A0A3Q0KPX8_SCHMA Loading...

Meiotic checkpoint regulator cut4, putative AlphaSync Fragmented

AlphaFold DB , UniProt , Accession A0A3Q0KPX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,814 aa.

>A0A3Q0KPX8_SCHMA|A0A3Q0KPX8
MSDTMISAKSVVDVFPFGCQYLLEFCHEDSMQNGSSTSPSDQPSDFWRTWGCGGLFNELYISRNTIVWSCGTETACSFPELVLNFDTPIIDAFKSSFFLPALHSGQGFLPYVNENIPGRIQEGLSIFESERMTFIDDCGEHYTVRIPCRIREVWALNTLILLERQPNNYEVRFDNPNTTPTSSCALFSMFSLTHPLDEAAPVILKVPLPNGGFGIGFVSDIHLKVIGVIASLNLVITYHSLTRLHSVWLLEKASSHDYIYLYQMDADGRASVATHALTGLVYQPESVKHVKSFDKDLSTFDEHSIQCSPNSTICLSPFAASLSRLTRAEKQSFRLNHSGNRRSPGQSLSATFTPTNLDSYISRLSNVTPNNLSHLQCTANSPSGFLLRRGSLVQAQQAGNICTPKPVGSIQTPKHNSINMTTLRGRLSSTRLNIYSSNLHETPVRAEKLYTIDPDQVENLLDEPLLPKVCLRLVWSETSSARSHSTLNNIGLFSSLNNESSYKKENVGNFVPYVSDLPASGRFALLSRRLPNLPFRASKTESLISNSPSTKKSKALYGNLCNSSQAVSKDKNVILPQQKSGPVKASAFLAVDITSTSWVCFLTGTSVFDRRQSRLACLRINDKYLDCKQFNDSQTVFGDLVYLRACDAVYVPYSRITICLEPGVGIILYTGIKKICLLGLSPPPLLSMYLGVGGPQIVKSRLRHAASIVEIPFIVRSDLLNAERWHQNTVYSVLSKCISIITSNQLLIDQSYTVSSGSNSDKKTFCFSELSSDLANFKELRTDQGNDHLCETNLSNVNTENCSEINAPNNQSEVKSMERISLCDPAGNAFTIANQSKVTGVDKCVDSLDSNKFLRVYLPTIAENEMVQRCLTSLNRCLPEDASLLLFARWYIISNAPGTKSSYKFQEPETSYCDDTDDFGINYFDEPGEWNRFANFILSASGFSLSHRYTGNIVSSECQNNVGHIFQSSKRRRPGPEESSELDWNNLTSLLDLGYDNELVHPSLFLPKSTNLLFTKMDFDKNLSFRDQKQTVYLSYVRDDPDSHIVLSHLPTILFAFHLTYEEAKLNSILQDKVKHLAELNFIISSILNLPAYTTFYETEYPNLCHISLVTEVEFPTKYLNWPDKISFDIAPCLLTWVTRQFESLFSGGTFVKINPYPYVTGVNDLATALAGVIVSALSTEKLEELKNVDSKSAVQYLLEFWSDQIFKWKTFAKSSGSVYECSRKRDDFPIFNDEEVKHWLQNAGPYACSYVETLLTCVTLSSNKFSRETESTGLPISAQHLALLFLSRLESSSKVFYGVLSKRLRVLPPGLSMILRIFLSRCRLHPPPNCDPHVYSLMGRTDLAKQAHMLDHQGNSIFDSVFNCSNSVSTSSEPISLLKILSVPSSVGETSSWSIEELWSNLVLPLRDIDSLSSNVAASSHALLYHIENNPCCQASFKNDLRLREAYRLLQSFSHIRLPRLNSEDPVSTSPNNAPGSDLNARLTEARFEMHLAAAGIRVWASVIGRGMLTFGILTGSKVPTQLRVPPICLRGRAISPSSGRRVLVDLAREPLGPASANAGTNRAGTAEVIASGLDIAGGSGDRLGITGVQSVDASNHPGNSVALAIASSLASCGAGASLRTVSLGLRRMTPSNNLLNNYASSNISTTATNSASSTASLLSTSNIQQSPGVLAAKHWPDFHNGVAIGLSVSPDASIDATWILYNCRAAGLTSTNNRKNNLRTNQDSTSSPDTSSPEQAGLLLGLGLNGHLNKITPYDIGEYLVRVHDLHNMAVLLGLCAGRRGTMDQSVLRLIAVHYRPLLPSNPLINVQLSVPNLCQAAAIFGLGLLYQGSAHRHITNLLINELGRSLSEDSHSDSAHLGLNADTDSQQTVSNASNNNPTNNTVGWTGAGGSGGFAGDSCELMALSAGLALGLVLLQRGDTPCGLSDLQWAEKLRAYMTSGPKSTNSAVAENQQYTIHFSCDLHERCLPIQHVKGRGAPRRLIDHSRLPHQTSVEPVSPQNNLSDSSTRGASFSSSTFRTPSLLLHSDYSTEPLVDPERFLTNDYLHNSMDIRGISSSSRQPSSRRRSSSNTGPATSPTLTNGFNRIPSTISDLVGRLDECSTKTTWKNPQIRDLHCYNADVSAPGAMMALGMAYLGSGNSTVSSWLLPPSSLRQLELIRPDLLLFQALAYGLVNWNSIEPTQEWIDSYIPEQFFERLSESIRPRPKLHSPNVSDIRATLGQADLSSEDDVENRCPDQTFTDSLYHAYGRSAYNRGRRSTLSNVRGRPVRRSRRYDIRQWSEEESIVDNIKAVPEKNECFDQFGLHNKDSVDIEAISLAYLNILVGCALAMGLRYAGTSNSNAANTLYSLARSFLNDTWWPPSYFTFKSPSQNKQCDSEQIKTSLPKSTLVGSAAQCLLALAMILAGSGNLTVLKMVRQLRAIHLFNSKPDTLNSGQSNNTASDSLYHTVTAAAARAAATTQTVSTSSTGASVSGPVSVASVFGAALGPSYGLQMLLANTVGLLFLGGGRLTLANTPEAAAMLVISFFPLLPTFAGDNWYHLQALRHFYALATIPRRVCAVDVDTGRVVLSNFEAKLRESDVIVSSEDTFVFPSDVLENMAWLEINHNSDKYWPTVFYHGTNNWNLFKMTFYKAGYIFVKQRDEGEELNVLQSWLEECLKQWLDLSILKQLKLLVTFLKRFSSNKLTVSTGHEHIGKLSPSLSSCSDLGRILAARVTQNFIKHKDELSVGLKNYYFDVSNVTTTVNQYNTFQSKLVKAFRLWFSLPDYTILLPHLPKDDVLPLVNFLSVVKQHSPTTPVPNILWFHRFLYTHS

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

 

Download 9 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
1M27.2Very low68.7Low162 Ų16259.8 Ų59.880%0.79833%0.332SS*.  0143.70-84.5-166150.500108.8D3 A896M1-D3 PolarHBondContact O-N 2.85Å; M1-D3 VanDerWaalsContact O-N 3.15Å; M1-A896 HydrophobicContact SD-CB 4.41Å
2S39.8Very low69.6Low57 Ų5760.5 Ų60.540%0.39934%0.338SS..  trans-63.4113.2-178.4540000111.2T4S2-T4 PolarHBondContact O-N 2.81Å
3D51.8Low70.1Confident84 Ų8462.5 Ų62.545%0.44935%0.348SS..THydrogen-bonded Turntrans-5924.4178.2-70.2-22.4000114.7M1M1-D3 PolarHBondContact O-N 2.85Å; M1-D3 VanDerWaalsContact O-N 3.15Å
4T68.4Low70.5Confident79 Ų7960.9 Ų60.949%0.48534%0.34SS..THydrogen-bonded Turntrans-126-1.4-164.558.40000114.7S2 C676 L677S2-T4 PolarHBondContact O-N 2.81Å; T4-C676 WeakPolarHBondContact O-CB 3.34Å; T4-L677 PolarHBondContact O-N 3.39Å
5M75.9Confident71Confident35 Ų3563.1 Ų63.117%0.17235%0.345CS..EExtended strand (participates in β ladder)trans-142.6139.8-175-165.7173.973.800114.1L677 P897M5-L677 WeakPolarHBondContact CA-O 3.13Å; M5-P897 HydrophobicContact CE-CG 3.72Å
6I83.4Confident71.6Confident0 Ų059.4 Ų59.40%033%0.325CS..EExtended strand (participates in β ladder)trans-120.1145.4174.2-70.3175000109.5I675 C676 L677 G679 P859 Y891 I892 N895I6-I675 HydrophobicContact CD1-CG2 4.47Å; I6-C676 WeakPolarHBondContact CD1-SG 3.5Å; I6-C676 HydrophobicContact CG1-CB 4.46Å; I6-C676 WeakPolarHBondContact CG1-SG 3.49Å; I6-L677 PolarHBondContact N-O 3.15Å; I6-G679 PolarHBondContact O-N 3.12Å; I6-P859 HydrophobicContact CG2-CG 4.07Å; I6-Y891 HydrophobicContact CD1-CD1 3.13Å; I6-Y891 HydrophobicContact CD1-CE1 3.33Å; I6-Y891 HydrophobicContact CD1-CG 4.1Å; I6-Y891 WeakPolarHBondContact CD1-O 3.41Å; I6-I892 HydrophobicContact CD1-CB 4.48Å; I6-I892 HydrophobicContact CD1-CG1 4.12Å; I6-I892 HydrophobicContact CG1-CG1 4.45Å; I6-N895 HydrophobicContact CB-CB 4.45Å; I6-N895 HydrophobicContact CD1-CB 4.4Å; I6-N895 HydrophobicContact CG1-CB 4.24Å; I6-N895 HydrophobicContact CG2-CB 3.55Å
7S81.7Confident72.2Confident35 Ų3560.8 Ų60.825%0.24533%0.328CS..EExtended strand (participates in β ladder)trans-86.1139.5171.4-175.40000111.3P859 N895S7-P859 VanDerWaalsContact O-CG 3.25Å; S7-P859 WeakPolarHBondContact O-CG 3.24Å; S7-N895 PolarHBondContact N-O 3.28Å
8A82.7Confident72.8Confident10 Ų1057.4 Ų57.48%0.08331%0.309CS..  trans-57.8148.416200000110.6V11 L678 G679 L680 V856A8-V11 HydrophobicContact CB-CG2 4.19Å; A8-L678 HydrophobicContact CB-CD1 4.25Å; A8-G679 PolarHBondContact N-O 3.3Å; A8-G679 VanDerWaalsContact N-O 3.07Å; A8-L680 HydrophobicContact CB-CD2 3.97Å; A8-V856 HydrophobicContact CB-CG1 3.69Å
9K82.9Confident73.4Confident123 Ų12355.3 Ų55.354%0.53530%0.299SS..SBendtrans-70.7-45178.8-179.5174.6178.5171.90111.1Y857K9-Y857 WeakPolarHBondContact CB-O 3.45Å; K9-Y857 PolarHBondContact N-O 3.06Å
10S81.1Confident73.8Confident43 Ų4356.5 Ų56.530%0.30130%0.302SS..EExtended strand (participates in β ladder)trans-156.5155.6172.954.50000109.6Y857S10-Y857 PolarHBondContact O-N 2.7Å; S10-Y857 WeakPolarHBondContact OG-CB 3.26Å; S10-Y857 WeakPolarHBondContact OG-CD2 3.38Å
11V80.7Confident74.4Confident30 Ų3056.8 Ų56.818%0.18230%0.3CS..EExtended strand (participates in β ladder)trans-127.6127.4171.6-1760000106.9A8 L680 L854 R855 V856A8-V11 HydrophobicContact CB-CG2 4.19Å; V11-L680 HydrophobicContact CG2-CD2 4.16Å; V11-L854 HydrophobicContact CG1-CB 4.25Å; V11-L854 HydrophobicContact CG1-CD2 3.87Å; V11-R855 WeakPolarHBondContact CA-O 3.4Å; V11-V856 HydrophobicContact CG1-CG2 4.3Å; V11-V856 HydrophobicContact CG2-CG1 4.48Å; V11-V856 HydrophobicContact CG2-CG2 4.31Å
12V79.8Confident77.1Confident68 Ų6850.1 Ų50.141%0.41227%0.267SS..EExtended strand (participates in β ladder)trans-129.6134.7-174.5-172.90000108.8V14 R855 Y857V12-V14 PolarHBondContact O-N 3.32Å; V12-R855 PolarHBondContact N-O 2.77Å; V12-R855 PolarHBondContact O-N 3.03Å; V12-Y857 HydrophobicContact CG2-CD2 4.44Å; V12-Y857 HydrophobicContact CG2-CE2 3.99Å
13D75.8Confident79.1Confident87 Ų8751 Ų5147%0.46527%0.267SS..EExtended strand (participates in β ladder)trans-67.3125.6169-74.1-32.8000108.8L854D13-L854 WeakPolarHBondContact OD1-CD2 3.48Å
14V76.5Confident80.5Confident39 Ų3952.5 Ų52.524%0.23627%0.271CS..EExtended strand (participates in β ladder)trans-110.3132.1179.3172.80000109.8V12 F853 R855V12-V14 PolarHBondContact O-N 3.32Å; V14-F853 PolarHBondContact N-O 3.48Å; V14-F853 WeakPolarHBondContact O-CB 3.29Å; V14-R855 HydrophobicContact CB-CB 4.34Å; V14-R855 HydrophobicContact CG2-CB 3.28Å; V14-R855 HydrophobicContact CG2-CG 4.22Å
15F77.6Confident81Confident94 Ų9455 Ų5541%0.41228%0.276SS..  trans-120.6130.6167.7-159.2-97000107.4F17 C19 Q20 L23F15-F17 PolarHBondContact O-N 3.12Å; F15-C19 HydrophobicContact CD1-CB 4.43Å; F15-C19 HydrophobicContact CE1-CB 3.79Å; F15-C19 HydrophobicContact CZ-CB 4.43Å; F15-Q20 HydrophobicContact CD1-CB 4.32Å; F15-L23 HydrophobicContact CE1-CD1 4.27Å; F15-L23 HydrophobicContact CZ-CD1 4.41Å
16P80.1Confident80.7Confident5 Ų556.5 Ų56.53%0.03229%0.289CS..  trans-59.6125-179.218.3-26.5000110.5G18 C19 Q20 W47 E58 Y60P16-G18 PolarHBondContact O-N 3.5Å; P16-C19 HydrophobicContact CB-CB 4.26Å; P16-C19 HydrophobicContact CG-CB 3.79Å; P16-C19 WeakPolarHBondContact O-CB 3.4Å; P16-C19 PolarHBondContact O-N 3.06Å; P16-C19 VanDerWaalsContact O-N 3.08Å; P16-Q20 PolarHBondContact O-N 3.49Å; P16-W47 HydrophobicContact CB-CD2 4.16Å; P16-W47 HydrophobicContact CB-CE3 4.34Å; P16-W47 HydrophobicContact CB-CG 4.45Å; P16-W47 HydrophobicContact CG-CD2 4.4Å; P16-W47 HydrophobicContact CG-CE3 4.18Å; P16-W47 HydrophobicContact CG-CH2 4.09Å; P16-W47 HydrophobicContact CG-CZ2 4.38Å; P16-W47 HydrophobicContact CG-CZ3 4.01Å; P16-E58 VanDerWaalsContact C-OE1 3.28Å; P16-E58 VanDerWaalsContact CA-OE1 3.23Å; P16-E58 WeakPolarHBondContact CA-OE1 3.42Å; P16-E58 WeakPolarHBondContact CB-OE1 3.02Å; P16-Y60 HydrophobicContact CB-CD2 3.73Å; P16-Y60 HydrophobicContact CB-CE2 4.02Å; P16-Y60 HydrophobicContact CG-CD2 4.18Å; P16-Y60 HydrophobicContact CG-CE2 3.94Å
17F82.3Confident79.5Confident83 Ų8363 Ų6336%0.36432%0.319SS..Hα-helixtrans-62.6-34.5-176.2-75.2-76.4000111.4F15 C19 Q20 Y21 E58 S77F15-F17 PolarHBondContact O-N 3.12Å; F17-C19 VanDerWaalsContact C-N 3.28Å; F17-C19 PolarHBondContact O-N 3.43Å; F17-Q20 PolarHBondContact O-N 3.05Å; F17-Y21 WeakPolarHBondContact O-CB 3.5Å; F17-Y21 PolarHBondContact O-N 2.79Å; F17-E58 WeakPolarHBondContact CB-OE2 3.18Å; F17-E58 WeakPolarHBondContact CD2-OE2 3.2Å; F17-E58 PolarHBondContact N-OE1 3.35Å; F17-E58 PolarHBondContact N-OE2 3.44Å; F17-S77 WeakPolarHBondContact CB-OG 3.4Å; F17-S77 WeakPolarHBondContact CD1-OG 3.41Å; F17-S77 VanDerWaalsContact CD2-OG 3.29Å; F17-S77 WeakPolarHBondContact CD2-OG 3.25Å; F17-S77 WeakPolarHBondContact CG-OG 3.34Å
18G83Confident77.5Confident0 Ų069.3 Ų69.30%035%0.345CS..Hα-helixtrans-63.3-34.8176.400000112.8P16 Y21 L22 E58P16-G18 PolarHBondContact O-N 3.5Å; G18-Y21 PolarHBondContact O-N 3.45Å; G18-L22 WeakPolarHBondContact O-CG 3.38Å; G18-L22 PolarHBondContact O-N 3.19Å; G18-E58 PolarHBondContact N-OE1 2.85Å
19C84.1Confident75.4Confident17 Ų1776.5 Ų76.512%0.11538%0.382CS..Hα-helixtrans-66.6-47.1174.4-170.60000111F15 P16 F17 Y21 L22 L23 Y60F15-C19 HydrophobicContact CD1-CB 4.43Å; F15-C19 HydrophobicContact CE1-CB 3.79Å; F15-C19 HydrophobicContact CZ-CB 4.43Å; P16-C19 HydrophobicContact CB-CB 4.26Å; P16-C19 HydrophobicContact CG-CB 3.79Å; P16-C19 WeakPolarHBondContact O-CB 3.4Å; P16-C19 PolarHBondContact O-N 3.06Å; P16-C19 VanDerWaalsContact O-N 3.08Å; F17-C19 VanDerWaalsContact C-N 3.28Å; F17-C19 PolarHBondContact O-N 3.43Å; C19-Y21 VanDerWaalsContact C-N 3.29Å; C19-Y21 PolarHBondContact O-N 2.85Å; C19-L22 PolarHBondContact O-N 3.12Å; C19-L23 WeakPolarHBondContact O-CB 3.28Å; C19-L23 VanDerWaalsContact O-CG 3.29Å; C19-L23 WeakPolarHBondContact O-CG 3.5Å; C19-L23 PolarHBondContact O-N 3.05Å; C19-Y60 HydrophobicContact CB-CD2 4.36Å; C19-Y60 HydrophobicContact CB-CE1 4.05Å; C19-Y60 HydrophobicContact CB-CE2 3.69Å; C19-Y60 VanDerWaalsContact CB-CZ 3.5Å; C19-Y60 WeakPolarHBondContact CB-OH 3.47Å; C19-Y60 PolarHBondContact SG-OH 3.03Å; C19-Y60 VanDerWaalsContact SG-OH 3.4Å
20Q82.4Confident73.3Confident78 Ų7875.1 Ų75.136%0.36439%0.388SS..Hα-helixtrans-58.1-44.1176.4-175.9175-2.200111.3F15 P16 F17 L23 E24F15-Q20 HydrophobicContact CD1-CB 4.32Å; P16-Q20 PolarHBondContact O-N 3.49Å; F17-Q20 PolarHBondContact O-N 3.05Å; Q20-L23 PolarHBondContact O-N 2.87Å; Q20-E24 HydrophobicContact CG-CG 4.4Å; Q20-E24 VanDerWaalsContact CG-OE1 3.32Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.46Å; Q20-E24 PolarHBondContact NE2-OE1 3.21Å; Q20-E24 WeakPolarHBondContact O-CB 2.99Å; Q20-E24 WeakPolarHBondContact O-CG 3.22Å; Q20-E24 PolarHBondContact O-N 3.22Å
21Y85Confident71.1Confident64 Ų6482.1 Ų82.125%0.25142%0.418SS..Hα-helixtrans-60.7-46.9177.1-179.8-96000112.6F17 G18 C19 L23 E24 F25 V67 P79 V82F17-Y21 WeakPolarHBondContact O-CB 3.5Å; F17-Y21 PolarHBondContact O-N 2.79Å; G18-Y21 PolarHBondContact O-N 3.45Å; C19-Y21 VanDerWaalsContact C-N 3.29Å; C19-Y21 PolarHBondContact O-N 2.85Å; Y21-L23 VanDerWaalsContact C-N 3.31Å; Y21-L23 PolarHBondContact O-N 2.7Å; Y21-E24 PolarHBondContact O-N 2.96Å; Y21-F25 HydrophobicContact CD2-CB 4.45Å; Y21-F25 AromaticContact CD2-CD2 3.33Å; Y21-F25 HydrophobicContact CD2-CD2 3.33Å; Y21-F25 AromaticContact CD2-CE2 3.85Å; Y21-F25 HydrophobicContact CD2-CE2 3.85Å; Y21-F25 HydrophobicContact CD2-CG 4.12Å; Y21-F25 HydrophobicContact CE1-CB 4.44Å; Y21-F25 HydrophobicContact CE2-CB 4.04Å; Y21-F25 AromaticContact CE2-CD2 3.46Å; Y21-F25 HydrophobicContact CE2-CD2 3.46Å; Y21-F25 VanDerWaalsContact CE2-CD2 3.46Å; Y21-F25 HydrophobicContact CE2-CE2 4.06Å; Y21-F25 AromaticContact CE2-CG 3.79Å; Y21-F25 HydrophobicContact CE2-CG 3.79Å; Y21-F25 HydrophobicContact CG-CD2 4.1Å; Y21-F25 WeakPolarHBondContact O-CB 3.28Å; Y21-F25 WeakPolarHBondContact O-CD2 3.39Å; Y21-F25 PolarHBondContact O-N 2.89Å; Y21-V67 HydrophobicContact CD1-CG1 4.28Å; Y21-V67 HydrophobicContact CD1-CG2 4.24Å; Y21-P79 HydrophobicContact CD2-CG 3.68Å; Y21-P79 HydrophobicContact CE1-CG 4.38Å; Y21-P79 HydrophobicContact CE2-CG 3.53Å; Y21-P79 HydrophobicContact CG-CG 4.17Å; Y21-V82 HydrophobicContact CD1-CG2 4.36Å; Y21-V82 HydrophobicContact CE1-CG1 4.47Å; Y21-V82 HydrophobicContact CE1-CG2 3.73Å
22L85Confident69Low21 Ų2189.3 Ų89.311%0.1145%0.45CS..Iπ-helixtrans-64.3-37.4178.5-68.3-178.7000112.3G18 C19 C26 H27 Y60 T65 V67G18-L22 WeakPolarHBondContact O-CG 3.38Å; G18-L22 PolarHBondContact O-N 3.19Å; C19-L22 PolarHBondContact O-N 3.12Å; L22-C26 HydrophobicContact CD2-CB 3.95Å; L22-C26 WeakPolarHBondContact O-CB 3.38Å; L22-C26 PolarHBondContact O-N 3.33Å; L22-C26 VanDerWaalsContact O-N 3.08Å; L22-H27 PolarHBondContact O-N 2.96Å; L22-Y60 HydrophobicContact CD1-CD1 4.2Å; L22-Y60 HydrophobicContact CD1-CE1 3.85Å; L22-T65 HydrophobicContact CD1-CG2 4.12Å; L22-T65 HydrophobicContact CD2-CG2 3.69Å; L22-V67 HydrophobicContact CD1-CG2 4.22Å; L22-V67 HydrophobicContact CD2-CG2 3.73Å; L22-V67 HydrophobicContact CG-CG2 3.84Å
23L81.6Confident66.8Low76 Ų7693.6 Ų93.640%0.39847%0.47SS..Iπ-helixtrans-65.6-41.1176.3-72.2168.7000112.1F15 C19 Q20 Y21F15-L23 HydrophobicContact CE1-CD1 4.27Å; F15-L23 HydrophobicContact CZ-CD1 4.41Å; C19-L23 WeakPolarHBondContact O-CB 3.28Å; C19-L23 VanDerWaalsContact O-CG 3.29Å; C19-L23 WeakPolarHBondContact O-CG 3.5Å; C19-L23 PolarHBondContact O-N 3.05Å; Q20-L23 PolarHBondContact O-N 2.87Å; Y21-L23 VanDerWaalsContact C-N 3.31Å; Y21-L23 PolarHBondContact O-N 2.7Å
24E81.7Confident64.6Low115 Ų11593.8 Ų93.854%0.53749%0.493SS..Iπ-helixtrans-80.5-36.1-177-73.1177.8-171.100113.5Q20 Y21Q20-E24 HydrophobicContact CG-CG 4.4Å; Q20-E24 VanDerWaalsContact CG-OE1 3.32Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.46Å; Q20-E24 PolarHBondContact NE2-OE1 3.21Å; Q20-E24 WeakPolarHBondContact O-CB 2.99Å; Q20-E24 WeakPolarHBondContact O-CG 3.22Å; Q20-E24 PolarHBondContact O-N 3.22Å; Y21-E24 PolarHBondContact O-N 2.96Å
25F77.7Confident62.4Low133 Ų13396.4 Ų96.458%0.58351%0.513SS*.Iπ-helixtrans-118.7-21.8-167-63.8-81.5000115.4Y21Y21-F25 HydrophobicContact CD2-CB 4.45Å; Y21-F25 AromaticContact CD2-CD2 3.33Å; Y21-F25 HydrophobicContact CD2-CD2 3.33Å; Y21-F25 AromaticContact CD2-CE2 3.85Å; Y21-F25 HydrophobicContact CD2-CE2 3.85Å; Y21-F25 HydrophobicContact CD2-CG 4.12Å; Y21-F25 HydrophobicContact CE1-CB 4.44Å; Y21-F25 HydrophobicContact CE2-CB 4.04Å; Y21-F25 AromaticContact CE2-CD2 3.46Å; Y21-F25 HydrophobicContact CE2-CD2 3.46Å; Y21-F25 VanDerWaalsContact CE2-CD2 3.46Å; Y21-F25 HydrophobicContact CE2-CE2 4.06Å; Y21-F25 AromaticContact CE2-CG 3.79Å; Y21-F25 HydrophobicContact CE2-CG 3.79Å; Y21-F25 HydrophobicContact CG-CD2 4.1Å; Y21-F25 WeakPolarHBondContact O-CB 3.28Å; Y21-F25 WeakPolarHBondContact O-CD2 3.39Å; Y21-F25 PolarHBondContact O-N 2.89Å
26C70.7Confident60.1Low65 Ų6598.2 Ų98.244%0.43954%0.537SS..Iπ-helixtrans-104.9-10.7-177.5-66.40000113.5L22 E28L22-C26 HydrophobicContact CD2-CB 3.95Å; L22-C26 WeakPolarHBondContact O-CB 3.38Å; L22-C26 PolarHBondContact O-N 3.33Å; L22-C26 VanDerWaalsContact O-N 3.08Å; C26-E28 PolarHBondContact O-N 3.36Å
27H58.5Low57.7Low137 Ų137103.9 Ų103.963%0.63457%0.571SS**  trans-93.652.9179.5-114.5-44.7000113.2L22L22-H27 PolarHBondContact O-N 2.96Å
28E38Very low55.2Low167 Ų167104.3 Ų104.378%0.7859%0.585SS**SBendtrans-122.7138.5159.8-69.3-160.1151.300109.1C26C26-E28 PolarHBondContact O-N 3.36Å
29D39.6Very low52.9Low162 Ų162109.8 Ų109.887%0.86662%0.621SS**SBendtrans92.815.4165.8-59.9-19000123.6
30S37.7Very low50.5Low94 Ų94112.9 Ų112.966%0.65764%0.642SS**  trans-99.27.2168.657.30000116.4Q32S30-Q32 PolarHBondContact O-N 3.47Å
31M36.1Very low48.6Very low189 Ų189114 Ų11493%0.93165%0.651SS**THydrogen-bonded Turntrans-87.513.1-179.7-77.5-68.7167.600115.8
32Q36.5Very low46.8Very low182 Ų182117 Ų11785%0.8567%0.667SS**THydrogen-bonded Turntrans-120.26.5-178.9-94.1-170.78.600118.1S30S30-Q32 PolarHBondContact O-N 3.47Å
33N32.3Very low45.2Very low158 Ų158119.6 Ų119.685%0.84569%0.685SS**SBendtrans-121.1104.3169.4-81.6-33.2000112S35N33-S35 PolarHBondContact O-N 3.43Å
34G30Very low44.6Very low91 Ų91117.6 Ų117.694%0.93868%0.678SS**  trans-62.499.2174.600000112.1
35S30Very low44.7Very low94 Ų94113.9 Ų113.966%0.65766%0.661SS**  trans-140.9102.9145.166.20000108.4N33 T37N33-S35 PolarHBondContact O-N 3.43Å; S35-T37 VanDerWaalsContact C-N 3.33Å; S35-T37 PolarHBondContact O-N 2.84Å; S35-T37 PolarHBondContact O-OG1 3.41Å
36S30.7Very low45.2Very low132 Ų132107.8 Ų107.892%0.92364%0.635SS**  trans-60.790.9172.653.60000110
37T29Very low46.1Very low123 Ų123105.3 Ų105.376%0.75562%0.616SS**  trans-102.2120.3162.8-14.70000106.6S35S35-T37 VanDerWaalsContact C-N 3.33Å; S35-T37 PolarHBondContact O-N 2.84Å; S35-T37 PolarHBondContact O-OG1 3.41Å
38S30.8Very low47.5Very low92 Ų92101.8 Ų101.864%0.64360%0.597SS**  trans-51.1138.6-172.950.50000113.6S40S38-S40 VanDerWaalsContact C-N 3.32Å; S38-S40 PolarHBondContact O-N 2.89Å
39P33.5Very low49.6Very low116 Ų11695 Ų9575%0.75357%0.567SS**  trans-79.584.1170.333.7-29.8000107.9K843P39-K843 PolarHBondContact O-NZ 3.09Å; P39-K843 VanDerWaalsContact O-NZ 3.09Å
40S34.7Very low51.6Low81 Ų8190.1 Ų90.157%0.56654%0.537SS*.  trans-102.6-17.7172.6650000113.7S38S38-S40 VanDerWaalsContact C-N 3.32Å; S38-S40 PolarHBondContact O-N 2.89Å
41D40.7Very low53.1Low102 Ų10288 Ų8855%0.54553%0.529SS..SBendtrans-118.4104.6-170.8-61.2-0.1000108.5
42Q47.9Very low54.5Low128 Ų12882.5 Ų82.560%0.59851%0.509SS*.  trans-53.8137.3168.6-84179.5-29.800109.1S44Q42-S44 PolarHBondContact O-N 3.25Å
43P52.2Low55.6Low75 Ų7578.1 Ų78.149%0.48751%0.512SS..  trans-62.9124.217627.5-32.6000108.9D45P43-D45 VanDerWaalsContact C-N 3.27Å; P43-D45 PolarHBondContact O-N 3.25Å
44S67.6Low57.2Low34 Ų3474 Ų7424%0.23851%0.507CS..  trans-77.383.7174.558.30000108.5Q42Q42-S44 PolarHBondContact O-N 3.25Å
45D84.9Confident59.1Low37 Ų3773.4 Ų73.420%0.19848%0.482CS..EExtended strand (participates in β ladder)trans-90.3128.6178.8-61.5-21.4000109.9P43 Y60 I61 S62 S580 G581P43-D45 VanDerWaalsContact C-N 3.27Å; P43-D45 PolarHBondContact O-N 3.25Å; D45-Y60 HydrophobicContact CB-CE2 4.33Å; D45-Y60 WeakPolarHBondContact CB-OH 3.35Å; D45-Y60 PolarHBondContact OD2-OH 3.34Å; D45-Y60 VanDerWaalsContact OD2-OH 3.13Å; D45-I61 WeakPolarHBondContact CA-O 3.29Å; D45-S62 VanDerWaalsContact OD1-CA 3.24Å; D45-S62 WeakPolarHBondContact OD1-CA 3.4Å; D45-S62 WeakPolarHBondContact OD1-CB 3.49Å; D45-S62 PolarHBondContact OD1-OG 3Å; D45-S580 CarbonylContact O-C 3.58Å; D45-S580 VanDerWaalsContact O-CA 3.31Å; D45-S580 WeakPolarHBondContact O-CA 3.37Å; D45-G581 PolarHBondContact O-N 2.92Å
46F88.9Confident61.4Low5 Ų570.2 Ų70.22%0.02246%0.456CS..EExtended strand (participates in β ladder)trans-143.2155.4176.962.4-86.3000111.3I61 K579 G581 V583F46-I61 HydrophobicContact CD1-CG2 4.5Å; F46-I61 HydrophobicContact CD2-CB 4.35Å; F46-I61 HydrophobicContact CD2-CD1 3.81Å; F46-I61 HydrophobicContact CE1-CB 4.21Å; F46-I61 HydrophobicContact CE1-CG2 3.82Å; F46-I61 HydrophobicContact CE2-CB 4.1Å; F46-I61 HydrophobicContact CE2-CD1 3.2Å; F46-I61 HydrophobicContact CE2-CG1 4.23Å; F46-I61 HydrophobicContact CE2-CG2 4.32Å; F46-I61 HydrophobicContact CZ-CB 4Å; F46-I61 HydrophobicContact CZ-CD1 3.72Å; F46-I61 HydrophobicContact CZ-CG1 4.43Å; F46-I61 HydrophobicContact CZ-CG2 3.72Å; F46-I61 PolarHBondContact N-O 3.12Å; F46-I61 PolarHBondContact O-N 3.42Å; F46-K579 HydrophobicContact CB-CB 4.22Å; F46-K579 HydrophobicContact CD1-CB 4.04Å; F46-K579 HydrophobicContact CG-CB 4.14Å; F46-G581 WeakPolarHBondContact CA-O 3.14Å; F46-G581 VanDerWaalsContact CB-O 3.27Å; F46-G581 WeakPolarHBondContact CB-O 3.46Å; F46-V583 HydrophobicContact CB-CG2 4.11Å; F46-V583 HydrophobicContact CD2-CG2 3.58Å; F46-V583 HydrophobicContact CE2-CG2 4.46Å; F46-V583 HydrophobicContact CG-CG2 4.26Å
47W88.2Confident64Low12 Ų1264.6 Ų64.65%0.04542%0.416CS..EExtended strand (participates in β ladder)trans-144.3161.4179.86997.9000112.9P16 L59 Y60 G581 P582 V583 F853P16-W47 HydrophobicContact CB-CD2 4.16Å; P16-W47 HydrophobicContact CB-CE3 4.34Å; P16-W47 HydrophobicContact CB-CG 4.45Å; P16-W47 HydrophobicContact CG-CD2 4.4Å; P16-W47 HydrophobicContact CG-CE3 4.18Å; P16-W47 HydrophobicContact CG-CH2 4.09Å; P16-W47 HydrophobicContact CG-CZ2 4.38Å; P16-W47 HydrophobicContact CG-CZ3 4.01Å; W47-L59 CarbonylContact C-O 3.56Å; W47-L59 WeakPolarHBondContact CA-O 3.4Å; W47-L59 VanDerWaalsContact CB-O 3.28Å; W47-L59 WeakPolarHBondContact CB-O 3.44Å; W47-Y60 HydrophobicContact CB-CD2 3.94Å; W47-Y60 HydrophobicContact CE3-CD2 4.28Å; W47-Y60 HydrophobicContact CE3-CE2 4.23Å; W47-G581 VanDerWaalsContact CZ3-CA 3.41Å; W47-G581 PolarHBondContact N-O 2.98Å; W47-P582 HydrophobicContact CD2-CB 4.33Å; W47-P582 VanDerWaalsContact CH2-CD 3.47Å; W47-P582 HydrophobicContact CH2-CG 4.37Å; W47-P582 HydrophobicContact CZ2-CB 3.78Å; W47-P582 VanDerWaalsContact CZ2-CD 3.46Å; W47-P582 HydrophobicContact CZ2-CG 3.87Å; W47-V583 WeakPolarHBondContact O-CG2 3.36Å; W47-V583 PolarHBondContact O-N 3.07Å; W47-F853 HydrophobicContact CH2-CD1 4.1Å; W47-F853 AromaticContact CH2-CD2 3.92Å; W47-F853 HydrophobicContact CH2-CD2 3.92Å; W47-F853 AromaticContact CH2-CE1 3.71Å; W47-F853 HydrophobicContact CH2-CE1 3.71Å; W47-F853 AromaticContact CH2-CE2 3.53Å; W47-F853 HydrophobicContact CH2-CE2 3.53Å; W47-F853 HydrophobicContact CH2-CG 4.21Å; W47-F853 AromaticContact CH2-CZ 3.42Å; W47-F853 HydrophobicContact CH2-CZ 3.42Å; W47-F853 VanDerWaalsContact CH2-CZ 3.42Å; W47-F853 HydrophobicContact CZ2-CD1 4.13Å; W47-F853 HydrophobicContact CZ2-CD2 4.28Å; W47-F853 HydrophobicContact CZ2-CE1 4.14Å; W47-F853 HydrophobicContact CZ2-CE2 4.31Å; W47-F853 HydrophobicContact CZ2-CG 4.22Å; W47-F853 HydrophobicContact CZ2-CZ 4.25Å; W47-F853 HydrophobicContact CZ3-CE2 4.44Å; W47-F853 HydrophobicContact CZ3-CZ 4.27Å
48R87.5Confident66.8Low64 Ų6459.6 Ų59.624%0.24238%0.384CS..EExtended strand (participates in β ladder)trans-127.4140.2174.3-68.9171.2-175.4-127.83.6108.4E58 L59 D91 A92 V583R48-E58 WeakPolarHBondContact O-CA 3.48Å; R48-L59 PolarHBondContact N-O 2.73Å; R48-L59 PolarHBondContact O-N 3.39Å; R48-D91 IonicContact CZ-OD1 3.91Å; R48-D91 IonicContact NE-OD1 3.4Å; R48-D91 PolarHBondContact NE-OD1 3.19Å; R48-D91 IonicContact NH2-OD1 2.82Å; R48-D91 PolarHBondContact NH2-OD1 3.28Å; R48-D91 IonicContact NH2-OD2 2.83Å; R48-D91 PolarHBondContact NH2-OD2 3.41Å; R48-A92 WeakPolarHBondContact CD-O 2.88Å; R48-A92 PolarHBondContact NE-O 2.91Å; R48-V583 HydrophobicContact CG-CB 3.75Å; R48-V583 HydrophobicContact CG-CG1 4.34Å; R48-V583 HydrophobicContact CG-CG2 3.9Å
49T83.8Confident69.7Low24 Ų2455.2 Ų55.215%0.14735%0.353CS..EExtended strand (participates in β ladder)trans-119.6151.6166.285.20000111.5N57 E58 D824 A826T49-N57 CarbonylContact C-O 3.56Å; T49-N57 WeakPolarHBondContact CA-O 3.18Å; T49-N57 WeakPolarHBondContact CB-O 3.38Å; T49-E58 HydrophobicContact CG2-CB 4.17Å; T49-E58 HydrophobicContact CG2-CG 4.22Å; T49-D824 VanDerWaalsContact CB-OD1 3.29Å; T49-D824 WeakPolarHBondContact CB-OD1 3.34Å; T49-D824 WeakPolarHBondContact CG2-OD1 3.42Å; T49-D824 WeakPolarHBondContact CG2-OD2 3.45Å; T49-D824 PolarHBondContact N-OD1 3.46Å; T49-D824 PolarHBondContact OG1-OD1 3.37Å; T49-D824 PolarHBondContact OG1-OD2 3.46Å; T49-A826 VanDerWaalsContact OG1-CB 3.3Å; T49-A826 WeakPolarHBondContact OG1-CB 3.44Å
50W81Confident72.4Confident60 Ų6050 Ų5023%0.22732%0.318CS..EExtended strand (participates in β ladder)trans-149149.817365.396.4000110.8N57 L59 W68W50-N57 HydrophobicContact CD2-CB 3.7Å; W50-N57 HydrophobicContact CE3-CB 4.2Å; W50-N57 HydrophobicContact CG-CB 4.2Å; W50-N57 HydrophobicContact CH2-CB 3.94Å; W50-N57 HydrophobicContact CZ2-CB 3.42Å; W50-N57 VanDerWaalsContact CZ2-CB 3.42Å; W50-N57 HydrophobicContact CZ3-CB 4.3Å; W50-N57 PolarHBondContact N-O 3.27Å; W50-N57 PolarHBondContact NE1-ND2 3.36Å; W50-N57 PolarHBondContact O-N 3.31Å; W50-L59 HydrophobicContact CH2-CB 3.91Å; W50-L59 HydrophobicContact CZ3-CB 3.64Å; W50-W68 HydrophobicContact CZ2-CZ2 4.42Å; W50-W68 AromaticContact CZ2-NE1 3.92Å
51G69.5Low75.1Confident48 Ų4846.1 Ų46.150%0.49529%0.291SS..EExtended strand (participates in β ladder)trans-92.3135.7174.200000111.4L55G51-L55 WeakPolarHBondContact CA-O 3.39Å
52C65.5Low77.5Confident75 Ų7542.5 Ų42.551%0.50727%0.274SS..EExtended strand (participates in β ladder)trans-138.2117.6170.9-168.50000109.7G54 L55C52-G54 PolarHBondContact O-N 3.21Å; C52-G54 VanDerWaalsContact O-N 3.1Å; C52-L55 PolarHBondContact N-O 3.45Å; C52-L55 WeakPolarHBondContact O-CB 3.45Å; C52-L55 PolarHBondContact O-N 2.9Å
53G59.8Low79.3Confident89 Ų8943.3 Ų43.392%0.91827%0.272SS*.THydrogen-bonded Turntrans60.624.4172.600000116.2
54G64.5Low81.2Confident71 Ų7141.7 Ų41.773%0.73226%0.259SS*.THydrogen-bonded Turntrans89.6-2.3-174.700000114.7C52C52-G54 PolarHBondContact O-N 3.21Å; C52-G54 VanDerWaalsContact O-N 3.1Å
55L70.6Confident82.3Confident80 Ų8041.3 Ų41.342%0.41926%0.255SS..EExtended strand (participates in β ladder)trans-98.1152.2170.8-64.6165.7000110.8G51 C52 T72G51-L55 WeakPolarHBondContact CA-O 3.39Å; C52-L55 PolarHBondContact N-O 3.45Å; C52-L55 WeakPolarHBondContact O-CB 3.45Å; C52-L55 PolarHBondContact O-N 2.9Å; L55-T72 HydrophobicContact CD2-CG2 3.77Å
56F77.7Confident82.6Confident27 Ų2739.6 Ų39.612%0.11825%0.246CC..EExtended strand (participates in β ladder)trans-106.7122.5175.5-93.8-83.1000110.8C70 G71 E73 A826F56-C70 WeakPolarHBondContact O-CA 3.36Å; F56-G71 PolarHBondContact N-O 3.37Å; F56-G71 PolarHBondContact O-N 3.37Å; F56-E73 HydrophobicContact CD2-CB 4.5Å; F56-E73 HydrophobicContact CD2-CG 3.25Å; F56-E73 HydrophobicContact CE2-CG 3.17Å; F56-E73 WeakPolarHBondContact CE2-OE1 3.43Å; F56-E73 HydrophobicContact CG-CG 4.23Å; F56-E73 HydrophobicContact CZ-CG 4.11Å; F56-E73 VanDerWaalsContact CZ-OE1 3.24Å; F56-E73 WeakPolarHBondContact CZ-OE1 3.34Å; F56-A826 HydrophobicContact CD1-CB 4.3Å; F56-A826 HydrophobicContact CE1-CB 3.35Å; F56-A826 HydrophobicContact CZ-CB 4.08Å; F56-A826 WeakPolarHBondContact CZ-O 3.41Å
57N84.9Confident82.8Confident14 Ų1439.4 Ų39.48%0.07525%0.245CC..EExtended strand (participates in β ladder)trans-103.1137.6171.1-69-71.5000109.5T49 W50 W68 S69 C70T49-N57 CarbonylContact C-O 3.56Å; T49-N57 WeakPolarHBondContact CA-O 3.18Å; T49-N57 WeakPolarHBondContact CB-O 3.38Å; W50-N57 HydrophobicContact CD2-CB 3.7Å; W50-N57 HydrophobicContact CE3-CB 4.2Å; W50-N57 HydrophobicContact CG-CB 4.2Å; W50-N57 HydrophobicContact CH2-CB 3.94Å; W50-N57 HydrophobicContact CZ2-CB 3.42Å; W50-N57 VanDerWaalsContact CZ2-CB 3.42Å; W50-N57 HydrophobicContact CZ3-CB 4.3Å; W50-N57 PolarHBondContact N-O 3.27Å; W50-N57 PolarHBondContact NE1-ND2 3.36Å; W50-N57 PolarHBondContact O-N 3.31Å; N57-W68 PolarHBondContact OD1-NE1 3.37Å; N57-S69 WeakPolarHBondContact CA-O 3.28Å; N57-C70 WeakPolarHBondContact OD1-CB 3.41Å; N57-C70 PolarHBondContact OD1-SG 3.18Å; N57-C70 VanDerWaalsContact OD1-SG 3.39Å
