PolarHBondContact O-N 2.97Å
3779V84.5Confident86.3Confident54 Ų5441.6 Ų41.633%0.32722%0.224SC..G310 helixtrans-117.43.9-179.4-68.50000112.8N3776 T3777 Y3781N3776-V3779 HydrophobicContact CB-CG2 3.78Å; N3776-V3779 PolarHBondContact O-N 3.09Å; T3777-V3779 PolarHBondContact O-N 2.97Å; T3777-V3779 VanDerWaalsContact O-N 3.11Å; V3779-Y3781 HydrophobicContact CB-CD1 3.88Å; V3779-Y3781 HydrophobicContact CB-CE1 3.86Å; V3779-Y3781 HydrophobicContact CB-CG 4.4Å; V3779-Y3781 HydrophobicContact CG2-CD1 3.54Å; V3779-Y3781 HydrophobicContact CG2-CD2 3.9Å; V3779-Y3781 HydrophobicContact CG2-CE1 3.87Å; V3779-Y3781 HydrophobicContact CG2-CE2 4.24Å; V3779-Y3781 HydrophobicContact CG2-CG 3.55Å; V3779-Y3781 WeakPolarHBondContact O-CD1 3.3Å; V3779-Y3781 WeakPolarHBondContact O-CE1 3.34Å
3780H88.6Confident88Confident6 Ų642.7 Ų42.73%0.02822%0.223CC..THydrogen-bonded Turntrans53.347.8-173.8-50153.6000112.7P3757 L3759 R3760 N3776 T3777P3757-H3780 PolarHBondContact O-CE1 3.42Å; P3757-H3780 PolarHBondContact O-ND1 3.38Å; L3759-H3780 HydrophobicContact CD1-CB 4.11Å; L3759-H3780 WeakPolarHBondContact CD1-O 3.24Å; R3760-H3780 PolarHBondContact N-O 2.74Å; N3776-H3780 PolarHBondContact O-N 2.82Å; N3776-H3780 VanDerWaalsContact O-N 3.09Å; T3777-H3780 PolarHBondContact O-CD2 3.41Å; T3777-H3780 PolarHBondContact O-N 2.89Å
3781Y91Very high89.1Confident76 Ų7649.2 Ų49.230%0.29824%0.242SC..EExtended strand (participates in β ladder)trans-99111.4177.2-7413.7000110.3R3760 V3762 V3775 N3776 V3779R3760-Y3781 HydrophobicContact CB-CD1 3.63Å; R3760-Y3781 HydrophobicContact CB-CE1 3.83Å; R3760-Y3781 HydrophobicContact CB-CG 4.42Å; R3760-Y3781 HydrophobicContact CG-CD1 3.88Å; R3760-Y3781 HydrophobicContact CG-CE1 3.63Å; R3760-Y3781 CarbonylContact O-C 3.37Å; R3760-Y3781 WeakPolarHBondContact O-CA 3.47Å; V3762-Y3781 HydrophobicContact CG2-CD2 4.36Å; V3775-Y3781 VanDerWaalsContact CA-O 3.26Å; V3775-Y3781 WeakPolarHBondContact CA-O 3.37Å; V3775-Y3781 WeakPolarHBondContact CG2-O 3.36Å; N3776-Y3781 PolarHBondContact N-O 3.35Å; N3776-Y3781 PolarHBondContact O-N 3.23Å; N3776-Y3781 VanDerWaalsContact O-N 3.07Å; V3779-Y3781 HydrophobicContact CB-CD1 3.88Å; V3779-Y3781 HydrophobicContact CB-CE1 3.86Å; V3779-Y3781 HydrophobicContact CB-CG 4.4Å; V3779-Y3781 HydrophobicContact CG2-CD1 3.54Å; V3779-Y3781 HydrophobicContact CG2-CD2 3.9Å; V3779-Y3781 HydrophobicContact CG2-CE1 3.87Å; V3779-Y3781 HydrophobicContact CG2-CE2 4.24Å; V3779-Y3781 HydrophobicContact CG2-CG 3.55Å; V3779-Y3781 WeakPolarHBondContact O-CD1 3.3Å; V3779-Y3781 WeakPolarHBondContact O-CE1 3.34Å