58E88.4Confident82.9Confident17 Ų1740.5 Ų40.58%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-124.8128.3171.7174.5-172.1159.900108.5P16 F17 G18 R48 T49 W68 S69P16-E58 VanDerWaalsContact C-OE1 3.28Å; P16-E58 VanDerWaalsContact CA-OE1 3.23Å; P16-E58 WeakPolarHBondContact CA-OE1 3.42Å; P16-E58 WeakPolarHBondContact CB-OE1 3.02Å; F17-E58 WeakPolarHBondContact CB-OE2 3.18Å; F17-E58 WeakPolarHBondContact CD2-OE2 3.2Å; F17-E58 PolarHBondContact N-OE1 3.35Å; F17-E58 PolarHBondContact N-OE2 3.44Å; G18-E58 PolarHBondContact N-OE1 2.85Å; R48-E58 WeakPolarHBondContact O-CA 3.48Å; T49-E58 HydrophobicContact CG2-CB 4.17Å; T49-E58 HydrophobicContact CG2-CG 4.22Å; E58-W68 CarbonylContact O-C 3.52Å; E58-W68 WeakPolarHBondContact O-CA 3.46Å; E58-S69 PolarHBondContact N-O 2.87Å; E58-S69 PolarHBondContact O-N 3.37Å
59L91.1Very high82.9Confident0 Ų037.7 Ų37.70%024%0.239CC..EExtended strand (participates in β ladder)trans-112.4106.2170.2-17872.1000108.3W47 R48 W50 I61 I66 W68 A92 L124W47-L59 CarbonylContact C-O 3.56Å; W47-L59 WeakPolarHBondContact CA-O 3.4Å; W47-L59 VanDerWaalsContact CB-O 3.28Å; W47-L59 WeakPolarHBondContact CB-O 3.44Å; R48-L59 PolarHBondContact N-O 2.73Å; R48-L59 PolarHBondContact O-N 3.39Å; W50-L59 HydrophobicContact CH2-CB 3.91Å; W50-L59 HydrophobicContact CZ3-CB 3.64Å; L59-I61 HydrophobicContact CD2-CD1 4.37Å; L59-I61 HydrophobicContact CG-CD1 4.46Å; L59-I66 HydrophobicContact CD1-CG2 3.75Å; L59-W68 HydrophobicContact CD1-CB 3.95Å; L59-A92 HydrophobicContact CD2-CB 3.88Å; L59-A92 WeakPolarHBondContact CD2-O 3.41Å; L59-L124 HydrophobicContact CD1-CD1 4.12Å; L59-L124 HydrophobicContact CD1-CD2 4.13Å; L59-L124 HydrophobicContact CD2-CD1 3.71Å
60Y91.8Very high82.9Confident6 Ų638.2 Ų38.22%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-100.7131.8178.6-178.3-95.6000110.4P16 C19 L22 D45 W47 I66 V67P16-Y60 HydrophobicContact CB-CD2 3.73Å; P16-Y60 HydrophobicContact CB-CE2 4.02Å; P16-Y60 HydrophobicContact CG-CD2 4.18Å; P16-Y60 HydrophobicContact CG-CE2 3.94Å; C19-Y60 HydrophobicContact CB-CD2 4.36Å; C19-Y60 HydrophobicContact CB-CE1 4.05Å; C19-Y60 HydrophobicContact CB-CE2 3.69Å; C19-Y60 VanDerWaalsContact CB-CZ 3.5Å; C19-Y60 WeakPolarHBondContact CB-OH 3.47Å; C19-Y60 PolarHBondContact SG-OH 3.03Å; C19-Y60 VanDerWaalsContact SG-OH 3.4Å; L22-Y60 HydrophobicContact CD1-CD1 4.2Å; L22-Y60 HydrophobicContact CD1-CE1 3.85Å; D45-Y60 HydrophobicContact CB-CE2 4.33Å; D45-Y60 WeakPolarHBondContact CB-OH 3.35Å; D45-Y60 PolarHBondContact OD2-OH 3.34Å; D45-Y60 VanDerWaalsContact OD2-OH 3.13Å; W47-Y60 HydrophobicContact CB-CD2 3.94Å; W47-Y60 HydrophobicContact CE3-CD2 4.28Å; W47-Y60 HydrophobicContact CE3-CE2 4.23Å; Y60-I66 WeakPolarHBondContact O-CA 3.25Å; Y60-V67 PolarHBondContact N-O 3.07Å; Y60-V67 PolarHBondContact O-N 2.97Å
61I91.5Very high82.6Confident0 Ų035.9 Ų35.90%024%0.238CC..EExtended strand (participates in β ladder)trans-123.7119.2-177.4-61.5148.3000108D45 F46 L59 T65 I66 I89 A92D45-I61 WeakPolarHBondContact CA-O 3.29Å; F46-I61 HydrophobicContact CD1-CG2 4.5Å; F46-I61 HydrophobicContact CD2-CB 4.35Å; F46-I61 HydrophobicContact CD2-CD1 3.81Å; F46-I61 HydrophobicContact CE1-CB 4.21Å; F46-I61 HydrophobicContact CE1-CG2 3.82Å; F46-I61 HydrophobicContact CE2-CB 4.1Å; F46-I61 HydrophobicContact CE2-CD1 3.2Å; F46-I61 HydrophobicContact CE2-CG1 4.23Å; F46-I61 HydrophobicContact CE2-CG2 4.32Å; F46-I61 HydrophobicContact CZ-CB 4Å; F46-I61 HydrophobicContact CZ-CD1 3.72Å; F46-I61 HydrophobicContact CZ-CG1 4.43Å; F46-I61 HydrophobicContact CZ-CG2 3.72Å; F46-I61 PolarHBondContact N-O 3.12Å; F46-I61 PolarHBondContact O-N 3.42Å; L59-I61 HydrophobicContact CD2-CD1 4.37Å; L59-I61 HydrophobicContact CG-CD1 4.46Å; I61-T65 WeakPolarHBondContact CA-O 3.47Å; I61-I66 HydrophobicContact CB-CG1 4.4Å; I61-I66 HydrophobicContact CG1-CD1 4.15Å; I61-I66 HydrophobicContact CG1-CG1 3.56Å; I61-I66 HydrophobicContact CG2-CG1 4.48Å; I61-I89 HydrophobicContact CG2-CB 3.96Å; I61-I89 HydrophobicContact CG2-CD1 4.14Å; I61-I89 HydrophobicContact CG2-CG2 3.97Å; I61-A92 HydrophobicContact CD1-CB 3.87Å
62S90Very high82.5Confident26 Ų2636.5 Ų36.518%0.18223%0.232CC..EExtended strand (participates in β ladder)trans-120.799.7172.5-176.50000110D45 N64 T65D45-S62 VanDerWaalsContact OD1-CA 3.24Å; D45-S62 WeakPolarHBondContact OD1-CA 3.4Å; D45-S62 WeakPolarHBondContact OD1-CB 3.49Å; D45-S62 PolarHBondContact OD1-OG 3Å; S62-N64 VanDerWaalsContact C-N 3.28Å; S62-N64 PolarHBondContact O-N 2.83Å; S62-T65 PolarHBondContact N-O 3.46Å; S62-T65 PolarHBondContact O-N 2.82Å
63R87.1Confident82.3Confident146 Ų14637.2 Ų37.255%0.55123%0.229SC*.THydrogen-bonded Turntrans53.1-76.7178.7-159.6-173.4-176.9162.93.7114.6P88 I89R63-P88 HydrophobicContact CG-CB 4.35Å; R63-P88 CarbonylContact O-C 3.55Å; R63-P88 VanDerWaalsContact O-CA 3.25Å; R63-P88 WeakPolarHBondContact O-CA 3.43Å; R63-I89 PolarHBondContact O-N 3.32Å
64N90.1Very high82.1Confident41 Ų4139.6 Ų39.622%0.21923%0.225CC..THydrogen-bonded Turntrans-114.7-9.4-177.7-73.736.7000113S62 F85 D86 P88S62-N64 VanDerWaalsContact C-N 3.28Å; S62-N64 PolarHBondContact O-N 2.83Å; N64-F85 WeakPolarHBondContact CB-O 3.09Å; N64-F85 PolarHBondContact ND2-O 3.37Å; N64-F85 PolarHBondContact O-N 3.47Å; N64-D86 PolarHBondContact ND2-O 3.2Å; N64-P88 WeakPolarHBondContact OD1-CA 3.44Å
65T91.2Very high81.8Confident26 Ų2638.6 Ų38.616%0.1621%0.21CC..EExtended strand (participates in β ladder)trans-110.5135.9-173.3-56.10000110.3L22 I61 S62 V67 V82 L83 N84L22-T65 HydrophobicContact CD1-CG2 4.12Å; L22-T65 HydrophobicContact CD2-CG2 3.69Å; I61-T65 WeakPolarHBondContact CA-O 3.47Å; S62-T65 PolarHBondContact N-O 3.46Å; S62-T65 PolarHBondContact O-N 2.82Å; T65-V67 HydrophobicContact CG2-CG2 4.39Å; T65-V82 HydrophobicContact CG2-CG1 4.38Å; T65-L83 CarbonylContact C-O 3.36Å; T65-L83 VanDerWaalsContact CA-O 3.31Å; T65-L83 WeakPolarHBondContact CA-O 3.34Å; T65-N84 VanDerWaalsContact CB-OD1 3.32Å; T65-N84 WeakPolarHBondContact CB-OD1 3.41Å; T65-N84 WeakPolarHBondContact CG2-OD1 3.26Å; T65-N84 PolarHBondContact OG1-OD1 2.98Å
66I92.3Very high81Confident0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-111.8135170.1-93.9166.6000108.8L59 Y60 I61 V82 L83 I89 A92 I126L59-I66 HydrophobicContact CD1-CG2 3.75Å; Y60-I66 WeakPolarHBondContact O-CA 3.25Å; I61-I66 HydrophobicContact CB-CG1 4.4Å; I61-I66 HydrophobicContact CG1-CD1 4.15Å; I61-I66 HydrophobicContact CG1-CG1 3.56Å; I61-I66 HydrophobicContact CG2-CG1 4.48Å; I66-V82 CarbonylContact O-C 3.51Å; I66-V82 VanDerWaalsContact O-CA 3.31Å; I66-V82 WeakPolarHBondContact O-CA 3.35Å; I66-L83 HydrophobicContact CB-CB 4.48Å; I66-L83 PolarHBondContact N-O 3.31Å; I66-L83 PolarHBondContact O-N 3.14Å; I66-I89 HydrophobicContact CB-CD1 4.46Å; I66-I89 HydrophobicContact CD1-CD1 3.71Å; I66-I89 HydrophobicContact CD1-CG2 4.42Å; I66-I89 HydrophobicContact CG1-CD1 3.71Å; I66-A92 HydrophobicContact CD1-CB 3.61Å; I66-I126 HydrophobicContact CD1-CB 4.31Å; I66-I126 HydrophobicContact CD1-CD1 3.81Å; I66-I126 HydrophobicContact CD1-CG1 3.72Å; I66-I126 HydrophobicContact CD1-CG2 3.68Å
67V92.1Very high80.5Confident1 Ų139.7 Ų39.71%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-124.3116.2167.9-177.90000107.7Y21 L22 Y60 T65 P79 V82Y21-V67 HydrophobicContact CD1-CG1 4.28Å; Y21-V67 HydrophobicContact CD1-CG2 4.24Å; L22-V67 HydrophobicContact CD1-CG2 4.22Å; L22-V67 HydrophobicContact CD2-CG2 3.73Å; L22-V67 HydrophobicContact CG-CG2 3.84Å; Y60-V67 PolarHBondContact N-O 3.07Å; Y60-V67 PolarHBondContact O-N 2.97Å; T65-V67 HydrophobicContact CG2-CG2 4.39Å; V67-P79 HydrophobicContact CG1-CB 3.91Å; V67-V82 HydrophobicContact CG1-CG2 4.24Å; V67-V82 HydrophobicContact CG2-CG1 4.26Å; V67-V82 HydrophobicContact CG2-CG2 4.33Å
68W90.9Very high79.9Confident36 Ų3647.1 Ų47.114%0.13626%0.259CS..EExtended strand (participates in β ladder)trans-102.6119.7169.4178.112.9000108.5W50 N57 E58 L59 P79 E80 L81 L124W50-W68 HydrophobicContact CZ2-CZ2 4.42Å; W50-W68 AromaticContact CZ2-NE1 3.92Å; N57-W68 PolarHBondContact OD1-NE1 3.37Å; E58-W68 CarbonylContact O-C 3.52Å; E58-W68 WeakPolarHBondContact O-CA 3.46Å; L59-W68 HydrophobicContact CD1-CB 3.95Å; W68-P79 CarbonylContact O-C 3.58Å; W68-P79 WeakPolarHBondContact O-CA 3.2Å; W68-E80 PolarHBondContact O-N 3.46Å; W68-L81 HydrophobicContact CB-CB 4.19Å; W68-L81 HydrophobicContact CE3-CB 4.15Å; W68-L81 HydrophobicContact CE3-CD2 4.04Å; W68-L81 PolarHBondContact N-O 3.32Å; W68-L81 PolarHBondContact O-N 3Å; W68-L124 HydrophobicContact CE3-CD2 4.43Å
69S88.4Confident79.7Confident4 Ų448.2 Ų48.23%0.02827%0.267CS..EExtended strand (participates in β ladder)trans-117.8140.6175.453.20000111.2N57 E58N57-S69 WeakPolarHBondContact CA-O 3.28Å; E58-S69 PolarHBondContact N-O 2.87Å; E58-S69 PolarHBondContact O-N 3.37Å
70C83.6Confident79.4Confident35 Ų3554.1 Ų54.124%0.23630%0.295CS..EExtended strand (participates in β ladder)trans-119.7135.1174.2-174.60000109F56 N57 S77 F78F56-C70 WeakPolarHBondContact O-CA 3.36Å; N57-C70 WeakPolarHBondContact OD1-CB 3.41Å; N57-C70 PolarHBondContact OD1-SG 3.18Å; N57-C70 VanDerWaalsContact OD1-SG 3.39Å; C70-S77 WeakPolarHBondContact O-CB 3.48Å; C70-F78 PolarHBondContact N-O 3.47Å
71G74.3Confident79.2Confident12 Ų1256 Ų5612%0.12431%0.305CS..EExtended strand (participates in β ladder)trans-161.7-179.6179.800000113.2F56F56-G71 PolarHBondContact N-O 3.37Å; F56-G71 PolarHBondContact O-N 3.37Å
72T67.5Low79.2Confident60 Ų6058.4 Ų58.437%0.36832%0.319SS..  trans-98.4158.6168.457.30000109.2L55 T74 A75L55-T72 HydrophobicContact CD2-CG2 3.77Å; T72-T74 PolarHBondContact O-N 3.2Å; T72-A75 PolarHBondContact O-N 3.17Å; T72-A75 WeakPolarHBondContact OG1-CB 3.29Å; T72-A75 PolarHBondContact OG1-N 3.33Å
73E61Low79.2Confident91 Ų9159.2 Ų59.243%0.42532%0.321SS..THydrogen-bonded Turntrans-56.3-21.4-177.9-65.3-175.4148.300114.1F56 R855F56-E73 HydrophobicContact CD2-CB 4.5Å; F56-E73 HydrophobicContact CD2-CG 3.25Å; F56-E73 HydrophobicContact CE2-CG 3.17Å; F56-E73 WeakPolarHBondContact CE2-OE1 3.43Å; F56-E73 HydrophobicContact CG-CG 4.23Å; F56-E73 HydrophobicContact CZ-CG 4.11Å; F56-E73 VanDerWaalsContact CZ-OE1 3.24Å; F56-E73 WeakPolarHBondContact CZ-OE1 3.34Å; E73-R855 IonicContact OE1-NH2 2.83Å
74T55.8Low79.4Confident139 Ų13957.9 Ų57.985%0.85333%0.325SS*.THydrogen-bonded Turntrans-114.2-12-173.254.20000114.7T72T72-T74 PolarHBondContact O-N 3.2Å
75A58.4Low79.4Confident50 Ų5057.5 Ų57.541%0.41332%0.322SS..SBendtrans-114.7144.1-178.400000111.1T72 S77T72-A75 PolarHBondContact O-N 3.17Å; T72-A75 WeakPolarHBondContact OG1-CB 3.29Å; T72-A75 PolarHBondContact OG1-N 3.33Å; A75-S77 PolarHBondContact O-N 3.33Å
76C53Low79.2Confident110 Ų11063.2 Ų63.274%0.74335%0.351SS*.PPolyproline II helixtrans-52.5122.2175.7-61.80000110.2
77S67.8Low79Confident19 Ų1965.6 Ų65.613%0.13337%0.366CS..PPolyproline II helixtrans-76.8141.4174.254.70000109.6F17 C70 A75F17-S77 WeakPolarHBondContact CB-OG 3.4Å; F17-S77 WeakPolarHBondContact CD1-OG 3.41Å; F17-S77 VanDerWaalsContact CD2-OG 3.29Å; F17-S77 WeakPolarHBondContact CD2-OG 3.25Å; F17-S77 WeakPolarHBondContact CG-OG 3.34Å; C70-S77 WeakPolarHBondContact O-CB 3.48Å; A75-S77 PolarHBondContact O-N 3.33Å
78F72.2Confident78.9Confident171 Ų17169 Ų6975%0.7539%0.388SS*.EExtended strand (participates in β ladder)trans-100.1144.5167.1-81.7-85.2000108.7C70 E80C70-F78 PolarHBondContact N-O 3.47Å; F78-E80 PolarHBondContact O-N 2.89Å
79P82.7Confident79Confident39 Ų3967.8 Ų67.825%0.25338%0.384SS..EExtended strand (participates in β ladder)trans-66.2126.3173.328.2-33000109.5Y21 V67 W68 V82Y21-P79 HydrophobicContact CD2-CG 3.68Å; Y21-P79 HydrophobicContact CE1-CG 4.38Å; Y21-P79 HydrophobicContact CE2-CG 3.53Å; Y21-P79 HydrophobicContact CG-CG 4.17Å; V67-P79 HydrophobicContact CG1-CB 3.91Å; W68-P79 CarbonylContact O-C 3.58Å; W68-P79 WeakPolarHBondContact O-CA 3.2Å; P79-V82 HydrophobicContact CB-CG2 3.96Å
80E84.9Confident79Confident125 Ų12569.3 Ų69.358%0.58439%0.392SS*.EExtended strand (participates in β ladder)trans-83.9-35.7175.8-170171.3-17200110.5W68 F78W68-E80 PolarHBondContact O-N 3.46Å; F78-E80 PolarHBondContact O-N 2.89Å
81L88.9Confident79.4Confident44 Ų4467.8 Ų67.823%0.2338%0.381CS..EExtended strand (participates in β ladder)trans-145.3132.2-178.1-17968.3000110.9W68 L83 L124 I135W68-L81 HydrophobicContact CB-CB 4.19Å; W68-L81 HydrophobicContact CE3-CB 4.15Å; W68-L81 HydrophobicContact CE3-CD2 4.04Å; W68-L81 PolarHBondContact N-O 3.32Å; W68-L81 PolarHBondContact O-N 3Å; L81-L83 HydrophobicContact CD1-CD1 4.32Å; L81-L83 HydrophobicContact CD1-CD2 4.08Å; L81-L83 HydrophobicContact CD1-CG 4.02Å; L81-L83 HydrophobicContact CD2-CD1 3.81Å; L81-L83 HydrophobicContact CD2-CG 4.28Å; L81-L83 HydrophobicContact CG-CD1 4.06Å; L81-L83 HydrophobicContact CG-CG 3.96Å; L81-L124 HydrophobicContact CD2-CD2 4.08Å; L81-I135 HydrophobicContact CD2-CD1 4.27Å
82V90.7Very high80.3Confident51 Ų5167.2 Ų67.231%0.30938%0.375SS..EExtended strand (participates in β ladder)trans-128.2125.4172.3-177.40000108.5Y21 T65 I66 V67 P79Y21-V82 HydrophobicContact CD1-CG2 4.36Å; Y21-V82 HydrophobicContact CE1-CG1 4.47Å; Y21-V82 HydrophobicContact CE1-CG2 3.73Å; T65-V82 HydrophobicContact CG2-CG1 4.38Å; I66-V82 CarbonylContact O-C 3.51Å; I66-V82 VanDerWaalsContact O-CA 3.31Å; I66-V82 WeakPolarHBondContact O-CA 3.35Å; V67-V82 HydrophobicContact CG1-CG2 4.24Å; V67-V82 HydrophobicContact CG2-CG1 4.26Å; V67-V82 HydrophobicContact CG2-CG2 4.33Å; P79-V82 HydrophobicContact CB-CG2 3.96Å
83L90.6Very high81.5Confident43 Ų4364.9 Ų64.923%0.22536%0.36CS..EExtended strand (participates in β ladder)trans-131.5138.7-176.8-66.2171.8000110.8T65 I66 L81 F85 I126 I135T65-L83 CarbonylContact C-O 3.36Å; T65-L83 VanDerWaalsContact CA-O 3.31Å; T65-L83 WeakPolarHBondContact CA-O 3.34Å; I66-L83 HydrophobicContact CB-CB 4.48Å; I66-L83 PolarHBondContact N-O 3.31Å; I66-L83 PolarHBondContact O-N 3.14Å; L81-L83 HydrophobicContact CD1-CD1 4.32Å; L81-L83 HydrophobicContact CD1-CD2 4.08Å; L81-L83 HydrophobicContact CD1-CG 4.02Å; L81-L83 HydrophobicContact CD2-CD1 3.81Å; L81-L83 HydrophobicContact CD2-CG 4.28Å; L81-L83 HydrophobicContact CG-CD1 4.06Å; L81-L83 HydrophobicContact CG-CG 3.96Å; L83-F85 HydrophobicContact CB-CD2 4.38Å; L83-F85 HydrophobicContact CB-CE2 3.63Å; L83-F85 HydrophobicContact CB-CZ 4.3Å; L83-F85 HydrophobicContact CD1-CE2 4.24Å; L83-F85 HydrophobicContact CD1-CZ 4.23Å; L83-I126 HydrophobicContact CD1-CD1 3.77Å; L83-I135 HydrophobicContact CD1-CD1 3.33Å
84N91.2Very high82.9Confident119 Ų11964.3 Ų64.364%0.63636%0.356SS*.EExtended strand (participates in β ladder)trans-116.8130.7174.8-72.2-37.4000109.6T65T65-N84 VanDerWaalsContact CB-OD1 3.32Å; T65-N84 WeakPolarHBondContact CB-OD1 3.41Å; T65-N84 WeakPolarHBondContact CG2-OD1 3.26Å; T65-N84 PolarHBondContact OG1-OD1 2.98Å
85F89.9Confident84.6Confident33 Ų3358 Ų5815%0.14532%0.317CS..  trans-112.8153.4-179.9-68.5-94.7000111.5N64 L83 T87 I89 I126 T133N64-F85 WeakPolarHBondContact CB-O 3.09Å; N64-F85 PolarHBondContact ND2-O 3.37Å; N64-F85 PolarHBondContact O-N 3.47Å; L83-F85 HydrophobicContact CB-CD2 4.38Å; L83-F85 HydrophobicContact CB-CE2 3.63Å; L83-F85 HydrophobicContact CB-CZ 4.3Å; L83-F85 HydrophobicContact CD1-CE2 4.24Å; L83-F85 HydrophobicContact CD1-CZ 4.23Å; F85-T87 VanDerWaalsContact C-N 3.34Å; F85-I89 HydrophobicContact CD2-CD1 3.8Å; F85-I89 HydrophobicContact CD2-CG1 4.24Å; F85-I89 HydrophobicContact CE2-CD1 4.35Å; F85-I89 HydrophobicContact CG-CG1 4.49Å; F85-I126 HydrophobicContact CE1-CG2 4.29Å; F85-I126 HydrophobicContact CE2-CD1 3.86Å; F85-I126 HydrophobicContact CE2-CG2 3.96Å; F85-I126 HydrophobicContact CZ-CB 4.28Å; F85-I126 HydrophobicContact CZ-CD1 3.53Å; F85-I126 HydrophobicContact CZ-CG1 4.48Å; F85-I126 HydrophobicContact CZ-CG2 3.83Å; F85-T133 HydrophobicContact CE1-CG2 4.46Å
86D87.1Confident86.2Confident146 Ų14656.7 Ų56.778%0.78131%0.305SS*.SBendtrans-71.6-32.2179.6-64.6-30.3000111.9N64N64-D86 PolarHBondContact ND2-O 3.2Å
87T88.3Confident88Confident49 Ų4951.5 Ų51.530%0.30127%0.27SS..SBendtrans-118.3156.5-178810000111.2F85 E128F85-T87 VanDerWaalsContact C-N 3.34Å; T87-E128 WeakPolarHBondContact CB-OE1 3.47Å; T87-E128 PolarHBondContact N-OE1 3.16Å; T87-E128 WeakPolarHBondContact OG1-CB 3.45Å; T87-E128 WeakPolarHBondContact OG1-CG 3.33Å; T87-E128 PolarHBondContact OG1-OE1 2.98Å
88P90.4Very high89Confident72 Ų7251.6 Ų51.647%0.46827%0.268SS..  trans-66.6139.6-176.726.4-34.8000111.7R63 N64R63-P88 HydrophobicContact CG-CB 4.35Å; R63-P88 CarbonylContact O-C 3.55Å; R63-P88 VanDerWaalsContact O-CA 3.25Å; R63-P88 WeakPolarHBondContact O-CA 3.43Å; N64-P88 WeakPolarHBondContact OD1-CA 3.44Å
89I91.6Very high89.6Confident11 Ų1145.4 Ų45.46%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-78.9128.8179.8-58.4165.1000108.5I61 R63 I66 F85 I126I61-I89 HydrophobicContact CG2-CB 3.96Å; I61-I89 HydrophobicContact CG2-CD1 4.14Å; I61-I89 HydrophobicContact CG2-CG2 3.97Å; R63-I89 PolarHBondContact O-N 3.32Å; I66-I89 HydrophobicContact CB-CD1 4.46Å; I66-I89 HydrophobicContact CD1-CD1 3.71Å; I66-I89 HydrophobicContact CD1-CG2 4.42Å; I66-I89 HydrophobicContact CG1-CD1 3.71Å; F85-I89 HydrophobicContact CD2-CD1 3.8Å; F85-I89 HydrophobicContact CD2-CG1 4.24Å; F85-I89 HydrophobicContact CE2-CD1 4.35Å; F85-I89 HydrophobicContact CG-CG1 4.49Å; I89-I126 HydrophobicContact CD1-CG2 4.43Å; I89-I126 HydrophobicContact CG1-CG2 4.31Å; I89-I126 HydrophobicContact CG2-CG2 4.09Å
90I90.2Very high89.5Confident37 Ų3746.3 Ų46.319%0.1925%0.249CC..EExtended strand (participates in β ladder)trans-83.1-46.8175.4-65.7-173.5000110.6F127 S129 I150I90-F127 PolarHBondContact N-O 3.38Å; I90-S129 VanDerWaalsContact CD1-CA 3.46Å; I90-I150 HydrophobicContact CD1-CB 4.19Å; I90-I150 WeakPolarHBondContact CD1-O 3.4Å
91D91.8Very high88.9Confident3 Ų343.8 Ų43.82%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-159.7157.4178.9-142.2-29.3000110.8R48 F93 F127 K579R48-D91 IonicContact CZ-OD1 3.91Å; R48-D91 IonicContact NE-OD1 3.4Å; R48-D91 PolarHBondContact NE-OD1 3.19Å; R48-D91 IonicContact NH2-OD1 2.82Å; R48-D91 PolarHBondContact NH2-OD1 3.28Å; R48-D91 IonicContact NH2-OD2 2.83Å; R48-D91 PolarHBondContact NH2-OD2 3.41Å; D91-F93 HydrophobicContact CB-CE1 4.48Å; D91-F127 PolarHBondContact O-N 2.86Å; D91-K579 IonicContact OD2-NZ 3.64Å; D91-K579 PolarHBondContact OD2-NZ 3.39Å
92A92.9Very high87.7Confident0 Ų046.7 Ų46.70%027%0.265CS..EExtended strand (participates in β ladder)trans-150.7144169.200000110.8R48 L59 I61 I66 S125 I126R48-A92 WeakPolarHBondContact CD-O 2.88Å; R48-A92 PolarHBondContact NE-O 2.91Å; L59-A92 HydrophobicContact CD2-CB 3.88Å; L59-A92 WeakPolarHBondContact CD2-O 3.41Å; I61-A92 HydrophobicContact CD1-CB 3.87Å; I66-A92 HydrophobicContact CD1-CB 3.61Å; A92-S125 CarbonylContact C-O 3.57Å; A92-S125 WeakPolarHBondContact CA-O 3.37Å; A92-S125 WeakPolarHBondContact CB-O 3.21Å; A92-I126 HydrophobicContact CB-CB 4.37Å; A92-I126 HydrophobicContact CB-CG1 4.07Å; A92-I126 HydrophobicContact CB-CG2 4.39Å
93F91.9Very high86.1Confident11 Ų1154.2 Ų54.25%0.04830%0.296CS..EExtended strand (participates in β ladder)trans-164.2160.7-179.247-100.6000111.2D91 S125 F127 V153 A155 I160D91-F93 HydrophobicContact CB-CE1 4.48Å; F93-S125 PolarHBondContact N-O 3.06Å; F93-S125 PolarHBondContact O-N 3.33Å; F93-F127 HydrophobicContact CE1-CD2 4.33Å; F93-F127 HydrophobicContact CE1-CE2 4.17Å; F93-F127 HydrophobicContact CE2-CE2 4.21Å; F93-F127 HydrophobicContact CZ-CD2 4.23Å; F93-F127 AromaticContact CZ-CE2 3.61Å; F93-F127 HydrophobicContact CZ-CE2 3.61Å; F93-F127 HydrophobicContact CZ-CZ 4.48Å; F93-V153 HydrophobicContact CE1-CB 4.08Å; F93-V153 HydrophobicContact CE1-CG1 3.99Å; F93-V153 HydrophobicContact CZ-CB 4.2Å; F93-V153 HydrophobicContact CZ-CG1 3.6Å; F93-A155 HydrophobicContact CD2-CB 3.48Å; F93-A155 VanDerWaalsContact CD2-CB 3.48Å; F93-A155 HydrophobicContact CE2-CB 3.24Å; F93-A155 HydrophobicContact CG-CB 4.47Å; F93-A155 HydrophobicContact CZ-CB 4.04Å; F93-I160 HydrophobicContact CE2-CD1 4.12Å; F93-I160 HydrophobicContact CZ-CD1 4.49Å; F93-I160 HydrophobicContact CZ-CG2 4.49Å
94K90.5Very high84.2Confident79 Ų7954.4 Ų54.434%0.34330%0.301SS..EExtended strand (participates in β ladder)trans-67.8133.3170.2-161.3169.8-171.71780109.7E122 G123 D137K94-E122 IonicContact NZ-OE2 3.32Å; K94-G123 CarbonylContact C-O 3.46Å; K94-G123 WeakPolarHBondContact CA-O 3.46Å; K94-G123 WeakPolarHBondContact CG-O 3.45Å; K94-D137 IonicContact NZ-OD1 2.51Å; K94-D137 IonicContact NZ-OD2 3.67Å; K94-D137 PolarHBondContact NZ-OD2 2.99Å
95S92.1Very high82.4Confident6 Ų653.1 Ų53.14%0.04232%0.316CS..EExtended strand (participates in β ladder)trans-140.1156.9-178.360.50000110.5G123 S125S95-G123 PolarHBondContact N-O 3.39Å; S95-G123 PolarHBondContact O-N 3.27Å; S95-G123 VanDerWaalsContact O-O 3.07Å; S95-S125 WeakPolarHBondContact OG-CB 3.46Å; S95-S125 PolarHBondContact OG-OG 3.49Å
96S91.3Very high80.6Confident23 Ų2357.1 Ų57.116%0.16134%0.335CS..EExtended strand (participates in β ladder)trans-129.8139.4-179.943.20000111Q121 N157 T158S96-Q121 CarbonylContact C-O 3.53Å; S96-Q121 WeakPolarHBondContact CA-O 3.38Å; S96-N157 WeakPolarHBondContact CB-O 3.27Å; S96-N157 PolarHBondContact OG-O 3.02Å; S96-T158 CarbonylContact O-C 3.51Å; S96-T158 VanDerWaalsContact O-CA 3.28Å; S96-T158 WeakPolarHBondContact O-CA 3.4Å
97F90.7Very high79.5Confident0 Ų052.3 Ų52.30%032%0.319CS..EExtended strand (participates in β ladder)trans-122.3146.7176.4-60.8-70.9000109.7I120 Q121 M132 F134 I160 T193 P195F97-I120 CarbonylContact O-C 3.6Å; F97-I120 WeakPolarHBondContact O-CA 3.45Å; F97-Q121 PolarHBondContact N-O 3.45Å; F97-Q121 PolarHBondContact O-N 3.14Å; F97-M132 HydrophobicContact CE2-CE 4.26Å; F97-M132 HydrophobicContact CZ-CE 3.82Å; F97-F134 HydrophobicContact CD2-CD1 4.41Å; F97-F134 HydrophobicContact CD2-CD2 4.35Å; F97-F134 HydrophobicContact CD2-CE1 4.07Å; F97-F134 AromaticContact CD2-CE2 3.97Å; F97-F134 HydrophobicContact CD2-CE2 3.97Å; F97-F134 AromaticContact CD2-CZ 3.82Å; F97-F134 HydrophobicContact CD2-CZ 3.82Å; F97-F134 HydrophobicContact CE2-CD1 4.3Å; F97-F134 AromaticContact CE2-CD2 3.73Å; F97-F134 HydrophobicContact CE2-CD2 3.73Å; F97-F134 HydrophobicContact CE2-CE1 4.32Å; F97-F134 AromaticContact CE2-CE2 3.72Å; F97-F134 HydrophobicContact CE2-CE2 3.72Å; F97-F134 HydrophobicContact CE2-CG 4.01Å; F97-F134 HydrophobicContact CE2-CZ 4.04Å; F97-I160 HydrophobicContact CE1-CD1 4.1Å; F97-I160 HydrophobicContact CE1-CG1 4Å; F97-I160 HydrophobicContact CE2-CD1 4.5Å; F97-I160 HydrophobicContact CZ-CD1 3.54Å; F97-I160 HydrophobicContact CZ-CG1 3.97Å; F97-T193 WeakPolarHBondContact CD1-O 3.21Å; F97-P195 HydrophobicContact CD2-CG 4.16Å; F97-P195 HydrophobicContact CE2-CG 3.7Å; F97-P195 HydrophobicContact CZ-CG 4.09Å
98F88.3Confident78.7Confident22 Ų2251 Ų5110%0.09631%0.31CS..EExtended strand (participates in β ladder)trans-99.8125.7176.4-179.4-111.2000110.6P100 L109 V112 I116 I120 T158F98-P100 HydrophobicContact CD1-CG 4.06Å; F98-P100 HydrophobicContact CE1-CB 4.17Å; F98-P100 HydrophobicContact CE1-CG 3.82Å; F98-L109 HydrophobicContact CD1-CD1 4.38Å; F98-L109 HydrophobicContact CE1-CD1 3.87Å; F98-V112 HydrophobicContact CB-CG2 3.85Å; F98-V112 HydrophobicContact CD1-CG2 3.98Å; F98-V112 HydrophobicContact CD2-CB 4.21Å; F98-V112 HydrophobicContact CD2-CG1 3.55Å; F98-V112 HydrophobicContact CD2-CG2 3.56Å; F98-V112 HydrophobicContact CE1-CG2 4.45Å; F98-V112 HydrophobicContact CE2-CB 4.45Å; F98-V112 HydrophobicContact CE2-CG1 3.46Å; F98-V112 VanDerWaalsContact CE2-CG1 3.46Å; F98-V112 HydrophobicContact CE2-CG2 4.07Å; F98-V112 HydrophobicContact CG-CG1 4.36Å; F98-V112 HydrophobicContact CG-CG2 3.5Å; F98-V112 HydrophobicContact CZ-CG1 4.22Å; F98-V112 HydrophobicContact CZ-CG2 4.49Å; F98-I116 HydrophobicContact CE1-CG2 4Å; F98-I116 HydrophobicContact CZ-CB 4.32Å; F98-I116 HydrophobicContact CZ-CG2 3.63Å; F98-I120 HydrophobicContact CD2-CG1 4.12Å; F98-T158 HydrophobicContact CB-CG2 4.04Å
99L85.7Confident78Confident40 Ų4049.3 Ų49.321%0.20930%0.296CS..EExtended strand (participates in β ladder)trans-109.6103.3175.8-67.5176.3000109.3G118 R119 Q121L99-G118 CarbonylContact O-C 3.57Å; L99-G118 WeakPolarHBondContact O-CA 3.21Å; L99-R119 HydrophobicContact CB-CG 3.83Å; L99-R119 HydrophobicContact CD1-CG 4.17Å; L99-R119 PolarHBondContact N-O 2.89Å; L99-R119 PolarHBondContact O-N 2.93Å; L99-Q121 HydrophobicContact CD1-CB 4.08Å; L99-Q121 HydrophobicContact CG-CB 4.48Å
100P80.3Confident76.8Confident59 Ų5949.7 Ų49.738%0.38330%0.3SS..EExtended strand (participates in β ladder)trans-60.5142.8176.3-19.430.8000111.9F98 L102F98-P100 HydrophobicContact CD1-CG 4.06Å; F98-P100 HydrophobicContact CE1-CB 4.17Å; F98-P100 HydrophobicContact CE1-CG 3.82Å; P100-L102 WeakPolarHBondContact CB-O 3.35Å
101A73.2Confident75.8Confident72 Ų7249.7 Ų49.760%0.59530%0.297SS*.SBendtrans-73.9-30.1-179.700000113P117A101-P117 HydrophobicContact CB-CB 4.1Å; A101-P117 PolarHBondContact N-O 3.35Å
102L63.7Low74.8Confident105 Ų10551.2 Ų51.255%0.5531%0.307SS..SBendtrans-111.7150.5173.9-73153.5000108.1P100 S104P100-L102 WeakPolarHBondContact CB-O 3.35Å; L102-S104 PolarHBondContact O-N 3.15Å
103H55.8Low73.6Confident208 Ų20853.6 Ų53.696%0.96332%0.32SS*.  trans-68.264163.8-69.771.1000108.5G105H103-G105 PolarHBondContact O-N 2.92Å
104S51.4Low72.1Confident48 Ų4858.3 Ų58.334%0.33634%0.342SS..  trans-66.6125.1171.554.30000105.7L102 Q106L102-S104 PolarHBondContact O-N 3.15Å; S104-Q106 CarbonylContact O-C 3.6Å; S104-Q106 PolarHBondContact O-N 3.13Å
105G52.6Low70.7Confident92 Ų9260.1 Ų60.195%0.94836%0.355SS*.SBendtrans-58.21.417000000113.3H103 G107H103-G105 PolarHBondContact O-N 2.92Å; G105-G107 VanDerWaalsContact C-N 3.3Å; G105-G107 PolarHBondContact O-N 3.08Å
106Q53Low69.6Low117 Ų11762.1 Ų62.155%0.54737%0.365SS..  trans-69.486162-68.3175.4-12.900109S104S104-Q106 CarbonylContact O-C 3.6Å; S104-Q106 PolarHBondContact O-N 3.13Å
107G63.3Low68.6Low44 Ų4464.6 Ų64.645%0.45438%0.381SS..  trans-53.7-175.816400000113.1G105 K252G105-G107 VanDerWaalsContact C-N 3.3Å; G105-G107 PolarHBondContact O-N 3.08Å; G107-K252 WeakPolarHBondContact O-CE 3.4Å; G107-K252 PolarHBondContact O-NZ 2.84Å
108F72.6Confident68.1Low22 Ų2266.3 Ų66.310%0.09640%0.398CS..  trans-18.7124.3-173.7178.1-109.3000117.4P110 T158 L159 T193 L250 K252 K468 V469F108-P110 HydrophobicContact CE1-CB 3.83Å; F108-P110 HydrophobicContact CE1-CG 4.49Å; F108-P110 HydrophobicContact CZ-CB 4.15Å; F108-T158 WeakPolarHBondContact CE2-OG1 3.45Å; F108-L159 HydrophobicContact CD2-CD2 4.32Å; F108-L159 HydrophobicContact CE1-CD2 3.95Å; F108-L159 HydrophobicContact CE2-CB 3.93Å; F108-L159 HydrophobicContact CE2-CD2 3.61Å; F108-L159 HydrophobicContact CE2-CG 4.1Å; F108-L159 HydrophobicContact CZ-CB 4.43Å; F108-L159 HydrophobicContact CZ-CD2 3.39Å; F108-L159 HydrophobicContact CZ-CG 4.09Å; F108-T193 HydrophobicContact CB-CG2 4.05Å; F108-T193 HydrophobicContact CD2-CG2 3.47Å; F108-T193 VanDerWaalsContact CD2-CG2 3.47Å; F108-T193 HydrophobicContact CE2-CG2 4.25Å; F108-T193 HydrophobicContact CG-CG2 3.96Å; F108-L250 HydrophobicContact CE1-CD2 4.3Å; F108-L250 HydrophobicContact CZ-CD2 3.99Å; F108-K252 WeakPolarHBondContact O-CD 3.48Å; F108-K252 VanDerWaalsContact O-CG 3.23Å; F108-K252 WeakPolarHBondContact O-CG 3.22Å; F108-K468 HydrophobicContact CB-CB 4.16Å; F108-V469 HydrophobicContact CD1-CG2 3.75Å; F108-V469 HydrophobicContact CE1-CG2 3.98Å; F108-V469 HydrophobicContact CG-CG2 4.14Å
109L74.3Confident67.9Low36 Ų3672.3 Ų72.319%0.18842%0.42CS..  trans-106.8116.2174.1-73.9163000110.1F98 Y111 I116 T158F98-L109 HydrophobicContact CD1-CD1 4.38Å; F98-L109 HydrophobicContact CE1-CD1 3.87Å; L109-Y111 VanDerWaalsContact C-N 3.28Å; L109-Y111 PolarHBondContact O-N 3.12Å; L109-I116 HydrophobicContact CD1-CD1 4.05Å; L109-I116 HydrophobicContact CD1-CG2 3.76Å; L109-T158 PolarHBondContact O-OG1 3.46Å