3782L93.3Very high89.6Confident0 Ų049.9 Ų49.90%024%0.241CC..EExtended strand (participates in β ladder)trans-92.5113.6170.6-178.662.9000109.5L3722 F3737 F3740 T3741 R3760 I3761 V3762 P3773 L3784L3722-L3782 HydrophobicContact CD1-CD2 4.39Å; L3722-L3782 HydrophobicContact CD2-CD2 4.44Å; F3737-L3782 HydrophobicContact CE2-CD2 3.71Å; F3737-L3782 HydrophobicContact CZ-CD2 3.98Å; F3740-L3782 HydrophobicContact CD1-CD1 4.33Å; F3740-L3782 HydrophobicContact CE1-CD1 3.72Å; T3741-L3782 HydrophobicContact CG2-CB 4.35Å; T3741-L3782 HydrophobicContact CG2-CD1 4.19Å; T3741-L3782 HydrophobicContact CG2-CD2 4.31Å; R3760-L3782 PolarHBondContact O-N 3.37Å; I3761-L3782 WeakPolarHBondContact CA-O 3.33Å; I3761-L3782 HydrophobicContact CD1-CB 3.92Å; I3761-L3782 HydrophobicContact CD1-CD2 3.99Å; I3761-L3782 HydrophobicContact CD1-CG 4.46Å; V3762-L3782 PolarHBondContact N-O 2.83Å; P3773-L3782 HydrophobicContact CB-CD1 4.14Å; L3782-L3784 HydrophobicContact CD1-CD2 3.98Å; L3782-L3784 HydrophobicContact CD2-CD1 4.17Å; L3782-L3784 HydrophobicContact CD2-CD2 3.81Å; L3782-L3784 HydrophobicContact CD2-CG 4.11Å; L3782-L3784 HydrophobicContact CG-CD1 4.49Å; L3782-L3784 HydrophobicContact CG-CD2 3.65Å; L3782-L3784 HydrophobicContact CG-CG 3.92Å
3783K92.2Very high90Very high61 Ų6146.3 Ų46.327%0.26523%0.227SC..EExtended strand (participates in β ladder)trans-91.8111.4177.2-63.4170.3179.5161.60109.1V3762 K3764 P3773 S3774 N3776V3762-K3783 HydrophobicContact CB-CG 4.38Å; V3762-K3783 HydrophobicContact CG1-CG 4.37Å; V3762-K3783 CarbonylContact O-C 3.57Å; V3762-K3783 WeakPolarHBondContact O-CA 3.44Å; K3764-K3783 HydrophobicContact CB-CB 4.16Å; K3764-K3783 HydrophobicContact CD-CB 4.28Å; K3764-K3783 HydrophobicContact CG-CB 4.48Å; P3773-K3783 VanDerWaalsContact CA-O 3.3Å; P3773-K3783 WeakPolarHBondContact CA-O 3.48Å; S3774-K3783 PolarHBondContact N-O 3.02Å; S3774-K3783 WeakPolarHBondContact O-CB 3.3Å; S3774-K3783 PolarHBondContact O-N 3.07Å; N3776-K3783 WeakPolarHBondContact OD1-CE 3.33Å; N3776-K3783 PolarHBondContact OD1-NZ 3.41Å
3784L91.9Very high90.1Very high1 Ų149.7 Ų49.71%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-110.6130.3-177.7-61.7-177.4000111.6F3712 L3722 I3761 V3762 K3764 P3773 L3782F3712-L3784 HydrophobicContact CE2-CB 4.06Å; F3712-L3784 HydrophobicContact CZ-CB 4.39Å; L3722-L3784 HydrophobicContact CB-CD1 4.37Å; L3722-L3784 HydrophobicContact CD1-CD1 4Å; L3722-L3784 HydrophobicContact CD2-CD1 3.73Å; L3722-L3784 HydrophobicContact CG-CD1 4.24Å; I3761-L3784 HydrophobicContact CG2-CD1 3.71Å; I3761-L3784 HydrophobicContact CG2-CG 4.17Å; V3762-L3784 PolarHBondContact O-N 2.8Å; K3764-L3784 PolarHBondContact N-O 2.8Å; P3773-L3784 HydrophobicContact CB-CD2 3.45Å; P3773-L3784 VanDerWaalsContact CB-CD2 3.45Å; P3773-L3784 HydrophobicContact CG-CD2 4.49Å; L3782-L3784 HydrophobicContact CD1-CD2 3.98Å; L3782-L3784 HydrophobicContact CD2-CD1 4.17Å; L3782-L3784 HydrophobicContact CD2-CD2 3.81Å; L3782-L3784 HydrophobicContact CD2-CG 4.11Å; L3782-L3784 HydrophobicContact CG-CD1 4.49Å; L3782-L3784 HydrophobicContact CG-CD2 3.65Å; L3782-L3784 HydrophobicContact CG-CG 3.92Å