110P67.7Low67.9Low19 Ų1974.5 Ų74.512%0.12343%0.431CS..SBendtrans-68.6-29.7179.325.6-32.5000112.2F108 N233F108-P110 HydrophobicContact CE1-CB 3.83Å; F108-P110 HydrophobicContact CE1-CG 4.49Å; F108-P110 HydrophobicContact CZ-CB 4.15Å; P110-N233 PolarHBondContact O-ND2 3.32Å
111Y69.7Low68.3Low37 Ų3772 Ų7215%0.14541%0.414CS..  trans-123.4127.4177.6-70.4-79.2000109.8L109 L232 N233 K628 F630L109-Y111 VanDerWaalsContact C-N 3.28Å; L109-Y111 PolarHBondContact O-N 3.12Å; Y111-L232 PolarHBondContact OH-O 3.18Å; Y111-N233 WeakPolarHBondContact CE1-ND2 3.35Å; Y111-K628 HydrophobicContact CD1-CD 4.34Å; Y111-K628 HydrophobicContact CE1-CD 4.1Å; Y111-F630 HydrophobicContact CE2-CE2 4.08Å; Y111-F630 HydrophobicContact CE2-CZ 4.18Å
112V69.9Low69.1Low36 Ų3672.7 Ų72.722%0.21841%0.406CS..  trans-108.5115.9174.6177.60000107.7F98 I120 T158F98-V112 HydrophobicContact CB-CG2 3.85Å; F98-V112 HydrophobicContact CD1-CG2 3.98Å; F98-V112 HydrophobicContact CD2-CB 4.21Å; F98-V112 HydrophobicContact CD2-CG1 3.55Å; F98-V112 HydrophobicContact CD2-CG2 3.56Å; F98-V112 HydrophobicContact CE1-CG2 4.45Å; F98-V112 HydrophobicContact CE2-CB 4.45Å; F98-V112 HydrophobicContact CE2-CG1 3.46Å; F98-V112 VanDerWaalsContact CE2-CG1 3.46Å; F98-V112 HydrophobicContact CE2-CG2 4.07Å; F98-V112 HydrophobicContact CG-CG1 4.36Å; F98-V112 HydrophobicContact CG-CG2 3.5Å; F98-V112 HydrophobicContact CZ-CG1 4.22Å; F98-V112 HydrophobicContact CZ-CG2 4.49Å; V112-I120 HydrophobicContact CG1-CD1 4.16Å; V112-I120 HydrophobicContact CG1-CG1 4.3Å; V112-T158 HydrophobicContact CG2-CG2 3.71Å
113N66.8Low70.5Confident50 Ų5067.7 Ų67.727%0.26738%0.379SS..  trans-105.4162.4174.7-66.19.2000109.1N115 I116N113-N115 PolarHBondContact O-N 3.27Å; N113-I116 PolarHBondContact O-N 3.43Å
114E61.2Low72.3Confident109 Ų10958 Ų5851%0.50933%0.334SS..THydrogen-bonded Turntrans-57.5-21.4178.2-68.7176.9-167.300113.6I116E114-I116 VanDerWaalsContact C-N 3.34Å
115N61.5Low74.4Confident117 Ų11755.7 Ų55.763%0.62632%0.319SS*.THydrogen-bonded Turntrans-80.8-11-180-60.2-7.3000113.7N113 P117N113-N115 PolarHBondContact O-N 3.27Å; N115-P117 WeakPolarHBondContact O-CD 3.4Å
116I69.2Low76.4Confident48 Ų4851.4 Ų51.425%0.24627%0.274CS..SBendtrans-89.8116.9-177.8-52.5-174.2000108.2F98 L109 N113 E114 G118F98-I116 HydrophobicContact CE1-CG2 4Å; F98-I116 HydrophobicContact CZ-CB 4.32Å; F98-I116 HydrophobicContact CZ-CG2 3.63Å; L109-I116 HydrophobicContact CD1-CD1 4.05Å; L109-I116 HydrophobicContact CD1-CG2 3.76Å; N113-I116 PolarHBondContact O-N 3.43Å; E114-I116 VanDerWaalsContact C-N 3.34Å; I116-G118 PolarHBondContact O-N 3.37Å
117P70.1Confident78.4Confident76 Ų7645.8 Ų45.849%0.49425%0.248SC..  trans-68117.3-177.428.2-34.7000110.3A101 N115A101-P117 HydrophobicContact CB-CB 4.1Å; A101-P117 PolarHBondContact N-O 3.35Å; N115-P117 WeakPolarHBondContact O-CD 3.4Å
118G79.4Confident79.8Confident36 Ų3644.1 Ų44.137%0.37123%0.228SC..EExtended strand (participates in β ladder)trans168179.7-178.600000111.6L99 I116L99-G118 CarbonylContact O-C 3.57Å; L99-G118 WeakPolarHBondContact O-CA 3.21Å; I116-G118 PolarHBondContact O-N 3.37Å
119R84.3Confident80.5Confident148 Ų14845.3 Ų45.356%0.55824%0.239SC*.EExtended strand (participates in β ladder)trans-122.7142.6173.867.6-179.3-172.1168.47.8110L99L99-R119 HydrophobicContact CB-CG 3.83Å; L99-R119 HydrophobicContact CD1-CG 4.17Å; L99-R119 PolarHBondContact N-O 2.89Å; L99-R119 PolarHBondContact O-N 2.93Å
120I85.8Confident81.2Confident86 Ų8645 Ų4544%0.44124%0.237SC..EExtended strand (participates in β ladder)trans-87.8124.1167.4-62.5173.6000106.7F97 F98 V112 E122F97-I120 CarbonylContact O-C 3.6Å; F97-I120 WeakPolarHBondContact O-CA 3.45Å; F98-I120 HydrophobicContact CD2-CG1 4.12Å; V112-I120 HydrophobicContact CG1-CD1 4.16Å; V112-I120 HydrophobicContact CG1-CG1 4.3Å; I120-E122 HydrophobicContact CG2-CG 3.87Å
121Q89.6Confident82.3Confident5 Ų549.5 Ų49.52%0.02325%0.251CS..EExtended strand (participates in β ladder)trans-96.3110.7173.1-167.4177.123.200108.2S96 F97 L99 F134 D136 H194S96-Q121 CarbonylContact C-O 3.53Å; S96-Q121 WeakPolarHBondContact CA-O 3.38Å; F97-Q121 PolarHBondContact N-O 3.45Å; F97-Q121 PolarHBondContact O-N 3.14Å; L99-Q121 HydrophobicContact CD1-CB 4.08Å; L99-Q121 HydrophobicContact CG-CB 4.48Å; Q121-F134 HydrophobicContact CG-CE1 3.95Å; Q121-F134 HydrophobicContact CG-CZ 4.26Å; Q121-D136 HydrophobicContact CG-CB 4.43Å; Q121-D136 WeakPolarHBondContact CG-OD2 3.36Å; Q121-D136 PolarHBondContact NE2-OD2 3.22Å; Q121-H194 PolarHBondContact OE1-NE2 2.96Å
122E90.4Very high83.5Confident88 Ų8847.8 Ų47.841%0.41125%0.245SC..EExtended strand (participates in β ladder)trans-102.4146.2177.7-57.8-162.5162.900110.4K94 I120 D136 D137K94-E122 IonicContact NZ-OE2 3.32Å; I120-E122 HydrophobicContact CG2-CG 3.87Å; E122-D136 VanDerWaalsContact O-OD1 3.14Å; E122-D137 PolarHBondContact O-N 3.37Å
123G91.8Very high84.6Confident0 Ų046.7 Ų46.70%024%0.238CC..EExtended strand (participates in β ladder)trans179.7-176179.500000113.9K94 S95 F134 I135K94-G123 CarbonylContact C-O 3.46Å; K94-G123 WeakPolarHBondContact CA-O 3.46Å; K94-G123 WeakPolarHBondContact CG-O 3.45Å; S95-G123 PolarHBondContact N-O 3.39Å; S95-G123 PolarHBondContact O-N 3.27Å; S95-G123 VanDerWaalsContact O-O 3.07Å; G123-F134 VanDerWaalsContact C-CE2 3.5Å; G123-F134 VanDerWaalsContact CA-CE2 3.47Å; G123-I135 CarbonylContact C-O 3.52Å; G123-I135 WeakPolarHBondContact CA-O 3.45Å
124L93.9Very high86Confident4 Ų444.3 Ų44.32%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-91.4117.3178.4-177.963.9000110.8L59 W68 L81 I126 F134 I135L59-L124 HydrophobicContact CD1-CD1 4.12Å; L59-L124 HydrophobicContact CD1-CD2 4.13Å; L59-L124 HydrophobicContact CD2-CD1 3.71Å; W68-L124 HydrophobicContact CE3-CD2 4.43Å; L81-L124 HydrophobicContact CD2-CD2 4.08Å; L124-I126 HydrophobicContact CD2-CD1 4.01Å; L124-I126 HydrophobicContact CD2-CG1 4.23Å; L124-I126 HydrophobicContact CG-CD1 4.28Å; L124-I126 HydrophobicContact CG-CG1 4.01Å; L124-F134 CarbonylContact O-C 3.57Å; L124-F134 WeakPolarHBondContact O-CA 3.26Å; L124-I135 PolarHBondContact N-O 3.29Å; L124-I135 PolarHBondContact O-N 3.1Å
125S94.9Very high87.6Confident0 Ų040.6 Ų40.60%021%0.208CC..EExtended strand (participates in β ladder)trans-96131.1170.4-76.30000111.1A92 F93 S95 M132 F134A92-S125 CarbonylContact C-O 3.57Å; A92-S125 WeakPolarHBondContact CA-O 3.37Å; A92-S125 WeakPolarHBondContact CB-O 3.21Å; F93-S125 PolarHBondContact N-O 3.06Å; F93-S125 PolarHBondContact O-N 3.33Å; S95-S125 WeakPolarHBondContact OG-CB 3.46Å; S95-S125 PolarHBondContact OG-OG 3.49Å; S125-M132 WeakPolarHBondContact OG-CE 3.45Å; S125-F134 WeakPolarHBondContact OG-CD2 3.28Å
126I95.2Very high89Confident1 Ų135.7 Ų35.71%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-125.7126.7-177.2-54.8167.6000108.2I66 L83 F85 I89 A92 L124 M132 T133 I135I66-I126 HydrophobicContact CD1-CB 4.31Å; I66-I126 HydrophobicContact CD1-CD1 3.81Å; I66-I126 HydrophobicContact CD1-CG1 3.72Å; I66-I126 HydrophobicContact CD1-CG2 3.68Å; L83-I126 HydrophobicContact CD1-CD1 3.77Å; F85-I126 HydrophobicContact CE1-CG2 4.29Å; F85-I126 HydrophobicContact CE2-CD1 3.86Å; F85-I126 HydrophobicContact CE2-CG2 3.96Å; F85-I126 HydrophobicContact CZ-CB 4.28Å; F85-I126 HydrophobicContact CZ-CD1 3.53Å; F85-I126 HydrophobicContact CZ-CG1 4.48Å; F85-I126 HydrophobicContact CZ-CG2 3.83Å; I89-I126 HydrophobicContact CD1-CG2 4.43Å; I89-I126 HydrophobicContact CG1-CG2 4.31Å; I89-I126 HydrophobicContact CG2-CG2 4.09Å; A92-I126 HydrophobicContact CB-CB 4.37Å; A92-I126 HydrophobicContact CB-CG1 4.07Å; A92-I126 HydrophobicContact CB-CG2 4.39Å; L124-I126 HydrophobicContact CD2-CD1 4.01Å; L124-I126 HydrophobicContact CD2-CG1 4.23Å; L124-I126 HydrophobicContact CG-CD1 4.28Å; L124-I126 HydrophobicContact CG-CG1 4.01Å; I126-M132 CarbonylContact O-C 3.56Å; I126-M132 WeakPolarHBondContact O-CA 3.49Å; I126-T133 PolarHBondContact N-O 3.42Å; I126-T133 PolarHBondContact O-N 3.39Å; I126-I135 HydrophobicContact CD1-CD1 4.23Å
127F94.5Very high89.8Confident0 Ų037.5 Ų37.50%019%0.192CC..EExtended strand (participates in β ladder)trans-114.9120.4-176.2-67.9-88.3000111.2I90 D91 F93 M132 I146 I150 V153 I160 L162I90-F127 PolarHBondContact N-O 3.38Å; D91-F127 PolarHBondContact O-N 2.86Å; F93-F127 HydrophobicContact CE1-CD2 4.33Å; F93-F127 HydrophobicContact CE1-CE2 4.17Å; F93-F127 HydrophobicContact CE2-CE2 4.21Å; F93-F127 HydrophobicContact CZ-CD2 4.23Å; F93-F127 AromaticContact CZ-CE2 3.61Å; F93-F127 HydrophobicContact CZ-CE2 3.61Å; F93-F127 HydrophobicContact CZ-CZ 4.48Å; F127-M132 HydrophobicContact CD1-CB 3.91Å; F127-M132 HydrophobicContact CD1-CG 3.96Å; F127-M132 HydrophobicContact CD1-SD 4.46Å; F127-M132 HydrophobicContact CE1-CB 3.77Å; F127-M132 HydrophobicContact CE1-CE 4.31Å; F127-M132 HydrophobicContact CE1-CG 3.49Å; F127-M132 VanDerWaalsContact CE1-CG 3.49Å; F127-M132 HydrophobicContact CE1-SD 3.45Å; F127-M132 WeakPolarHBondContact CE1-SD 3.44Å; F127-M132 HydrophobicContact CE2-CG 4.48Å; F127-M132 HydrophobicContact CZ-CE 3.77Å; F127-M132 HydrophobicContact CZ-CG 3.76Å; F127-M132 HydrophobicContact CZ-SD 3.53Å; F127-M132 VanDerWaalsContact CZ-SD 3.53Å; F127-I146 HydrophobicContact CD1-CD1 3.75Å; F127-I146 HydrophobicContact CE1-CD1 3.77Å; F127-I150 HydrophobicContact CB-CD1 4.49Å; F127-I150 HydrophobicContact CD1-CD1 3.83Å; F127-V153 HydrophobicContact CB-CG2 4.33Å; F127-V153 HydrophobicContact CD1-CG1 4.43Å; F127-V153 HydrophobicContact CD1-CG2 4.04Å; F127-V153 HydrophobicContact CD2-CB 4.4Å; F127-V153 HydrophobicContact CD2-CG1 4.09Å; F127-V153 HydrophobicContact CD2-CG2 4.2Å; F127-V153 HydrophobicContact CE1-CG1 4.09Å; F127-V153 HydrophobicContact CE1-CG2 4.44Å; F127-V153 HydrophobicContact CE2-CB 4.5Å; F127-V153 HydrophobicContact CE2-CG1 3.72Å; F127-V153 HydrophobicContact CG-CG1 4.44Å; F127-V153 HydrophobicContact CG-CG2 3.91Å; F127-V153 HydrophobicContact CZ-CG1 3.74Å; F127-I160 HydrophobicContact CE2-CD1 4.1Å; F127-I160 HydrophobicContact CZ-CD1 3.66Å; F127-I160 HydrophobicContact CZ-CG2 3.85Å; F127-L162 HydrophobicContact CD1-CD2 4.34Å; F127-L162 HydrophobicContact CE1-CD2 3.83Å
128E92.4Very high90.6Very high8 Ų839.1 Ų39.14%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-92.6177.3161.4-61.6177.3105.400109T87 E130 R131T87-E128 WeakPolarHBondContact CB-OE1 3.47Å; T87-E128 PolarHBondContact N-OE1 3.16Å; T87-E128 WeakPolarHBondContact OG1-CB 3.45Å; T87-E128 WeakPolarHBondContact OG1-CG 3.33Å; T87-E128 PolarHBondContact OG1-OE1 2.98Å; E128-E130 VanDerWaalsContact C-N 3.3Å; E128-E130 PolarHBondContact O-N 3.3Å; E128-R131 HydrophobicContact CB-CB 4.19Å; E128-R131 PolarHBondContact N-O 3.2Å; E128-R131 WeakPolarHBondContact OE2-CB 3.23Å; E128-R131 WeakPolarHBondContact OE2-CD 3.35Å
129S88.1Confident90.9Very high47 Ų4740 Ų4033%0.32921%0.213SC..SBendtrans-58.1-34.2-177.862.30000116.4I90 R149 I150I90-S129 VanDerWaalsContact CD1-CA 3.46Å; S129-R149 WeakPolarHBondContact O-CA 3.2Å; S129-I150 PolarHBondContact O-N 3.47Å
130E89Confident91.1Very high31 Ų3137.4 Ų37.415%0.14521%0.207CC..SBendtrans-134.512.3-176.2-63-178-169.500111.9E128 R145 I146 R149E128-E130 VanDerWaalsContact C-N 3.3Å; E128-E130 PolarHBondContact O-N 3.3Å; E130-R145 WeakPolarHBondContact O-CG 3.45Å; E130-R145 IonicContact OE2-CZ 2.64Å; E130-R145 IonicContact OE2-NH2 2.76Å; E130-R145 PolarHBondContact OE2-NH2 3.2Å; E130-I146 PolarHBondContact O-N 2.92Å; E130-R149 HydrophobicContact CG-CG 3.91Å; E130-R149 IonicContact OE1-CZ 3.31Å; E130-R149 IonicContact OE1-NE 2.78Å; E130-R149 PolarHBondContact OE1-NE 3.06Å; E130-R149 IonicContact OE1-NH2 2.99Å; E130-R149 PolarHBondContact OE1-NH2 3.01Å
131R91.3Very high91.4Very high112 Ų11239.7 Ų39.742%0.42322%0.216SC..EExtended strand (participates in β ladder)trans-143.8151-176.1-63.6178.5177.9178.9-1.4110.8E128 V144E128-R131 HydrophobicContact CB-CB 4.19Å; E128-R131 PolarHBondContact N-O 3.2Å; E128-R131 WeakPolarHBondContact OE2-CB 3.23Å; E128-R131 WeakPolarHBondContact OE2-CD 3.35Å; R131-V144 CarbonylContact C-O 3.5Å; R131-V144 WeakPolarHBondContact CA-O 3.26Å
132M93.4Very high91.6Very high2 Ų241.7 Ų41.71%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-126.4137.4171.2174.4-172173.600109F97 S125 I126 F127 F134 T143 V144 I146 I160 L192 P195F97-M132 HydrophobicContact CE2-CE 4.26Å; F97-M132 HydrophobicContact CZ-CE 3.82Å; S125-M132 WeakPolarHBondContact OG-CE 3.45Å; I126-M132 CarbonylContact O-C 3.56Å; I126-M132 WeakPolarHBondContact O-CA 3.49Å; F127-M132 HydrophobicContact CD1-CB 3.91Å; F127-M132 HydrophobicContact CD1-CG 3.96Å; F127-M132 HydrophobicContact CD1-SD 4.46Å; F127-M132 HydrophobicContact CE1-CB 3.77Å; F127-M132 HydrophobicContact CE1-CE 4.31Å; F127-M132 HydrophobicContact CE1-CG 3.49Å; F127-M132 VanDerWaalsContact CE1-CG 3.49Å; F127-M132 HydrophobicContact CE1-SD 3.45Å; F127-M132 WeakPolarHBondContact CE1-SD 3.44Å; F127-M132 HydrophobicContact CE2-CG 4.48Å; F127-M132 HydrophobicContact CZ-CE 3.77Å; F127-M132 HydrophobicContact CZ-CG 3.76Å; F127-M132 HydrophobicContact CZ-SD 3.53Å; F127-M132 VanDerWaalsContact CZ-SD 3.53Å; M132-F134 HydrophobicContact CE-CB 4.13Å; M132-T143 CarbonylContact O-C 3.54Å; M132-T143 WeakPolarHBondContact O-CA 3.42Å; M132-V144 PolarHBondContact N-O 3.49Å; M132-V144 PolarHBondContact O-N 2.94Å; M132-I146 HydrophobicContact CB-CD1 3.68Å; M132-I146 HydrophobicContact CB-CG1 4.18Å; M132-I160 HydrophobicContact CE-CD1 3.75Å; M132-L192 HydrophobicContact CE-CD2 4.05Å; M132-L192 HydrophobicContact SD-CD2 3.21Å; M132-L192 WeakPolarHBondContact SD-CD2 3.38Å; M132-P195 HydrophobicContact CE-CG 4.18Å
133T94.7Very high91.6Very high12 Ų1241.3 Ų41.37%0.07423%0.227CC..EExtended strand (participates in β ladder)trans-119.5123.8169.1-59.10000108.7F85 I126 I135 Y142 T143F85-T133 HydrophobicContact CE1-CG2 4.46Å; I126-T133 PolarHBondContact N-O 3.42Å; I126-T133 PolarHBondContact O-N 3.39Å; T133-I135 HydrophobicContact CG2-CG1 4.3Å; T133-Y142 CarbonylContact C-O 3.57Å; T133-Y142 VanDerWaalsContact CA-O 3.3Å; T133-Y142 WeakPolarHBondContact CA-O 3.27Å; T133-T143 PolarHBondContact OG1-OG1 3.33Å
134F95.1Very high91.6Very high0 Ų043.3 Ų43.30%024%0.24CC..EExtended strand (participates in β ladder)trans-109.7132.9173.5177.5-113.9000109.4F97 Q121 G123 L124 S125 M132 D136 H141 Y142 P195F97-F134 HydrophobicContact CD2-CD1 4.41Å; F97-F134 HydrophobicContact CD2-CD2 4.35Å; F97-F134 HydrophobicContact CD2-CE1 4.07Å; F97-F134 AromaticContact CD2-CE2 3.97Å; F97-F134 HydrophobicContact CD2-CE2 3.97Å; F97-F134 AromaticContact CD2-CZ 3.82Å; F97-F134 HydrophobicContact CD2-CZ 3.82Å; F97-F134 HydrophobicContact CE2-CD1 4.3Å; F97-F134 AromaticContact CE2-CD2 3.73Å; F97-F134 HydrophobicContact CE2-CD2 3.73Å; F97-F134 HydrophobicContact CE2-CE1 4.32Å; F97-F134 AromaticContact CE2-CE2 3.72Å; F97-F134 HydrophobicContact CE2-CE2 3.72Å; F97-F134 HydrophobicContact CE2-CG 4.01Å; F97-F134 HydrophobicContact CE2-CZ 4.04Å; Q121-F134 HydrophobicContact CG-CE1 3.95Å; Q121-F134 HydrophobicContact CG-CZ 4.26Å; G123-F134 VanDerWaalsContact C-CE2 3.5Å; G123-F134 VanDerWaalsContact CA-CE2 3.47Å; L124-F134 CarbonylContact O-C 3.57Å; L124-F134 WeakPolarHBondContact O-CA 3.26Å; S125-F134 WeakPolarHBondContact OG-CD2 3.28Å; M132-F134 HydrophobicContact CE-CB 4.13Å; F134-D136 HydrophobicContact CE1-CB 4.3Å; F134-H141 CarbonylContact O-C 3.56Å; F134-H141 WeakPolarHBondContact O-CA 3.32Å; F134-Y142 AromaticContact CD1-CD2 3.81Å; F134-Y142 HydrophobicContact CD1-CD2 3.81Å; F134-Y142 HydrophobicContact CD1-CE2 4.37Å; F134-Y142 PolarHBondContact N-O 3.39Å; F134-Y142 PolarHBondContact O-N 2.89Å; F134-P195 HydrophobicContact CB-CB 4.23Å; F134-P195 HydrophobicContact CB-CG 3.55Å; F134-P195 HydrophobicContact CD1-CG 3.72Å; F134-P195 HydrophobicContact CG-CG 3.75Å
135I94.5Very high91.4Very high31 Ų3149.4 Ų49.416%0.15926%0.262CS..EExtended strand (participates in β ladder)trans-121.6111.4177.2-56.3172.3000107.2L81 L83 G123 L124 I126 T133 E140 H141L81-I135 HydrophobicContact CD2-CD1 4.27Å; L83-I135 HydrophobicContact CD1-CD1 3.33Å; G123-I135 CarbonylContact C-O 3.52Å; G123-I135 WeakPolarHBondContact CA-O 3.45Å; L124-I135 PolarHBondContact N-O 3.29Å; L124-I135 PolarHBondContact O-N 3.1Å; I126-I135 HydrophobicContact CD1-CD1 4.23Å; T133-I135 HydrophobicContact CG2-CG1 4.3Å; I135-E140 CarbonylContact C-O 3.54Å; I135-E140 WeakPolarHBondContact CA-O 3.18Å; I135-H141 HydrophobicContact CG1-CB 4.06Å
136D91Very high91.2Very high14 Ų1449.7 Ų49.78%0.07526%0.264CS..EExtended strand (participates in β ladder)trans-63.3150.4175.3-170.4-22.8000110.3Q121 E122 F134 C138 G139 E140Q121-D136 HydrophobicContact CG-CB 4.43Å; Q121-D136 WeakPolarHBondContact CG-OD2 3.36Å; Q121-D136 PolarHBondContact NE2-OD2 3.22Å; E122-D136 VanDerWaalsContact O-OD1 3.14Å; F134-D136 HydrophobicContact CE1-CB 4.3Å; D136-C138 PolarHBondContact O-N 3.1Å; D136-C138 VanDerWaalsContact O-N 3.12Å; D136-C138 PolarHBondContact OD1-N 2.7Å; D136-G139 WeakPolarHBondContact O-CA 3.45Å; D136-G139 PolarHBondContact O-N 3.25Å; D136-E140 HydrophobicContact CB-CB 4.2Å; D136-E140 PolarHBondContact N-O 3.35Å
137D87Confident90.4Very high87 Ų8750.6 Ų50.647%0.46527%0.269SS..THydrogen-bonded Turntrans-56.5-22.3169.6-70.5-8000111.7K94 E122 G139K94-D137 IonicContact NZ-OD1 2.51Å; K94-D137 IonicContact NZ-OD2 3.67Å; K94-D137 PolarHBondContact NZ-OD2 2.99Å; E122-D137 PolarHBondContact O-N 3.37Å; D137-G139 VanDerWaalsContact C-N 3.3Å
138C85.6Confident90Very high109 Ų10950.7 Ų50.774%0.73627%0.27SS*.THydrogen-bonded Turntrans-77.3-8171.4-580000114.7D136D136-C138 PolarHBondContact O-N 3.1Å; D136-C138 VanDerWaalsContact O-N 3.12Å; D136-C138 PolarHBondContact OD1-N 2.7Å
139G85.6Confident89.9Confident54 Ų5456.1 Ų56.156%0.55729%0.29SS*.SBendtrans90-0.3-178.300000115.6D136 D137D136-G139 WeakPolarHBondContact O-CA 3.45Å; D136-G139 PolarHBondContact O-N 3.25Å; D137-G139 VanDerWaalsContact C-N 3.3Å
140E90.1Very high90Very high94 Ų9454.1 Ų54.144%0.43928%0.276SS..  trans-69.6139.9170.3-65-170.915800110.3I135 D136 Y142I135-E140 CarbonylContact C-O 3.54Å; I135-E140 WeakPolarHBondContact CA-O 3.18Å; D136-E140 HydrophobicContact CB-CB 4.2Å; D136-E140 PolarHBondContact N-O 3.35Å; E140-Y142 HydrophobicContact CB-CE2 3.99Å; E140-Y142 PolarHBondContact OE2-OH 3.38Å
141H91.2Very high90Very high134 Ų13456.1 Ų56.162%0.6228%0.282SS*.EExtended strand (participates in β ladder)trans-126.6143.6178.670.3-82.7000112.5F134 I135F134-H141 CarbonylContact O-C 3.56Å; F134-H141 WeakPolarHBondContact O-CA 3.32Å; I135-H141 HydrophobicContact CG1-CB 4.06Å
142Y92.9Very high90Very high47 Ų4753.3 Ų53.318%0.18427%0.274CS..EExtended strand (participates in β ladder)trans-129.9117.7-177.4-55.9-92.5000108.6T133 F134 E140 L196T133-Y142 CarbonylContact C-O 3.57Å; T133-Y142 VanDerWaalsContact CA-O 3.3Å; T133-Y142 WeakPolarHBondContact CA-O 3.27Å; F134-Y142 AromaticContact CD1-CD2 3.81Å; F134-Y142 HydrophobicContact CD1-CD2 3.81Å; F134-Y142 HydrophobicContact CD1-CE2 4.37Å; F134-Y142 PolarHBondContact N-O 3.39Å; F134-Y142 PolarHBondContact O-N 2.89Å; E140-Y142 HydrophobicContact CB-CE2 3.99Å; E140-Y142 PolarHBondContact OE2-OH 3.38Å; Y142-L196 HydrophobicContact CD1-CD1 4.05Å; Y142-L196 HydrophobicContact CD1-CD2 3.96Å; Y142-L196 HydrophobicContact CD1-CG 3.95Å; Y142-L196 HydrophobicContact CE1-CD1 3.99Å; Y142-L196 HydrophobicContact CE1-CG 4.37Å
143T92.4Very high90Very high81 Ų8153.4 Ų53.450%0.49728%0.275SS..EExtended strand (participates in β ladder)trans-111.7121.9175.3-58.20000109.9M132 T133M132-T143 CarbonylContact O-C 3.54Å; M132-T143 WeakPolarHBondContact O-CA 3.42Å; T133-T143 PolarHBondContact OG1-OG1 3.33Å
144V91Very high89.9Confident42 Ų4255.1 Ų55.126%0.25528%0.28SS..EExtended strand (participates in β ladder)trans-130.9144.9-174.4-179.30000111R131 M132 P195 L196R131-V144 CarbonylContact C-O 3.5Å; R131-V144 WeakPolarHBondContact CA-O 3.26Å; M132-V144 PolarHBondContact N-O 3.49Å; M132-V144 PolarHBondContact O-N 2.94Å; V144-P195 WeakPolarHBondContact CG1-O 3.34Å; V144-P195 HydrophobicContact CG2-CB 4.46Å; V144-P195 WeakPolarHBondContact CG2-O 3.28Å; V144-L196 HydrophobicContact CG2-CD2 4.43Å
145R90.2Very high89.8Confident132 Ų13256.3 Ų56.350%0.49829%0.29SS..EExtended strand (participates in β ladder)trans-84129.9177.1-168.9178.8-174.5129.48.7110E130E130-R145 WeakPolarHBondContact O-CG 3.45Å; E130-R145 IonicContact OE2-CZ 2.64Å; E130-R145 IonicContact OE2-NH2 2.76Å; E130-R145 PolarHBondContact OE2-NH2 3.2Å
146I89Confident89.6Confident6 Ų655 Ų553%0.03128%0.283CS..  trans-88.8135.4176.6-67.3-173.9000109.3F127 E130 M132 C148 I150 L162F127-I146 HydrophobicContact CD1-CD1 3.75Å; F127-I146 HydrophobicContact CE1-CD1 3.77Å; E130-I146 PolarHBondContact O-N 2.92Å; M132-I146 HydrophobicContact CB-CD1 3.68Å; M132-I146 HydrophobicContact CB-CG1 4.18Å; I146-C148 WeakPolarHBondContact CG2-O 3.4Å; I146-C148 PolarHBondContact O-N 3.31Å; I146-C148 VanDerWaalsContact O-N 3.15Å; I146-I150 HydrophobicContact CB-CD1 4.23Å; I146-I150 HydrophobicContact CD1-CD1 3.29Å; I146-I150 HydrophobicContact CD1-CG1 4.29Å; I146-I150 HydrophobicContact CG1-CD1 4.27Å; I146-I150 HydrophobicContact CG2-CD1 3.95Å; I146-I150 HydrophobicContact CG2-CG1 3.86Å; I146-L162 HydrophobicContact CD1-CD1 4.25Å; I146-L162 HydrophobicContact CD1-CD2 4.22Å; I146-L162 HydrophobicContact CG2-CD1 4.23Å
147P80Confident89.2Confident19 Ų1957.2 Ų57.212%0.12330%0.295CS..SBendtrans-73.5-4.6-170.731.1-39.7000114.6A199 Y360 I361P147-A199 HydrophobicContact CG-CB 4.04Å; P147-Y360 HydrophobicContact CB-CD1 3.75Å; P147-Y360 HydrophobicContact CB-CE1 3.26Å; P147-I361 WeakPolarHBondContact O-CG1 3.31Å
148C85Confident89.2Confident2 Ų253.4 Ų53.41%0.01427%0.274CS..SBendtrans-144.5163.8-179.366.50000110.9I146 I150 R164 F190 I361I146-C148 WeakPolarHBondContact CG2-O 3.4Å; I146-C148 PolarHBondContact O-N 3.31Å; I146-C148 VanDerWaalsContact O-N 3.15Å; C148-I150 PolarHBondContact O-N 3.08Å; C148-R164 HydrophobicContact CB-CG 3.93Å; C148-F190 HydrophobicContact CB-CE2 4.5Å; C148-I361 HydrophobicContact CB-CD1 3.96Å; C148-I361 HydrophobicContact CB-CG1 4.43Å
149R90.1Very high89.5Confident122 Ų12248.2 Ų48.246%0.4624%0.239SC..  trans-76126.2171.2-75-174.7178.7-179.8-0.2110.1S129 E130 Q165 L357S129-R149 WeakPolarHBondContact O-CA 3.2Å; E130-R149 HydrophobicContact CG-CG 3.91Å; E130-R149 IonicContact OE1-CZ 3.31Å; E130-R149 IonicContact OE1-NE 2.78Å; E130-R149 PolarHBondContact OE1-NE 3.06Å; E130-R149 IonicContact OE1-NH2 2.99Å; E130-R149 PolarHBondContact OE1-NH2 3.01Å; R149-Q165 HydrophobicContact CB-CB 4.28Å; R149-Q165 PolarHBondContact O-N 3.04Å; R149-L357 HydrophobicContact CG-CD2 4.12Å
150I90.5Very high89.9Confident5 Ų545.7 Ų45.73%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-82.7136.5-176.3-57.4167.5000109.3I90 F127 S129 I146 C148 V153 L162I90-I150 HydrophobicContact CD1-CB 4.19Å; I90-I150 WeakPolarHBondContact CD1-O 3.4Å; F127-I150 HydrophobicContact CB-CD1 4.49Å; F127-I150 HydrophobicContact CD1-CD1 3.83Å; S129-I150 PolarHBondContact O-N 3.47Å; I146-I150 HydrophobicContact CB-CD1 4.23Å; I146-I150 HydrophobicContact CD1-CD1 3.29Å; I146-I150 HydrophobicContact CD1-CG1 4.29Å; I146-I150 HydrophobicContact CG1-CD1 4.27Å; I146-I150 HydrophobicContact CG2-CD1 3.95Å; I146-I150 HydrophobicContact CG2-CG1 3.86Å; C148-I150 PolarHBondContact O-N 3.08Å; I150-V153 HydrophobicContact CG2-CG2 3.35Å; I150-L162 HydrophobicContact CD1-CD2 4.35Å
151R88.9Confident90.1Very high74 Ų7441.2 Ų41.228%0.27919%0.192SC..EExtended strand (participates in β ladder)trans-95.8-54.2167.2-172.4-155.8-172.1148.313.5110.8E163 Q165R151-E163 WeakPolarHBondContact CB-O 3.34Å; R151-E163 WeakPolarHBondContact CD-OE1 3.42Å; R151-E163 IonicContact CZ-OE1 3.05Å; R151-E163 PolarHBondContact N-O 2.94Å; R151-E163 IonicContact NE-OE1 3.8Å; R151-E163 IonicContact NH1-OE1 3.78Å; R151-E163 PolarHBondContact NH1-OE1 3.05Å; R151-Q165 HydrophobicContact CB-CB 4.16Å
152E91.2Very high90.2Very high52 Ų5234.9 Ų34.924%0.24316%0.163CC..EExtended strand (participates in β ladder)trans-144.7157.8-178.8-72.3-163.5168.100110.8W154 E163E152-W154 VanDerWaalsContact OE2-CZ2 3.25Å; E152-W154 WeakPolarHBondContact OE2-CZ2 3.3Å; E152-E163 HydrophobicContact CB-CB 4.38Å; E152-E163 PolarHBondContact N-O 3.4Å; E152-E163 PolarHBondContact O-N 3.34Å
153V93.7Very high90.2Very high5 Ų533.1 Ų33.13%0.0316%0.156CC..EExtended strand (participates in β ladder)trans-136.6140.2-175.7-169.20000109.9F93 F127 I150 I160 L161 L162F93-V153 HydrophobicContact CE1-CB 4.08Å; F93-V153 HydrophobicContact CE1-CG1 3.99Å; F93-V153 HydrophobicContact CZ-CB 4.2Å; F93-V153 HydrophobicContact CZ-CG1 3.6Å; F127-V153 HydrophobicContact CB-CG2 4.33Å; F127-V153 HydrophobicContact CD1-CG1 4.43Å; F127-V153 HydrophobicContact CD1-CG2 4.04Å; F127-V153 HydrophobicContact CD2-CB 4.4Å; F127-V153 HydrophobicContact CD2-CG1 4.09Å; F127-V153 HydrophobicContact CD2-CG2 4.2Å; F127-V153 HydrophobicContact CE1-CG1 4.09Å; F127-V153 HydrophobicContact CE1-CG2 4.44Å; F127-V153 HydrophobicContact CE2-CB 4.5Å; F127-V153 HydrophobicContact CE2-CG1 3.72Å; F127-V153 HydrophobicContact CG-CG1 4.44Å; F127-V153 HydrophobicContact CG-CG2 3.91Å; F127-V153 HydrophobicContact CZ-CG1 3.74Å; I150-V153 HydrophobicContact CG2-CG2 3.35Å; V153-I160 HydrophobicContact CG1-CG2 3.19Å; V153-L161 WeakPolarHBondContact CA-O 3.27Å; V153-L162 HydrophobicContact CG1-CD2 3.83Å; V153-L162 HydrophobicContact CG2-CD2 4.01Å
154W93.2Very high90.2Very high48 Ų4829.7 Ų29.718%0.18213%0.134CC..EExtended strand (participates in β ladder)trans-131.4118-179.4-53.489.4000111.4E152 L161 V225 I226 V228E152-W154 VanDerWaalsContact OE2-CZ2 3.25Å; E152-W154 WeakPolarHBondContact OE2-CZ2 3.3Å; W154-L161 HydrophobicContact CB-CB 4.17Å; W154-L161 PolarHBondContact N-O 3.02Å; W154-L161 PolarHBondContact O-N 3.1Å; W154-V225 HydrophobicContact CD2-CG1 3.8Å; W154-V225 VanDerWaalsContact CE2-CG1 3.48Å; W154-V225 HydrophobicContact CG-CG1 3.99Å; W154-V225 HydrophobicContact CZ2-CB 4.24Å; W154-V225 HydrophobicContact CZ2-CG1 3.96Å; W154-I226 VanDerWaalsContact CH2-C 3.48Å; W154-I226 WeakPolarHBondContact CH2-O 3.35Å; W154-V228 HydrophobicContact CB-CG1 3.73Å; W154-V228 HydrophobicContact CB-CG2 4.18Å; W154-V228 HydrophobicContact CD2-CG1 4.24Å; W154-V228 HydrophobicContact CE3-CG1 4.19Å; W154-V228 HydrophobicContact CE3-CG2 4.05Å; W154-V228 HydrophobicContact CG-CG1 4.08Å
155A92Very high90Very high25 Ų2530.5 Ų30.521%0.20714%0.135CC..EExtended strand (participates in β ladder)trans-77.4130.1170.500000111.4F93 V228F93-A155 HydrophobicContact CD2-CB 3.48Å; F93-A155 VanDerWaalsContact CD2-CB 3.48Å; F93-A155 HydrophobicContact CE2-CB 3.24Å; F93-A155 HydrophobicContact CG-CB 4.47Å; F93-A155 HydrophobicContact CZ-CB 4.04Å; A155-V228 WeakPolarHBondContact O-CG2 3.4Å
156L90.7Very high89.8Confident4 Ų425.6 Ų25.62%0.02112%0.121CC..  trans-110.6-177.3165.9-73150.4000108.6T158 L159 V228 V235 L250L156-T158 VanDerWaalsContact C-N 3.31Å; L156-T158 PolarHBondContact O-N 2.93Å; L156-L159 HydrophobicContact CB-CD1 4.06Å; L156-L159 HydrophobicContact CB-CG 4.23Å; L156-L159 HydrophobicContact CD1-CD1 3.41Å; L156-L159 VanDerWaalsContact CD1-CD1 3.41Å; L156-L159 HydrophobicContact CD1-CG 4.21Å; L156-L159 HydrophobicContact CG-CD1 4.3Å; L156-L159 PolarHBondContact N-O 2.97Å; L156-V228 HydrophobicContact CD2-CB 4.16Å; L156-V228 HydrophobicContact CD2-CG1 4.5Å; L156-V235 HydrophobicContact CD1-CG2 4.34Å; L156-L250 HydrophobicContact CD1-CD1 4.09Å; L156-L250 HydrophobicContact CD1-CD2 3.97Å
157N83.1Confident89.4Confident60 Ų6027.4 Ų27.432%0.32113%0.13SC..SBendtrans-62.7-32.9-173.5-75-11.4000114.4S96 A230S96-N157 WeakPolarHBondContact CB-O 3.27Å; S96-N157 PolarHBondContact OG-O 3.02Å; N157-A230 PolarHBondContact ND2-O 3.26Å; N157-A230 WeakPolarHBondContact OD1-CB 3.31Å; N157-A230 PolarHBondContact OD1-O 3.44Å
158T86.3Confident89Confident6 Ų630.5 Ų30.54%0.03715%0.146CC..SBendtrans-138.38.2-173.754.80000113.2S96 F98 F108 L109 V112 L156S96-T158 CarbonylContact O-C 3.51Å; S96-T158 VanDerWaalsContact O-CA 3.28Å; S96-T158 WeakPolarHBondContact O-CA 3.4Å; F98-T158 HydrophobicContact CB-CG2 4.04Å; F108-T158 WeakPolarHBondContact CE2-OG1 3.45Å; L109-T158 PolarHBondContact O-OG1 3.46Å; V112-T158 HydrophobicContact CG2-CG2 3.71Å; L156-T158 VanDerWaalsContact C-N 3.31Å; L156-T158 PolarHBondContact O-N 2.93Å
159L92Very high88.2Confident0 Ų035.5 Ų35.50%017%0.165CC..  trans-152.6167.7178.874.371.8000112F108 L156 L192 T193 L250 V469F108-L159 HydrophobicContact CD2-CD2 4.32Å; F108-L159 HydrophobicContact CE1-CD2 3.95Å; F108-L159 HydrophobicContact CE2-CB 3.93Å; F108-L159 HydrophobicContact CE2-CD2 3.61Å; F108-L159 HydrophobicContact CE2-CG 4.1Å; F108-L159 HydrophobicContact CZ-CB 4.43Å; F108-L159 HydrophobicContact CZ-CD2 3.39Å; F108-L159 HydrophobicContact CZ-CG 4.09Å; L156-L159 HydrophobicContact CB-CD1 4.06Å; L156-L159 HydrophobicContact CB-CG 4.23Å; L156-L159 HydrophobicContact CD1-CD1 3.41Å; L156-L159 VanDerWaalsContact CD1-CD1 3.41Å; L156-L159 HydrophobicContact CD1-CG 4.21Å; L156-L159 HydrophobicContact CG-CD1 4.3Å; L156-L159 PolarHBondContact N-O 2.97Å; L159-L192 WeakPolarHBondContact CA-O 3.32Å; L159-L192 WeakPolarHBondContact CB-O 3.48Å; L159-T193 HydrophobicContact CB-CG2 4.39Å; L159-L250 HydrophobicContact CD2-CD1 4.26Å; L159-L250 HydrophobicContact CD2-CD2 3.89Å; L159-L250 HydrophobicContact CD2-CG 4.46Å; L159-L250 HydrophobicContact CG-CD2 4.15Å; L159-V469 HydrophobicContact CD2-CB 4.49Å; L159-V469 HydrophobicContact CD2-CG1 4.13Å; L159-V469 HydrophobicContact CD2-CG2 3.54Å
160I94.2Very high87.2Confident1 Ų131.5 Ų31.51%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-118.8133171.7-61.6-178.2000110.2F93 F97 F127 M132 V153 L162 S191 L192F93-I160 HydrophobicContact CE2-CD1 4.12Å; F93-I160 HydrophobicContact CZ-CD1 4.49Å; F93-I160 HydrophobicContact CZ-CG2 4.49Å; F97-I160 HydrophobicContact CE1-CD1 4.1Å; F97-I160 HydrophobicContact CE1-CG1 4Å; F97-I160 HydrophobicContact CE2-CD1 4.5Å; F97-I160 HydrophobicContact CZ-CD1 3.54Å; F97-I160 HydrophobicContact CZ-CG1 3.97Å; F127-I160 HydrophobicContact CE2-CD1 4.1Å; F127-I160 HydrophobicContact CZ-CD1 3.66Å; F127-I160 HydrophobicContact CZ-CG2 3.85Å; M132-I160 HydrophobicContact CE-CD1 3.75Å; V153-I160 HydrophobicContact CG1-CG2 3.19Å; I160-L162 HydrophobicContact CG2-CD2 4.16Å; I160-S191 WeakPolarHBondContact O-CA 3.48Å; I160-L192 HydrophobicContact CB-CB 4.46Å; I160-L192 PolarHBondContact N-O 2.75Å; I160-L192 PolarHBondContact O-N 2.68Å
161L94.4Very high86.1Confident0 Ų034.6 Ų34.60%017%0.171CC..EExtended strand (participates in β ladder)trans-97.7130.8174.6-158.472.3000109.5V153 W154 M189 V202 V225 V235V153-L161 WeakPolarHBondContact CA-O 3.27Å; W154-L161 HydrophobicContact CB-CB 4.17Å; W154-L161 PolarHBondContact N-O 3.02Å; W154-L161 PolarHBondContact O-N 3.1Å; L161-M189 HydrophobicContact CD1-CG 3.85Å; L161-M189 HydrophobicContact CD1-SD 3.67Å; L161-M189 HydrophobicContact CD2-CE 4.03Å; L161-M189 HydrophobicContact CD2-CG 4.32Å; L161-M189 HydrophobicContact CD2-SD 3.57Å; L161-M189 VanDerWaalsContact CD2-SD 3.57Å; L161-M189 HydrophobicContact CG-CG 3.83Å; L161-M189 HydrophobicContact CG-SD 3.7Å; L161-V202 HydrophobicContact CD1-CG2 3.84Å; L161-V225 HydrophobicContact CD2-CG2 4.16Å; L161-V235 HydrophobicContact CD2-CG1 4.23Å; L161-V235 HydrophobicContact CD2-CG2 4.45Å
162L94.1Very high84.4Confident1 Ų140.1 Ų40.11%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-113.8119.5-177.8-57.9169000109.3F127 I146 I150 V153 I160 M189 F190 L192 A199F127-L162 HydrophobicContact CD1-CD2 4.34Å; F127-L162 HydrophobicContact CE1-CD2 3.83Å; I146-L162 HydrophobicContact CD1-CD1 4.25Å; I146-L162 HydrophobicContact CD1-CD2 4.22Å; I146-L162 HydrophobicContact CG2-CD1 4.23Å; I150-L162 HydrophobicContact CD1-CD2 4.35Å; V153-L162 HydrophobicContact CG1-CD2 3.83Å; V153-L162 HydrophobicContact CG2-CD2 4.01Å; I160-L162 HydrophobicContact CG2-CD2 4.16Å; L162-M189 VanDerWaalsContact O-CA 3.31Å; L162-M189 WeakPolarHBondContact O-CA 3.18Å; L162-F190 HydrophobicContact CB-CB 4.23Å; L162-F190 HydrophobicContact CD1-CB 4.39Å; L162-F190 PolarHBondContact N-O 3.07Å; L162-F190 PolarHBondContact O-N 3.25Å; L162-L192 HydrophobicContact CD1-CB 4.44Å; L162-A199 HydrophobicContact CD1-CB 4.37Å
163E92.7Very high82.6Confident11 Ų1142 Ų425%0.05120%0.199CC..EExtended strand (participates in β ladder)trans-91.5123169-173179.1141.500109.3R151 E152 V225R151-E163 WeakPolarHBondContact CB-O 3.34Å; R151-E163 WeakPolarHBondContact CD-OE1 3.42Å; R151-E163 IonicContact CZ-OE1 3.05Å; R151-E163 PolarHBondContact N-O 2.94Å; R151-E163 IonicContact NE-OE1 3.8Å; R151-E163 IonicContact NH1-OE1 3.78Å; R151-E163 PolarHBondContact NH1-OE1 3.05Å; E152-E163 HydrophobicContact CB-CB 4.38Å; E152-E163 PolarHBondContact N-O 3.4Å; E152-E163 PolarHBondContact O-N 3.34Å; E163-V225 PolarHBondContact OE2-N 2.96Å
164R91.2Very high80.4Confident9 Ų947.7 Ų47.73%0.03423%0.23CC..EExtended strand (participates in β ladder)trans-74.9141.4179.7-175.1-177.263.785.2-5.9111C148 P166 E170 F187 S188 F190C148-R164 HydrophobicContact CB-CG 3.93Å; R164-P166 WeakPolarHBondContact O-CD 3.43Å; R164-E170 IonicContact CZ-OE1 2.67Å; R164-E170 IonicContact CZ-OE2 3.47Å; R164-E170 IonicContact NH1-OE1 3.4Å; R164-E170 IonicContact NH1-OE2 3.05Å; R164-E170 PolarHBondContact NH1-OE2 3.17Å; R164-E170 VanDerWaalsContact NH2-CD 3.29Å; R164-E170 IonicContact NH2-OE1 3.6Å; R164-E170 PolarHBondContact NH2-OE1 3.5Å; R164-E170 IonicContact NH2-OE2 3.03Å; R164-E170 PolarHBondContact NH2-OE2 2.97Å; R164-F187 PolarHBondContact NE-O 3.44Å; R164-S188 PolarHBondContact N-O 2.97Å; R164-F190 HydrophobicContact CB-CE2 4.39Å
165Q88.5Confident78.1Confident58 Ų5850.6 Ų50.627%0.27125%0.248SC..PPolyproline II helixtrans-69121.6167-169.617712.200110.5R149 R151R149-Q165 HydrophobicContact CB-CB 4.28Å; R149-Q165 PolarHBondContact O-N 3.04Å; R151-Q165 HydrophobicContact CB-CB 4.16Å
166P84.6Confident76.2Confident30 Ų3054.9 Ų54.920%0.19527%0.274CS..PPolyproline II helixtrans-68.3143.2177.728-33.6000110.4R164 E170 V171 I221R164-P166 WeakPolarHBondContact O-CD 3.43Å; P166-E170 WeakPolarHBondContact CA-OE2 3.34Å; P166-V171 HydrophobicContact CB-CG2 4.08Å; P166-V171 HydrophobicContact CG-CG2 4.14Å; P166-I221 HydrophobicContact CB-CG2 4.24Å
167N80.2Confident73.9Confident44 Ų4461.9 Ų61.924%0.23531%0.312CS..PPolyproline II helixtrans-78.8152.2178.4-76.6-13.6000110.5Y169 E170 V171N167-Y169 HydrophobicContact CB-CD1 3.79Å; N167-Y169 HydrophobicContact CB-CD2 4.49Å; N167-Y169 HydrophobicContact CB-CE1 3.28Å; N167-Y169 HydrophobicContact CB-CE2 4.06Å; N167-Y169 HydrophobicContact CB-CG 4.37Å; N167-Y169 VanDerWaalsContact CB-CZ 3.43Å; N167-Y169 PolarHBondContact ND2-OH 3.14Å; N167-Y169 PolarHBondContact O-N 3.05Å; N167-E170 HydrophobicContact CB-CG 4.43Å; N167-E170 PolarHBondContact N-OE2 2.78Å; N167-E170 WeakPolarHBondContact O-CB 3.31Å; N167-E170 PolarHBondContact O-N 3.45Å; N167-V171 PolarHBondContact O-N 3.07Å
168N72.3Confident72.1Confident84 Ų8463.3 Ų63.345%0.44932%0.323SS..Hα-helixtrans-55-27.3-175.4-73.5-18.7000114.4R172N168-R172 VanDerWaalsContact O-CG 3.31Å; N168-R172 WeakPolarHBondContact O-CG 3.39Å
169Y68.8Low69.8Low107 Ų10768.7 Ų68.742%0.4236%0.356SS..Hα-helixtrans-75.2-36.1176.753.5-98000112.4N167 V171 R172 F173N167-Y169 HydrophobicContact CB-CD1 3.79Å; N167-Y169 HydrophobicContact CB-CD2 4.49Å; N167-Y169 HydrophobicContact CB-CE1 3.28Å; N167-Y169 HydrophobicContact CB-CE2 4.06Å; N167-Y169 HydrophobicContact CB-CG 4.37Å; N167-Y169 VanDerWaalsContact CB-CZ 3.43Å; N167-Y169 PolarHBondContact ND2-OH 3.14Å; N167-Y169 PolarHBondContact O-N 3.05Å; Y169-V171 VanDerWaalsContact C-N 3.26Å; Y169-V171 PolarHBondContact O-N 3.39Å; Y169-R172 PolarHBondContact O-N 3.33Å; Y169-F173 WeakPolarHBondContact O-CD2 3.32Å
170E68.8Low67.3Low37 Ų3774.2 Ų74.217%0.17339%0.392CS..Hα-helixtrans-64.5-33.5178.7-58178.8137.700111.3R164 P166 N167 L186 I221R164-E170 IonicContact CZ-OE1 2.67Å; R164-E170 IonicContact CZ-OE2 3.47Å; R164-E170 IonicContact NH1-OE1 3.4Å; R164-E170 IonicContact NH1-OE2 3.05Å; R164-E170 PolarHBondContact NH1-OE2 3.17Å; R164-E170 VanDerWaalsContact NH2-CD 3.29Å; R164-E170 IonicContact NH2-OE1 3.6Å; R164-E170 PolarHBondContact NH2-OE1 3.5Å; R164-E170 IonicContact NH2-OE2 3.03Å; R164-E170 PolarHBondContact NH2-OE2 2.97Å; P166-E170 WeakPolarHBondContact CA-OE2 3.34Å; N167-E170 HydrophobicContact CB-CG 4.43Å; N167-E170 PolarHBondContact N-OE2 2.78Å; N167-E170 WeakPolarHBondContact O-CB 3.31Å; N167-E170 PolarHBondContact O-N 3.45Å; E170-L186 WeakPolarHBondContact OE1-CD1 3.27Å; E170-I221 HydrophobicContact CB-CD1 4.35Å
171V66.8Low64.7Low71 Ų7179.4 Ų79.443%0.4342%0.423SS..Hα-helixtrans-78.2-21.5179.8-174.60000112.6P166 N167 Y169P166-V171 HydrophobicContact CB-CG2 4.08Å; P166-V171 HydrophobicContact CG-CG2 4.14Å; N167-V171 PolarHBondContact O-N 3.07Å; Y169-V171 VanDerWaalsContact C-N 3.26Å; Y169-V171 PolarHBondContact O-N 3.39Å
172R53.8Low62.3Low190 Ų19084.9 Ų84.972%0.71746%0.462SS*.Hα-helixtrans-94.9-9.6-172.6-76.9179.2-177.5-179.90.8115.1N168 Y169 D174N168-R172 VanDerWaalsContact O-CG 3.31Å; N168-R172 WeakPolarHBondContact O-CG 3.39Å; Y169-R172 PolarHBondContact O-N 3.33Å; R172-D174 PolarHBondContact O-N 3.25Å; R172-D174 VanDerWaalsContact O-N 3.08Å
173F52.4Low59.9Low91 Ų9187 Ų8740%0.39948%0.477SS..THydrogen-bonded Turntrans-72.66.3-176-90.3-72.9000115.3Y169 N175Y169-F173 WeakPolarHBondContact O-CD2 3.32Å; F173-N175 PolarHBondContact O-N 3.24Å
174D48Very low57.9Low125 Ų12588.4 Ų88.467%0.66849%0.487SS*.THydrogen-bonded Turntrans-77.49.8176-74.9-19.1000114.7R172 P176R172-D174 PolarHBondContact O-N 3.25Å; R172-D174 VanDerWaalsContact O-N 3.08Å; D174-P176 WeakPolarHBondContact O-CD 3.39Å
175N45.8Very low56.5Low108 Ų10889 Ų8958%0.57849%0.494SS*.  trans-91.3114.5174.6-150.91.8000110.5F173 N177 T178F173-N175 PolarHBondContact O-N 3.24Å; N175-N177 PolarHBondContact O-N 3.22Å; N175-T178 PolarHBondContact O-OG1 3.32Å
176P51.9Low56Low116 Ų11686.6 Ų86.675%0.75348%0.483SS*.THydrogen-bonded Turntrans-66.8-1-16723.8-34.5000116.4D174D174-P176 WeakPolarHBondContact O-CD 3.39Å
177N42.2Very low56Low150 Ų15085.7 Ų85.780%0.80248%0.476SS*.THydrogen-bonded Turntrans-10611.5-171.6-68.6-17.2000114.9N175N175-N177 PolarHBondContact O-N 3.22Å
178T44.4Very low56.4Low90 Ų9084 Ų8455%0.55247%0.468SS*.SBendtrans-114.7119.7179.11.10000110.3N175N175-T178 PolarHBondContact O-OG1 3.32Å
179T38.9Very low57.3Low120 Ų12080.2 Ų80.274%0.73645%0.448SS*.  trans-62.1133.2174.342.10000110T181T179-T181 PolarHBondContact O-N 2.59Å
180P39.2Very low58.4Low116 Ų11675.4 Ų75.475%0.75343%0.429SS*.  trans-74.898.7-17329.3-32.4000109.8S182P180-S182 VanDerWaalsContact C-N 3.33Å; P180-S182 PolarHBondContact O-N 2.97Å
181T39.8Very low59.6Low109 Ų10973.6 Ų73.667%0.66942%0.42SS*.  trans-70.194.316148.70000108T179 S183T179-T181 PolarHBondContact O-N 2.59Å; T181-S183 PolarHBondContact O-N 2.9Å
182S43.3Very low60.8Low116 Ų11670.6 Ų70.681%0.81140%0.402SS*.  trans1167.3164.566.60000117.1P180 C184P180-S182 VanDerWaalsContact C-N 3.33Å; P180-S182 PolarHBondContact O-N 2.97Å; S182-C184 PolarHBondContact O-N 2.82Å
183S45.1Very low62.5Low46 Ų4662.1 Ų62.132%0.32237%0.371SS..  trans-86.2102.616462.70000107.3T181T181-S183 PolarHBondContact O-N 2.9Å
184C50.2Low64.4Low39 Ų3958.5 Ų58.526%0.26436%0.355SS..PPolyproline II helixtrans-68.8137.3176.9149.70000109.2S182 L186 N366S182-C184 PolarHBondContact O-N 2.82Å; C184-L186 PolarHBondContact O-N 3.2Å; C184-N366 WeakPolarHBondContact CA-OD1 3.37Å; C184-N366 WeakPolarHBondContact CB-OD1 3.34Å; C184-N366 PolarHBondContact O-OD1 3Å; C184-N366 PolarHBondContact SG-OD1 3.43Å
185A62.1Low66.3Low21 Ų2152.6 Ų52.617%0.17432%0.324CS..PPolyproline II helixtrans-73.1116.8-167.500000109.4
186L77.1Confident68.4Low8 Ų852.9 Ų52.94%0.04233%0.325CS..PPolyproline II helixtrans-74.6148.6174.2-50.2-179.5000109.4E170 C184 S188 I361 S365E170-L186 WeakPolarHBondContact OE1-CD1 3.27Å; C184-L186 PolarHBondContact O-N 3.2Å; L186-S188 PolarHBondContact O-N 3.46Å; L186-I361 HydrophobicContact CD1-CG2 3.99Å; L186-I361 HydrophobicContact CD2-CG2 4.27Å; L186-S365 WeakPolarHBondContact CD2-O 3.42Å; L186-S365 WeakPolarHBondContact CD2-OG 3.47Å
187F85.4Confident70.1Confident11 Ų1150.3 Ų50.35%0.04831%0.305CS..PPolyproline II helixtrans-61.7135.7172.6-51.8-56.6000110.8R164 F190 P201 F217 V218 L277 L364R164-F187 PolarHBondContact NE-O 3.44Å; F187-F190 HydrophobicContact CB-CE1 4.28Å; F187-F190 HydrophobicContact CB-CE2 4.28Å; F187-F190 HydrophobicContact CB-CZ 3.84Å; F187-F190 HydrophobicContact CD2-CE1 4.26Å; F187-F190 HydrophobicContact CD2-CZ 4.34Å; F187-P201 HydrophobicContact CD1-CB 4.22Å; F187-P201 HydrophobicContact CD2-CB 3.85Å; F187-P201 HydrophobicContact CD2-CG 4.5Å; F187-P201 HydrophobicContact CE1-CB 4.45Å; F187-P201 HydrophobicContact CE2-CB 4.09Å; F187-P201 HydrophobicContact CE2-CG 4.3Å; F187-P201 HydrophobicContact CG-CB 3.92Å; F187-P201 HydrophobicContact CZ-CB 4.37Å; F187-F217 HydrophobicContact CD1-CB 3.73Å; F187-F217 HydrophobicContact CD1-CD1 4.24Å; F187-F217 HydrophobicContact CD1-CG 4.05Å; F187-F217 HydrophobicContact CE1-CB 3.52Å; F187-F217 AromaticContact CE1-CD1 3.72Å; F187-F217 HydrophobicContact CE1-CD1 3.72Å; F187-F217 AromaticContact CE1-CD2 3.84Å; F187-F217 HydrophobicContact CE1-CD2 3.84Å; F187-F217 HydrophobicContact CE1-CE1 4.37Å; F187-F217 HydrophobicContact CE1-CE2 4.47Å; F187-F217 AromaticContact CE1-CG 3.41Å; F187-F217 HydrophobicContact CE1-CG 3.41Å; F187-F217 VanDerWaalsContact CE1-CG 3.41Å; F187-F217 HydrophobicContact CZ-CD1 4.3Å; F187-F217 HydrophobicContact CZ-CD2 4.43Å; F187-F217 HydrophobicContact CZ-CG 4.25Å; F187-V218 WeakPolarHBondContact CA-O 3.46Å; F187-L277 HydrophobicContact CE1-CD2 3.78Å; F187-L277 HydrophobicContact CZ-CD2 4.07Å; F187-L364 HydrophobicContact CE2-CB 4.38Å; F187-L364 WeakPolarHBondContact CE2-O 3.2Å
188S87.9Confident72.1Confident9 Ų949 Ų496%0.06329%0.294CS..SBendtrans-94.2-14.3176.552.30000112.5R164 L186 V218 D220R164-S188 PolarHBondContact N-O 2.97Å; L186-S188 PolarHBondContact O-N 3.46Å; S188-V218 PolarHBondContact N-O 3.46Å; S188-V218 WeakPolarHBondContact OG-CG1 3.42Å; S188-V218 PolarHBondContact OG-O 2.89Å; S188-D220 PolarHBondContact OG-O 2.91Å
189M91.7Very high74.3Confident5 Ų545.3 Ų45.33%0.02527%0.272CS..EExtended strand (participates in β ladder)trans-139.5138.9-176.2-167.6179.1-74.300113.5L161 L162 V202 V218 V225 L471L161-M189 HydrophobicContact CD1-CG 3.85Å; L161-M189 HydrophobicContact CD1-SD 3.67Å; L161-M189 HydrophobicContact CD2-CE 4.03Å; L161-M189 HydrophobicContact CD2-CG 4.32Å; L161-M189 HydrophobicContact CD2-SD 3.57Å; L161-M189 VanDerWaalsContact CD2-SD 3.57Å; L161-M189 HydrophobicContact CG-CG 3.83Å; L161-M189 HydrophobicContact CG-SD 3.7Å; L162-M189 VanDerWaalsContact O-CA 3.31Å; L162-M189 WeakPolarHBondContact O-CA 3.18Å; M189-V202 HydrophobicContact CB-CB 4.37Å; M189-V202 HydrophobicContact CB-CG2 4.4Å; M189-V202 HydrophobicContact CG-CB 4.21Å; M189-V202 HydrophobicContact CG-CG2 3.89Å; M189-V202 PolarHBondContact O-N 2.7Å; M189-V202 HydrophobicContact SD-CB 4.28Å; M189-V202 HydrophobicContact SD-CG1 4.21Å; M189-V202 HydrophobicContact SD-CG2 4.28Å; M189-V218 HydrophobicContact CB-CB 4.02Å; M189-V218 HydrophobicContact CB-CG1 3.68Å; M189-V218 HydrophobicContact CE-CG1 4.44Å; M189-V218 HydrophobicContact SD-CG1 4.46Å; M189-V225 HydrophobicContact CE-CG2 3.26Å; M189-L471 HydrophobicContact SD-CD1 3.93Å
190F92.1Very high76.6Confident5 Ų539.6 Ų39.62%0.02224%0.237CC..EExtended strand (participates in β ladder)trans-128.1157.8177-59.8-94.4000111.2C148 L162 R164 F187 A199 A200 L364C148-F190 HydrophobicContact CB-CE2 4.5Å; L162-F190 HydrophobicContact CB-CB 4.23Å; L162-F190 HydrophobicContact CD1-CB 4.39Å; L162-F190 PolarHBondContact N-O 3.07Å; L162-F190 PolarHBondContact O-N 3.25Å; R164-F190 HydrophobicContact CB-CE2 4.39Å; F187-F190 HydrophobicContact CB-CE1 4.28Å; F187-F190 HydrophobicContact CB-CE2 4.28Å; F187-F190 HydrophobicContact CB-CZ 3.84Å; F187-F190 HydrophobicContact CD2-CE1 4.26Å; F187-F190 HydrophobicContact CD2-CZ 4.34Å; F190-A199 HydrophobicContact CB-CB 4.37Å; F190-A200 CarbonylContact C-O 3.54Å; F190-A200 VanDerWaalsContact CA-O 3.31Å; F190-A200 WeakPolarHBondContact CA-O 3.21Å; F190-L364 HydrophobicContact CE1-CD1 4.22Å
191S93.3Very high79Confident0 Ų034.3 Ų34.30%020%0.203CC..EExtended strand (participates in β ladder)trans-119.3136.7175.559.30000110.1I160 A199 A200I160-S191 WeakPolarHBondContact O-CA 3.48Å; S191-A199 WeakPolarHBondContact O-CA 3.34Å; S191-A200 PolarHBondContact N-O 2.63Å; S191-A200 PolarHBondContact O-N 2.82Å; S191-A200 PolarHBondContact OG-O 2.81Å
192L92.2Very high81.5Confident7 Ų729.1 Ų29.14%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-122.9112.7176.8-172.872.9000108.9M132 L159 I160 L162 H194 D197 A199M132-L192 HydrophobicContact CE-CD2 4.05Å; M132-L192 HydrophobicContact SD-CD2 3.21Å; M132-L192 WeakPolarHBondContact SD-CD2 3.38Å; L159-L192 WeakPolarHBondContact CA-O 3.32Å; L159-L192 WeakPolarHBondContact CB-O 3.48Å; I160-L192 HydrophobicContact CB-CB 4.46Å; I160-L192 PolarHBondContact N-O 2.75Å; I160-L192 PolarHBondContact O-N 2.68Å; L162-L192 HydrophobicContact CD1-CB 4.44Å; L192-H194 WeakPolarHBondContact CD1-O 3.26Å; L192-H194 WeakPolarHBondContact CG-O 3.23Å; L192-D197 VanDerWaalsContact CD1-O 3.28Å; L192-D197 WeakPolarHBondContact CD1-O 3.43Å; L192-A199 HydrophobicContact CD1-CB 4.34Å
193T90.2Very high83.8Confident12 Ų1223.6 Ų23.67%0.07413%0.133CC..SBendtrans-92-18.2-175.2440000113.8F97 F108 L159 D197 K468F97-T193 WeakPolarHBondContact CD1-O 3.21Å; F108-T193 HydrophobicContact CB-CG2 4.05Å; F108-T193 HydrophobicContact CD2-CG2 3.47Å; F108-T193 VanDerWaalsContact CD2-CG2 3.47Å; F108-T193 HydrophobicContact CE2-CG2 4.25Å; F108-T193 HydrophobicContact CG-CG2 3.96Å; L159-T193 HydrophobicContact CB-CG2 4.39Å; T193-D197 PolarHBondContact OG1-OD2 3.49Å; T193-K468 HydrophobicContact CG2-CD 3.97Å; T193-K468 PolarHBondContact OG1-NZ 2.86Å; T193-K468 VanDerWaalsContact OG1-NZ 3.11Å
194H90.9Very high85.9Confident15 Ų1522.6 Ų22.67%0.06912%0.123CC..SBendtrans-160.7151.1172.3-176-100.7000107.8Q121 L192 L196 D197Q121-H194 PolarHBondContact OE1-NE2 2.96Å; L192-H194 WeakPolarHBondContact CD1-O 3.26Å; L192-H194 WeakPolarHBondContact CG-O 3.23Å; H194-L196 WeakPolarHBondContact ND1-CB 3.36Å; H194-L196 PolarHBondContact ND1-N 3.05Å; H194-L196 VanDerWaalsContact ND1-N 3.12Å; H194-L196 PolarHBondContact O-N 2.7Å; H194-D197 HydrophobicContact CB-CB 4.18Å; H194-D197 WeakPolarHBondContact O-CB 3.48Å; H194-D197 PolarHBondContact O-N 3.05Å
195P89.3Confident87.8Confident1 Ų122 Ų221%0.00612%0.116CC..THydrogen-bonded Turntrans-54.2-38.8178-28.536000113.2F97 M132 F134 V144 D197F97-P195 HydrophobicContact CD2-CG 4.16Å; F97-P195 HydrophobicContact CE2-CG 3.7Å; F97-P195 HydrophobicContact CZ-CG 4.09Å; M132-P195 HydrophobicContact CE-CG 4.18Å; F134-P195 HydrophobicContact CB-CB 4.23Å; F134-P195 HydrophobicContact CB-CG 3.55Å; F134-P195 HydrophobicContact CD1-CG 3.72Å; F134-P195 HydrophobicContact CG-CG 3.75Å; V144-P195 WeakPolarHBondContact CG1-O 3.34Å; V144-P195 HydrophobicContact CG2-CB 4.46Å; V144-P195 WeakPolarHBondContact CG2-O 3.28Å; P195-D197 VanDerWaalsContact C-N 3.31Å; P195-D197 PolarHBondContact O-N 3.21Å
196L89Confident88.9Confident114 Ų11422 Ų2260%0.59711%0.114SC*.THydrogen-bonded Turntrans-79.3-7.5178.7-59177.5000114.6Y142 V144 H194Y142-L196 HydrophobicContact CD1-CD1 4.05Å; Y142-L196 HydrophobicContact CD1-CD2 3.96Å; Y142-L196 HydrophobicContact CD1-CG 3.95Å; Y142-L196 HydrophobicContact CE1-CD1 3.99Å; Y142-L196 HydrophobicContact CE1-CG 4.37Å; V144-L196 HydrophobicContact CG2-CD2 4.43Å; H194-L196 WeakPolarHBondContact ND1-CB 3.36Å; H194-L196 PolarHBondContact ND1-N 3.05Å; H194-L196 VanDerWaalsContact ND1-N 3.12Å; H194-L196 PolarHBondContact O-N 2.7Å
197D87.6Confident89.2Confident62 Ų6224.3 Ų24.333%0.33213%0.13SC..SBendtrans-83.7151.4177.8-80.92.7000111.2L192 T193 H194 P195 K468L192-D197 VanDerWaalsContact CD1-O 3.28Å; L192-D197 WeakPolarHBondContact CD1-O 3.43Å; T193-D197 PolarHBondContact OG1-OD2 3.49Å; H194-D197 HydrophobicContact CB-CB 4.18Å; H194-D197 WeakPolarHBondContact O-CB 3.48Å; H194-D197 PolarHBondContact O-N 3.05Å; P195-D197 VanDerWaalsContact C-N 3.31Å; P195-D197 PolarHBondContact O-N 3.21Å; D197-K468 VanDerWaalsContact CG-NZ 3.35Å; D197-K468 IonicContact OD2-NZ 3.07Å; D197-K468 PolarHBondContact OD2-NZ 3.41Å
198E85.1Confident88.9Confident124 Ų12426 Ų2658%0.57914%0.139SC*.  trans-68.2137.4169.9-64.3-166.1171.700111.7A200 L465E198-A200 PolarHBondContact O-N 3.33Å; E198-L465 HydrophobicContact CB-CD1 4.15Å; E198-L465 HydrophobicContact CB-CD2 4.44Å; E198-L465 WeakPolarHBondContact OE2-CD1 3.27Å
199A88.8Confident88Confident12 Ų1230 Ų3010%0.09916%0.164CC..  trans-71110.5176.200000110.6P147 L162 F190 S191 L192 L465P147-A199 HydrophobicContact CG-CB 4.04Å; L162-A199 HydrophobicContact CD1-CB 4.37Å; F190-A199 HydrophobicContact CB-CB 4.37Å; S191-A199 WeakPolarHBondContact O-CA 3.34Å; L192-A199 HydrophobicContact CD1-CB 4.34Å; A199-L465 WeakPolarHBondContact O-CD2 3.45Å
200A89.2Confident87Confident0 Ų035.9 Ų35.90%020%0.196CC..EExtended strand (participates in β ladder)trans-97.1146-173.700000112.3F190 S191 E198 L465 K468F190-A200 CarbonylContact C-O 3.54Å; F190-A200 VanDerWaalsContact CA-O 3.31Å; F190-A200 WeakPolarHBondContact CA-O 3.21Å; S191-A200 PolarHBondContact N-O 2.63Å; S191-A200 PolarHBondContact O-N 2.82Å; S191-A200 PolarHBondContact OG-O 2.81Å; E198-A200 PolarHBondContact O-N 3.33Å; A200-L465 HydrophobicContact CB-CD2 4.14Å; A200-L465 HydrophobicContact CB-CG 4.31Å; A200-K468 HydrophobicContact CB-CG 4.28Å
201P89.4Confident85.8Confident4 Ų438.3 Ų38.33%0.02622%0.223CC..EExtended strand (participates in β ladder)trans-64.1154.3177.427.9-34.6000111.8F187 F217 P467F187-P201 HydrophobicContact CD1-CB 4.22Å; F187-P201 HydrophobicContact CD2-CB 3.85Å; F187-P201 HydrophobicContact CD2-CG 4.5Å; F187-P201 HydrophobicContact CE1-CB 4.45Å; F187-P201 HydrophobicContact CE2-CB 4.09Å; F187-P201 HydrophobicContact CE2-CG 4.3Å; F187-P201 HydrophobicContact CG-CB 3.92Å; F187-P201 HydrophobicContact CZ-CB 4.37Å; P201-F217 HydrophobicContact CB-CD1 4.07Å; P201-F217 HydrophobicContact CB-CE1 4.2Å; P201-F217 HydrophobicContact CG-CD1 4.33Å; P201-F217 HydrophobicContact CG-CE1 3.94Å; P201-P467 HydrophobicContact CG-CB 4.43Å; P201-P467 WeakPolarHBondContact O-CB 3.41Å
202V91.3Very high85.1Confident1 Ų140.7 Ų40.71%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-100.5140.3-179.9-178.20000110.9L161 M189 V218 L471L161-V202 HydrophobicContact CD1-CG2 3.84Å; M189-V202 HydrophobicContact CB-CB 4.37Å; M189-V202 HydrophobicContact CB-CG2 4.4Å; M189-V202 HydrophobicContact CG-CB 4.21Å; M189-V202 HydrophobicContact CG-CG2 3.89Å; M189-V202 PolarHBondContact O-N 2.7Å; M189-V202 HydrophobicContact SD-CB 4.28Å; M189-V202 HydrophobicContact SD-CG1 4.21Å; M189-V202 HydrophobicContact SD-CG2 4.28Å; V202-V218 HydrophobicContact CB-CG2 4.06Å; V202-V218 HydrophobicContact CG1-CG2 4.01Å; V202-V218 WeakPolarHBondContact O-CG2 3.31Å; V202-V218 PolarHBondContact O-N 3.05Å; V202-L471 HydrophobicContact CG1-CD1 3.77Å; V202-L471 HydrophobicContact CG1-CG 3.75Å
203I90.9Very high84.4Confident0 Ų044.3 Ų44.30%026%0.263CS..EExtended strand (participates in β ladder)trans-100.8145.1176.6-57159.7000110.6I215 F217 A253 L261 P467 V469 C470 L471I203-I215 HydrophobicContact CG2-CG2 3.37Å; I203-F217 HydrophobicContact CG1-CD1 4.38Å; I203-F217 HydrophobicContact CG1-CE1 4.31Å; I203-A253 HydrophobicContact CD1-CB 3.97Å; I203-L261 HydrophobicContact CD1-CD1 3.47Å; I203-L261 VanDerWaalsContact CD1-CD1 3.47Å; I203-L261 HydrophobicContact CG1-CD1 3.7Å; I203-L261 HydrophobicContact CG2-CD1 4.35Å; I203-P467 HydrophobicContact CD1-CB 3.51Å; I203-P467 HydrophobicContact CD1-CG 3.17Å; I203-P467 HydrophobicContact CG1-CB 3.62Å; I203-P467 HydrophobicContact CG1-CG 3.61Å; I203-V469 PolarHBondContact N-O 3.34Å; I203-C470 CarbonylContact O-C 3.49Å; I203-C470 WeakPolarHBondContact O-CA 3.23Å; I203-L471 PolarHBondContact O-N 2.92Å
204L90.4Very high84Confident24 Ų2443.8 Ų43.813%0.12626%0.26CS..EExtended strand (participates in β ladder)trans-98.7140.6164.7-62.2179.9000110.9I215 G216 V218 L223 W248 L471L204-I215 WeakPolarHBondContact O-CA 3.46Å; L204-G216 PolarHBondContact N-O 3.49Å; L204-G216 PolarHBondContact O-N 3Å; L204-V218 HydrophobicContact CD1-CG2 4.25Å; L204-V218 HydrophobicContact CD2-CG2 3.59Å; L204-V218 HydrophobicContact CG-CG2 3.56Å; L204-L223 HydrophobicContact CD1-CD2 4.09Å; L204-W248 HydrophobicContact CB-CZ3 4.2Å; L204-W248 HydrophobicContact CD1-CH2 4.12Å; L204-W248 HydrophobicContact CD1-CZ3 4.49Å; L204-W248 HydrophobicContact CD2-CD2 4.37Å; L204-W248 HydrophobicContact CD2-CE3 3.96Å; L204-W248 HydrophobicContact CD2-CH2 3.99Å; L204-W248 HydrophobicContact CD2-CZ2 4.39Å; L204-W248 HydrophobicContact CD2-CZ3 3.75Å; L204-W248 HydrophobicContact CG-CH2 4.46Å; L204-W248 HydrophobicContact CG-CZ3 4.36Å; L204-L471 WeakPolarHBondContact CA-O 3.49Å; L204-L471 HydrophobicContact CD2-CB 3.95Å; L204-L471 HydrophobicContact CD2-CD1 4.3Å
205K89.1Confident83.7Confident28 Ų2843.6 Ų43.612%0.12226%0.259CS..EExtended strand (participates in β ladder)trans-126.6108.9175.2-173.1170.2-170.8155.20110.4F213 G214 I215 D257 C470 L471 R472 L473K205-F213 HydrophobicContact CD-CB 4.23Å; K205-F213 HydrophobicContact CD-CD1 4.2Å; K205-F213 HydrophobicContact CD-CD2 4.31Å; K205-F213 HydrophobicContact CD-CG 4Å; K205-F213 HydrophobicContact CG-CB 3.53Å; K205-F213 HydrophobicContact CG-CD1 3.51Å; K205-F213 HydrophobicContact CG-CD2 4.33Å; K205-F213 HydrophobicContact CG-CE1 4.27Å; K205-F213 HydrophobicContact CG-CG 3.53Å; K205-G214 CarbonylContact C-O 3.58Å; K205-G214 WeakPolarHBondContact CA-O 3.31Å; K205-I215 HydrophobicContact CG-CG1 4.44Å; K205-D257 IonicContact NZ-OD1 3.63Å; K205-D257 PolarHBondContact NZ-OD1 2.65Å; K205-D257 IonicContact NZ-OD2 3.85Å; K205-C470 WeakPolarHBondContact CB-SG 3.16Å; K205-L471 PolarHBondContact N-O 2.94Å; K205-R472 HydrophobicContact CB-CB 4.27Å; K205-R472 HydrophobicContact CB-CG 4.4Å; K205-R472 HydrophobicContact CG-CG 4.36Å; K205-R472 CarbonylContact O-C 3.53Å; K205-R472 VanDerWaalsContact O-CA 3.29Å; K205-R472 WeakPolarHBondContact O-CA 3.38Å; K205-L473 PolarHBondContact O-N 3.25Å
206V87Confident83.5Confident19 Ų1944.1 Ų44.112%0.11526%0.264CS..EExtended strand (participates in β ladder)trans-110.7123.2-173.5-1790000109.4L208 F213 G214 W248 L473 L526V206-L208 PolarHBondContact O-N 3.07Å; V206-F213 CarbonylContact O-C 3.46Å; V206-F213 WeakPolarHBondContact O-CA 3.49Å; V206-G214 PolarHBondContact N-O 3.22Å; V206-G214 PolarHBondContact O-N 2.72Å; V206-W248 HydrophobicContact CG2-CH2 4.17Å; V206-W248 HydrophobicContact CG2-CZ3 4.02Å; V206-L473 HydrophobicContact CG1-CD2 4.01Å; V206-L526 HydrophobicContact CG2-CD1 4.4Å
207P82.5Confident83.4Confident58 Ų5839 Ų3938%0.37724%0.237SC..EExtended strand (participates in β ladder)trans-65.8133.7178.226.3-31.4000110.8F213P207-F213 HydrophobicContact CB-CD1 4.15Å; P207-F213 HydrophobicContact CB-CE1 4Å
208L78.7Confident83.4Confident45 Ų4536.1 Ų36.124%0.23622%0.222CC..  trans-96.2151.2-179.1-77.4154.5000111.5V206 N210 G211 G212 V281V206-L208 PolarHBondContact O-N 3.07Å; L208-N210 PolarHBondContact O-N 3.26Å; L208-G211 PolarHBondContact O-N 3.33Å; L208-G212 PolarHBondContact N-O 2.73Å; L208-V281 HydrophobicContact CD1-CG1 4.02Å; L208-V281 HydrophobicContact CD2-CG1 3.84Å; L208-V281 HydrophobicContact CG-CG1 4.25Å
209P70.1Confident83.3Confident93 Ų9331.3 Ų31.360%0.60420%0.202SC*.THydrogen-bonded Turntrans-61-29.7179.1-17.628.2000113.6G211 F523P209-G211 PolarHBondContact O-N 3.19Å; P209-F523 HydrophobicContact CG-CD2 4.35Å
210N71Confident83.1Confident130 Ų13033 Ų3370%0.69521%0.21SC*.THydrogen-bonded Turntrans-87.49.3-174.8-60.9-1.6000112.8L208 Q283L208-N210 PolarHBondContact O-N 3.26Å; N210-Q283 PolarHBondContact ND2-NE2 3.04Å