3785P90.3Very high90.3Very high3 Ų352.7 Ų52.72%0.01926%0.258CS..  trans-59.5162.4159.4-22.334.3000111.8K3764 I3766 Y3787K3764-P3785 HydrophobicContact CD-CG 4.34Å; I3766-P3785 HydrophobicContact CG1-CB 4.23Å; P3785-Y3787 HydrophobicContact CB-CE1 4.4Å; P3785-Y3787 WeakPolarHBondContact CD-OH 3.25Å; P3785-Y3787 WeakPolarHBondContact O-CD2 3.39Å; P3785-Y3787 PolarHBondContact O-N 2.97Å
3786E89.9Confident90.5Very high87 Ų8755.9 Ų55.941%0.40727%0.269SS..  trans-79.5106.1168.9-71.3-171.1159.800110.3F3712 R3763F3712-E3786 HydrophobicContact CE1-CG 4.38Å; R3763-E3786 IonicContact CZ-OE1 3.18Å; R3763-E3786 IonicContact CZ-OE2 3.34Å; R3763-E3786 IonicContact NE-OE1 3.27Å; R3763-E3786 PolarHBondContact NE-OE1 3.2Å; R3763-E3786 IonicContact NH1-OE1 3.61Å; R3763-E3786 PolarHBondContact NH1-OE1 3Å; R3763-E3786 IonicContact NH1-OE2 3.02Å; R3763-E3786 IonicContact NH2-OE1 2.66Å; R3763-E3786 PolarHBondContact NH2-OE1 3.49Å; R3763-E3786 VanDerWaalsContact NH2-OE1 3.1Å; R3763-E3786 IonicContact NH2-OE2 3.54Å; R3763-E3786 PolarHBondContact NH2-OE2 3.35Å
3787Y91.4Very high90.6Very high13 Ų1353 Ų535%0.05125%0.254CS..  trans-86.1152.1175.4-62.4-68.9000112T3718 P3771 P3773 P3785 E3792 L3793 R3796T3718-Y3787 HydrophobicContact CG2-CD2 4.17Å; P3771-Y3787 WeakPolarHBondContact O-CE1 2.95Å; P3771-Y3787 PolarHBondContact O-OH 2.88Å; P3773-Y3787 WeakPolarHBondContact CD-OH 3.29Å; P3785-Y3787 HydrophobicContact CB-CE1 4.4Å; P3785-Y3787 WeakPolarHBondContact CD-OH 3.25Å; P3785-Y3787 WeakPolarHBondContact O-CD2 3.39Å; P3785-Y3787 PolarHBondContact O-N 2.97Å; Y3787-E3792 HydrophobicContact CD1-CG 3.9Å; Y3787-L3793 HydrophobicContact CD2-CB 3.79Å; Y3787-L3793 HydrophobicContact CD2-CD1 3.82Å; Y3787-L3793 HydrophobicContact CD2-CG 3.64Å; Y3787-L3793 HydrophobicContact CE2-CB 4.43Å; Y3787-L3793 HydrophobicContact CE2-CG 4.05Å; Y3787-L3793 HydrophobicContact CG-CB 4Å; Y3787-L3793 HydrophobicContact CG-CG 4.36Å; Y3787-R3796 HydrophobicContact CE1-CB 4.02Å; Y3787-R3796 HydrophobicContact CE1-CG 3.94Å
3788Q88.6Confident90.9Very high185 Ų18554.2 Ų54.286%0.86426%0.26SS*.SBendtrans-90.9-25.5-179.8-62.4-177.34.400113E3792Q3788-E3792 PolarHBondContact N-OE2 3.15Å