211G66Low82.9Confident56 Ų5635.1 Ų35.158%0.57722%0.22SC*.SBendtrans82.3152.7-166.300000112.1L208 P209L208-G211 PolarHBondContact O-N 3.33Å; P209-G211 PolarHBondContact O-N 3.19Å
212G77.7Confident82.9Confident49 Ų4936.8 Ų36.851%0.50523%0.227SC..SBendtrans86.6-171.8-175.800000114.1L208L208-G212 PolarHBondContact N-O 2.73Å
213F79.1Confident82.8Confident84 Ų8437.2 Ų37.237%0.36823%0.23SC..EExtended strand (participates in β ladder)trans-130.8139.7-174.8-63.7-83.3000112.2K205 V206 P207 I215 R472K205-F213 HydrophobicContact CD-CB 4.23Å; K205-F213 HydrophobicContact CD-CD1 4.2Å; K205-F213 HydrophobicContact CD-CD2 4.31Å; K205-F213 HydrophobicContact CD-CG 4Å; K205-F213 HydrophobicContact CG-CB 3.53Å; K205-F213 HydrophobicContact CG-CD1 3.51Å; K205-F213 HydrophobicContact CG-CD2 4.33Å; K205-F213 HydrophobicContact CG-CE1 4.27Å; K205-F213 HydrophobicContact CG-CG 3.53Å; V206-F213 CarbonylContact O-C 3.46Å; V206-F213 WeakPolarHBondContact O-CA 3.49Å; P207-F213 HydrophobicContact CB-CD1 4.15Å; P207-F213 HydrophobicContact CB-CE1 4Å; F213-I215 HydrophobicContact CB-CG1 4.43Å; F213-R472 HydrophobicContact CE1-CG 4.05Å
214G82Confident82.8Confident1 Ų140.8 Ų40.81%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-82.2128.9162.800000111.5K205 V206K205-G214 CarbonylContact C-O 3.58Å; K205-G214 WeakPolarHBondContact CA-O 3.31Å; V206-G214 PolarHBondContact N-O 3.22Å; V206-G214 PolarHBondContact O-N 2.72Å
215I84.5Confident82.9Confident10 Ų1039.9 Ų39.95%0.05124%0.241CC..EExtended strand (participates in β ladder)trans-121.3135-174.3-57.6175.5000108.4I203 L204 K205 F213 D257 Y260 L261I203-I215 HydrophobicContact CG2-CG2 3.37Å; L204-I215 WeakPolarHBondContact O-CA 3.46Å; K205-I215 HydrophobicContact CG-CG1 4.44Å; F213-I215 HydrophobicContact CB-CG1 4.43Å; I215-D257 HydrophobicContact CD1-CB 3.93Å; I215-D257 WeakPolarHBondContact CD1-OD1 3.33Å; I215-D257 HydrophobicContact CG2-CB 4.4Å; I215-Y260 HydrophobicContact CD1-CD2 3.76Å; I215-Y260 HydrophobicContact CD1-CE2 4.25Å; I215-L261 HydrophobicContact CG2-CD1 4.23Å; I215-L261 HydrophobicContact CG2-CD2 4.03Å; I215-L261 HydrophobicContact CG2-CG 4.15Å
216G84.3Confident83Confident12 Ų1239.7 Ų39.712%0.12424%0.241CC..EExtended strand (participates in β ladder)trans-166.4158.1176.700000112.2L204L204-G216 PolarHBondContact N-O 3.49Å; L204-G216 PolarHBondContact O-N 3Å
217F85.8Confident83.2Confident7 Ų738.9 Ų38.93%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-72.5150.1178.3-70.1-75.3000112.3F187 P201 I203 S219 L261 V272 A276 L277 P467F187-F217 HydrophobicContact CD1-CB 3.73Å; F187-F217 HydrophobicContact CD1-CD1 4.24Å; F187-F217 HydrophobicContact CD1-CG 4.05Å; F187-F217 HydrophobicContact CE1-CB 3.52Å; F187-F217 AromaticContact CE1-CD1 3.72Å; F187-F217 HydrophobicContact CE1-CD1 3.72Å; F187-F217 AromaticContact CE1-CD2 3.84Å; F187-F217 HydrophobicContact CE1-CD2 3.84Å; F187-F217 HydrophobicContact CE1-CE1 4.37Å; F187-F217 HydrophobicContact CE1-CE2 4.47Å; F187-F217 AromaticContact CE1-CG 3.41Å; F187-F217 HydrophobicContact CE1-CG 3.41Å; F187-F217 VanDerWaalsContact CE1-CG 3.41Å; F187-F217 HydrophobicContact CZ-CD1 4.3Å; F187-F217 HydrophobicContact CZ-CD2 4.43Å; F187-F217 HydrophobicContact CZ-CG 4.25Å; P201-F217 HydrophobicContact CB-CD1 4.07Å; P201-F217 HydrophobicContact CB-CE1 4.2Å; P201-F217 HydrophobicContact CG-CD1 4.33Å; P201-F217 HydrophobicContact CG-CE1 3.94Å; I203-F217 HydrophobicContact CG1-CD1 4.38Å; I203-F217 HydrophobicContact CG1-CE1 4.31Å; F217-S219 PolarHBondContact O-N 3.3Å; F217-L261 HydrophobicContact CD2-CD2 4.01Å; F217-L261 HydrophobicContact CE1-CD1 4.34Å; F217-L261 HydrophobicContact CE2-CB 4.08Å; F217-L261 HydrophobicContact CE2-CD1 4.41Å; F217-L261 HydrophobicContact CE2-CD2 3.76Å; F217-L261 HydrophobicContact CE2-CG 4.3Å; F217-L261 HydrophobicContact CZ-CB 4.15Å; F217-L261 HydrophobicContact CZ-CD1 4.01Å; F217-L261 HydrophobicContact CZ-CD2 4.2Å; F217-L261 HydrophobicContact CZ-CG 4.35Å; F217-V272 HydrophobicContact CD2-CG1 4.41Å; F217-V272 HydrophobicContact CE2-CG1 3.76Å; F217-A276 HydrophobicContact CD2-CB 4.14Å; F217-A276 HydrophobicContact CE2-CB 4.16Å; F217-A276 PolarHBondContact N-O 3.04Å; F217-L277 HydrophobicContact CD2-CD2 4.22Å; F217-P467 HydrophobicContact CE1-CB 4.35Å; F217-P467 HydrophobicContact CE1-CG 4.06Å
218V87.6Confident83.6Confident2 Ų237.5 Ų37.51%0.01223%0.227CC..  trans-74.394.7171.3-174.90000109.1F187 S188 M189 V202 L204F187-V218 WeakPolarHBondContact CA-O 3.46Å; S188-V218 PolarHBondContact N-O 3.46Å; S188-V218 WeakPolarHBondContact OG-CG1 3.42Å; S188-V218 PolarHBondContact OG-O 2.89Å; M189-V218 HydrophobicContact CB-CB 4.02Å; M189-V218 HydrophobicContact CB-CG1 3.68Å; M189-V218 HydrophobicContact CE-CG1 4.44Å; M189-V218 HydrophobicContact SD-CG1 4.46Å; V202-V218 HydrophobicContact CB-CG2 4.06Å; V202-V218 HydrophobicContact CG1-CG2 4.01Å; V202-V218 WeakPolarHBondContact O-CG2 3.31Å; V202-V218 PolarHBondContact O-N 3.05Å; L204-V218 HydrophobicContact CD1-CG2 4.25Å; L204-V218 HydrophobicContact CD2-CG2 3.59Å; L204-V218 HydrophobicContact CG-CG2 3.56Å
219S84.4Confident84.2Confident22 Ų2235.7 Ų35.715%0.15422%0.217CC..  trans-119-10.8177.962.10000113.8F217 I221F217-S219 PolarHBondContact O-N 3.3Å; S219-I221 PolarHBondContact O-N 2.95Å
220D84.6Confident85Confident49 Ų4932.8 Ų32.826%0.26220%0.201SC..  trans-72.7123.9178.5-175.28.9000110.9S188 H222 L223 H239S188-D220 PolarHBondContact OG-O 2.91Å; D220-H222 VanDerWaalsContact C-N 3.33Å; D220-H222 WeakPolarHBondContact OD1-CB 3.32Å; D220-H222 IonicContact OD1-CD2 2.8Å; D220-H222 PolarHBondContact OD1-CD2 3.15Å; D220-H222 IonicContact OD1-CG 3.86Å; D220-H222 PolarHBondContact OD1-N 3.4Å; D220-L223 HydrophobicContact CB-CB 4.3Å; D220-H239 IonicContact OD2-CD2 2.62Å; D220-H239 PolarHBondContact OD2-CD2 3.46Å; D220-H239 IonicContact OD2-NE2 3.52Å; D220-H239 PolarHBondContact OD2-NE2 3.46Å
221I85.4Confident85.6Confident43 Ų4328.4 Ų28.422%0.22118%0.181CC..SBendtrans-80.5-15.6177.161.5168.4000112.6P166 E170 S219P166-I221 HydrophobicContact CB-CG2 4.24Å; E170-I221 HydrophobicContact CB-CD1 4.35Å; S219-I221 PolarHBondContact O-N 2.95Å
222H87.7Confident86.5Confident39 Ų3926.2 Ų26.218%0.18116%0.156CC..SBendtrans-84.5-19179.5-66.5-70.8000113D220 K224 H239 S240 L241D220-H222 VanDerWaalsContact C-N 3.33Å; D220-H222 WeakPolarHBondContact OD1-CB 3.32Å; D220-H222 IonicContact OD1-CD2 2.8Å; D220-H222 PolarHBondContact OD1-CD2 3.15Å; D220-H222 IonicContact OD1-CG 3.86Å; D220-H222 PolarHBondContact OD1-N 3.4Å; H222-K224 PolarHBondContact O-N 3.2Å; H222-H239 WeakPolarHBondContact O-CA 3.41Å; H222-S240 WeakPolarHBondContact CA-OG 3.43Å; H222-S240 VanDerWaalsContact CB-OG 3.29Å; H222-S240 WeakPolarHBondContact CB-OG 3.05Å; H222-S240 PolarHBondContact ND1-OG 2.96Å; H222-S240 VanDerWaalsContact ND1-OG 3.16Å; H222-S240 PolarHBondContact O-N 2.85Å; H222-S240 PolarHBondContact O-OG 3.27Å; H222-S240 VanDerWaalsContact O-OG 3.07Å; H222-L241 HydrophobicContact CB-CD1 4.29Å; H222-L241 HydrophobicContact CB-CG 4.16Å; H222-L241 VanDerWaalsContact CD2-CD1 3.47Å; H222-L241 WeakPolarHBondContact CD2-CD1 3.08Å
223L90.5Very high87Confident11 Ų1123.9 Ų23.96%0.05813%0.132CC..EExtended strand (participates in β ladder)trans-81.5104.2172.7-171.169.9000109.5L204 D220 T237 H239L204-L223 HydrophobicContact CD1-CD2 4.09Å; D220-L223 HydrophobicContact CB-CB 4.3Å; L223-T237 HydrophobicContact CD1-CG2 4.38Å; L223-T237 WeakPolarHBondContact CD1-OG1 3.35Å; L223-T237 HydrophobicContact CG-CG2 4.37Å; L223-H239 HydrophobicContact CD1-CB 4.27Å
224K91.1Very high87.7Confident74 Ų7419.9 Ų19.932%0.32211%0.114SC..EExtended strand (participates in β ladder)trans-108.3140.7-179.5-60.8-174.6-174.3-178.50110.8H222 T237 Y238H222-K224 PolarHBondContact O-N 3.2Å; K224-T237 CarbonylContact O-C 3.56Å; K224-T237 WeakPolarHBondContact O-CA 3.36Å; K224-T237 VanDerWaalsContact O-CB 3.29Å; K224-T237 WeakPolarHBondContact O-CB 3.47Å; K224-Y238 PolarHBondContact N-O 2.95Å; K224-Y238 PolarHBondContact O-N 3.37Å
225V92.7Very high88.2Confident6 Ų619.8 Ų19.84%0.03611%0.114CC..EExtended strand (participates in β ladder)trans-75.2129.8169.9-177.30000108W154 L161 E163 M189 V228 V235 T237W154-V225 HydrophobicContact CD2-CG1 3.8Å; W154-V225 VanDerWaalsContact CE2-CG1 3.48Å; W154-V225 HydrophobicContact CG-CG1 3.99Å; W154-V225 HydrophobicContact CZ2-CB 4.24Å; W154-V225 HydrophobicContact CZ2-CG1 3.96Å; L161-V225 HydrophobicContact CD2-CG2 4.16Å; E163-V225 PolarHBondContact OE2-N 2.96Å; M189-V225 HydrophobicContact CE-CG2 3.26Å; V225-V228 HydrophobicContact CG1-CG1 4.24Å; V225-V235 HydrophobicContact CG1-CG1 3.93Å; V225-V235 HydrophobicContact CG2-CG1 4.11Å; V225-T237 HydrophobicContact CG2-CG2 4.28Å
226I90Very high88.7Confident24 Ų2419.3 Ų19.312%0.12311%0.111CC..EExtended strand (participates in β ladder)trans-95.2-40.3174.9-57.2166.5000110W154 I236 Y238 H245 S586W154-I226 VanDerWaalsContact CH2-C 3.48Å; W154-I226 WeakPolarHBondContact CH2-O 3.35Å; I226-I236 HydrophobicContact CD1-CG2 4.34Å; I226-I236 PolarHBondContact N-O 2.87Å; I226-Y238 HydrophobicContact CD1-CG 4.33Å; I226-H245 WeakPolarHBondContact CD1-CD2 3.3Å; I226-S586 WeakPolarHBondContact CG2-OG 3.5Å; I226-S586 PolarHBondContact O-OG 3.36Å
227G90.4Very high89.2Confident2 Ų218.8 Ų18.82%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-169.8162.8-173.800000112I236G227-I236 PolarHBondContact N-O 3.03Å; G227-I236 PolarHBondContact O-N 2.94Å
228V92.3Very high89.5Confident28 Ų2820.1 Ų20.117%0.1711%0.11CC..EExtended strand (participates in β ladder)trans-128.6146.9177.9-62.20000110.4W154 A155 L156 V225 L234 V235W154-V228 HydrophobicContact CB-CG1 3.73Å; W154-V228 HydrophobicContact CB-CG2 4.18Å; W154-V228 HydrophobicContact CD2-CG1 4.24Å; W154-V228 HydrophobicContact CE3-CG1 4.19Å; W154-V228 HydrophobicContact CE3-CG2 4.05Å; W154-V228 HydrophobicContact CG-CG1 4.08Å; A155-V228 WeakPolarHBondContact O-CG2 3.4Å; L156-V228 HydrophobicContact CD2-CB 4.16Å; L156-V228 HydrophobicContact CD2-CG1 4.5Å; V225-V228 HydrophobicContact CG1-CG1 4.24Å; V228-L234 CarbonylContact C-O 3.57Å; V228-L234 WeakPolarHBondContact CA-O 3.44Å; V228-V235 HydrophobicContact CG1-CG1 4.37Å; V228-V235 HydrophobicContact CG1-CG2 4.22Å
229I90.9Very high89.6Confident7 Ų720.9 Ų20.94%0.03611%0.114CC..EExtended strand (participates in β ladder)trans-113.190.9171.2-57.6178.6000106.9S231 L232 N233 L234 I236 L589 V599I229-S231 VanDerWaalsContact C-N 3.32Å; I229-S231 PolarHBondContact O-N 3.11Å; I229-L232 HydrophobicContact CG2-CB 4.17Å; I229-L232 HydrophobicContact CG2-CD1 4.23Å; I229-L232 HydrophobicContact CG2-CG 4.2Å; I229-L232 PolarHBondContact O-N 2.97Å; I229-N233 PolarHBondContact O-N 3.39Å; I229-L234 HydrophobicContact CB-CB 4.23Å; I229-L234 PolarHBondContact N-O 3.44Å; I229-L234 PolarHBondContact O-N 3Å; I229-L234 VanDerWaalsContact O-N 3.12Å; I229-I236 HydrophobicContact CD1-CD1 4.31Å; I229-L589 HydrophobicContact CG2-CB 3.9Å; I229-L589 HydrophobicContact CG2-CD2 4.35Å; I229-V599 HydrophobicContact CD1-CB 4.04Å; I229-V599 HydrophobicContact CD1-CG1 3.61Å; I229-V599 HydrophobicContact CD1-CG2 3.58Å
230A87.3Confident89.7Confident33 Ų3321 Ų2127%0.27312%0.115SC..G310 helixtrans-56.1-44-17400000112.3N157 L232 N233N157-A230 PolarHBondContact ND2-O 3.26Å; N157-A230 WeakPolarHBondContact OD1-CB 3.31Å; N157-A230 PolarHBondContact OD1-O 3.44Å; A230-L232 PolarHBondContact O-N 3.27Å; A230-N233 PolarHBondContact O-N 3.42Å; A230-N233 PolarHBondContact O-OD1 3.46Å
231S84Confident89.7Confident37 Ų3723.8 Ų23.826%0.25913%0.129SC..G310 helixtrans-57.7-25.7-178.956.40000115I229 L589I229-S231 VanDerWaalsContact C-N 3.32Å; I229-S231 PolarHBondContact O-N 3.11Å; S231-L589 WeakPolarHBondContact OG-CD2 3.23Å
232L84.3Confident89.7Confident10 Ų1024.3 Ų24.35%0.05213%0.134CC..G310 helixtrans-115.13.9179.6-59.6177.5000112.6Y111 I229 A230 L234 L249 L589 I620Y111-L232 PolarHBondContact OH-O 3.18Å; I229-L232 HydrophobicContact CG2-CB 4.17Å; I229-L232 HydrophobicContact CG2-CD1 4.23Å; I229-L232 HydrophobicContact CG2-CG 4.2Å; I229-L232 PolarHBondContact O-N 2.97Å; A230-L232 PolarHBondContact O-N 3.27Å; L232-L234 HydrophobicContact CB-CD1 3.92Å; L232-L234 HydrophobicContact CB-CG 3.88Å; L232-L234 HydrophobicContact CD1-CD1 4Å; L232-L234 PolarHBondContact O-N 3.37Å; L232-L249 WeakPolarHBondContact O-CD1 3.36Å; L232-L589 HydrophobicContact CD1-CD1 4.08Å; L232-L589 HydrophobicContact CD1-CD2 4.35Å; L232-I620 HydrophobicContact CD1-CD1 3.46Å; L232-I620 VanDerWaalsContact CD1-CD1 3.46Å
233N88.9Confident89.6Confident0 Ų026.9 Ų26.90%014%0.142CC..THydrogen-bonded Turntrans45.541.7-170.5-60-50.5000114P110 Y111 I229 A230 L250P110-N233 PolarHBondContact O-ND2 3.32Å; Y111-N233 WeakPolarHBondContact CE1-ND2 3.35Å; I229-N233 PolarHBondContact O-N 3.39Å; A230-N233 PolarHBondContact O-N 3.42Å; A230-N233 PolarHBondContact O-OD1 3.46Å; N233-L250 HydrophobicContact CB-CB 3.72Å; N233-L250 HydrophobicContact CB-CD2 3.99Å; N233-L250 VanDerWaalsContact O-CB 3.22Å; N233-L250 WeakPolarHBondContact O-CB 3.37Å; N233-L250 PolarHBondContact O-N 3.48Å
234L91.9Very high89.5Confident0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-94.6140.6176.3-62.5170.3000110.6V228 I229 L232 V247 W248 L249 V599 F637V228-L234 CarbonylContact C-O 3.57Å; V228-L234 WeakPolarHBondContact CA-O 3.44Å; I229-L234 HydrophobicContact CB-CB 4.23Å; I229-L234 PolarHBondContact N-O 3.44Å; I229-L234 PolarHBondContact O-N 3Å; I229-L234 VanDerWaalsContact O-N 3.12Å; L232-L234 HydrophobicContact CB-CD1 3.92Å; L232-L234 HydrophobicContact CB-CG 3.88Å; L232-L234 HydrophobicContact CD1-CD1 4Å; L232-L234 PolarHBondContact O-N 3.37Å; L234-V247 HydrophobicContact CB-CG1 4.28Å; L234-V247 HydrophobicContact CD1-CG1 4.38Å; L234-V247 HydrophobicContact CD2-CG1 4.05Å; L234-V247 HydrophobicContact CG-CG1 4.48Å; L234-W248 CarbonylContact C-O 3.58Å; L234-W248 VanDerWaalsContact CA-O 3.31Å; L234-W248 WeakPolarHBondContact CA-O 3.45Å; L234-L249 HydrophobicContact CD2-CB 4.04Å; L234-L249 HydrophobicContact CD2-CD1 3.73Å; L234-L249 HydrophobicContact CD2-CG 4.45Å; L234-V599 HydrophobicContact CD1-CG2 4.16Å; L234-F637 HydrophobicContact CD1-CE1 4.22Å; L234-F637 HydrophobicContact CD1-CZ 3.85Å; L234-F637 HydrophobicContact CD2-CZ 4.33Å
235V94.3Very high89.5Confident0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-117.8125.1175.2-1780000108.4L156 L161 V225 V228 T237 W248 L471L156-V235 HydrophobicContact CD1-CG2 4.34Å; L161-V235 HydrophobicContact CD2-CG1 4.23Å; L161-V235 HydrophobicContact CD2-CG2 4.45Å; V225-V235 HydrophobicContact CG1-CG1 3.93Å; V225-V235 HydrophobicContact CG2-CG1 4.11Å; V228-V235 HydrophobicContact CG1-CG1 4.37Å; V228-V235 HydrophobicContact CG1-CG2 4.22Å; V235-T237 HydrophobicContact CG1-CG2 4.19Å; V235-W248 HydrophobicContact CB-CB 4.41Å; V235-W248 PolarHBondContact N-O 3.09Å; V235-W248 PolarHBondContact O-N 2.91Å; V235-L471 HydrophobicContact CB-CD2 4.19Å; V235-L471 HydrophobicContact CG2-CD2 3.76Å
236I94.5Very high89.5Confident0 Ų024.9 Ų24.90%014%0.136CC..EExtended strand (participates in β ladder)trans-104.6124.9180-56.5171.4000107.7I226 G227 I229 S246 V247 A587 V599 F601I226-I236 HydrophobicContact CD1-CG2 4.34Å; I226-I236 PolarHBondContact N-O 2.87Å; G227-I236 PolarHBondContact N-O 3.03Å; G227-I236 PolarHBondContact O-N 2.94Å; I229-I236 HydrophobicContact CD1-CD1 4.31Å; I236-S246 WeakPolarHBondContact CA-O 3.46Å; I236-V247 HydrophobicContact CG1-CG2 4.27Å; I236-A587 HydrophobicContact CD1-CB 3.55Å; I236-V599 HydrophobicContact CD1-CG1 3.93Å; I236-F601 HydrophobicContact CD1-CB 4.41Å; I236-F601 HydrophobicContact CD1-CD1 4.33Å; I236-F601 HydrophobicContact CG2-CG 4.41Å
237T94.2Very high89.7Confident1 Ų123.8 Ų23.81%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-121.5155179.765.90000111.8L223 K224 V225 V235 H245 S246 W248L223-T237 HydrophobicContact CD1-CG2 4.38Å; L223-T237 WeakPolarHBondContact CD1-OG1 3.35Å; L223-T237 HydrophobicContact CG-CG2 4.37Å; K224-T237 CarbonylContact O-C 3.56Å; K224-T237 WeakPolarHBondContact O-CA 3.36Å; K224-T237 VanDerWaalsContact O-CB 3.29Å; K224-T237 WeakPolarHBondContact O-CB 3.47Å; V225-T237 HydrophobicContact CG2-CG2 4.28Å; V235-T237 HydrophobicContact CG1-CG2 4.19Å; T237-H245 WeakPolarHBondContact O-CA 3.43Å; T237-S246 PolarHBondContact N-O 2.87Å; T237-S246 PolarHBondContact O-N 3.24Å; T237-S246 PolarHBondContact OG1-OG 2.87Å; T237-W248 PolarHBondContact OG1-NE1 3.38Å
238Y91.7Very high89.8Confident34 Ų3423.9 Ų23.913%0.13313%0.13CC..EExtended strand (participates in β ladder)trans-123.5129.1169.5170.9-100.3000110.3K224 I226 R243 H245 D609K224-Y238 PolarHBondContact N-O 2.95Å; K224-Y238 PolarHBondContact O-N 3.37Å; I226-Y238 HydrophobicContact CD1-CG 4.33Å; Y238-R243 HydrophobicContact CE2-CB 4.45Å; Y238-R243 WeakPolarHBondContact OH-CD 3.38Å; Y238-R243 PolarHBondContact OH-NH1 3.24Å; Y238-R243 VanDerWaalsContact OH-NH1 3.13Å; Y238-H245 AromaticContact CD2-CD2 3.98Å; Y238-H245 AromaticContact CD2-CE1 3.64Å; Y238-H245 AromaticContact CD2-NE2 3.61Å; Y238-H245 AromaticContact CE2-CE1 3.9Å; Y238-D609 PolarHBondContact OH-OD2 2.9Å; Y238-D609 VanDerWaalsContact OH-OD2 3.04Å
239H90.3Very high89.7Confident19 Ų1922.5 Ų22.59%0.08812%0.122CC..EExtended strand (participates in β ladder)trans-94.6110177.3-175.7-92.9000109.7D220 H222 L223 L241 T242 R243 L244D220-H239 IonicContact OD2-CD2 2.62Å; D220-H239 PolarHBondContact OD2-CD2 3.46Å; D220-H239 IonicContact OD2-NE2 3.52Å; D220-H239 PolarHBondContact OD2-NE2 3.46Å; H222-H239 WeakPolarHBondContact O-CA 3.41Å; L223-H239 HydrophobicContact CD1-CB 4.27Å; H239-L241 VanDerWaalsContact C-N 3.31Å; H239-L241 PolarHBondContact O-N 3.33Å; H239-T242 WeakPolarHBondContact CB-OG1 3.42Å; H239-T242 WeakPolarHBondContact ND1-CG2 3.48Å; H239-T242 PolarHBondContact ND1-N 3.37Å; H239-T242 VanDerWaalsContact ND1-N 3.19Å; H239-T242 PolarHBondContact ND1-OG1 2.95Å; H239-T242 PolarHBondContact O-N 3.17Å; H239-R243 WeakPolarHBondContact O-CA 3.49Å; H239-R243 PolarHBondContact O-N 3.25Å; H239-L244 PolarHBondContact N-O 3.41Å
240S86Confident89.8Confident24 Ų2422.2 Ų22.217%0.16812%0.12CC..THydrogen-bonded Turntrans-64.9-25.9-168.155.40000115.3H222 R243H222-S240 WeakPolarHBondContact CA-OG 3.43Å; H222-S240 VanDerWaalsContact CB-OG 3.29Å; H222-S240 WeakPolarHBondContact CB-OG 3.05Å; H222-S240 PolarHBondContact ND1-OG 2.96Å; H222-S240 VanDerWaalsContact ND1-OG 3.16Å; H222-S240 PolarHBondContact O-N 2.85Å; H222-S240 PolarHBondContact O-OG 3.27Å; H222-S240 VanDerWaalsContact O-OG 3.07Å; S240-R243 WeakPolarHBondContact O-CD 3.27Å; S240-R243 PolarHBondContact O-NE 2.95Å; S240-R243 VanDerWaalsContact O-NE 3.09Å
241L85.1Confident89.8Confident108 Ų10821.9 Ų21.957%0.56511%0.113SC*.THydrogen-bonded Turntrans-82-43177.2-63.8173.4000112.6H222 H239H222-L241 HydrophobicContact CB-CD1 4.29Å; H222-L241 HydrophobicContact CB-CG 4.16Å; H222-L241 VanDerWaalsContact CD2-CD1 3.47Å; H222-L241 WeakPolarHBondContact CD2-CD1 3.08Å; H239-L241 VanDerWaalsContact C-N 3.31Å; H239-L241 PolarHBondContact O-N 3.33Å
242T85.6Confident90Very high53 Ų5323.7 Ų23.733%0.32512%0.116SC..THydrogen-bonded Turntrans-83.3-17.8-179.157.10000112.3H239 L244H239-T242 WeakPolarHBondContact CB-OG1 3.42Å; H239-T242 WeakPolarHBondContact ND1-CG2 3.48Å; H239-T242 PolarHBondContact ND1-N 3.37Å; H239-T242 VanDerWaalsContact ND1-N 3.19Å; H239-T242 PolarHBondContact ND1-OG1 2.95Å; H239-T242 PolarHBondContact O-N 3.17Å; T242-L244 VanDerWaalsContact C-N 3.25Å; T242-L244 PolarHBondContact O-N 3.12Å
243R85.5Confident90.1Very high94 Ų9423.3 Ų23.336%0.35511%0.114SC..THydrogen-bonded Turntrans60.635.8-177.8-51.9-70.2-178164.1-5.9112.3Y238 H239 S240 D609 R611Y238-R243 HydrophobicContact CE2-CB 4.45Å; Y238-R243 WeakPolarHBondContact OH-CD 3.38Å; Y238-R243 PolarHBondContact OH-NH1 3.24Å; Y238-R243 VanDerWaalsContact OH-NH1 3.13Å; H239-R243 WeakPolarHBondContact O-CA 3.49Å; H239-R243 PolarHBondContact O-N 3.25Å; S240-R243 WeakPolarHBondContact O-CD 3.27Å; S240-R243 PolarHBondContact O-NE 2.95Å; S240-R243 VanDerWaalsContact O-NE 3.09Å; R243-D609 IonicContact CZ-OD2 3.61Å; R243-D609 IonicContact NE-OD2 3.67Å; R243-D609 IonicContact NH1-OD2 2.79Å; R243-D609 PolarHBondContact NH1-OD2 3.22Å; R243-R611 PolarHBondContact O-NH1 3.22Å; R243-R611 PolarHBondContact O-NH2 3.12Å
244L87.9Confident89.8Confident30 Ų3025.2 Ų25.216%0.15713%0.128CC..EExtended strand (participates in β ladder)trans-117.4145.5-179.3-62.1174.6000110.8H239 T242 E477 S479H239-L244 PolarHBondContact N-O 3.41Å; T242-L244 VanDerWaalsContact C-N 3.25Å; T242-L244 PolarHBondContact O-N 3.12Å; L244-E477 HydrophobicContact CB-CB 4.45Å; L244-E477 HydrophobicContact CD2-CB 4.2Å; L244-E477 HydrophobicContact CD2-CG 4.26Å; L244-S479 WeakPolarHBondContact CD1-OG 3.47Å
245H91.6Very high89.2Confident5 Ų529 Ų292%0.02315%0.154CC..EExtended strand (participates in β ladder)trans-93.4148.8171.4-58.378000111I226 T237 Y238 W475 E477 F601I226-H245 WeakPolarHBondContact CD1-CD2 3.3Å; T237-H245 WeakPolarHBondContact O-CA 3.43Å; Y238-H245 AromaticContact CD2-CD2 3.98Å; Y238-H245 AromaticContact CD2-CE1 3.64Å; Y238-H245 AromaticContact CD2-NE2 3.61Å; Y238-H245 AromaticContact CE2-CE1 3.9Å; H245-W475 HydrophobicContact CB-CZ3 4.18Å; H245-E477 IonicContact CE1-OE2 2.8Å; H245-E477 IonicContact CG-OE2 3.21Å; H245-E477 PolarHBondContact N-OE2 3.39Å; H245-E477 VanDerWaalsContact N-OE2 3.07Å; H245-E477 IonicContact ND1-OE2 3.18Å; H245-E477 PolarHBondContact ND1-OE2 2.77Å; H245-E477 WeakPolarHBondContact O-CB 3.27Å; H245-E477 PolarHBondContact O-N 2.95Å; H245-F601 HydrophobicContact CB-CE2 3.69Å; H245-F601 HydrophobicContact CB-CZ 4.08Å; H245-F601 AromaticContact CD2-CD2 3.77Å; H245-F601 AromaticContact CD2-CE2 3.6Å; H245-F601 AromaticContact CG-CE2 3.54Å
246S92.7Very high88.6Confident14 Ų1435.2 Ų35.210%0.09818%0.183CC..EExtended strand (participates in β ladder)trans-141.6150.3171.249.40000111.2I236 T237 W248 W475I236-S246 WeakPolarHBondContact CA-O 3.46Å; T237-S246 PolarHBondContact N-O 2.87Å; T237-S246 PolarHBondContact O-N 3.24Å; T237-S246 PolarHBondContact OG1-OG 2.87Å; S246-W248 PolarHBondContact OG-NE1 3.34Å; S246-W248 VanDerWaalsContact OG-NE1 3.11Å; S246-W475 CarbonylContact C-O 3.13Å; S246-W475 WeakPolarHBondContact CA-O 3.47Å; S246-W475 WeakPolarHBondContact CB-O 3.34Å
247V93.4Very high87.9Confident0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-115125.1177.9-177.90000108L234 I236 V474 W475 L618 F637L234-V247 HydrophobicContact CB-CG1 4.28Å; L234-V247 HydrophobicContact CD1-CG1 4.38Å; L234-V247 HydrophobicContact CD2-CG1 4.05Å; L234-V247 HydrophobicContact CG-CG1 4.48Å; I236-V247 HydrophobicContact CG1-CG2 4.27Å; V247-V474 PolarHBondContact O-N 3.27Å; V247-W475 HydrophobicContact CB-CB 4.21Å; V247-W475 HydrophobicContact CB-CE3 4.29Å; V247-W475 HydrophobicContact CG2-CD2 4.42Å; V247-W475 HydrophobicContact CG2-CE3 3.64Å; V247-W475 HydrophobicContact CG2-CZ3 4.24Å; V247-W475 PolarHBondContact N-O 3.35Å; V247-W475 PolarHBondContact O-N 2.88Å; V247-W475 VanDerWaalsContact O-N 3.17Å; V247-L618 HydrophobicContact CG2-CD1 4.2Å; V247-F637 HydrophobicContact CB-CE2 4.33Å; V247-F637 HydrophobicContact CG1-CE2 3.96Å; V247-F637 HydrophobicContact CG1-CZ 3.78Å
248W92.9Very high87.3Confident4 Ų438 Ų382%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-114.3149.9179.8-49.182.2000109.7L204 V206 L234 V235 T237 S246 L471 R472 L473 L526L204-W248 HydrophobicContact CB-CZ3 4.2Å; L204-W248 HydrophobicContact CD1-CH2 4.12Å; L204-W248 HydrophobicContact CD1-CZ3 4.49Å; L204-W248 HydrophobicContact CD2-CD2 4.37Å; L204-W248 HydrophobicContact CD2-CE3 3.96Å; L204-W248 HydrophobicContact CD2-CH2 3.99Å; L204-W248 HydrophobicContact CD2-CZ2 4.39Å; L204-W248 HydrophobicContact CD2-CZ3 3.75Å; L204-W248 HydrophobicContact CG-CH2 4.46Å; L204-W248 HydrophobicContact CG-CZ3 4.36Å; V206-W248 HydrophobicContact CG2-CH2 4.17Å; V206-W248 HydrophobicContact CG2-CZ3 4.02Å; L234-W248 CarbonylContact C-O 3.58Å; L234-W248 VanDerWaalsContact CA-O 3.31Å; L234-W248 WeakPolarHBondContact CA-O 3.45Å; V235-W248 HydrophobicContact CB-CB 4.41Å; V235-W248 PolarHBondContact N-O 3.09Å; V235-W248 PolarHBondContact O-N 2.91Å; T237-W248 PolarHBondContact OG1-NE1 3.38Å; S246-W248 PolarHBondContact OG-NE1 3.34Å; S246-W248 VanDerWaalsContact OG-NE1 3.11Å; W248-L471 HydrophobicContact CB-CB 4.04Å; W248-L471 HydrophobicContact CB-CD2 4.39Å; W248-L471 HydrophobicContact CE3-CB 4.29Å; W248-L471 HydrophobicContact CG-CB 4.46Å; W248-R472 CarbonylContact C-O 3.58Å; W248-R472 VanDerWaalsContact CA-O 3.25Å; W248-R472 WeakPolarHBondContact CA-O 3.4Å; W248-L473 HydrophobicContact CD2-CD1 4.01Å; W248-L473 HydrophobicContact CE3-CB 3.73Å; W248-L473 HydrophobicContact CE3-CD1 4.03Å; W248-L473 HydrophobicContact CH2-CB 4.23Å; W248-L473 HydrophobicContact CH2-CD1 3.99Å; W248-L473 HydrophobicContact CZ2-CD1 3.96Å; W248-L473 HydrophobicContact CZ3-CB 3.57Å; W248-L473 HydrophobicContact CZ3-CD1 4.03Å; W248-L473 HydrophobicContact CZ3-CG 4.31Å; W248-L526 HydrophobicContact CH2-CD1 4.45Å
249L91.6Very high86.6Confident0 Ų042.1 Ų42.10%022%0.217CC..EExtended strand (participates in β ladder)trans-111.5132.3174.9177.862.6000110.3L232 L234 E251 L471 R472 V474 Y624 F630L232-L249 WeakPolarHBondContact O-CD1 3.36Å; L234-L249 HydrophobicContact CD2-CB 4.04Å; L234-L249 HydrophobicContact CD2-CD1 3.73Å; L234-L249 HydrophobicContact CD2-CG 4.45Å; L249-E251 HydrophobicContact CG-CG 4.46Å; L249-L471 WeakPolarHBondContact O-CA 3.37Å; L249-R472 PolarHBondContact N-O 2.88Å; L249-R472 PolarHBondContact O-N 3.41Å; L249-V474 HydrophobicContact CB-CG2 3.46Å; L249-V474 VanDerWaalsContact CB-CG2 3.46Å; L249-V474 HydrophobicContact CD2-CG2 4.23Å; L249-Y624 WeakPolarHBondContact CD1-OH 3.47Å; L249-Y624 VanDerWaalsContact CD2-OH 3.28Å; L249-Y624 WeakPolarHBondContact CD2-OH 3.23Å; L249-F630 HydrophobicContact CD1-CZ 4.36Å; L249-F630 HydrophobicContact CD2-CD1 4.06Å; L249-F630 HydrophobicContact CD2-CE1 3Å; L249-F630 HydrophobicContact CD2-CZ 3.33Å; L249-F630 HydrophobicContact CG-CE1 4.15Å; L249-F630 HydrophobicContact CG-CZ 4.06Å
250L91.2Very high85.8Confident0 Ų045.1 Ų45.10%023%0.228CC..EExtended strand (participates in β ladder)trans-75.4123.5177.2-162.279.3000110.6F108 L156 L159 N233 V469 L471F108-L250 HydrophobicContact CE1-CD2 4.3Å; F108-L250 HydrophobicContact CZ-CD2 3.99Å; L156-L250 HydrophobicContact CD1-CD1 4.09Å; L156-L250 HydrophobicContact CD1-CD2 3.97Å; L159-L250 HydrophobicContact CD2-CD1 4.26Å; L159-L250 HydrophobicContact CD2-CD2 3.89Å; L159-L250 HydrophobicContact CD2-CG 4.46Å; L159-L250 HydrophobicContact CG-CD2 4.15Å; N233-L250 HydrophobicContact CB-CB 3.72Å; N233-L250 HydrophobicContact CB-CD2 3.99Å; N233-L250 VanDerWaalsContact O-CB 3.22Å; N233-L250 WeakPolarHBondContact O-CB 3.37Å; N233-L250 PolarHBondContact O-N 3.48Å; L250-V469 HydrophobicContact CD1-CG1 3.28Å; L250-V469 HydrophobicContact CG-CG1 3.93Å; L250-L471 HydrophobicContact CD1-CD2 3.65Å
251E88.1Confident85.3Confident26 Ų2644 Ų4412%0.12122%0.22CC..EExtended strand (participates in β ladder)trans-130.4160.7176-69.2177.8175.300109.8L249 C470 R472 F630L249-E251 HydrophobicContact CG-CG 4.46Å; E251-C470 PolarHBondContact N-O 2.9Å; E251-C470 PolarHBondContact O-N 3.09Å; E251-R472 IonicContact OE1-CZ 2.9Å; E251-R472 VanDerWaalsContact OE1-CZ 3.31Å; E251-R472 IonicContact OE1-NE 3.59Å; E251-R472 PolarHBondContact OE1-NE 3.37Å; E251-R472 IonicContact OE1-NH2 3.11Å; E251-R472 PolarHBondContact OE1-NH2 2.85Å; E251-R472 IonicContact OE2-NE 3.28Å; E251-R472 PolarHBondContact OE2-NE 2.9Å; E251-F630 HydrophobicContact CG-CE2 4.35Å; E251-F630 HydrophobicContact CG-CZ 4.41Å; E251-F630 VanDerWaalsContact OE1-CD1 3.25Å; E251-F630 WeakPolarHBondContact OE1-CD1 3.33Å; E251-F630 WeakPolarHBondContact OE1-CE1 3.45Å
252K87.7Confident85Confident75 Ų7540.2 Ų40.233%0.32620%0.199SC..EExtended strand (participates in β ladder)trans-69.5135.8168.4-177-176.7-177.61600109G107 F108 S254G107-K252 WeakPolarHBondContact O-CE 3.4Å; G107-K252 PolarHBondContact O-NZ 2.84Å; F108-K252 WeakPolarHBondContact O-CD 3.48Å; F108-K252 VanDerWaalsContact O-CG 3.23Å; F108-K252 WeakPolarHBondContact O-CG 3.22Å; K252-S254 PolarHBondContact O-N 2.71Å