3789S92.6Very high91.1Very high51 Ų5155.9 Ų55.936%0.35726%0.263SS..  trans-140.4153-177.871.90000113.4M3721 K3791 E3792 L3793M3721-S3789 VanDerWaalsContact CE-O 3.3Å; M3721-S3789 WeakPolarHBondContact CE-O 3.41Å; S3789-K3791 PolarHBondContact O-N 3.03Å; S3789-E3792 PolarHBondContact O-N 3.33Å; S3789-E3792 VanDerWaalsContact OG-CB 3.28Å; S3789-E3792 WeakPolarHBondContact OG-CB 3.31Å; S3789-E3792 PolarHBondContact OG-N 3.44Å; S3789-L3793 PolarHBondContact O-N 3.34Å; S3789-L3793 VanDerWaalsContact O-N 3.09Å
3790E93.4Very high91.2Very high75 Ų7553.3 Ų53.335%0.3525%0.248SC..Hα-helixtrans-63.6-34.7178.3-69.7-175.5177.900111.6M3721 N3724 V3725 L3793 R3794M3721-E3790 HydrophobicContact CB-CG 3.75Å; M3721-E3790 HydrophobicContact CE-CG 4.22Å; M3721-E3790 HydrophobicContact CG-CG 3.68Å; N3724-E3790 WeakPolarHBondContact CB-OE1 3.12Å; N3724-E3790 PolarHBondContact ND2-OE1 3.09Å; V3725-E3790 HydrophobicContact CG2-CB 4.1Å; E3790-L3793 PolarHBondContact O-N 2.86Å; E3790-R3794 WeakPolarHBondContact O-CB 3.5Å; E3790-R3794 PolarHBondContact O-N 2.98Å
3791K93.1Very high91Very high170 Ų17054.4 Ų54.474%0.73926%0.255SS*.Hα-helixtrans-62.7-46.6176.5-172.7177.6-179.41790111.1S3789 R3794 T3795S3789-K3791 PolarHBondContact O-N 3.03Å; K3791-R3794 PolarHBondContact O-N 3.26Å; K3791-T3795 PolarHBondContact O-N 3.21Å; K3791-T3795 PolarHBondContact O-OG1 2.71Å; K3791-T3795 VanDerWaalsContact O-OG1 3.06Å
3792E92.3Very high90.4Very high67 Ų6758.1 Ų58.131%0.31327%0.273SS..Hα-helixtrans-61.4-47.5176.6-176.1-173.8-171.900111.4Y3787 Q3788 S3789 R3794 T3795 R3796Y3787-E3792 HydrophobicContact CD1-CG 3.9Å; Q3788-E3792 PolarHBondContact N-OE2 3.15Å; S3789-E3792 PolarHBondContact O-N 3.33Å; S3789-E3792 VanDerWaalsContact OG-CB 3.28Å; S3789-E3792 WeakPolarHBondContact OG-CB 3.31Å; S3789-E3792 PolarHBondContact OG-N 3.44Å; E3792-R3794 PolarHBondContact O-N 3.39Å; E3792-T3795 PolarHBondContact O-N 3.32Å; E3792-R3796 HydrophobicContact CG-CG 4.4Å; E3792-R3796 WeakPolarHBondContact O-CB 3.46Å; E3792-R3796 WeakPolarHBondContact O-CG 3.24Å; E3792-R3796 PolarHBondContact O-N 2.9Å
3793L93.6Very high89.6Confident0 Ų063.5 Ų63.50%030%0.298CS..Hα-helixtrans-57.2-49.4176.8-172.7159.2000110.7T3718 M3721 L3722 V3725 Y3787 S3789 E3790 T3795 R3796 L3797T3718-L3793 HydrophobicContact CG2-CD1 4.16Å; M3721-L3793 HydrophobicContact CB-CD1 4.14Å; L3722-L3793 HydrophobicContact CB-CD1 4.16Å; L3722-L3793 HydrophobicContact CD1-CD2 3.99Å; V3725-L3793 HydrophobicContact CB-CD2 4.07Å; V3725-L3793 HydrophobicContact CG1-CD2 4.02Å; V3725-L3793 HydrophobicContact CG2-CD2 4.03Å; Y3787-L3793 HydrophobicContact CD2-CB 3.79Å; Y3787-L3793 HydrophobicContact CD2-CD1 3.82Å; Y3787-L3793 HydrophobicContact CD2-CG 3.64Å; Y3787-L3793 HydrophobicContact CE2-CB 4.43Å; Y3787-L3793 HydrophobicContact CE2-CG 