253A86.3Confident84.6Confident2 Ų243 Ų432%0.01721%0.208CC..PPolyproline II helixtrans-65.1126.3169.500000109.9I203 Y258 P467 K468I203-A253 HydrophobicContact CD1-CB 3.97Å; A253-Y258 HydrophobicContact CB-CE1 3.88Å; A253-P467 WeakPolarHBondContact CB-O 3.34Å; A253-K468 PolarHBondContact N-O 3.27Å
254S83.6Confident84Confident40 Ų4044.4 Ų44.428%0.2822%0.22SC..PPolyproline II helixtrans-89.6155.4179.973.90000110.9K252 H256 D257K252-S254 PolarHBondContact O-N 2.71Å; S254-H256 PolarHBondContact O-N 2.92Å; S254-H256 VanDerWaalsContact O-N 3.15Å; S254-D257 WeakPolarHBondContact CA-OD2 3.41Å; S254-D257 WeakPolarHBondContact CB-OD2 3.32Å; S254-D257 PolarHBondContact N-OD2 3.3Å; S254-D257 WeakPolarHBondContact O-CB 3.35Å; S254-D257 PolarHBondContact O-N 3.39Å; S254-D257 PolarHBondContact OG-N 2.66Å; S254-D257 PolarHBondContact OG-OD1 2.98Å; S254-D257 PolarHBondContact OG-OD2 3.37Å
255S78.9Confident83.1Confident81 Ų8144.6 Ų44.657%0.56622%0.221SC*.Hα-helixtrans-57.2-29174.450.10000113.1D257 Y258S255-D257 VanDerWaalsContact C-N 3.31Å; S255-Y258 PolarHBondContact O-N 3.41Å
256H81.4Confident82.2Confident130 Ų13049.4 Ų49.460%0.60226%0.262SS*.Hα-helixtrans-68.6-30.4175.7-63.486.4000112.4S254 Y258 I259 Y260S254-H256 PolarHBondContact O-N 2.92Å; S254-H256 VanDerWaalsContact O-N 3.15Å; H256-Y258 VanDerWaalsContact C-N 3.27Å; H256-Y258 PolarHBondContact O-N 3.43Å; H256-I259 PolarHBondContact O-N 2.92Å; H256-Y260 VanDerWaalsContact O-CD2 3.28Å; H256-Y260 WeakPolarHBondContact O-CD2 3.44Å; H256-Y260 WeakPolarHBondContact O-CE2 3.12Å
257D81.3Confident81.2Confident4 Ų453 Ų532%0.02128%0.28CS..Hα-helixtrans-69.4-30179.9-55.9-49.3000110.7K205 I215 S254 S255 I259 Y260 L261K205-D257 IonicContact NZ-OD1 3.63Å; K205-D257 PolarHBondContact NZ-OD1 2.65Å; K205-D257 IonicContact NZ-OD2 3.85Å; I215-D257 HydrophobicContact CD1-CB 3.93Å; I215-D257 WeakPolarHBondContact CD1-OD1 3.33Å; I215-D257 HydrophobicContact CG2-CB 4.4Å; S254-D257 WeakPolarHBondContact CA-OD2 3.41Å; S254-D257 WeakPolarHBondContact CB-OD2 3.32Å; S254-D257 PolarHBondContact N-OD2 3.3Å; S254-D257 WeakPolarHBondContact O-CB 3.35Å; S254-D257 PolarHBondContact O-N 3.39Å; S254-D257 PolarHBondContact OG-N 2.66Å; S254-D257 PolarHBondContact OG-OD1 2.98Å; S254-D257 PolarHBondContact OG-OD2 3.37Å; S255-D257 VanDerWaalsContact C-N 3.31Å; D257-I259 VanDerWaalsContact C-N 3.33Å; D257-I259 PolarHBondContact O-N 3.24Å; D257-Y260 PolarHBondContact O-N 3.27Å; D257-L261 WeakPolarHBondContact O-CG 3.15Å
258Y80.8Confident79.9Confident55 Ų5556 Ų5622%0.21631%0.311CS..Hα-helixtrans-67.8-29.8-179.4-53.7-29000113.7A253 S255 H256 Y260 L261 Y262 L466 P467A253-Y258 HydrophobicContact CB-CE1 3.88Å; S255-Y258 PolarHBondContact O-N 3.41Å; H256-Y258 VanDerWaalsContact C-N 3.27Å; H256-Y258 PolarHBondContact O-N 3.43Å; Y258-Y260 PolarHBondContact O-N 2.97Å; Y258-L261 PolarHBondContact O-N 3.33Å; Y258-Y262 HydrophobicContact CD1-CE2 4.44Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.22Å; Y258-Y262 PolarHBondContact O-N 3.3Å; Y258-L466 HydrophobicContact CD1-CD2 4.48Å; Y258-L466 HydrophobicContact CD2-CD2 4.27Å; Y258-L466 HydrophobicContact CE2-CD1 4.27Å; Y258-L466 HydrophobicContact CE2-CD2 4.47Å; Y258-L466 HydrophobicContact CG-CD2 4.3Å; Y258-P467 HydrophobicContact CD1-CG 4.25Å; Y258-P467 HydrophobicContact CE1-CG 3.95Å; Y258-P467 WeakPolarHBondContact CE1-O 3Å; Y258-P467 PolarHBondContact OH-O 3.4Å
259I76.8Confident78.5Confident121 Ų12159.2 Ų59.262%0.62132%0.323SS*.THydrogen-bonded Turntrans-59.4-31.3-179.2-59.3172.6000111.1H256 D257H256-I259 PolarHBondContact O-N 2.92Å; D257-I259 VanDerWaalsContact C-N 3.33Å; D257-I259 PolarHBondContact O-N 3.24Å
260Y72.8Confident77.4Confident82 Ų8260.8 Ų60.832%0.32234%0.336SS..THydrogen-bonded Turntrans-88.8-11.2179.1-54.1-74.9000113.3I215 H256 D257 Y258 H275 Y282I215-Y260 HydrophobicContact CD1-CD2 3.76Å; I215-Y260 HydrophobicContact CD1-CE2 4.25Å; H256-Y260 VanDerWaalsContact O-CD2 3.28Å; H256-Y260 WeakPolarHBondContact O-CD2 3.44Å; H256-Y260 WeakPolarHBondContact O-CE2 3.12Å; D257-Y260 PolarHBondContact O-N 3.27Å; Y258-Y260 PolarHBondContact O-N 2.97Å; Y260-H275 PolarHBondContact O-NE2 2.99Å; Y260-Y282 AromaticContact CD1-CD1 3.47Å; Y260-Y282 HydrophobicContact CD1-CD1 3.47Å; Y260-Y282 VanDerWaalsContact CD1-CD1 3.47Å; Y260-Y282 AromaticContact CD1-CE1 3.87Å; Y260-Y282 HydrophobicContact CD1-CE1 3.87Å; Y260-Y282 HydrophobicContact CD1-CG 4.29Å; Y260-Y282 AromaticContact CE1-CD1 3.87Å; Y260-Y282 HydrophobicContact CE1-CD1 3.87Å; Y260-Y282 HydrophobicContact CE1-CE1 4.01Å
261L76.6Confident76.4Confident0 Ų061.6 Ų61.60%034%0.342CS..THydrogen-bonded Turntrans-102.9-27.9-174.8-65.3174.8000112.6I203 I215 F217 D257 Y258 A273 A276 P467I203-L261 HydrophobicContact CD1-CD1 3.47Å; I203-L261 VanDerWaalsContact CD1-CD1 3.47Å; I203-L261 HydrophobicContact CG1-CD1 3.7Å; I203-L261 HydrophobicContact CG2-CD1 4.35Å; I215-L261 HydrophobicContact CG2-CD1 4.23Å; I215-L261 HydrophobicContact CG2-CD2 4.03Å; I215-L261 HydrophobicContact CG2-CG 4.15Å; F217-L261 HydrophobicContact CD2-CD2 4.01Å; F217-L261 HydrophobicContact CE1-CD1 4.34Å; F217-L261 HydrophobicContact CE2-CB 4.08Å; F217-L261 HydrophobicContact CE2-CD1 4.41Å; F217-L261 HydrophobicContact CE2-CD2 3.76Å; F217-L261 HydrophobicContact CE2-CG 4.3Å; F217-L261 HydrophobicContact CZ-CB 4.15Å; F217-L261 HydrophobicContact CZ-CD1 4.01Å; F217-L261 HydrophobicContact CZ-CD2 4.2Å; F217-L261 HydrophobicContact CZ-CG 4.35Å; D257-L261 WeakPolarHBondContact O-CG 3.15Å; Y258-L261 PolarHBondContact O-N 3.33Å; L261-A273 PolarHBondContact O-N 3.1Å; L261-A276 HydrophobicContact CD2-CB 3.73Å; L261-P467 HydrophobicContact CD1-CG 4.2Å
262Y78.8Confident75.7Confident28 Ų2862.4 Ų62.411%0.1135%0.349CS..EExtended strand (participates in β ladder)trans-121.2139.7-175.2-58.9-82.5000111.3Y258 S271 V272 P464 L465 L466 P467Y258-Y262 HydrophobicContact CD1-CE2 4.44Å; Y258-Y262 WeakPolarHBondContact O-CD2 3.22Å; Y258-Y262 PolarHBondContact O-N 3.3Å; Y262-S271 CarbonylContact C-O 3.57Å; Y262-S271 VanDerWaalsContact CA-O 3.23Å; Y262-S271 WeakPolarHBondContact CA-O 3.22Å; Y262-V272 HydrophobicContact CD1-CG2 4.02Å; Y262-V272 HydrophobicContact CE1-CG2 3.67Å; Y262-P464 HydrophobicContact CD1-CB 4.25Å; Y262-P464 HydrophobicContact CD1-CG 3.99Å; Y262-P464 HydrophobicContact CE1-CB 3.7Å; Y262-P464 HydrophobicContact CE1-CG 3.85Å; Y262-L465 PolarHBondContact OH-O 3.45Å; Y262-L465 VanDerWaalsContact OH-O 3.05Å; Y262-L466 HydrophobicContact CD2-CD2 4.33Å; Y262-L466 HydrophobicContact CE2-CD2 3.7Å; Y262-P467 WeakPolarHBondContact OH-CD 3.43Å
263Q77.1Confident74.9Confident112 Ų11259 Ų5952%0.52333%0.334SS..EExtended strand (participates in β ladder)trans-112146.3171.1-177172-2.200108.7S271 A273Q263-S271 PolarHBondContact N-O 3.01Å; Q263-S271 PolarHBondContact O-N 2.72Å; Q263-S271 PolarHBondContact O-OG 3.49Å; Q263-A273 HydrophobicContact CB-CB 4.21Å
264M72Confident74Confident123 Ų12364.1 Ų64.161%0.60637%0.365SS*.EExtended strand (participates in β ladder)trans-89.7121.9170.9-66.2-67.5157.500108.9R269 A270M264-R269 WeakPolarHBondContact CA-O 3.36Å; M264-A270 HydrophobicContact CE-CB 3.48Å; M264-A270 VanDerWaalsContact CE-CB 3.48Å; M264-A270 HydrophobicContact SD-CB 3.84Å
265D70.3Confident73.2Confident34 Ų3464.9 Ų64.918%0.18236%0.364CS..  trans-69.1162.1171.7-64.6-26.6000109.7D267 G268 R269 S271D265-D267 PolarHBondContact O-N 2.83Å; D265-G268 PolarHBondContact O-N 2.66Å; D265-R269 PolarHBondContact N-O 3.18Å; D265-S271 PolarHBondContact OD1-OG 3.49Å; D265-S271 WeakPolarHBondContact OD2-CB 3.4Å; D265-S271 PolarHBondContact OD2-OG 2.73Å
266A71.6Confident72.7Confident106 Ų10661.1 Ų61.188%0.87634%0.338SS*.THydrogen-bonded Turntrans-56.5-21.5-179.600000113.5G268A266-G268 VanDerWaalsContact C-N 3.3Å
267D72.1Confident71.8Confident91 Ų9156.5 Ų56.549%0.48732%0.317SS..THydrogen-bonded Turntrans-874.5179.2-56-23.1000113D265 R269 C314D265-D267 PolarHBondContact O-N 2.83Å; D267-R269 VanDerWaalsContact C-N 3.34Å; D267-C314 PolarHBondContact OD2-SG 2.86Å
268G66.5Low70.7Confident62 Ų6260.3 Ų60.364%0.63934%0.341SS*.SBendtrans79.310.3-179.800000115D265 A266D265-G268 PolarHBondContact O-N 2.66Å; A266-G268 VanDerWaalsContact C-N 3.3Å
269R64.2Low69.3Low71 Ų7158.9 Ų58.927%0.26834%0.343SS..  trans-89.8139.1177.4-65.2-176.4177.1-172.2-6.6111.1M264 D265 D267 L315 D462M264-R269 WeakPolarHBondContact CA-O 3.36Å; D265-R269 PolarHBondContact N-O 3.18Å; D267-R269 VanDerWaalsContact C-N 3.34Å; R269-L315 PolarHBondContact NH1-O 3.41Å; R269-D462 IonicContact CZ-OD2 3.68Å; R269-D462 IonicContact NE-OD2 3.48Å; R269-D462 IonicContact NH1-OD2 2.95Å; R269-D462 PolarHBondContact NH1-OD2 2.97Å; R269-D462 VanDerWaalsContact NH1-OD2 3.14Å; R269-D462 IonicContact NH2-OD2 2.86Å; R269-D462 PolarHBondContact NH2-OD2 3.27Å; R269-D462 VanDerWaalsContact NH2-OD2 3.16Å
270A67.2Low67.9Low33 Ų3357.8 Ų57.827%0.27334%0.338SS..EExtended strand (participates in β ladder)trans-79.7118.3174.200000110M264 P464M264-A270 HydrophobicContact CE-CB 3.48Å; M264-A270 VanDerWaalsContact CE-CB 3.48Å; M264-A270 HydrophobicContact SD-CB 3.84Å; A270-P464 HydrophobicContact CB-CG 3.86Å
271S71.2Confident67Low17 Ų1756.9 Ų56.912%0.11934%0.34CS..EExtended strand (participates in β ladder)trans-114.6152.4173.267.50000110Y262 Q263 D265 A273Y262-S271 CarbonylContact C-O 3.57Å; Y262-S271 VanDerWaalsContact CA-O 3.23Å; Y262-S271 WeakPolarHBondContact CA-O 3.22Å; Q263-S271 PolarHBondContact N-O 3.01Å; Q263-S271 PolarHBondContact O-N 2.72Å; Q263-S271 PolarHBondContact O-OG 3.49Å; D265-S271 PolarHBondContact OD1-OG 3.49Å; D265-S271 WeakPolarHBondContact OD2-CB 3.4Å; D265-S271 PolarHBondContact OD2-OG 2.73Å; S271-A273 PolarHBondContact O-N 2.99Å
272V72.6Confident65.6Low44 Ų4461.9 Ų61.927%0.26736%0.36SS..EExtended strand (participates in β ladder)trans-68.8125.1175.51790000108.7F217 Y262 T274 A276 L277F217-V272 HydrophobicContact CD2-CG1 4.41Å; F217-V272 HydrophobicContact CE2-CG1 3.76Å; Y262-V272 HydrophobicContact CD1-CG2 4.02Å; Y262-V272 HydrophobicContact CE1-CG2 3.67Å; V272-T274 PolarHBondContact O-N 3.47Å; V272-A276 HydrophobicContact CG1-CB 4.37Å; V272-L277 HydrophobicContact CG1-CD1 4.01Å; V272-L277 HydrophobicContact CG1-CD2 3.9Å; V272-L277 HydrophobicContact CG1-CG 3.73Å
273A72.1Confident64.2Low2 Ų266.1 Ų66.12%0.01738%0.381CS..  trans-63.8135.2-179.700000110.4L261 Q263 S271 H275 A276L261-A273 PolarHBondContact O-N 3.1Å; Q263-A273 HydrophobicContact CB-CB 4.21Å; S271-A273 PolarHBondContact O-N 2.99Å; A273-H275 WeakPolarHBondContact CB-CE1 3.23Å; A273-H275 PolarHBondContact O-N 2.63Å; A273-H275 VanDerWaalsContact O-N 3.16Å; A273-A276 HydrophobicContact CB-CB 4.46Å; A273-A276 VanDerWaalsContact O-CB 3.31Å; A273-A276 WeakPolarHBondContact O-CB 3.22Å; A273-A276 PolarHBondContact O-N 3.41Å
274T66.5Low62.6Low110 Ų11064.6 Ų64.668%0.67538%0.381SS*.Hα-helixtrans-59.4-32.7-175.1520000113V272 A276 L277 T278V272-T274 PolarHBondContact O-N 3.47Å; T274-A276 VanDerWaalsContact C-N 3.33Å; T274-A276 PolarHBondContact O-N 3.29Å; T274-L277 PolarHBondContact O-N 3.21Å; T274-T278 WeakPolarHBondContact O-CG2 3.23Å; T274-T278 PolarHBondContact O-N 3.35Å
275H66.4Low61.1Low57 Ų5767.4 Ų67.426%0.26439%0.392SS..Hα-helixtrans-69.4-28.1176.764.1-92.6000113.2Y260 A273 L277 T278 Y282Y260-H275 PolarHBondContact O-NE2 2.99Å; A273-H275 WeakPolarHBondContact CB-CE1 3.23Å; A273-H275 PolarHBondContact O-N 2.63Å; A273-H275 VanDerWaalsContact O-N 3.16Å; H275-L277 PolarHBondContact O-N 3.19Å; H275-T278 PolarHBondContact O-N 3.15Å; H275-T278 PolarHBondContact O-OG1 3.31Å; H275-T278 VanDerWaalsContact O-OG1 3.07Å; H275-Y282 AromaticContact CD2-CD2 3.76Å; H275-Y282 AromaticContact NE2-CD2 3.6Å
276A68.1Low59.6Low1 Ų170.5 Ų70.51%0.00842%0.417CS..Hα-helixtrans-69.7-22.7177.300000112.9F217 L261 V272 A273 T274F217-A276 HydrophobicContact CD2-CB 4.14Å; F217-A276 HydrophobicContact CE2-CB 4.16Å; F217-A276 PolarHBondContact N-O 3.04Å; L261-A276 HydrophobicContact CD2-CB 3.73Å; V272-A276 HydrophobicContact CG1-CB 4.37Å; A273-A276 HydrophobicContact CB-CB 4.46Å; A273-A276 VanDerWaalsContact O-CB 3.31Å; A273-A276 WeakPolarHBondContact O-CB 3.22Å; A273-A276 PolarHBondContact O-N 3.41Å; T274-A276 VanDerWaalsContact C-N 3.33Å; T274-A276 PolarHBondContact O-N 3.29Å
277L63.4Low57.6Low33 Ų3371.9 Ų71.917%0.17341%0.414CS..Hα-helixtrans-93.1-20.7179.4-64.7175.1000113.7F187 F217 V272 T274 H275 G279F187-L277 HydrophobicContact CE1-CD2 3.78Å; F187-L277 HydrophobicContact CZ-CD2 4.07Å; F217-L277 HydrophobicContact CD2-CD2 4.22Å; V272-L277 HydrophobicContact CG1-CD1 4.01Å; V272-L277 HydrophobicContact CG1-CD2 3.9Å; V272-L277 HydrophobicContact CG1-CG 3.73Å; T274-L277 PolarHBondContact O-N 3.21Å; H275-L277 PolarHBondContact O-N 3.19Å; L277-G279 VanDerWaalsContact C-N 3.26Å; L277-G279 PolarHBondContact O-N 3.03Å
278T56.8Low55.8Low85 Ų8576.6 Ų76.652%0.52143%0.43SS..THydrogen-bonded Turntrans-83-2.2-178.5530000113.4T274 H275 L280T274-T278 WeakPolarHBondContact O-CG2 3.23Å; T274-T278 PolarHBondContact O-N 3.35Å; H275-T278 PolarHBondContact O-N 3.15Å; H275-T278 PolarHBondContact O-OG1 3.31Å; H275-T278 VanDerWaalsContact O-OG1 3.07Å; T278-L280 PolarHBondContact O-N 3.34Å
279G52.5Low54.1Low24 Ų2481.7 Ų81.725%0.24744%0.437CS..THydrogen-bonded Turntrans72.17.4-176.500000113.6L277 V281 S527L277-G279 VanDerWaalsContact C-N 3.26Å; L277-G279 PolarHBondContact O-N 3.03Å; G279-V281 PolarHBondContact O-N 3.24Å; G279-S527 PolarHBondContact O-OG 2.79Å
280L46.8Very low52.7Low99 Ų9985 Ų8552%0.51847%0.465SS..  trans-80.7108.1175.8-70.9170.1000108.8T278 Y282T278-L280 PolarHBondContact O-N 3.34Å; L280-Y282 PolarHBondContact O-N 3.03Å; L280-Y282 VanDerWaalsContact O-N 3.12Å
281V54.1Low51.1Low62 Ų6292 Ų9238%0.37649%0.489SS..  trans-54.1113.7171.6155.70000109.7L208 G279L208-V281 HydrophobicContact CD1-CG1 4.02Å; L208-V281 HydrophobicContact CD2-CG1 3.84Å; L208-V281 HydrophobicContact CG-CG1 4.25Å; G279-V281 PolarHBondContact O-N 3.24Å
282Y48.5Very low49.2Very low106 Ų10695.5 Ų95.542%0.41651%0.514SS..  trans-66132.2176.5-175-93.1000110.7Y260 H275 L280 P284Y260-Y282 AromaticContact CD1-CD1 3.47Å; Y260-Y282 HydrophobicContact CD1-CD1 3.47Å; Y260-Y282 VanDerWaalsContact CD1-CD1 3.47Å; Y260-Y282 AromaticContact CD1-CE1 3.87Å; Y260-Y282 HydrophobicContact CD1-CE1 3.87Å; Y260-Y282 HydrophobicContact CD1-CG 4.29Å; Y260-Y282 AromaticContact CE1-CD1 3.87Å; Y260-Y282 HydrophobicContact CE1-CD1 3.87Å; Y260-Y282 HydrophobicContact CE1-CE1 4.01Å; H275-Y282 AromaticContact CD2-CD2 3.76Å; H275-Y282 AromaticContact NE2-CD2 3.6Å; L280-Y282 PolarHBondContact O-N 3.03Å; L280-Y282 VanDerWaalsContact O-N 3.12Å; Y282-P284 HydrophobicContact CE1-CB 4.47Å
283Q49.2Very low47.4Very low116 Ų116102.8 Ų102.854%0.54254%0.542SS..  trans-113.5124.1174.1-174.7178.3-4.600108.7N210 E285N210-Q283 PolarHBondContact ND2-NE2 3.04Å; Q283-E285 PolarHBondContact O-N 3.48Å
284P43.5Very low45.7Very low80 Ų80109.8 Ų109.852%0.51958%0.579SS.*PPolyproline II helixtrans-71.7120.1173.327.1-30.3000109.8Y282 S286Y282-P284 HydrophobicContact CE1-CB 4.47Å; P284-S286 PolarHBondContact O-N 3.49Å
285E39.8Very low44.3Very low183 Ų183114.4 Ų114.486%0.85559%0.59SS**PPolyproline II helixtrans-69.9124.3168.5-73.3-173.8161.600109.6Q283 V287Q283-E285 PolarHBondContact O-N 3.48Å; E285-V287 PolarHBondContact O-N 3.06Å
286S37.9Very low42.6Very low99 Ų99118.8 Ų118.869%0.69262%0.615SS**PPolyproline II helixtrans-70.1121.3176.792.20000109.7P284 K288P284-S286 PolarHBondContact O-N 3.49Å; S286-K288 PolarHBondContact O-N 3.4Å
287V30.7Very low41Very low135 Ų135126.4 Ų126.482%0.81866%0.655SS**  trans-61.9103176.1179.10000110E285E285-V287 PolarHBondContact O-N 3.06Å
288K34.1Very low39.4Very low190 Ų190129.2 Ų129.283%0.82668%0.677SS**  trans-87.4109.9162.6-76.9-173.7179.7178.30109.2S286 V290S286-K288 PolarHBondContact O-N 3.4Å; K288-V290 PolarHBondContact O-N 2.82Å
289H29.5Very low38.2Very low169 Ų169131.4 Ų131.478%0.78269%0.691SS**  trans-69.5114.1172.7-132.4-76000110.4
290V35.5Very low37Very low140 Ų140139.2 Ų139.285%0.84872%0.718SS**  trans-143.8138.8160.1-176.90000110.9K288K288-V290 PolarHBondContact O-N 2.82Å
291K34.5Very low36.1Very low180 Ų180141.9 Ų141.978%0.78373%0.733SS**  trans-84.8146.2-170.9-62.7169.2174176.20113.6
292S30.8Very low35.1Very low91 Ų91147.2 Ų147.264%0.63675%0.754SS**  trans53.5123.8141.266.90000122.5
293F35.4Very low34.1Very low197 Ų197151.8 Ų151.886%0.86478%0.778SS**  166.4148.4101.6-100.4-77.4000113.6
294D34.8Very low33.2Very low148 Ų148150 Ų15079%0.79178%0.779SS**  trans-66.5145.4-179.5-67.1-48.4000116.5
295K37.7Very low32.5Very low207 Ų207153.8 Ų153.890%0.979%0.793SS**  166.2144116.9-96.5179.5176.8177.10114.2
296D31.4Very low31.8Very low150 Ų150153.9 Ų153.980%0.80279%0.793SS**  trans-62.9143178.8-56.2-58.2000115.7
297L34.5Very low31.3Very low160 Ų160154.6 Ų154.684%0.83880%0.797SS**  160.8116.6106.6-138.979.8000112.5
298S29Very low31.2Very low93 Ų93153.2 Ų153.265%0.6579%0.794SS**  trans36120.4150.364.90000122.4
299T31.5Very low31.1Very low130 Ų130149.5 Ų149.580%0.79879%0.789SS**  -178.2126.3112.223.80000112.3
300F28Very low30.8Very low189 Ų189149 Ų14983%0.82979%0.792SS**  trans5.2113.4159.2-56.6-88.4000120.6
301D28.4Very low30.5Very low154 Ų154146.9 Ų146.982%0.82478%0.783SS**  172.1102.1114.6-104.5-18000110
302E31.4Very low30.1Very low174 Ų174144.6 Ų144.681%0.81379%0.785SS**  trans-138108.7162.9-88.4-166.5164.800110S304E302-S304 PolarHBondContact O-N 3.11Å; E302-S304 VanDerWaalsContact O-N 3.09Å
303H29Very low30Very low202 Ų202144.2 Ų144.294%0.93577%0.774SS**  trans-74.380.3155.9-82.5-70.9000108.6
304S30.6Very low29.6Very low78 Ų78139 Ų13955%0.54576%0.762SS.*  trans-100.7123.7164.255.10000109.4E302 Q306E302-S304 PolarHBondContact O-N 3.11Å; E302-S304 VanDerWaalsContact O-N 3.09Å; S304-Q306 PolarHBondContact O-N 2.95Å
305I28.9Very low29.3Very low160 Ų160136.3 Ų136.382%0.82175%0.747SS**  trans-67.899.8171.1-66.1169.8000106.6C307I305-C307 PolarHBondContact O-N 3.2Å; I305-C307 VanDerWaalsContact O-N 3.11Å
306Q25.2Very low29.1Very low185 Ų185128.5 Ų128.586%0.86472%0.718SS**  trans-60.9106.7167.6-79.3176.5-26.500109.5S304S304-Q306 PolarHBondContact O-N 2.95Å
307C26.7Very low28.9Very low114 Ų114123.9 Ų123.977%0.7770%0.697SS**  trans-89.8125.2152.3-76.30000107.7I305I305-C307 PolarHBondContact O-N 3.2Å; I305-C307 VanDerWaalsContact O-N 3.11Å
308S28.5Very low28.8Very low107 Ų107120.1 Ų120.175%0.74867%0.674SS**  trans-61.5137.2-177.661.90000112.3
309P31.1Very low29Very low112 Ų112119 Ų11973%0.72767%0.67SS**  trans-84.3110.1161.932.8-24.5000107.4
310N24.8Very low29.1Very low159 Ų159116.1 Ų116.185%0.8566%0.659SS**  trans162.594.3152.3-82.6-15.8000111
311S29.2Very low29.3Very low94 Ų94110.3 Ų110.366%0.65764%0.642SS**  trans-156.8103.114559.20000108.4I313S311-I313 PolarHBondContact O-N 2.96Å
312T26.3Very low29.6Very low133 Ų133107.2 Ų107.282%0.81663%0.625SS**  trans-60.3113.4165.344.90000108.6
313I26.8Very low29.8Very low82 Ų82102.3 Ų102.342%0.42161%0.61SS.*  trans-98.3119177.3-68.8167.4000106.3S311 L315S311-I313 PolarHBondContact O-N 2.96Å; I313-L315 HydrophobicContact CG2-CD1 4.06Å; I313-L315 HydrophobicContact CG2-CD2 4.17Å; I313-L315 HydrophobicContact CG2-CG 3.78Å
314C28.2Very low30.2Very low88 Ų88103.4 Ų103.460%0.59561%0.606SS**  trans-112.4114.6175.6-139.50000107D267D267-C314 PolarHBondContact OD2-SG 2.86Å
315L29.2Very low30.3Very low91 Ų91106.9 Ų106.948%0.47662%0.617SS.*  trans-107.4105.8-175.8-68.4160.4000109.1R269 I313R269-L315 PolarHBondContact NH1-O 3.41Å; I313-L315 HydrophobicContact CG2-CD1 4.06Å; I313-L315 HydrophobicContact CG2-CD2 4.17Å; I313-L315 HydrophobicContact CG2-CG 3.78Å
316S31.9Very low30.6Very low43 Ų43104.6 Ų104.630%0.30161%0.611SS.*  trans-136.1132.2163.5173.40000109.8D462S316-D462 WeakPolarHBondContact CA-OD1 3.49Å; S316-D462 WeakPolarHBondContact CA-OD2 3.39Å; S316-D462 VanDerWaalsContact CB-OD1 3.28Å; S316-D462 WeakPolarHBondContact CB-OD1 3.21Å; S316-D462 WeakPolarHBondContact CB-OD2 3.33Å; S316-D462 PolarHBondContact OG-OD1 3.38Å; S316-D462 PolarHBondContact OG-OD2 3.2Å
317P28.6Very low30.8Very low54 Ų54106.8 Ų106.835%0.35161%0.612SS.*SBendtrans-92.913.4-170.333.4-21.1000114.8L461 D462P317-L461 WeakPolarHBondContact CG-O 3.43Å; P317-D462 WeakPolarHBondContact CD-OD1 3.36Å
318F30.6Very low31Very low81 Ų81106.1 Ų106.136%0.35561%0.614SS.*SBendtrans-100.4-22.1174-100-102.6000115.6A320 E458 L461F318-A320 VanDerWaalsContact C-N 3.3Å; F318-A320 PolarHBondContact O-N 3.03Å; F318-E458 HydrophobicContact CB-CB 4.18Å; F318-E458 HydrophobicContact CB-CG 3.99Å; F318-E458 HydrophobicContact CD1-CG 3.99Å; F318-E458 HydrophobicContact CG-CB 4.45Å; F318-E458 HydrophobicContact CG-CG 4.07Å; F318-L461 HydrophobicContact CD2-CB 3.78Å; F318-L461 HydrophobicContact CD2-CD1 3.53Å; F318-L461 HydrophobicContact CD2-CG 4.16Å; F318-L461 HydrophobicContact CE1-CD1 4.19Å; F318-L461 HydrophobicContact CE2-CB 3.76Å; F318-L461 HydrophobicContact CE2-CD1 3.01Å; F318-L461 HydrophobicContact CE2-CD2 3.98Å; F318-L461 HydrophobicContact CE2-CG 3.71Å; F318-L461 HydrophobicContact CG-CD1 4.32Å; F318-L461 HydrophobicContact CZ-CD1 3.39Å; F318-L461 HydrophobicContact CZ-CG 4.45Å
319A34.4Very low31Very low70 Ų70108.2 Ų108.258%0.57961%0.612SS**Hα-helixtrans-69.8-17.6-174.800000115.4S323A319-S323 WeakPolarHBondContact O-CB 3.33Å; A319-S323 PolarHBondContact O-OG 3.14Å
320A32.5Very low31.1Very low69 Ų69110.7 Ų110.757%0.5761%0.611SS**Hα-helixtrans-89-18.9-176.100000114.7F318F318-A320 VanDerWaalsContact C-N 3.3Å; F318-A320 PolarHBondContact O-N 3.03Å
321S33.4Very low31.5Very low67 Ų67111 Ų11147%0.46961%0.608SS.*Hα-helixtrans-95-26177.3-65.20000113
322L33.4Very low31.5Very low89 Ų89110.4 Ų110.447%0.46660%0.603SS.*Hα-helixtrans-85.4-22.7176.1-90.1162000114.3R324 L325 T326 E458L322-R324 VanDerWaalsContact C-N 3.28Å; L322-R324 PolarHBondContact O-N 3.45Å; L322-L325 PolarHBondContact O-N 3.46Å; L322-T326 PolarHBondContact O-OG1 2.97Å; L322-E458 WeakPolarHBondContact CD1-OE1 3.35Å
323S36.5Very low31.8Very low70 Ų70112.2 Ų112.249%0.4960%0.6SS.*THydrogen-bonded Turntrans-76.7-11174.752.10000114.2A319A319-S323 WeakPolarHBondContact O-CB 3.33Å; A319-S323 PolarHBondContact O-OG 3.14Å
324R36.5Very low31.9Very low225 Ų225118.2 Ų118.285%0.84962%0.618SS**THydrogen-bonded Turntrans-98-10174.8-70.5-173.9176.9-164.60.8114.3L322L322-R324 VanDerWaalsContact C-N 3.28Å; L322-R324 PolarHBondContact O-N 3.45Å
325L34.2Very low32.2Very low151 Ų151120.9 Ų120.979%0.79163%0.625SS**THydrogen-bonded Turntrans-103.4-6.6175.9-96.3151.5000113.9L322L322-L325 PolarHBondContact O-N 3.46Å
326T34.2Very low32.3Very low113 Ų113122.3 Ų122.369%0.69363%0.633SS**SBendtrans-116.911.7-177.3520000114.7L322L322-T326 PolarHBondContact O-OG1 2.97Å
327R30.9Very low32.5Very low231 Ų231129.7 Ų129.787%0.87266%0.663SS**  trans-132.668.7178.1-152.9175.7-149.1138.44112.6
328A29.2Very low32.7Very low99 Ų99132.7 Ų132.782%0.81869%0.685SS**  trans-13269.2165.400000110
329E29.7Very low32.8Very low152 Ų152132.8 Ų132.871%0.7171%0.709SS**  trans-155.3120154.5-107.7-165.4140.900111.6
330K33.3Very low32.7Very low163 Ų163136.8 Ų136.871%0.70972%0.721SS**  trans54.7132.5147.8-66164.2-176.5152.50117.9
331Q33Very low32.8Very low166 Ų166144.7 Ų144.778%0.77674%0.736SS**  cis-168155.723.4-122167.26.700111.1
332S28Very low32.7Very low81 Ų81152.4 Ų152.457%0.56676%0.755SS**  trans-40.5152.7156.145.10000114.7
333F32.9Very low32.7Very low171 Ų171153.9 Ų153.975%0.7577%0.772SS**  -162.4132.476.5-85.7-84.2000111.1
334R29.4Very low32.5Very low209 Ų209157 Ų15779%0.78979%0.791SS**  49128.4105.6-60.7-164.7-178.1-144.72.6115.2
335L34.8Very low32.4Very low143 Ų143150.1 Ų150.175%0.74979%0.79SS**  -158.1140.162.2-109.696.5000114.6
336N30.6Very low32.2Very low122 Ų122152.4 Ų152.465%0.65280%0.797SS**  trans46.4117.1135-54.5-6.5000122.5
337H36.5Very low32Very low197 Ų197152.7 Ų152.791%0.91280%0.803SS**  -146.3149.4111.4-93.2-51.1000111.9
338S32.7Very low31.8Very low117 Ų117150.1 Ų150.182%0.81881%0.806SS**  trans-75.9150.2-16249.50000116.4
339G33.7Very low32Very low84 Ų84150.6 Ų150.687%0.86680%0.803SS**  trans174.9101.7164.300000113.6
340N31.2Very low32Very low153 Ų153148.2 Ų148.282%0.81881%0.809SS**  trans-83.5135.6-167.7-165.715.1000113.6
341R34.5Very low31.6Very low235 Ų235146.9 Ų146.989%0.88782%0.815SS**  172.5118.7128.5-97.1-179.9-176.7-141.42115.5
342R30.9Very low31.3Very low230 Ų230149 Ų14987%0.86882%0.822SS**  trans6.8129.4146.3-66.8175.8172.9177.2-3.4120.7
343S34Very low31.4Very low119 Ų119151.5 Ų151.583%0.83283%0.834SS**  -178.1140.5106.9320000111.8
344P33.4Very low31.4Very low135 Ų135149 Ų14988%0.87784%0.835SS**  trans-104.1145.6171.536.3-26.4000111.7
345G34Very low31.6Very low81 Ų81143.9 Ų143.984%0.83583%0.827SS**  trans-158.2114.5172.500000110.7
346Q28.5Very low31.9Very low200 Ų200142 Ų14294%0.93582%0.818SS**  trans-76.7141.9-178.6-65.4166.5-13.600111.3
347S31.6Very low32.3Very low118 Ų118138.1 Ų138.183%0.82580%0.797SS**  trans-149.3120.7145.754.30000111
348L26.4Very low32.4Very low177 Ų177133.6 Ų133.693%0.92778%0.779SS**  trans-75.8127.9168.4-72.5149.9000108.7
349S32.2Very low32.7Very low110 Ų110130.2 Ų130.277%0.76976%0.756SS**  trans-171.3119.6153.746.70000113
350A29.8Very low33.1Very low101 Ų101131.6 Ų131.684%0.83574%0.736SS**  trans66.2109.5144.600000120.9F352A350-F352 PolarHBondContact O-N 3.18Å
351T25Very low33.5Very low135 Ų135125 Ų12583%0.82870%0.701SS**  trans-69.2105.7161.2-0.50000110.7
352F26.7Very low33.8Very low211 Ų211116 Ų11693%0.92567%0.674SS**  trans-166.297.4144.3-94.4-72.3000106.2A350A350-F352 PolarHBondContact O-N 3.18Å
353T31.2Very low34.4Very low134 Ų134111.9 Ų111.982%0.82266%0.658SS**PPolyproline II helixtrans-79.6123.2178.847.50000109.9T355T353-T355 PolarHBondContact O-N 2.93Å
354P31.3Very low34.6Very low119 Ų119108.8 Ų108.877%0.77363%0.632SS**PPolyproline II helixtrans-72.1126.9170.729.4-30.4000108.9N356P354-N356 PolarHBondContact O-N 3.48Å
355T34.1Very low34.8Very low100 Ų100102.7 Ų102.761%0.61359%0.593SS**PPolyproline II helixtrans-55.1132.516644.60000109.2T353 L357T353-T355 PolarHBondContact O-N 2.93Å; T355-L357 PolarHBondContact O-N 3.4Å
356N41.1Very low34.9Very low105 Ų105102.7 Ų102.756%0.56157%0.573SS**  trans-60.485.9-168.1-163.7-46.3000112.8P354 D358 S359P354-N356 PolarHBondContact O-N 3.48Å; N356-D358 PolarHBondContact O-N 3.16Å; N356-S359 WeakPolarHBondContact O-CB 3.34Å; N356-S359 PolarHBondContact O-N 2.94Å; N356-S359 VanDerWaalsContact O-N 3.07Å; N356-S359 PolarHBondContact O-OG 3.21Å; N356-S359 PolarHBondContact OD1-N 3.08Å; N356-S359 VanDerWaalsContact OD1-N 3.17Å
357L38.9Very low35Very low39 Ų3998.5 Ų98.520%0.20456%0.561CS.*THydrogen-bonded Turntrans-58-34.5178.2-169.380.8000112.1R149 T355 S359 Y360 I361R149-L357 HydrophobicContact CG-CD2 4.12Å; T355-L357 PolarHBondContact O-N 3.4Å; L357-S359 PolarHBondContact O-N 3.35Å; L357-Y360 PolarHBondContact O-N 3.06Å; L357-Y360 VanDerWaalsContact O-N 3.13Å; L357-I361 HydrophobicContact CD2-CD1 4.12Å; L357-I361 HydrophobicContact CG-CD1 3.92Å; L357-I361 PolarHBondContact O-N 2.87Å
358D39Very low35.3Very low102 Ų10299 Ų9955%0.54556%0.56SS.*Hα-helixtrans-60.9-29.7176.4-69.7-29.9000111.8N356 S362N356-D358 PolarHBondContact O-N 3.16Å; D358-S362 WeakPolarHBondContact O-CB 3Å; D358-S362 PolarHBondContact O-N 3.1Å; D358-S362 VanDerWaalsContact O-N 3.11Å; D358-S362 PolarHBondContact O-OG 2.99Å
359S40Very low35.4Very low47 Ų4796.2 Ų96.233%0.32955%0.552SS.*Hα-helixtrans-79.5-16.417875.40000115.1N356 L357 S362 R363N356-S359 WeakPolarHBondContact O-CB 3.34Å; N356-S359 PolarHBondContact O-N 2.94Å; N356-S359 VanDerWaalsContact O-N 3.07Å; N356-S359 PolarHBondContact O-OG 3.21Å; N356-S359 PolarHBondContact OD1-N 3.08Å; N356-S359 VanDerWaalsContact OD1-N 3.17Å; L357-S359 PolarHBondContact O-N 3.35Å; S359-S362 WeakPolarHBondContact CA-OG 3.22Å; S359-R363 WeakPolarHBondContact O-CD 3.27Å; S359-R363 WeakPolarHBondContact O-CG 3.3Å; S359-R363 PolarHBondContact O-NE 2.94Å