4.05Å; Y3787-L3793 HydrophobicContact CG-CB 4Å; Y3787-L3793 HydrophobicContact CG-CG 4.36Å; S3789-L3793 PolarHBondContact O-N 3.34Å; S3789-L3793 VanDerWaalsContact O-N 3.09Å; E3790-L3793 PolarHBondContact O-N 2.86Å; L3793-T3795 PolarHBondContact O-N 3.19Å; L3793-R3796 PolarHBondContact O-N 3.19Å; L3793-L3797 HydrophobicContact CD2-CB 4.48Å; L3793-L3797 HydrophobicContact CD2-CD2 4.13Å; L3793-L3797 WeakPolarHBondContact O-CB 3.36Å; L3793-L3797 PolarHBondContact O-N 3.25Å
3794R94.2Very high88.5Confident71 Ų7163 Ų6327%0.26830%0.297SS..Hα-helixtrans-58-50178.4178.6169.8-176124.7-1.1111.5V3725 N3728 F3729 E3733 E3790 K3791 E3792 L3797 L3798V3725-R3794 HydrophobicContact CG1-CB 3.84Å; V3725-R3794 HydrophobicContact CG1-CG 4.14Å; V3725-R3794 HydrophobicContact CG2-CB 4.11Å; N3728-R3794 PolarHBondContact O-NH1 2.88Å; F3729-R3794 HydrophobicContact CE1-CG 4.21Å; E3733-R3794 IonicContact OE1-CZ 3.71Å; E3733-R3794 IonicContact OE1-NE 3.22Å; E3733-R3794 IonicContact OE1-NH2 2.73Å; E3733-R3794 PolarHBondContact OE1-NH2 3.46Å; E3733-R3794 IonicContact OE2-CZ 2.78Å; E3733-R3794 IonicContact OE2-NH2 3.38Å; E3733-R3794 PolarHBondContact OE2-NH2 2.99Å; E3790-R3794 WeakPolarHBondContact O-CB 3.5Å; E3790-R3794 PolarHBondContact O-N 2.98Å; K3791-R3794 PolarHBondContact O-N 3.26Å; E3792-R3794 PolarHBondContact O-N 3.39Å; R3794-L3797 PolarHBondContact O-N 2.66Å; R3794-L3798 HydrophobicContact CG-CD1 3.8Å; R3794-L3798 HydrophobicContact CG-CG 4.41Å; R3794-L3798 WeakPolarHBondContact O-CB 3.44Å; R3794-L3798 WeakPolarHBondContact O-CG 3.34Å; R3794-L3798 PolarHBondContact O-N 2.85Å
3795T92.1Very high87.3Confident67 Ų6763.8 Ų63.841%0.41131%0.306SS..Hα-helixtrans-62-47-178.9-60.70000111.7K3791 E3792 L3793 Q3799K3791-T3795 PolarHBondContact O-N 3.21Å; K3791-T3795 PolarHBondContact O-OG1 2.71Å; K3791-T3795 VanDerWaalsContact O-OG1 3.06Å; E3792-T3795 PolarHBondContact O-N 3.32Å; L3793-T3795 PolarHBondContact O-N 3.19Å; T3795-Q3799 WeakPolarHBondContact O-CB 3.03Å; T3795-Q3799 VanDerWaalsContact O-CG 3.29Å; T3795-Q3799 WeakPolarHBondContact O-CG 3.48Å; T3795-Q3799 PolarHBondContact O-N 2.83Å
3796R91.4Very high86.2Confident73 Ų7364.8 Ų64.828%0.27531%0.31SS..Hα-helixtrans-68.5-36.6-179.7-65-62.3-173.6178.90.9112.6Y3772 Y3787 E3792 L3793 A3800Y3772-R3796 PolarHBondContact OH-NH1 3.46Å; Y3772-R3796 VanDerWaalsContact OH-NH1 3.09Å; Y3787-R3796 HydrophobicContact CE1-CB 4.02Å; Y3787-R3796 HydrophobicContact CE1-CG 3.94Å; E3792-R3796 HydrophobicContact CG-CG 4.4Å; E3792-R3796 WeakPolarHBondContact O-CB 3.46Å; E3792-R3796 WeakPolarHBondContact O-CG 3.24Å; E3792-R3796 PolarHBondContact O-N 2.9Å; L3793-R3796 PolarHBondContact O-N 3.19Å; R3796-A3800 WeakPolarHBondContact O-CB 3.36Å; R3796-A3800 PolarHBondContact O-N 3.33Å
3797L91.6Very high85.2Confident1 Ų166.9 Ų66.91%0.00532%0.315CS..Hα-helixtrans-66.6-47176.6-175.261000111.3L3722 L3726 F3729 F3737 F3740 P3773 L3793 R3794 Q3799 A3800 T3801L3722-L3797 HydrophobicContact CD1-CD2 4.02Å; L3726-L3797 HydrophobicContact CD2-CD2 4.44Å; F3729-L3797 HydrophobicContact CE2-CD2 4.2Å; F3729-L3797 HydrophobicContact CZ-CD2 3.9Å; F3729-L3797 HydrophobicContact CZ-CG 4.49Å; F3737-L3797 HydrophobicContact CD2-CD1 4.14Å; F3737-L3797 HydrophobicContact CD2-CD2 3.97Å; F3737-L3797 HydrophobicContact CD2-CG 4.29Å; F3737-L3797 HydrophobicContact CE2-CD1 4.16Å; F3737-L3797 HydrophobicContact CE2-CD2 4.04Å; F3740-L3797 HydrophobicContact CE1-CD1 4.44Å; P3773-L3797 HydrophobicContact CB-CD1 4.44Å; P3773-L3797 HydrophobicContact CG-CD1 3.88Å; L3793-L3797 HydrophobicContact CD2-CB 4.48Å; L3793-L3797 HydrophobicContact CD2-CD2 4.13Å; L3793-L3797 WeakPolarHBondContact O-CB 3.36Å; L3793-L3797 PolarHBondContact O-N 3.25Å; R3794-L3797 PolarHBondContact O-N 2.66Å; L3797-Q3799 VanDerWaalsContact C-N 3.33Å; L3797-Q3799 PolarHBondContact O-N 3.17Å; L3797-A3800 PolarHBondContact O-N 3.41Å; L3797-T3801 WeakPolarHBondContact O-CG2 3.42Å; L3797-T3801 PolarHBondContact O-N 3.05Å
3798L90.2Very high84Confident34 Ų3468.3 Ų68.318%0.17832%0.323CS..Hα-helixtrans-66.6-33.1177.2-69.9174.5000112.7F3729 E3733 R3794 T3801 K3802F3729-L3798 HydrophobicContact CE1-CD2 4.17Å; F3729-L3798 HydrophobicContact CE1-CG 4.38Å; F3729-L3798 HydrophobicContact CZ-CD2 3.94Å; F3729-L3798 HydrophobicContact CZ-CG 4.3Å; E3733-L3798 HydrophobicContact CB-CD2 4.2Å; E3733-L3798 HydrophobicContact CG-CD2 3.89Å; R3794-L3798 HydrophobicContact CG-CD1 3.8Å; R3794-L3798 HydrophobicContact CG-CG 4.41Å; R3794-L3798 WeakPolarHBondContact O-CB 3.44Å; R3794-L3798 WeakPolarHBondContact O-CG 3.34Å; R3794-L3798 PolarHBondContact O-N 2.85Å; L3798-T3801 WeakPolarHBondContact CA-OG1 3.39Å; L3798-T3801 PolarHBondContact O-N 3.32Å; L3798-T3801 PolarHBondContact O-OG1 3.32Å; L3798-K3802 WeakPolarHBondContact O-CG 3.47Å; L3798-K3802 PolarHBondContact O-N 3.17Å
3799Q86.6Confident82.6Confident79 Ų7963.5 Ų63.537%0.36930%0.304SS..Hα-helixtrans-63.6-45.5170.8-77.8175.7-2400111.2Y3772 T3795 L3797 T3801 K3802 E3803Y3772-Q3799 HydrophobicContact CE1-CB 4.17Å; T3795-Q3799 WeakPolarHBondContact O-CB 3.03Å; T3795-Q3799 VanDerWaalsContact O-CG 3.29Å; T3795-Q3799 WeakPolarHBondContact O-CG 3.48Å; T3795-Q3799 PolarHBondContact O-N 2.83Å; L3797-Q3799 VanDerWaalsContact C-N 3.33Å; L3797-Q3799 PolarHBondContact O-N 3.17Å; Q3799-T3801 VanDerWaalsContact C-N 3.3Å; Q3799-T3801 PolarHBondContact O-N 2.8Å; Q3799-K3802 WeakPolarHBondContact O-CB 3.2Å; Q3799-K3802 PolarHBondContact O-N 2.88Å; Q3799-E3803 PolarHBondContact O-N 3.13Å