360Y40.8Very low35.4Very low112 Ų11298.5 Ų98.544%0.43956%0.555SS.*Hα-helixtrans-93.6-42.1177.5-169.2-81.3000110.8P147 L357 R363P147-Y360 HydrophobicContact CB-CD1 3.75Å; P147-Y360 HydrophobicContact CB-CE1 3.26Å; L357-Y360 PolarHBondContact O-N 3.06Å; L357-Y360 VanDerWaalsContact O-N 3.13Å; Y360-R363 WeakPolarHBondContact O-CB 3.49Å; Y360-R363 PolarHBondContact O-N 3.25Å
361I40.6Very low35.2Very low16 Ų16101.1 Ų101.18%0.08256%0.555CS.*Hα-helixtrans-71-33.4176.1-60173.3000110.8P147 C148 L186 L357 R363 L364 S365P147-I361 WeakPolarHBondContact O-CG1 3.31Å; C148-I361 HydrophobicContact CB-CD1 3.96Å; C148-I361 HydrophobicContact CB-CG1 4.43Å; L186-I361 HydrophobicContact CD1-CG2 3.99Å; L186-I361 HydrophobicContact CD2-CG2 4.27Å; L357-I361 HydrophobicContact CD2-CD1 4.12Å; L357-I361 HydrophobicContact CG-CD1 3.92Å; L357-I361 PolarHBondContact O-N 2.87Å; I361-R363 VanDerWaalsContact C-N 3.3Å; I361-R363 PolarHBondContact O-N 3.01Å; I361-L364 PolarHBondContact O-N 3.43Å; I361-S365 PolarHBondContact O-N 3.01Å; I361-S365 PolarHBondContact O-OG 3.23Å
362S41Very low35.5Very low46 Ų46102.6 Ų102.632%0.32256%0.557SS.*Hα-helixtrans-70.7-19.9172.458.40000114.4D358 S359 L364 S365 N366D358-S362 WeakPolarHBondContact O-CB 3Å; D358-S362 PolarHBondContact O-N 3.1Å; D358-S362 VanDerWaalsContact O-N 3.11Å; D358-S362 PolarHBondContact O-OG 2.99Å; S359-S362 WeakPolarHBondContact CA-OG 3.22Å; S362-L364 PolarHBondContact O-N 3.26Å; S362-S365 WeakPolarHBondContact CA-O 3.4Å; S362-S365 CarbonylContact O-C 3.52Å; S362-S365 PolarHBondContact O-N 3.17Å; S362-N366 PolarHBondContact O-N 2.71Å
363R42.6Very low35.6Very low143 Ų14398.1 Ų98.154%0.5455%0.552SS.*Hα-helixtrans-66.9-26.6169.5-73.2166.2-168.2-151.8-1.3112.2S359 Y360 I361S359-R363 WeakPolarHBondContact O-CD 3.27Å; S359-R363 WeakPolarHBondContact O-CG 3.3Å; S359-R363 PolarHBondContact O-NE 2.94Å; Y360-R363 WeakPolarHBondContact O-CB 3.49Å; Y360-R363 PolarHBondContact O-N 3.25Å; I361-R363 VanDerWaalsContact C-N 3.3Å; I361-R363 PolarHBondContact O-N 3.01Å
364L38.2Very low35.6Very low53 Ų5399 Ų9928%0.27755%0.546SS..Hα-helixtrans-88-18.8174.9-64.2172.9000112.4F187 F190 I361 S362F187-L364 HydrophobicContact CE2-CB 4.38Å; F187-L364 WeakPolarHBondContact CE2-O 3.2Å; F190-L364 HydrophobicContact CE1-CD1 4.22Å; I361-L364 PolarHBondContact O-N 3.43Å; S362-L364 PolarHBondContact O-N 3.26Å
365S37.8Very low35.6Very low8 Ų8100 Ų1006%0.05655%0.545CS..SBendtrans-168.391.9-177.1440000110.8L186 I361 S362L186-S365 WeakPolarHBondContact CD2-O 3.42Å; L186-S365 WeakPolarHBondContact CD2-OG 3.47Å; I361-S365 PolarHBondContact O-N 3.01Å; I361-S365 PolarHBondContact O-OG 3.23Å; S362-S365 WeakPolarHBondContact CA-O 3.4Å; S362-S365 CarbonylContact O-C 3.52Å; S362-S365 PolarHBondContact O-N 3.17Å
366N36.1Very low35.1Very low81 Ų81103 Ų10343%0.43355%0.552SS.*  trans174.1126.1140.7-87.9-7.1000113.9C184 S362C184-N366 WeakPolarHBondContact CA-OD1 3.37Å; C184-N366 WeakPolarHBondContact CB-OD1 3.34Å; C184-N366 PolarHBondContact O-OD1 3Å; C184-N366 PolarHBondContact SG-OD1 3.43Å; S362-N366 PolarHBondContact O-N 2.71Å
367V31Very low34.6Very low111 Ų111103.3 Ų103.367%0.67356%0.561SS**  trans-78.5143.6170176.20000110.6
368T37.5Very low34.1Very low130 Ų130107.5 Ų107.580%0.79859%0.588SS**  trans-133.6153165.730.50000113.3
369P28.2Very low33.6Very low118 Ų118106.6 Ų106.677%0.76660%0.595SS**  trans-90.1143.2-156.635.6-32.4000112.1
370N32.2Very low33.2Very low157 Ų157111.7 Ų111.784%0.8462%0.619SS**  trans-118.9125.7168.4-108.4-0.4000112.1
371N26.8Very low32.8Very low156 Ų156111.8 Ų111.883%0.83464%0.636SS**  trans-73135.7159.3-83.3-39.1000109.4
372L30.4Very low32.6Very low167 Ų167116.6 Ų116.687%0.87467%0.668SS**  trans-168.5128.3144.4-110.3137.5000113.4
373S30Very low32.1Very low116 Ų116120.5 Ų120.581%0.81170%0.695SS**  trans-168.5151.2143.655.60000107.4
374H29.7Very low31.3Very low152 Ų152116.6 Ų116.670%0.70470%0.7SS**  cis-175.9152-21.8-162.4-87.1000104.2
375L31.3Very low31Very low141 Ų141123.4 Ų123.474%0.73873%0.727SS**  trans143.2106.1145.5-76.2154.5000116.1
376Q25.3Very low30.6Very low163 Ų163129.5 Ų129.576%0.76276%0.759SS**  33.8125.3126.6-68.2176.8-21.800122.6
377C29.5Very low30.3Very low111 Ų111132.8 Ų132.875%0.7578%0.776SS**  174.6113.3117.3-106.10000110.8
378T28.4Very low30.3Very low127 Ų127139.6 Ų139.678%0.77979%0.789SS**  90113.698.554.50000117.6
379A28.6Very low29.7Very low84 Ų84145.3 Ų145.369%0.69480%0.796SS**  trans57.1112131.700000122.5
380N31.5Very low29.8Very low153 Ų153143.1 Ų143.182%0.81880%0.795SS**  155.4124.3104-87-19.4000115.5
381S32.4Very low29.7Very low114 Ų114140.8 Ų140.880%0.79779%0.791SS**  trans79.1149.2137.1-56.50000123.7
382P36.1Very low29.8Very low118 Ų118140.3 Ų140.377%0.76679%0.788SS**  trans-123.3-175.1-156.736.1-15.2000115.5
383S30.3Very low29.8Very low127 Ų127139.2 Ų139.289%0.88879%0.788SS**  trans78.7142.7171.775.30000116.2
384G27.1Very low29.8Very low62 Ų62140.5 Ų140.564%0.63978%0.781SS**  cis170.1168.62.600000108.6
385F31.9Very low30Very low195 Ų195138.2 Ų138.286%0.85579%0.788SS**  trans96.7104.8163.5-63.3-81.4000122.3
386L29.5Very low30Very low136 Ų136139.4 Ų139.471%0.71279%0.79SS**  59124.9120.8-62.5-179.2000124.7
387L27.9Very low30.4Very low151 Ų151140.9 Ų140.979%0.79180%0.797SS**  trans56117.9130.2-71.2162000121.6
388R31.8Very low30.6Very low253 Ų253140.7 Ų140.796%0.95580%0.804SS**  -167.6155.6116.6-121.4-179.5-174.6-177.32.2114.6
389R25.7Very low30.8Very low250 Ų250137.9 Ų137.994%0.94380%0.8SS**  trans-110.8154.7-170.7-170.2-171.6-163.1-172.85.8110.3
390G30.4Very low31.1Very low72 Ų72142.1 Ų142.174%0.74281%0.811SS**  trans149.7108.9163.100000110.2
391S29.4Very low31.2Very low109 Ų109142 Ų14276%0.76281%0.808SS**  88.6120.854.1-172.30000115
392L28.1Very low31.1Very low145 Ų145142.2 Ų142.276%0.75981%0.809SS**  trans65.5129.8156.4-10088000121
393V31.7Very low31Very low144 Ų144142.8 Ų142.887%0.87381%0.811SS**  -161.7144.499.3156.50000110
394Q29.1Very low31.5Very low144 Ų144142.8 Ų142.867%0.67381%0.807SS**  trans-98.9151.6-174.9177.6-178.33.600110.6
395A34.5Very low31.7Very low104 Ų104149.6 Ų149.686%0.8682%0.819SS**  trans-159.8125.9145.700000111.1
396Q30.1Very low32.3Very low166 Ų166145.8 Ų145.878%0.77681%0.814SS**  trans-110.2156172.4-70.3173.5-52.600109.9
397Q33.8Very low32.4Very low193 Ų193146.5 Ų146.590%0.90282%0.823SS**  trans-149.7113.6140.8-72.2-172-16.400106
398A34.8Very low32.6Very low108 Ų108142.1 Ų142.189%0.89382%0.815SS**  63.7131.372.900000113.3
399G32.8Very low32.6Very low68 Ų68135.5 Ų135.570%0.70181%0.808SS**  cis-161.4168.33.400000108.5
400N34.4Very low32.8Very low173 Ų173131 Ų13193%0.92580%0.801SS**  -173.7155.278.7-99.4-0.7000112.5
401I32.5Very low33Very low149.5 Ų149.5136.4 Ų136.477%0.76781%0.807SS**  trans176.6126.7151.4-69.4165.9000115.9
402C32.2Very low33.2Very low118 Ų118137.5 Ų137.580%0.79781%0.809SS**  trans135.9130.6134.3-88.80000119.5
403T33.5Very low33.6Very low132 Ų132135.5 Ų135.581%0.8181%0.805SS**  trans-4.1149.1155.150.50000116.4
404P40.8Very low33.7Very low126 Ų126138.8 Ų138.882%0.81881%0.807SS**  trans-128.9154.5143.436.8-24.1000114.9
405K30.5Very low33.9Very low205.5 Ų205.5140.1 Ų140.189%0.89381%0.813SS**  trans-148.1167.6160.1-104.4176.9-177.7179.60109.2
406P44.7Very low33.7Very low114.5 Ų114.5142 Ų14274%0.74481%0.809SS**  -124.3175.8-100.437.5-23.8000114
407V32.8Very low33.7Very low150 Ų150138.7 Ų138.791%0.90980%0.804SS**  trans161.9137.6141.6158.90000109.6
408G31.1Very low33.6Very low60.5 Ų60.5136.5 Ų136.562%0.62480%0.797SS**  149.3151.768.800000116.6
409S31.4Very low33.3Very low113.5 Ų113.5138.4 Ų138.479%0.79479%0.792SS**  trans50.3121.3158.559.40000119.2
410I30.1Very low33.3Very low156 Ų156142.8 Ų142.880%0.880%0.796SS**  133.6117.760.5-65.6163.9000110
411Q34.1Very low33Very low185.5 Ų185.5139.7 Ų139.787%0.86778%0.784SS**  trans-172.5132.7134.1-103173.928.800111.3
412T34.2Very low32.9Very low130.5 Ų130.5138.3 Ų138.380%0.80178%0.782SS**  trans-42166.1163.153.10000116.6
413P36.1Very low32.8Very low104 Ų104139.8 Ų139.868%0.67578%0.782SS**  trans-111.1158.9-142.938.1-25.7000113.7
414K33.7Very low32.5Very low213 Ų213144.9 Ų144.993%0.92679%0.786SS**  trans-141.4130.6150.7-74.4-165.7177.3178.20109.5
415H33.9Very low31.8Very low171.5 Ų171.5142.5 Ų142.579%0.79478%0.784SS**  trans154.8145.3146.1-117.8-87.8000114
416N29.6Very low31.7Very low143 Ų143143.3 Ų143.377%0.76578%0.781SS**  trans9.1147.6164.5-64.3-20.5000115.3
417S31.7Very low30.8Very low98 Ų98145.6 Ų145.669%0.68579%0.786SS**  -177.2144.961.449.60000112.2
418I31.6Very low30.6Very low147.5 Ų147.5143.9 Ų143.976%0.75678%0.781SS**  92.9112.2117.2-71.9157.8000115.9
419N28.5Very low30.5Very low146.5 Ų146.5146 Ų14678%0.78379%0.786SS**  trans5.7145.8146.9-72.1-11.5000116.8
420M31Very low30.3Very low161 Ų161146.4 Ų146.479%0.79378%0.784SS**  -163.2142.663.5-102.8-66.1-109.200111.3
421T28.6Very low30.2Very low108.5 Ų108.5150 Ų15067%0.66679%0.788SS**  trans-45.7155.5158.749.30000115.2
422T31.9Very low29.8Very low119 Ų119147.7 Ų147.773%0.7378%0.781SS**  148.8147.785.943.10000114.5
423L28.5Very low29.5Very low149 Ų149147.5 Ų147.578%0.7878%0.775SS**  142-159.663.1-108.3172.6000119.1
424R27.1Very low29.1Very low240.5 Ų240.5148.4 Ų148.491%0.90877%0.773SS**  trans138.9145.7173.8-72.5175.6172.3-166.2-2.3113.7
425G26.8Very low28.9Very low74.5 Ų74.5149.1 Ų149.177%0.76877%0.771SS**  154.599.290.700000114.7
426R27.4Very low28.5Very low222.5 Ų222.5146.3 Ų146.384%0.8477%0.77SS**  trans68.9125.3159.4-86.5-177.8179.6179.21.6115.5
427L26.8Very low28.5Very low162.5 Ų162.5144.4 Ų144.485%0.85177%0.769SS**  74.2137.7112-68.2170.2000115.1
428S29.2Very low28.3Very low114.5 Ų114.5146.7 Ų146.780%0.80177%0.773SS**  -173160.477.9-3.40000110.6
429S29Very low28.3Very low104 Ų104147 Ų14773%0.72778%0.776SS**  -118137.3-86.671.50000111.3
430T27.1Very low28.3Very low123.5 Ų123.5147.9 Ų147.976%0.75878%0.775SS**  trans131124.8136.649.60000114.2
431R27.7Very low28.1Very low230.5 Ų230.5148 Ų14887%0.8777%0.773SS**  -170.7143.492.6-99.1-169.7174.6-161.12109.8
432L26Very low28.1Very low138.5 Ų138.5148.9 Ų148.973%0.72578%0.779SS**  trans138.1160.7150.2-87.1167.2000112.7
433N27.5Very low28Very low126 Ų126149 Ų14967%0.67478%0.782SS**  134.8124.1-84.3-84.4-9.7000110.2
434I27.2Very low27.8Very low123 Ų123148.9 Ų148.963%0.63179%0.787SS**  67110.598.6-58.6163.4000114.7
435Y30Very low27.9Very low228 Ų228148.7 Ų148.789%0.89479%0.786SS**  -166.2136.3110.8-99-71.7000109.6
436S25.4Very low28Very low111 Ų111149.5 Ų149.578%0.77679%0.785SS**  trans-130.8136.2176.6117.10000111
437S30Very low28Very low104 Ų104146.6 Ų146.673%0.72778%0.781SS**  trans-140.4125.4155.5400000111.1
438N27.1Very low28.2Very low146 Ų146146.3 Ų146.378%0.78177%0.773SS**  trans39.3113.8146.4-49.5-14000120.3
439L31.1Very low28.2Very low153.5 Ų153.5148 Ų14880%0.80477%0.772SS**  -169.2138.195.9-12084.2000110.9
440H29.2Very low28.6Very low165 Ų165151 Ų15176%0.76477%0.769SS**  trans-32.5129.9163.9-74.1-79.5000115.9
441E26.7Very low28.9Very low163 Ų163150.8 Ų150.876%0.76277%0.768SS**  -147.3128.871.9-91.3-179.717600106.4P443E441-P443 WeakPolarHBondContact O-CD 3.34Å
442T27.9Very low29.3Very low127.5 Ų127.5144.3 Ų144.378%0.78275%0.749SS**  trans-143.9125145.739.70000109.6V444T442-V444 PolarHBondContact O-N 3.46Å
443P29.8Very low29.9Very low123 Ų123141.1 Ų141.180%0.79973%0.733SS**  trans-82122.9-172.631.1-31.9000112E441 R445E441-P443 WeakPolarHBondContact O-CD 3.34Å; P443-R445 PolarHBondContact O-N 3.43Å
444V25.4Very low30.8Very low145.5 Ų145.5139.5 Ų139.588%0.88273%0.729SS**  trans-77.1118.7164.41770000108.5T442 A446T442-V444 PolarHBondContact O-N 3.46Å; V444-A446 PolarHBondContact O-N 3.06Å
445R28Very low31.4Very low236 Ų236139 Ų13989%0.89173%0.728SS**  trans-92.5112.2175.5-136.9177.8-169.3135.31.2108.4P443 E447P443-R445 PolarHBondContact O-N 3.43Å; R445-E447 PolarHBondContact O-N 3.31Å
446A28.9Very low32Very low91.5 Ų91.5133.4 Ų133.476%0.75671%0.71SS**  trans-70.9128.4174.700000110.5V444 K448V444-A446 PolarHBondContact O-N 3.06Å; A446-K448 PolarHBondContact O-N 3.15Å
447E27.7Very low32.7Very low161.5 Ų161.5131.3 Ų131.376%0.75569%0.692SS**  trans-114.5105.9167.9-88.6-174.8175.800110.1R445 L449R445-E447 PolarHBondContact O-N 3.31Å; E447-L449 PolarHBondContact O-N 3.05Å
448K32Very low33.3Very low157.5 Ų157.5131.4 Ų131.469%0.68568%0.681SS**  trans-139.3118.6146.4-77.9-178.9178178.80110A446 Y450A446-K448 PolarHBondContact O-N 3.15Å; K448-Y450 HydrophobicContact CB-CD2 4.09Å; K448-Y450 HydrophobicContact CB-CE2 3.96Å; K448-Y450 HydrophobicContact CD-CE1 4.48Å; K448-Y450 HydrophobicContact CD-CE2 4.31Å; K448-Y450 VanDerWaalsContact CD-OH 3.29Å; K448-Y450 WeakPolarHBondContact CD-OH 3.27Å; K448-Y450 WeakPolarHBondContact O-CD2 3.49Å; K448-Y450 WeakPolarHBondContact O-CE2 3.02Å; K448-Y450 PolarHBondContact O-N 3.2Å
449L29.5Very low33.9Very low148.5 Ų148.5129.6 Ų129.678%0.77767%0.672SS**  trans-63.8124.2163-72157.6000109.1E447 F630E447-L449 PolarHBondContact O-N 3.05Å; L449-F630 HydrophobicContact CD1-CD2 4.17Å; L449-F630 HydrophobicContact CD1-CE2 3.49Å; L449-F630 VanDerWaalsContact CD1-CE2 3.49Å; L449-F630 HydrophobicContact CD1-CZ 4.15Å
450Y35.6Very low34.3Very low169 Ų169127.5 Ų127.566%0.66366%0.661SS**  trans-109.5131.7172.5-67.8-81.3000109.9K448 I452K448-Y450 HydrophobicContact CB-CD2 4.09Å; K448-Y450 HydrophobicContact CB-CE2 3.96Å; K448-Y450 HydrophobicContact CD-CE1 4.48Å; K448-Y450 HydrophobicContact CD-CE2 4.31Å; K448-Y450 VanDerWaalsContact CD-OH 3.29Å; K448-Y450 WeakPolarHBondContact CD-OH 3.27Å; K448-Y450 WeakPolarHBondContact O-CD2 3.49Å; K448-Y450 WeakPolarHBondContact O-CE2 3.02Å; K448-Y450 PolarHBondContact O-N 3.2Å; Y450-I452 PolarHBondContact O-N 3.39Å
451T33.7Very low34.8Very low119 Ų119123 Ų12373%0.7364%0.642SS**PPolyproline II helixtrans-57.2127.7159.935.90000109.9D453T451-D453 PolarHBondContact O-N 3.47Å
452I36.6Very low35.7Very low93.5 Ų93.5118.7 Ų118.748%0.47962%0.624SS.*PPolyproline II helixtrans-81.1121179.2-56.1173000108.8Y450 V457 L460Y450-I452 PolarHBondContact O-N 3.39Å; I452-V457 HydrophobicContact CG2-CG2 3.99Å; I452-L460 HydrophobicContact CG2-CD1 4.1Å
453D39Very low36.6Very low71 Ų71119.2 Ų119.238%0.3862%0.618SS.*PPolyproline II helixtrans-74.2131.9170.1-153.2-4.9000108.8T451 D455 Q456 V457 S1366T451-D453 PolarHBondContact O-N 3.47Å; D453-D455 PolarHBondContact O-N 3.14Å; D453-D455 VanDerWaalsContact O-N 3.16Å; D453-Q456 HydrophobicContact CB-CB 4.36Å; D453-Q456 HydrophobicContact CB-CG 4.07Å; D453-Q456 WeakPolarHBondContact O-CA 3.46Å; D453-Q456 WeakPolarHBondContact O-CB 3.36Å; D453-Q456 PolarHBondContact O-N 3.3Å; D453-V457 PolarHBondContact O-N 2.9Å; D453-S1366 WeakPolarHBondContact OD2-CB 3.46Å; D453-S1366 PolarHBondContact OD2-OG 3.01Å
454P45.4Very low37.6Very low92 Ų92116.7 Ų116.760%0.59760%0.601SS**G310 helixtrans-54.5-28.1-178.318.8-32.4000114.3Q456 V457P454-Q456 VanDerWaalsContact C-N 3.29Å; P454-Q456 PolarHBondContact O-N 3.35Å; P454-V457 VanDerWaalsContact O-CB 3.27Å; P454-V457 WeakPolarHBondContact O-CB 3.14Å; P454-V457 PolarHBondContact O-N 2.92Å
455D40.9Very low39.1Very low114 Ų114114.5 Ų114.561%0.6158%0.584SS**G310 helixtrans-73-15.7178.8-65.3-8.8000112.9D453 N459D453-D455 PolarHBondContact O-N 3.14Å; D453-D455 VanDerWaalsContact O-N 3.16Å; D455-N459 PolarHBondContact O-ND2 3.33Å
456Q41.4Very low40.8Very low108.5 Ų108.5107 Ų10751%0.50756%0.561SS.*G310 helixtrans-86.3-17172.3-65.5-171.52100113.4D453 P454 E458 N459 L460D453-Q456 HydrophobicContact CB-CB 4.36Å; D453-Q456 HydrophobicContact CB-CG 4.07Å; D453-Q456 WeakPolarHBondContact O-CA 3.46Å; D453-Q456 WeakPolarHBondContact O-CB 3.36Å; D453-Q456 PolarHBondContact O-N 3.3Å; P454-Q456 VanDerWaalsContact C-N 3.29Å; P454-Q456 PolarHBondContact O-N 3.35Å; Q456-E458 VanDerWaalsContact C-N 3.35Å; Q456-N459 PolarHBondContact O-N 3.23Å; Q456-L460 WeakPolarHBondContact O-CB 3.42Å; Q456-L460 VanDerWaalsContact O-CG 3.24Å; Q456-L460 WeakPolarHBondContact O-CG 3.32Å; Q456-L460 PolarHBondContact O-N 2.89Å
457V41.8Very low42.6Very low67 Ų67103 Ų10341%0.40653%0.527SS..Hα-helixtrans-69.1-35.9176.7-179.70000111I452 D453 P454 N459 L460 L461I452-V457 HydrophobicContact CG2-CG2 3.99Å; D453-V457 PolarHBondContact O-N 2.9Å; P454-V457 VanDerWaalsContact O-CB 3.27Å; P454-V457 WeakPolarHBondContact O-CB 3.14Å; P454-V457 PolarHBondContact O-N 2.92Å; V457-N459 PolarHBondContact O-N 3.17Å; V457-L460 PolarHBondContact O-N 3.26Å; V457-L461 HydrophobicContact CG1-CD1 4.03Å; V457-L461 WeakPolarHBondContact O-CD1 3.46Å; V457-L461 VanDerWaalsContact O-CG 3.22Å; V457-L461 WeakPolarHBondContact O-CG 3.46Å; V457-L461 PolarHBondContact O-N 3.4Å
458E40.9Very low44.7Very low107.5 Ų107.597.9 Ų97.950%0.50250%0.503SS..G310 helixtrans-63.1-33.6175.7-65.3-161.1145.600112.3F318 L322 Q456 L460 L461F318-E458 HydrophobicContact CB-CB 4.18Å; F318-E458 HydrophobicContact CB-CG 3.99Å; F318-E458 HydrophobicContact CD1-CG 3.99Å; F318-E458 HydrophobicContact CG-CB 4.45Å; F318-E458 HydrophobicContact CG-CG 4.07Å; L322-E458 WeakPolarHBondContact CD1-OE1 3.35Å; Q456-E458 VanDerWaalsContact C-N 3.35Å; E458-L460 PolarHBondContact O-N 3.12Å; E458-L461 WeakPolarHBondContact O-CB 3.49Å; E458-L461 PolarHBondContact O-N 2.96Å
459N40.6Very low46.6Very low108 Ų10891.2 Ų91.258%0.57848%0.475SS*.G310 helixtrans-73.9-25.1179.8-67.4-59.6000113.6D455 Q456 V457 L461D455-N459 PolarHBondContact O-ND2 3.33Å; Q456-N459 PolarHBondContact O-N 3.23Å; V457-N459 PolarHBondContact O-N 3.17Å; N459-L461 VanDerWaalsContact C-N 3.3Å; N459-L461 PolarHBondContact O-N 3.38Å
460L38.9Very low48.8Very low110 Ų11084.9 Ų84.958%0.57644%0.443SS*.Hα-helixtrans-75.6-13.7175.5-75.9167.9000112.9I452 Q456 V457 E458 K468I452-L460 HydrophobicContact CG2-CD1 4.1Å; Q456-L460 WeakPolarHBondContact O-CB 3.42Å; Q456-L460 VanDerWaalsContact O-CG 3.24Å; Q456-L460 WeakPolarHBondContact O-CG 3.32Å; Q456-L460 PolarHBondContact O-N 2.89Å; V457-L460 PolarHBondContact O-N 3.26Å; E458-L460 PolarHBondContact O-N 3.12Å; L460-K468 HydrophobicContact CB-CD 4.48Å; L460-K468 WeakPolarHBondContact O-CD 3.42Å; L460-K468 WeakPolarHBondContact O-CE 3.46Å; L460-K468 PolarHBondContact O-NZ 3.42Å
461L40.5Very low50.8Low70 Ų7077.4 Ų77.437%0.36642%0.415SS..G310 helixtrans-91.72.2-176.2-73.1159.1000113.7P317 F318 V457 E458 N459P317-L461 WeakPolarHBondContact CG-O 3.43Å; F318-L461 HydrophobicContact CD2-CB 3.78Å; F318-L461 HydrophobicContact CD2-CD1 3.53Å; F318-L461 HydrophobicContact CD2-CG 4.16Å; F318-L461 HydrophobicContact CE1-CD1 4.19Å; F318-L461 HydrophobicContact CE2-CB 3.76Å; F318-L461 HydrophobicContact CE2-CD1 3.01Å; F318-L461 HydrophobicContact CE2-CD2 3.98Å; F318-L461 HydrophobicContact CE2-CG 3.71Å; F318-L461 HydrophobicContact CG-CD1 4.32Å; F318-L461 HydrophobicContact CZ-CD1 3.39Å; F318-L461 HydrophobicContact CZ-CG 4.45Å; V457-L461 HydrophobicContact CG1-CD1 4.03Å; V457-L461 WeakPolarHBondContact O-CD1 3.46Å; V457-L461 VanDerWaalsContact O-CG 3.22Å; V457-L461 WeakPolarHBondContact O-CG 3.46Å; V457-L461 PolarHBondContact O-N 3.4Å; E458-L461 WeakPolarHBondContact O-CB 3.49Å; E458-L461 PolarHBondContact O-N 2.96Å; N459-L461 VanDerWaalsContact C-N 3.3Å; N459-L461 PolarHBondContact O-N 3.38Å
462D44.5Very low52.9Low71.5 Ų71.575.5 Ų75.538%0.38239%0.394SS..  trans-88.9-3.3-176.9-80.4-2.6000114.9R269 S316 P317R269-D462 IonicContact CZ-OD2 3.68Å; R269-D462 IonicContact NE-OD2 3.48Å; R269-D462 IonicContact NH1-OD2 2.95Å; R269-D462 PolarHBondContact NH1-OD2 2.97Å; R269-D462 VanDerWaalsContact NH1-OD2 3.14Å; R269-D462 IonicContact NH2-OD2 2.86Å; R269-D462 PolarHBondContact NH2-OD2 3.27Å; R269-D462 VanDerWaalsContact NH2-OD2 3.16Å; S316-D462 WeakPolarHBondContact CA-OD1 3.49Å; S316-D462 WeakPolarHBondContact CA-OD2 3.39Å; S316-D462 VanDerWaalsContact CB-OD1 3.28Å; S316-D462 WeakPolarHBondContact CB-OD1 3.21Å; S316-D462 WeakPolarHBondContact CB-OD2 3.33Å; S316-D462 PolarHBondContact OG-OD1 3.38Å; S316-D462 PolarHBondContact OG-OD2 3.2Å; P317-D462 WeakPolarHBondContact CD-OD1 3.36Å
463E47.1Very low55Low139 Ų13973.4 Ų73.465%0.6538%0.384SS*.  trans-83.1123.2174.9-119.5175.6150.200111.2L465 K468E463-L465 PolarHBondContact O-N 3.03Å; E463-K468 VanDerWaalsContact OE2-CE 3.25Å; E463-K468 WeakPolarHBondContact OE2-CE 3.44Å; E463-K468 IonicContact OE2-NZ 3.2Å; E463-K468 PolarHBondContact OE2-NZ 2.98Å
464P51.4Low57Low70.5 Ų70.572 Ų7246%0.45838%0.377SS..  trans-69.7143.7174.829.8-34.5000110.9Y262 A270 L466Y262-P464 HydrophobicContact CD1-CB 4.25Å; Y262-P464 HydrophobicContact CD1-CG 3.99Å; Y262-P464 HydrophobicContact CE1-CB 3.7Å; Y262-P464 HydrophobicContact CE1-CG 3.85Å; A270-P464 HydrophobicContact CB-CG 3.86Å; P464-L466 PolarHBondContact O-N 2.83Å
465L57.1Low58.8Low99.5 Ų99.569.8 Ų69.852%0.52136%0.357SS..  trans11.357.8174.6-109.2120.8000114.8E198 A199 A200 Y262 E463E198-L465 HydrophobicContact CB-CD1 4.15Å; E198-L465 HydrophobicContact CB-CD2 4.44Å; E198-L465 WeakPolarHBondContact OE2-CD1 3.27Å; A199-L465 WeakPolarHBondContact O-CD2 3.45Å; A200-L465 HydrophobicContact CB-CD2 4.14Å; A200-L465 HydrophobicContact CB-CG 4.31Å; Y262-L465 PolarHBondContact OH-O 3.45Å; Y262-L465 VanDerWaalsContact OH-O 3.05Å; E463-L465 PolarHBondContact O-N 3.03Å
466L63.4Low60.8Low78 Ų7866.9 Ų66.941%0.40835%0.346SS..  trans-101.1126.1176.5-74.4172.5000111.9Y258 Y262 P464 K468Y258-L466 HydrophobicContact CD1-CD2 4.48Å; Y258-L466 HydrophobicContact CD2-CD2 4.27Å; Y258-L466 HydrophobicContact CE2-CD1 4.27Å; Y258-L466 HydrophobicContact CE2-CD2 4.47Å; Y258-L466 HydrophobicContact CG-CD2 4.3Å; Y262-L466 HydrophobicContact CD2-CD2 4.33Å; Y262-L466 HydrophobicContact CE2-CD2 3.7Å; P464-L466 PolarHBondContact O-N 2.83Å; L466-K468 PolarHBondContact O-N 3.22Å
467P67.7Low62.6Low6.5 Ų6.562.7 Ų62.74%0.04233%0.326CS..  trans-72.7115.917429.1-33.4000110.5P201 I203 F217 A253 Y258 L261 Y262 V469P201-P467 HydrophobicContact CG-CB 4.43Å; P201-P467 WeakPolarHBondContact O-CB 3.41Å; I203-P467 HydrophobicContact CD1-CB 3.51Å; I203-P467 HydrophobicContact CD1-CG 3.17Å; I203-P467 HydrophobicContact CG1-CB 3.62Å; I203-P467 HydrophobicContact CG1-CG 3.61Å; F217-P467 HydrophobicContact CE1-CB 4.35Å; F217-P467 HydrophobicContact CE1-CG 4.06Å; A253-P467 WeakPolarHBondContact CB-O 3.34Å; Y258-P467 HydrophobicContact CD1-CG 4.25Å; Y258-P467 HydrophobicContact CE1-CG 3.95Å; Y258-P467 WeakPolarHBondContact CE1-O 3Å; Y258-P467 PolarHBondContact OH-O 3.4Å; L261-P467 HydrophobicContact CD1-CG 4.2Å; Y262-P467 WeakPolarHBondContact OH-CD 3.43Å; P467-V469 PolarHBondContact O-N 3.25Å
468K70.6Confident64.1Low55.5 Ų55.565 Ų6524%0.24134%0.341CS..  trans-79.7-12-179.4-64.3176.7-179.5174.20113.6F108 T193 D197 A200 A253 L460 E463 L466F108-K468 HydrophobicContact CB-CB 4.16Å; T193-K468 HydrophobicContact CG2-CD 3.97Å; T193-K468 PolarHBondContact OG1-NZ 2.86Å; T193-K468 VanDerWaalsContact OG1-NZ 3.11Å; D197-K468 VanDerWaalsContact CG-NZ 3.35Å; D197-K468 IonicContact OD2-NZ 3.07Å; D197-K468 PolarHBondContact OD2-NZ 3.41Å; A200-K468 HydrophobicContact CB-CG 4.28Å; A253-K468 PolarHBondContact N-O 3.27Å; L460-K468 HydrophobicContact CB-CD 4.48Å; L460-K468 WeakPolarHBondContact O-CD 3.42Å; L460-K468 WeakPolarHBondContact O-CE 3.46Å; L460-K468 PolarHBondContact O-NZ 3.42Å; E463-K468 VanDerWaalsContact OE2-CE 3.25Å; E463-K468 WeakPolarHBondContact OE2-CE 3.44Å; E463-K468 IonicContact OE2-NZ 3.2Å; E463-K468 PolarHBondContact OE2-NZ 2.98Å; L466-K468 PolarHBondContact O-N 3.22Å
469V72.6Confident64.9Low17.5 Ų17.564.1 Ų64.111%0.10635%0.346CS..EExtended strand (participates in β ladder)trans-136.6137.6-163.7-178.20000110.6F108 L159 I203 L250 P467F108-V469 HydrophobicContact CD1-CG2 3.75Å; F108-V469 HydrophobicContact CE1-CG2 3.98Å; F108-V469 HydrophobicContact CG-CG2 4.14Å; L159-V469 HydrophobicContact CD2-CB 4.49Å; L159-V469 HydrophobicContact CD2-CG1 4.13Å; L159-V469 HydrophobicContact CD2-CG2 3.54Å; I203-V469 PolarHBondContact N-O 3.34Å; L250-V469 HydrophobicContact CD1-CG1 3.28Å; L250-V469 HydrophobicContact CG-CG1 3.93Å; P467-V469 PolarHBondContact O-N 3.25Å
470C75.6Confident65.3Low15 Ų1564 Ų6410%0.10135%0.354CS..EExtended strand (participates in β ladder)trans-121.1151.6176.8122.80000110.9I203 K205 E251I203-C470 CarbonylContact O-C 3.49Å; I203-C470 WeakPolarHBondContact O-CA 3.23Å; K205-C470 WeakPolarHBondContact CB-SG 3.16Å; E251-C470 PolarHBondContact N-O 2.9Å; E251-C470 PolarHBondContact O-N 3.09Å
471L77.5Confident65Low12.5 Ų12.562.7 Ų62.77%0.06536%0.359CS..EExtended strand (participates in β ladder)trans-115.7107.2177.3-73.8173.9000109.5M189 V202 I203 L204 K205 V235 W248 L249 L250M189-L471 HydrophobicContact SD-CD1 3.93Å; V202-L471 HydrophobicContact CG1-CD1 3.77Å; V202-L471 HydrophobicContact CG1-CG 3.75Å; I203-L471 PolarHBondContact O-N 2.92Å; L204-L471 WeakPolarHBondContact CA-O 3.49Å; L204-L471 HydrophobicContact CD2-CB 3.95Å; L204-L471 HydrophobicContact CD2-CD1 4.3Å; K205-L471 PolarHBondContact N-O 2.94Å; V235-L471 HydrophobicContact CB-CD2 4.19Å; V235-L471 HydrophobicContact CG2-CD2 3.76Å; W248-L471 HydrophobicContact CB-CB 4.04Å; W248-L471 HydrophobicContact CB-CD2 4.39Å; W248-L471 HydrophobicContact CE3-CB 4.29Å; W248-L471 HydrophobicContact CG-CB 4.46Å; L249-L471 WeakPolarHBondContact O-CA 3.37Å; L250-L471 HydrophobicContact CD1-CD2 3.65Å
472R77.9Confident64.6Low77.5 Ų77.569 Ų6929%0.29238%0.378SS..EExtended strand (participates in β ladder)trans-89.8127.1177.8-176.9174.6123.9121.21.5110.6K205 F213 W248 L249 E251 V474 F630K205-R472 HydrophobicContact CB-CB 4.27Å; K205-R472 HydrophobicContact CB-CG 4.4Å; K205-R472 HydrophobicContact CG-CG 4.36Å; K205-R472 CarbonylContact O-C 3.53Å; K205-R472 VanDerWaalsContact O-CA 3.29Å; K205-R472 WeakPolarHBondContact O-CA 3.38Å; F213-R472 HydrophobicContact CE1-CG 4.05Å; W248-R472 CarbonylContact C-O 3.58Å; W248-R472 VanDerWaalsContact CA-O 3.25Å; W248-R472 WeakPolarHBondContact CA-O 3.4Å; L249-R472 PolarHBondContact N-O 2.88Å; L249-R472 PolarHBondContact O-N 3.41Å; E251-R472 IonicContact OE1-CZ 2.9Å; E251-R472 VanDerWaalsContact OE1-CZ 3.31Å; E251-R472 IonicContact OE1-NE 3.59Å; E251-R472 PolarHBondContact OE1-NE 3.37Å; E251-R472 IonicContact OE1-NH2 3.11Å; E251-R472 PolarHBondContact OE1-NH2 2.85Å; E251-R472 IonicContact OE2-NE 3.28Å; E251-R472 PolarHBondContact OE2-NE 2.9Å; R472-V474 PolarHBondContact O-N 3.26Å; R472-F630 VanDerWaalsContact NH2-CD1 3.3Å
473L80.5Confident63.7Low51 Ų5169.9 Ų69.927%0.26739%0.39SS..EExtended strand (participates in β ladder)trans-68.2125.2175-175.565.1000109.6K205 V206 W248 W475K205-L473 PolarHBondContact O-N 3.25Å; V206-L473 HydrophobicContact CG1-CD2 4.01Å; W248-L473 HydrophobicContact CD2-CD1 4.01Å; W248-L473 HydrophobicContact CE3-CB 3.73Å; W248-L473 HydrophobicContact CE3-CD1 4.03Å; W248-L473 HydrophobicContact CH2-CB 4.23Å; W248-L473 HydrophobicContact CH2-CD1 3.99Å; W248-L473 HydrophobicContact CZ2-CD1 3.96Å; W248-L473 HydrophobicContact CZ3-CB 3.57Å; W248-L473 HydrophobicContact CZ3-CD1 4.03Å; W248-L473 HydrophobicContact CZ3-CG 4.31Å; L473-W475 WeakPolarHBondContact CD1-O 3.41Å
474V79.7Confident62.8Low40.5 Ų40.572.1 Ų72.125%0.24540%0.4CS..EExtended strand (participates in β ladder)trans-111.2-33.3178.1-166.30000111.5V247 L249 R472 V636 F637V247-V474 PolarHBondContact O-N 3.27Å; L249-V474 HydrophobicContact CB-CG2 3.46Å; L249-V474 VanDerWaalsContact CB-CG2 3.46Å; L249-V474 HydrophobicContact CD2-CG2 4.23Å; R472-V474 PolarHBondContact O-N 3.26Å; V474-V636 HydrophobicContact CG1-CB 3.77Å; V474-V636 VanDerWaalsContact CG1-CB 3.43Å; V474-V636 HydrophobicContact CG1-CG1 4.1Å; V474-V636 HydrophobicContact CG1-CG2 3.77Å; V474-V636 VanDerWaalsContact CG1-CG2 3.43Å; V474-F637 HydrophobicContact CB-CE2 4.02Å; V474-F637 HydrophobicContact CG1-CD2 4.11Å; V474-F637 HydrophobicContact CG1-CE2 3.56Å