3800A87.1Confident82.1Confident0 Ų064.2 Ų64.20%030%0.301CS..Hα-helixtrans-64.5-32.2178.100000113.2F3740 P3773 R3796 L3797 K3802 E3803 L3808F3740-A3800 HydrophobicContact CE1-CB 4.39Å; F3740-A3800 HydrophobicContact CE2-CB 4.11Å; F3740-A3800 WeakPolarHBondContact CE2-O 3.06Å; F3740-A3800 HydrophobicContact CZ-CB 3.83Å; P3773-A3800 HydrophobicContact CG-CB 3.58Å; R3796-A3800 WeakPolarHBondContact O-CB 3.36Å; R3796-A3800 PolarHBondContact O-N 3.33Å; L3797-A3800 PolarHBondContact O-N 3.41Å; A3800-K3802 PolarHBondContact O-N 2.86Å; A3800-E3803 PolarHBondContact O-N 3.16Å; A3800-L3808 HydrophobicContact CB-CD1 3.74Å
3801T84.9Confident81.5Confident29 Ų2963.6 Ų63.618%0.17830%0.298CS..Hα-helixtrans-69.6-16.2174.456.90000113.7A3736 F3740 L3797 L3798 Q3799A3736-T3801 HydrophobicContact CB-CG2 4.42Å; F3740-T3801 HydrophobicContact CB-CG2 3.76Å; F3740-T3801 HydrophobicContact CD1-CG2 4.26Å; F3740-T3801 HydrophobicContact CG-CG2 4.03Å; L3797-T3801 WeakPolarHBondContact O-CG2 3.42Å; L3797-T3801 PolarHBondContact O-N 3.05Å; L3798-T3801 WeakPolarHBondContact CA-OG1 3.39Å; L3798-T3801 PolarHBondContact O-N 3.32Å; L3798-T3801 PolarHBondContact O-OG1 3.32Å; Q3799-T3801 VanDerWaalsContact C-N 3.3Å; Q3799-T3801 PolarHBondContact O-N 2.8Å
3802K78.4Confident80.9Confident154 Ų15457.7 Ų57.767%0.6727%0.274SS*.Hα-helixtrans-91.6-14.2177.3-69.5-178.5178.6-161.30113.1L3798 Q3799 A3800L3798-K3802 WeakPolarHBondContact O-CG 3.47Å; L3798-K3802 PolarHBondContact O-N 3.17Å; Q3799-K3802 WeakPolarHBondContact O-CB 3.2Å; Q3799-K3802 PolarHBondContact O-N 2.88Å; A3800-K3802 PolarHBondContact O-N 2.86Å
3803E75.3Confident80.2Confident113 Ų11357.1 Ų57.153%0.52827%0.272SS..SBendtrans-69.4140-179.7-73-65.2161.500111.5Q3799 A3800 L3808Q3799-E3803 PolarHBondContact O-N 3.13Å; A3800-E3803 PolarHBondContact O-N 3.16Å; E3803-L3808 HydrophobicContact CB-CD1 4.04Å; E3803-L3808 HydrophobicContact CB-CG 4.42Å; E3803-L3808 HydrophobicContact CG-CD1 3.96Å; E3803-L3808 HydrophobicContact CG-CG 4.36Å
3804I69.7Low79.4Confident50 Ų5060.7 Ų60.726%0.25629%0.289SS..  trans-84.7127.3-176.4-59.7-178.8000109L3203 V3307 Y3807L3203-I3804 HydrophobicContact CD1-CG2 4.22Å; V3307-I3804 HydrophobicContact CB-CG1 4.08Å; V3307-I3804 HydrophobicContact CG1-CB 3.51Å; V3307-I3804 HydrophobicContact CG1-CD1 3.65Å; V3307-I3804 HydrophobicContact CG1-CG1 3.26Å; V3307-I3804 HydrophobicContact CG1-CG2 3.12Å; V3307-I3804 HydrophobicContact CG2-CB 4.49Å; V3307-I3804 HydrophobicContact CG2-CG1 3.75Å; I3804-Y3807 WeakPolarHBondContact O-CD2 3.2Å; I3804-Y3807 WeakPolarHBondContact O-CE2 3.29Å
3805G66.5Low78.4Confident18 Ų1860 Ų6019%0.18629%0.29CS..THydrogen-bonded Turntrans74.6-173.8173.700000114.6E3258 Y3807E3258-G3805 WeakPolarHBondContact OE2-CA 3.49Å; G3805-Y3807 VanDerWaalsContact C-N 3.34Å; G3805-Y3807 PolarHBondContact O-N 3Å
3806F68.1Low77.4Confident23 Ų2359.5 Ų59.510%0.10128%0.281CS..THydrogen-bonded Turntrans-92.122-171.3-61.1-75.1000114.4F3255 E3258 P3265 E3268 T3777 L3808 N3809F3255-F3806 HydrophobicContact CD2-CE2 4.05Å; F3255-F3806 HydrophobicContact CE2-CE2 4.21Å; E3258-F3806 VanDerWaalsContact OE2-CD2 3.3Å; E3258-F3806 WeakPolarHBondContact OE2-CD2 3.22Å; E3258-F3806 PolarHBondContact OE2-N 3.12Å; P3265-F3806 HydrophobicContact CB-CE2 3.91Å; P3265-F3806 HydrophobicContact CB-CZ 4.29Å; P3265-F3806 HydrophobicContact CG-CD2 4.4Å; P3265-F3806 HydrophobicContact CG-CE2 3.82Å; P3265-F3806 HydrophobicContact CG-CZ 4.07Å; E3268-F3806 HydrophobicContact CB-CZ 4.16Å; E3268-F3806 HydrophobicContact CG-CZ 4.37Å; T3777-F3806 HydrophobicContact CG2-CE1 4.02Å; F3806-L3808 VanDerWaalsContact C-N 3.27Å; F3806-L3808 PolarHBondContact O-N 3.43Å; F3806-N3809 PolarHBondContact O-N 3.17Å
3807Y69.1Low76.3Confident132 Ų13258.5 Ų58.552%0.51828%0.282SS..THydrogen-bonded Turntrans-69.3-13.7-171.2-53.4-64.3000115.8E3258 I3804 G3805 N3809E3258-Y3807 HydrophobicContact CG-CE1 3.89Å; I3804-Y3807 WeakPolarHBondContact O-CD2 3.2Å; I3804-Y3807 WeakPolarHBondContact O-CE2 3.29Å; G3805-Y3807 VanDerWaalsContact C-N 3.34Å; G3805-Y3807 PolarHBondContact O-N 3Å; Y3807-N3809 VanDerWaalsContact C-N 3.3Å
3808L65.8Low75Confident43 Ų4363.3 Ų63.323%0.22531%0.305CS..THydrogen-bonded Turntrans-82.7-6.8177.7-69.3178.9000113.7F3740 S3774 A3800 E3803 F3806F3740-L3808 HydrophobicContact CE2-CD1 4.38Å; S3774-L3808 WeakPolarHBondContact CB-O 3.4Å; A3800-L3808 HydrophobicContact CB-CD1 3.74Å; E3803-L3808 HydrophobicContact CB-CD1 4.04Å; E3803-L3808 HydrophobicContact CB-CG 4.42Å; E3803-L3808 HydrophobicContact CG-CD1 3.96Å; E3803-L3808 HydrophobicContact CG-CG 4.36Å; F3806-L3808 VanDerWaalsContact C-N 3.27Å; F3806-L3808 PolarHBondContact O-N 3.43Å
3809N58.8Low73.7Confident84 Ų8465.9 Ų65.945%0.44932%0.316SS..  trans-80.40174.4-75.1-27.7000111.7V3775 F3806 Y3807V3775-N3809 VanDerWaalsContact C-OD1 3.3Å; V3775-N3809 PolarHBondContact N-OD1 3.27Å; V3775-N3809 VanDerWaalsContact O-CG 3.25Å; V3775-N3809 PolarHBondContact O-ND2 3.34Å; V3775-N3809 PolarHBondContact O-OD1 3.17Å; F3806-N3809 PolarHBondContact O-N 3.17Å; Y3807-N3809 VanDerWaalsContact C-N 3.3Å

Retrieved 3,809 of 3,809 residues in 5205.5 ms (Link to these results)

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