475W83.8Confident61.6Low45.5 Ų45.572.7 Ų72.717%0.17241%0.406CS..EExtended strand (participates in β ladder)trans-151.3146.9178.2175.995.6000111.3H245 S246 V247 L473 E477 F601 L618 F637 L640H245-W475 HydrophobicContact CB-CZ3 4.18Å; S246-W475 CarbonylContact C-O 3.13Å; S246-W475 WeakPolarHBondContact CA-O 3.47Å; S246-W475 WeakPolarHBondContact CB-O 3.34Å; V247-W475 HydrophobicContact CB-CB 4.21Å; V247-W475 HydrophobicContact CB-CE3 4.29Å; V247-W475 HydrophobicContact CG2-CD2 4.42Å; V247-W475 HydrophobicContact CG2-CE3 3.64Å; V247-W475 HydrophobicContact CG2-CZ3 4.24Å; V247-W475 PolarHBondContact N-O 3.35Å; V247-W475 PolarHBondContact O-N 2.88Å; V247-W475 VanDerWaalsContact O-N 3.17Å; L473-W475 WeakPolarHBondContact CD1-O 3.41Å; W475-E477 HydrophobicContact CH2-CB 3.66Å; W475-E477 HydrophobicContact CH2-CG 4.3Å; W475-E477 HydrophobicContact CZ2-CB 4.28Å; W475-E477 HydrophobicContact CZ3-CB 4.18Å; W475-F601 AromaticContact CH2-CZ 3.86Å; W475-F601 HydrophobicContact CH2-CZ 4.16Å; W475-F601 HydrophobicContact CZ3-CE1 4.42Å; W475-F601 AromaticContact CZ3-CZ 3.9Å; W475-F601 HydrophobicContact CZ3-CZ 4.17Å; W475-L618 HydrophobicContact CD2-CD1 3.83Å; W475-L618 HydrophobicContact CD2-CD2 4.35Å; W475-L618 HydrophobicContact CE3-CD1 4.04Å; W475-L618 HydrophobicContact CG-CD1 4.31Å; W475-L618 HydrophobicContact CG-CD2 4.32Å; W475-L618 HydrophobicContact CH2-CD1 4.34Å; W475-L618 HydrophobicContact CZ2-CD1 4.16Å; W475-L618 HydrophobicContact CZ2-CD2 4.05Å; W475-L618 HydrophobicContact CZ3-CD1 4.28Å; W475-F637 HydrophobicContact CB-CD2 3.81Å; W475-F637 HydrophobicContact CB-CE2 4.1Å; W475-F637 HydrophobicContact CG-CD2 4.33Å; W475-L640 HydrophobicContact CH2-CD1 4.39Å; W475-L640 HydrophobicContact CH2-CD2 4.07Å; W475-L640 HydrophobicContact CZ2-CB 4.3Å; W475-L640 HydrophobicContact CZ2-CD1 4.18Å; W475-L640 HydrophobicContact CZ2-CD2 3.81Å; W475-L640 HydrophobicContact CZ2-CG 4.37Å
476S82.5Confident60.2Low53 Ų5373.8 Ų73.837%0.37142%0.416SS..EExtended strand (participates in β ladder)trans-139137.6171.859.70000110.4T478S476-T478 PolarHBondContact O-N 3.09Å; S476-T478 VanDerWaalsContact O-N 3.16Å
477E79.3Confident58.6Low21.5 Ų21.577.5 Ų77.510%0.144%0.436CS..  trans-57.4125172.2-168.5177.8-169.600109.3L244 H245 W475 S479 R611 Y642L244-E477 HydrophobicContact CB-CB 4.45Å; L244-E477 HydrophobicContact CD2-CB 4.2Å; L244-E477 HydrophobicContact CD2-CG 4.26Å; H245-E477 IonicContact CE1-OE2 2.8Å; H245-E477 IonicContact CG-OE2 3.21Å; H245-E477 PolarHBondContact N-OE2 3.39Å; H245-E477 VanDerWaalsContact N-OE2 3.07Å; H245-E477 IonicContact ND1-OE2 3.18Å; H245-E477 PolarHBondContact ND1-OE2 2.77Å; H245-E477 WeakPolarHBondContact O-CB 3.27Å; H245-E477 PolarHBondContact O-N 2.95Å; W475-E477 HydrophobicContact CH2-CB 3.66Å; W475-E477 HydrophobicContact CH2-CG 4.3Å; W475-E477 HydrophobicContact CZ2-CB 4.28Å; W475-E477 HydrophobicContact CZ3-CB 4.18Å; E477-S479 PolarHBondContact O-N 2.99Å; E477-R611 IonicContact OE1-NH1 3.86Å; E477-Y642 PolarHBondContact OE1-OH 3.16Å
478T74.1Confident56.8Low115.5 Ų115.584.3 Ų84.371%0.70947%0.472SS*.  trans-69.2131.9178.349.30000109.9S476 S480S476-T478 PolarHBondContact O-N 3.09Å; S476-T478 VanDerWaalsContact O-N 3.16Å; T478-S480 PolarHBondContact O-N 3.19Å
479S57.7Low54.9Low88.5 Ų88.588.9 Ų88.962%0.61950%0.499SS*.  trans-63.791.6168.2-3.20000109.4L244 E477 A481L244-S479 WeakPolarHBondContact CD1-OG 3.47Å; E477-S479 PolarHBondContact O-N 2.99Å; S479-A481 PolarHBondContact O-N 3.12Å
480S48.2Very low52.8Low106.5 Ų106.596 Ų9675%0.74554%0.535SS*.  trans-64.4102.3170.5-173.60000108.5T478 R482T478-S480 PolarHBondContact O-N 3.19Å; S480-R482 PolarHBondContact O-N 3.19Å
481A32.9Very low50.6Low81.5 Ų81.598.4 Ų98.467%0.67456%0.562SS**  trans-52.2121.4166.500000107.2S479 S483S479-A481 PolarHBondContact O-N 3.12Å; A481-S483 VanDerWaalsContact C-N 3.35Å; A481-S483 PolarHBondContact O-N 3.32Å
482R31.8Very low48.1Very low201.5 Ų201.5104.7 Ų104.776%0.7660%0.595SS**  trans-71.972-173-118.7178.5-179.7179.3-2.8110.4S480S480-R482 PolarHBondContact O-N 3.19Å
483S26.8Very low45.8Very low91 Ų91109.5 Ų109.564%0.63662%0.618SS**  trans-74.7123.9161.257.40000108.2A481 S485A481-S483 VanDerWaalsContact C-N 3.35Å; A481-S483 PolarHBondContact O-N 3.32Å; S483-S485 VanDerWaalsContact C-N 3.31Å; S483-S485 PolarHBondContact O-N 3.39Å; S483-S485 PolarHBondContact OG-OG 3.1Å; S483-S485 VanDerWaalsContact OG-OG 3.05Å
484H27.8Very low43.2Very low186 Ų186111.9 Ų111.986%0.86164%0.64SS**  trans-69.688.7162-75.4-96.4000107.7
485S26.9Very low40.6Very low83 Ų83114.9 Ų114.958%0.5866%0.662SS**  trans-114.7100.8162.354.70000107.9S483 L487S483-S485 VanDerWaalsContact C-N 3.31Å; S483-S485 PolarHBondContact O-N 3.39Å; S483-S485 PolarHBondContact OG-OG 3.1Å; S483-S485 VanDerWaalsContact OG-OG 3.05Å; S485-L487 PolarHBondContact O-N 2.88Å; S485-L487 VanDerWaalsContact O-N 3.08Å
486T27.2Very low37.9Very low121.5 Ų121.5119.4 Ų119.475%0.74569%0.689SS**  -1105.8118.952.90000109.9N488T486-N488 PolarHBondContact O-N 3.17Å; T486-N488 VanDerWaalsContact O-N 3.16Å
487L30.3Very low35.4Very low157.5 Ų157.5122.8 Ų122.883%0.82570%0.703SS**  trans-67.1111.7166.2-112.483.2000108.1S485S485-L487 PolarHBondContact O-N 2.88Å; S485-L487 VanDerWaalsContact O-N 3.08Å
488N29.5Very low33Very low147.5 Ų147.5127 Ų12779%0.78973%0.726SS**  trans-77.1115.1159-87-5.8000108.2T486T486-N488 PolarHBondContact O-N 3.17Å; T486-N488 VanDerWaalsContact O-N 3.16Å
489N29.3Very low30.8Very low152 Ų152129.6 Ų129.681%0.81373%0.73SS**  trans-75.1135.2153-87.8-9.2000108.5
490I30.3Very low29.5Very low168 Ų168129.9 Ų129.986%0.86273%0.732SS**  trans-116.9133.8162-75.4156.1000107.6
491G28.5Very low28.5Very low65.5 Ų65.5129 Ų12968%0.67573%0.726SS**  trans-129.8104.7-171.500000117.2
492L25.5Very low28.5Very low144.5 Ų144.5134.7 Ų134.776%0.75773%0.732SS**  trans46138.3143.1-73.8160.1000122.7
493F29Very low28.4Very low177.5 Ų177.5133.9 Ų133.978%0.77973%0.734SS**  trans93.2103.9155.7-60.2-64.3000121.4
494S25.4Very low28.6Very low102 Ų102137.3 Ų137.371%0.71374%0.737SS**  32.7131.1128.258.90000122.4
495S25.2Very low28.8Very low103 Ų103135.3 Ų135.372%0.7273%0.728SS**  123.4150.862.4132.90000116.8
496L28.2Very low28.8Very low140.5 Ų140.5137.9 Ų137.974%0.73674%0.735SS**  trans121.1117.9130.3-122.876.8000116.9
497N28.7Very low28.9Very low125 Ų125138.5 Ų138.567%0.66874%0.739SS**  trans86.9128.6134-766.1000125.8
498N30Very low28.9Very low110 Ų110134.4 Ų134.459%0.58873%0.734SS**  trans84.1112.1136.9-70.932.4000119.2
499E26.9Very low28.7Very low169 Ų169134.8 Ų134.879%0.7974%0.736SS**  84.6141.291.9-77.7179.7157.300112.3
500S30.9Very low28.6Very low95 Ų95137.3 Ų137.366%0.66474%0.74SS**  cis-166.9145.20.855.30000110.2
501S27.4Very low28.5Very low87.5 Ų87.5135.3 Ų135.361%0.61274%0.735SS**  76.9154.8120.778.20000120.7
502Y33Very low29Very low201.5 Ų201.5137.2 Ų137.279%0.7974%0.736SS**  trans124.7113.6155.5-69.3-72000112.7
503K30.2Very low29Very low184.5 Ų184.5140.4 Ų140.480%0.80274%0.74SS**  70.8132.869.6-65.8-174.3178.3177.50114
504K30.8Very low29Very low162.5 Ų162.5138.1 Ų138.171%0.70774%0.74SS**  cis-166.6150.929.3-121.3-178.5162.7-167.60109.9
505E30.8Very low29.1Very low144.5 Ų144.5138 Ų13868%0.67574%0.739SS**  64.4146.2121.8-77.3174.8179.600118.1
506N28.6Very low29.2Very low136.5 Ų136.5140.3 Ų140.373%0.7374%0.743SS**  cis-169.8159.1-16.2-132.1-5.9000111
507V28.4Very low29Very low135.5 Ų135.5141.4 Ų141.482%0.82175%0.749SS**  trans67.7127152.1-175.60000121
508G29.7Very low29.2Very low70 Ų70140.6 Ų140.672%0.72275%0.751SS**  trans165.393.3158.300000114.7F510G508-F510 PolarHBondContact O-N 2.87Å
509N26.3Very low29.2Very low156 Ų156140.2 Ų140.283%0.83476%0.763SS**  trans-59.8137.3174.9-64.8-30.2000113.2
510F27.3Very low29.2Very low205.5 Ų205.5137.6 Ų137.690%0.90176%0.763SS**  trans-162.9130.9136.6-107.5-73.3000112G508G508-F510 PolarHBondContact O-N 2.87Å
511V28.3Very low29Very low125 Ų125136.4 Ų136.476%0.75877%0.766SS**  trans-117.3143.9169.8176.30000107.1
512P37.4Very low29.1Very low106.5 Ų106.5142.3 Ų142.369%0.69278%0.775SS**  -118.9153.1-121.634.9-19.8000109.2
513Y27.1Very low29Very low211.5 Ų211.5140.2 Ų140.283%0.82977%0.77SS**  124.6131.2108-116.9-89.1000112.9S515Y513-S515 PolarHBondContact O-N 3.3Å; Y513-S515 PolarHBondContact O-OG 3.17Å
514V27.9Very low29Very low129.5 Ų129.5135.3 Ų135.379%0.78576%0.764SS**  trans-82.7121164.1177.20000110.9
515S28.1Very low29.1Very low100 Ų100134 Ų13470%0.69976%0.764SS**  trans-152.6140.215852.10000108.1Y513 L517Y513-S515 PolarHBondContact O-N 3.3Å; Y513-S515 PolarHBondContact O-OG 3.17Å; S515-L517 PolarHBondContact O-N 3.29Å
516D26.2Very low29.1Very low149.5 Ų149.5132.7 Ų132.780%0.79976%0.761SS**  -85.7147.4100.9-67.3-49.1000114.2
517L25.7Very low29.3Very low163.5 Ų163.5129.6 Ų129.686%0.85675%0.75SS**  trans-114.9164.9167.4-122.681.5000107.3S515 A519S515-L517 PolarHBondContact O-N 3.29Å; L517-A519 PolarHBondContact O-N 2.99Å
518P33Very low29.4Very low109 Ų109132.8 Ų132.871%0.70875%0.747SS**  -101.7149.6-100.433.1-23.8000111.8S520P518-S520 PolarHBondContact O-N 3Å
519A28.9Very low29.3Very low102.5 Ų102.5139.4 Ų139.485%0.84775%0.75SS**  trans-6.2118.1149.700000116.1L517L517-A519 PolarHBondContact O-N 2.99Å
520S26.7Very low29.3Very low113 Ų113138.4 Ų138.479%0.7974%0.744SS**  -128.4130.3-99.1174.60000111.7P518P518-S520 PolarHBondContact O-N 3Å
521G28.2Very low29.6Very low70.5 Ų70.5133.6 Ų133.673%0.72773%0.734SS**  trans95.3111.7154.100000117.7
522R29.2Very low29.5Very low211.5 Ų211.5135.2 Ų135.280%0.79874%0.738SS**  -154144.977.1-92.4-174.5-171.9-175.53.6109.8
523F30.2Very low29Very low158 Ų158137.4 Ų137.469%0.69374%0.743SS**SBendtrans78.3105.4178.6-51.2-69000117.7P209P209-F523 HydrophobicContact CG-CD2 4.35Å
524A29.8Very low29.1Very low81 Ų81133.1 Ų133.167%0.66974%0.741SS**  -14697.4-113.600000112.3
525L33Very low29.1Very low134.5 Ų134.5136.8 Ų136.870%0.70475%0.747SS**  trans-176.462.2174.5-68.6177.2000118.7
526L32.1Very low29Very low118.5 Ų118.5143.1 Ų143.162%0.6276%0.756SS**SBendtrans157.975.3155.9-62.3172.9000116.5V206 W248V206-L526 HydrophobicContact CG2-CD1 4.4Å; W248-L526 HydrophobicContact CH2-CD1 4.45Å
527S31Very low29.1Very low71 Ų71140.1 Ų140.150%0.49775%0.752SS.*  -149.4128.3-95.4-113.90000113.4G279G279-S527 PolarHBondContact O-OG 2.79Å
528R31Very low29.1Very low203 Ų203137.4 Ų137.477%0.76675%0.746SS**  trans-80.8125159.1-76.9-179.3-179.6-170.42113.5L530R528-L530 HydrophobicContact CB-CD1 4.34Å; R528-L530 HydrophobicContact CG-CD1 4.32Å
529R27.5Very low28.9Very low208 Ų208141.3 Ų141.379%0.78575%0.752SS**  -132.7136.876.5-102.6176.5-176.9177.1-1.2109.6
530L26.7Very low28.9Very low135 Ų135142 Ų14271%0.70775%0.746SS**  trans-83.6155.4164-90.397.2000110.1R528R528-L530 HydrophobicContact CB-CD1 4.34Å; R528-L530 HydrophobicContact CG-CD1 4.32Å
531P34Very low29Very low104.5 Ų104.5145.5 Ų145.568%0.67975%0.75SS**  -113.7162.355.135.3-20.6000111.4
532N25.6Very low29Very low158 Ų158147 Ų14785%0.84575%0.75SS**  trans57.6123.8155.8-64.9-16000119.5
533L27.9Very low28.9Very low154 Ų154145 Ų14581%0.80675%0.754SS**  trans-101.8144.4167-76.3162.2000110.8F535L533-F535 PolarHBondContact O-N 3.07Å
534P29.2Very low28.9Very low121.5 Ų121.5144.8 Ų144.879%0.78976%0.758SS**  trans-109.4152.6142.534.1-26.7000113.4R536P534-R536 PolarHBondContact O-N 3.36Å
535F27.1Very low28.9Very low206.5 Ų206.5145.5 Ų145.591%0.90676%0.758SS**  trans-58134.7165.9-84.1-90.2000111.6L533 A537L533-F535 PolarHBondContact O-N 3.07Å; F535-A537 PolarHBondContact O-N 3.26Å
536R25.9Very low28.8Very low232 Ų232146.1 Ų146.188%0.87576%0.762SS**  -125.4128.980169176.3-177.5-179.91.3109.4P534 S538P534-R536 PolarHBondContact O-N 3.36Å; R536-S538 PolarHBondContact O-N 3.24Å
537A28.4Very low28.6Very low87 Ų87146 Ų14672%0.71977%0.771SS**  trans7.3145.6164.300000115.2F535F535-A537 PolarHBondContact O-N 3.26Å
538S26.1Very low28.8Very low106.5 Ų106.5148.1 Ų148.175%0.74578%0.783SS**  -127.7133.1-114.357.80000111.2R536R536-S538 PolarHBondContact O-N 3.24Å
539K28.3Very low28.8Very low191.5 Ų191.5143.3 Ų143.383%0.83378%0.78SS**  trans145.3143.6161.3-71.4-174.6179.1-178.80109.3
540T29.8Very low29.1Very low116.5 Ų116.5138.5 Ų138.572%0.71578%0.775SS**  cis-161.5145.433.7-13.50000110.3
541E28.3Very low29.4Very low187.5 Ų187.5140.8 Ų140.888%0.87678%0.779SS**  trans-15.3143.2147.2-82.7165.3-167.200114.6
542S27.6Very low29.2Very low102 Ų102145 Ų14571%0.71379%0.787SS**  -119.5146-97.954.90000111.9
543L27.7Very low29.4Very low168.5 Ų168.5142.6 Ų142.688%0.88278%0.782SS**  trans-61.4139.3149.1-80.8163.5000114.8
544I29.2Very low29.5Very low154 Ų154144.9 Ų144.979%0.7979%0.786SS**  trans-121.2146.6133.3-76.9164.3000111.4
545S30.6Very low29.5Very low96 Ų96142.8 Ų142.867%0.67178%0.779SS**  trans-137.9140.1153.848.30000113.9
546N30.4Very low29.5Very low147.5 Ų147.5140.5 Ų140.579%0.78978%0.775SS**  107132.5113.6-70.9-23.2000117.4
547S28.5Very low29.7Very low116 Ų116140 Ų14081%0.81178%0.775SS**  -172.4136.7117.351.60000111.1
548P35.6Very low29.7Very low115.5 Ų115.5139.3 Ų139.375%0.7578%0.775SS**  trans-96.2155.8179.912.60.9000113.1
549S31.1Very low29.8Very low100.5 Ų100.5141.8 Ų141.870%0.70378%0.78SS**  109144100.786.60000111.4
550T33.1Very low29.8Very low109 Ų109139.8 Ų139.867%0.66978%0.778SS**  cis-169.6175.87.314.60000110.5
551K32.2Very low29.8Very low182 Ų182139.9 Ų139.979%0.79178%0.782SS**  trans86.6125.1155.7-64.2138-175.4168.70116.9
552K30Very low29.7Very low193.5 Ų193.5138.5 Ų138.584%0.84178%0.781SS**  cis133.2139.115.7-118.8-174.2-178.3-179.50113.7
553S29.4Very low29.8Very low108 Ų108139.2 Ų139.276%0.75579%0.786SS**  trans73.3146.9155.6610000117.4
554K30.9Very low29.7Very low201 Ų201136.9 Ų136.987%0.87478%0.784SS**  cis-158.916219-135.4175.1-176.3-177.20109.7
555A28.4Very low29.7Very low77.5 Ų77.5138.8 Ų138.864%0.6479%0.789SS**  trans-127.5148.5-135.400000110.3Y557A555-Y557 HydrophobicContact CB-CD2 4.47Å
556L28.9Very low29.5Very low159 Ų159138.7 Ų138.783%0.83279%0.794SS**  trans158.5120.2136.3-81.4167.5000109.6
557Y28.8Very low29.3Very low222 Ų222138.5 Ų138.587%0.87180%0.798SS**  57.312796.1-73.9-88.5000118.9A555A555-Y557 HydrophobicContact CB-CD2 4.47Å
558G29.7Very low29.4Very low70.5 Ų70.5137.7 Ų137.773%0.72779%0.792SS**  172.61367300000113.4
559N28.1Very low28.9Very low159.5 Ų159.5141.7 Ų141.785%0.85380%0.798SS**  trans-130.8154.4169.6-103.9-15.2000111.1
560L28.3Very low28.8Very low149.5 Ų149.5142.9 Ų142.978%0.78380%0.797SS**  142.6126.8-120.6-124.180.9000112
561C28.9Very low28.5Very low119 Ų119146.2 Ų146.280%0.80480%0.802SS**  trans-125146148.3-70.70000111.2
562N26.6Very low28.2Very low157.5 Ų157.5144.3 Ų144.384%0.84280%0.8SS**  trans-126.1123.6144.4-77.6-28.4000112.7
563S28.9Very low28.1Very low117 Ų117140.1 Ų140.182%0.81879%0.791SS**  -158131.1126.753.60000109.8Q565S563-Q565 PolarHBondContact O-N 3.46Å
564S25.6Very low28Very low120 Ų120141.5 Ų141.584%0.83979%0.788SS**  trans-112.2120.6174.950.60000110.4
565Q29.7Very low27.9Very low195 Ų195137.5 Ų137.591%0.91178%0.776SS**  trans-113.5136.1163.3-103.5-180-8.500109.3S563S563-Q565 PolarHBondContact O-N 3.46Å
566A27.2Very low28Very low94 Ų94138.4 Ų138.478%0.77778%0.775SS**  trans-93.4168.2-176.400000111S568A566-S568 PolarHBondContact O-N 3.39Å; A566-S568 VanDerWaalsContact O-N 3.11Å
567V26.2Very low28.4Very low141.5 Ų141.5139.3 Ų139.386%0.85878%0.775SS**  trans9.4114.6176.1-178.90000109.6K569V567-K569 PolarHBondContact O-N 3.26Å
568S28.7Very low28.8Very low100.5 Ų100.5136 Ų13670%0.70377%0.768SS**  -107.1140.381.642.60000110.5A566 D570A566-S568 PolarHBondContact O-N 3.39Å; A566-S568 VanDerWaalsContact O-N 3.11Å; S568-D570 PolarHBondContact O-N 3.32Å
569K26.4Very low29.6Very low198.5 Ų198.5139.1 Ų139.186%0.86376%0.761SS**  trans-69.6118.9167.3-69.2175.2177.1175.30109.6V567 K571V567-K569 PolarHBondContact O-N 3.26Å; K569-K571 VanDerWaalsContact C-N 3.28Å; K569-K571 PolarHBondContact O-N 3.41Å
570D27.8Very low30.6Very low126.5 Ų126.5136.2 Ų136.268%0.67675%0.753SS**  trans-108.6116155-118.3-12.7000110.3S568 N572S568-D570 PolarHBondContact O-N 3.32Å; D570-N572 VanDerWaalsContact C-N 3.28Å; D570-N572 PolarHBondContact O-N 2.88Å
571K27.4Very low32.1Very low178 Ų178130.4 Ų130.477%0.77473%0.729SS**  trans-31.179.8166-71.1160.8-174.91630113.7K569 V573K569-K571 VanDerWaalsContact C-N 3.28Å; K569-K571 PolarHBondContact O-N 3.41Å; K571-V573 PolarHBondContact O-N 2.77Å
572N26.3Very low33.8Very low142.5 Ų142.5126.2 Ų126.276%0.76270%0.701SS**  trans-82.598.2161.1-76-7.8000109.5D570 I574D570-N572 VanDerWaalsContact C-N 3.28Å; D570-N572 PolarHBondContact O-N 2.88Å; N572-I574 PolarHBondContact O-N 3.34Å
573V28Very low35.8Very low105.5 Ų105.5122.4 Ų122.464%0.63968%0.683SS**  trans-69118.5156.2175.30000106.1K571 L575K571-V573 PolarHBondContact O-N 2.77Å; V573-L575 PolarHBondContact O-N 3.15Å; V573-L575 VanDerWaalsContact O-N 3.15Å
574I28.1Very low37.8Very low136 Ų136121 Ų12170%0.69766%0.662SS**  trans-69.2101.1175.2-62.1172.8000107N572N572-I574 PolarHBondContact O-N 3.34Å
575L27.2Very low40Very low118 Ų118118.3 Ų118.362%0.61865%0.647SS**  trans-55.2136.9166.4-79.8151.4000108.3V573 Q577V573-L575 PolarHBondContact O-N 3.15Å; V573-L575 VanDerWaalsContact O-N 3.15Å; L575-Q577 PolarHBondContact O-N 3.09Å; L575-Q577 VanDerWaalsContact O-N 3.08Å
576P32.3Very low42.1Very low95.5 Ų95.5111 Ų11162%0.6262%0.618SS**  trans-56.8130.4172.924.8-32.1000108.6Q578P576-Q578 PolarHBondContact O-N 3.01Å
577Q35.8Very low44.9Very low179.5 Ų179.5106.8 Ų106.884%0.83958%0.583SS**  trans-51126.4176.3-75.3176.6-48.600109L575 K579L575-Q577 PolarHBondContact O-N 3.09Å; L575-Q577 VanDerWaalsContact O-N 3.08Å; Q577-K579 PolarHBondContact O-N 2.96Å
578Q38.2Very low48Very low153 Ų153101.4 Ų101.472%0.71555%0.548SS*.  trans-57.2113.4174.2-76.7178-30.600108.1P576 S580P576-Q578 PolarHBondContact O-N 3.01Å; Q578-S580 PolarHBondContact O-N 3.36Å
579K46.5Very low50.9Low134 Ų13498.3 Ų98.358%0.58352%0.524SS*.  trans-72.4104.5173.4-72.5-179.7178173.50107.6F46 D91 Q577 G581F46-K579 HydrophobicContact CB-CB 4.22Å; F46-K579 HydrophobicContact CD1-CB 4.04Å; F46-K579 HydrophobicContact CG-CB 4.14Å; D91-K579 IonicContact OD2-NZ 3.64Å; D91-K579 PolarHBondContact OD2-NZ 3.39Å; Q577-K579 PolarHBondContact O-N 2.96Å; K579-G581 PolarHBondContact O-N 3.4Å
580S49.4Very low53.9Low98.5 Ų98.588.9 Ų88.969%0.68948%0.483SS*.  trans-96103.7167.3670000109.6D45 Q578D45-S580 CarbonylContact O-C 3.58Å; D45-S580 VanDerWaalsContact O-CA 3.31Å; D45-S580 WeakPolarHBondContact O-CA 3.37Å; Q578-S580 PolarHBondContact O-N 3.36Å
581G59.7Low56.9Low28 Ų2884.3 Ų84.329%0.28946%0.46SS..EExtended strand (participates in β ladder)trans160.9173.8175.700000112.2D45 F46 W47 K579 V583D45-G581 PolarHBondContact O-N 2.92Å; F46-G581 WeakPolarHBondContact CA-O 3.14Å; F46-G581 VanDerWaalsContact CB-O 3.27Å; F46-G581 WeakPolarHBondContact CB-O 3.46Å; W47-G581 VanDerWaalsContact CZ3-CA 3.41Å; W47-G581 PolarHBondContact N-O 2.98Å; K579-G581 PolarHBondContact O-N 3.4Å; G581-V583 PolarHBondContact O-N 2.93Å
582P65Low59.8Low31.5 Ų31.575.9 Ų75.921%0.20542%0.423CS..EExtended strand (participates in β ladder)trans-63.9138.9-177.426.5-33.4000111.2W47 K584 C823 D824 A833 F853W47-P582 HydrophobicContact CD2-CB 4.33Å; W47-P582 VanDerWaalsContact CH2-CD 3.47Å; W47-P582 HydrophobicContact CH2-CG 4.37Å; W47-P582 HydrophobicContact CZ2-CB 3.78Å; W47-P582 VanDerWaalsContact CZ2-CD 3.46Å; W47-P582 HydrophobicContact CZ2-CG 3.87Å; P582-K584 PolarHBondContact O-N 3.3Å; P582-C823 HydrophobicContact CB-CB 4.03Å; P582-C823 VanDerWaalsContact CB-SG 3.54Å; P582-C823 HydrophobicContact CG-CB 3.99Å; P582-C823 WeakPolarHBondContact CG-SG 3.33Å; P582-D824 HydrophobicContact CB-CB 4.24Å; P582-D824 VanDerWaalsContact CB-OD1 3.25Å; P582-D824 WeakPolarHBondContact CB-OD1 3.36Å; P582-D824 VanDerWaalsContact CB-OD2 3.24Å; P582-D824 WeakPolarHBondContact CB-OD2 3.28Å; P582-A833 HydrophobicContact CG-CB 4.43Å; P582-F853 VanDerWaalsContact CD-CE1 3.42Å; P582-F853 HydrophobicContact CG-CD1 4.22Å; P582-F853 HydrophobicContact CG-CE1 4.19Å
583V67.1Low62.7Low78 Ų7870.1 Ų70.147%0.47339%0.392SS..  trans-74.3124.6-176.4179.60000109.1F46 W47 R48 G581 D824F46-V583 HydrophobicContact CB-CG2 4.11Å; F46-V583 HydrophobicContact CD2-CG2 3.58Å; F46-V583 HydrophobicContact CE2-CG2 4.46Å; F46-V583 HydrophobicContact CG-CG2 4.26Å; W47-V583 WeakPolarHBondContact O-CG2 3.36Å; W47-V583 PolarHBondContact O-N 3.07Å; R48-V583 HydrophobicContact CG-CB 3.75Å; R48-V583 HydrophobicContact CG-CG1 4.34Å; R48-V583 HydrophobicContact CG-CG2 3.9Å; G581-V583 PolarHBondContact O-N 2.93Å; V583-D824 PolarHBondContact N-OD1 3.39Å
584K70.5Confident65.4Low86 Ų8665.3 Ų65.337%0.37436%0.363SS..  trans-122.7120.3-175.2-177.1-179.1173.3-173.20111.3P582 S586 D647 L822 C823P582-K584 PolarHBondContact O-N 3.3Å; K584-S586 PolarHBondContact O-N 2.69Å; K584-D647 WeakPolarHBondContact CE-OD1 3.45Å; K584-D647 IonicContact NZ-OD1 3.27Å; K584-D647 PolarHBondContact NZ-OD1 3.41Å; K584-D647 IonicContact NZ-OD2 2.79Å; K584-D647 PolarHBondContact NZ-OD2 2.88Å; K584-L822 WeakPolarHBondContact CD-O 3.42Å; K584-L822 WeakPolarHBondContact CE-O 3.17Å; K584-C823 HydrophobicContact CB-CB 4.35Å
585A72.6Confident68.1Low63.5 Ų63.560.8 Ų60.853%0.52534%0.343SS..  trans-76.1123.8169.600000110.1A587A585-A587 VanDerWaalsContact C-N 3.28Å; A585-A587 WeakPolarHBondContact CB-O 3.43Å; A585-A587 PolarHBondContact O-N 2.7Å
586S74.1Confident70.9Confident43 Ų4355.5 Ų55.530%0.30132%0.315SS..SBendtrans-76.5-13.217637.70000113.7I226 K584 F601 L602I226-S586 WeakPolarHBondContact CG2-OG 3.5Å; I226-S586 PolarHBondContact O-OG 3.36Å; K584-S586 PolarHBondContact O-N 2.69Å; S586-F601 WeakPolarHBondContact O-CA 3.13Å; S586-L602 PolarHBondContact O-N 2.89Å; S586-L602 VanDerWaalsContact O-N 3.14Å
587A86.5Confident73.6Confident6 Ų651.6 Ų51.65%0.0529%0.291CS..EExtended strand (participates in β ladder)trans-141.4148.1171.700000110I236 A585 C600 F601I236-A587 HydrophobicContact CD1-CB 3.55Å; A585-A587 VanDerWaalsContact C-N 3.28Å; A585-A587 WeakPolarHBondContact CB-O 3.43Å; A585-A587 PolarHBondContact O-N 2.7Å; A587-C600 CarbonylContact C-O 3.57Å; A587-C600 VanDerWaalsContact CA-O 3.22Å; A587-C600 WeakPolarHBondContact CA-O 3.34Å; A587-C600 WeakPolarHBondContact CB-O 3.32Å; A587-F601 HydrophobicContact CB-CB 3.72Å
588F90.3Very high76.1Confident27 Ų2743.7 Ų43.712%0.11825%0.253CS..EExtended strand (participates in β ladder)trans-150155.6-17949.2-97.8000111.3A590 C600 L615 A648 Y650 T657F588-A590 HydrophobicContact CD2-CB 4.17Å; F588-A590 HydrophobicContact CE2-CB 4.2Å; F588-C600 HydrophobicContact CD2-CB 3.71Å; F588-C600 HydrophobicContact CE2-CB 3.33Å; F588-C600 HydrophobicContact CG-CB 4.47Å; F588-C600 HydrophobicContact CZ-CB 3.83Å; F588-C600 PolarHBondContact N-O 3.35Å; F588-C600 PolarHBondContact O-N 3.28Å; F588-L615 HydrophobicContact CE1-CD1 4.39Å; F588-L615 HydrophobicContact CZ-CD1 4.03Å; F588-L615 HydrophobicContact CZ-CD2 4.27Å; F588-A648 HydrophobicContact CE1-CB 4.29Å; F588-A648 HydrophobicContact CZ-CB 4.08Å; F588-Y650 VanDerWaalsContact CD2-CB 3.47Å; F588-Y650 HydrophobicContact CD2-CG 4.24Å; F588-Y650 VanDerWaalsContact CE2-CB 3.46Å; F588-Y650 HydrophobicContact CE2-CG 4.44Å; F588-T657 HydrophobicContact CE2-CG2 4.04Å; F588-T657 HydrophobicContact CZ-CG2 4.06Å
589L89.7Confident78.6Confident36.5 Ų36.536.5 Ų36.519%0.19122%0.219CC..EExtended strand (participates in β ladder)trans-88.1112.3167.8179.565.5000108I229 S231 L232 I620 Y650I229-L589 HydrophobicContact CG2-CB 3.9Å; I229-L589 HydrophobicContact CG2-CD2 4.35Å; S231-L589 WeakPolarHBondContact OG-CD2 3.23Å; L232-L589 HydrophobicContact CD1-CD1 4.08Å; L232-L589 HydrophobicContact CD1-CD2 4.35Å; L589-I620 HydrophobicContact CD1-CD1 3.55Å; L589-Y650 WeakPolarHBondContact O-CD1 3.23Å; L589-Y650 VanDerWaalsContact O-CE1 3.31Å; L589-Y650 WeakPolarHBondContact O-CE1 3.28Å
590A89.9Confident80.8Confident1 Ų130.1 Ų30.11%0.00819%0.192CC..EExtended strand (participates in β ladder)trans-96.5138.2172.500000109.7F588 W598 Y650F588-A590 HydrophobicContact CD2-CB 4.17Å; F588-A590 HydrophobicContact CE2-CB 4.2Å; A590-W598 HydrophobicContact CB-CB 4.4Å; A590-W598 PolarHBondContact N-O 3.12Å; A590-W598 PolarHBondContact O-N 2.93Å; A590-Y650 HydrophobicContact CB-CD1 4.46Å; A590-Y650 HydrophobicContact CB-CD2 3.57Å; A590-Y650 HydrophobicContact CB-CE2 3.87Å; A590-Y650 HydrophobicContact CB-CG 3.93Å
591V89.8Confident82.7Confident30 Ų3026.7 Ų26.718%0.18217%0.165CC..EExtended strand (participates in β ladder)trans-116.2132169.5-178.70000107.2T596 Y650 R655V591-T596 CarbonylContact C-O 3.35Å; V591-T596 VanDerWaalsContact CA-O 3.3Å; V591-T596 WeakPolarHBondContact CA-O 3.15Å; V591-Y650 VanDerWaalsContact N-CZ 3.28Å; V591-Y650 PolarHBondContact N-OH 3.03Å; V591-Y650 VanDerWaalsContact N-OH 3.1Å; V591-Y650 VanDerWaalsContact O-CE2 3.25Å; V591-Y650 WeakPolarHBondContact O-CE2 3.47Å; V591-Y650 PolarHBondContact O-OH 3.08Å; V591-Y650 VanDerWaalsContact O-OH 3.09Å; V591-R655 WeakPolarHBondContact O-CB 3.46Å
592D88.9Confident83.9Confident1.5 Ų1.526.8 Ų26.81%0.00816%0.159CC..  trans-80171.5179.478.612.6000112.5T594 S595 T596 R655 T670 L884D592-T594 PolarHBondContact O-N 3.04Å; D592-T594 VanDerWaalsContact OD1-CA 3.26Å; D592-T594 WeakPolarHBondContact OD1-CA 3.26Å; D592-T594 WeakPolarHBondContact OD1-CB 3.4Å; D592-T594 PolarHBondContact OD1-N 3.15Å; D592-T594 PolarHBondContact OD1-OG1 2.92Å; D592-T594 PolarHBondContact OD2-OG1 3Å; D592-S595 PolarHBondContact O-N 3.34Å; D592-S595 PolarHBondContact OD1-N 3.17Å; D592-T596 VanDerWaalsContact CG-OG1 3.25Å; D592-T596 PolarHBondContact N-O 3.16Å; D592-T596 PolarHBondContact OD1-N 3.22Å; D592-T596 PolarHBondContact OD1-OG1 2.95Å; D592-T596 PolarHBondContact OD2-OG1 3.48Å; D592-R655 VanDerWaalsContact O-CD 3.25Å; D592-R655 WeakPolarHBondContact O-CD 3.41Å; D592-T670 WeakPolarHBondContact CB-OG1 3.34Å; D592-L884 HydrophobicContact CB-CD2 4.43Å
593I87.2Confident84.6Confident20.5 Ų20.526.7 Ų26.711%0.10516%0.157CC..THydrogen-bonded Turntrans-59.5-33-178.9-59.3168.2000111.2S595 R655 T670 I675 I861 F887I593-S595 VanDerWaalsContact C-N 3.31Å; I593-S595 PolarHBondContact O-N 3.33Å; I593-R655 HydrophobicContact CG1-CB 4.39Å; I593-R655 PolarHBondContact O-NH1 2.94Å; I593-T670 HydrophobicContact CD1-CG2 4.2Å; I593-T670 WeakPolarHBondContact CG1-OG1 3.29Å; I593-T670 PolarHBondContact N-OG1 3.32Å; I593-T670 VanDerWaalsContact N-OG1 3.14Å; I593-I675 HydrophobicContact CD1-CD1 4.41Å; I593-I861 HydrophobicContact CG2-CD1 3.84Å; I593-F887 HydrophobicContact CG2-CB 4.15Å; I593-F887 HydrophobicContact CG2-CD2 3.68Å; I593-F887 HydrophobicContact CG2-CE2 4.43Å; I593-F887 HydrophobicContact CG2-CG 4.29Å
594T85.3Confident84.4Confident4.5 Ų4.525.3 Ų25.33%0.02816%0.159CC..THydrogen-bonded Turntrans-80.61.3176.345.40000115.1D592 N875 S883 L884 F887D592-T594 PolarHBondContact O-N 3.04Å; D592-T594 VanDerWaalsContact OD1-CA 3.26Å; D592-T594 WeakPolarHBondContact OD1-CA 3.26Å; D592-T594 WeakPolarHBondContact OD1-CB 3.4Å; D592-T594 PolarHBondContact OD1-N 3.15Å; D592-T594 PolarHBondContact OD1-OG1 2.92Å; D592-T594 PolarHBondContact OD2-OG1 3Å; T594-N875 WeakPolarHBondContact CG2-OD1 3.41Å; T594-S883 WeakPolarHBondContact CG2-OG 3.41Å; T594-L884 HydrophobicContact CG2-CB 4.4Å; T594-L884 HydrophobicContact CG2-CD2 3.94Å; T594-L884 HydrophobicContact CG2-CG 3.69Å; T594-L884 VanDerWaalsContact OG1-CD2 3.28Å; T594-L884 WeakPolarHBondContact OG1-CD2 3.4Å; T594-L884 WeakPolarHBondContact OG1-CG 3.27Å; T594-F887 HydrophobicContact CG2-CD2 4.23Å; T594-F887 HydrophobicContact CG2-CE2 4.25Å
595S84.9Confident83.5Confident41 Ų4125.8 Ų25.829%0.28717%0.169SC..  trans79.816.2179.4-75.50000116.8D592 I593 R655D592-S595 PolarHBondContact O-N 3.34Å; D592-S595 PolarHBondContact OD1-N 3.17Å; I593-S595 VanDerWaalsContact C-N 3.31Å; I593-S595 PolarHBondContact O-N 3.33Å; S595-R655 PolarHBondContact OG-NH1 3.46Å; S595-R655 PolarHBondContact OG-NH2 3.11Å
596T85.1Confident82.2Confident6 Ų625.5 Ų25.54%0.03716%0.163CC..  trans-81.9144.7172.282.40000111.6V591 D592 W598 E880V591-T596 CarbonylContact C-O 3.35Å; V591-T596 VanDerWaalsContact CA-O 3.3Å; V591-T596 WeakPolarHBondContact CA-O 3.15Å; D592-T596 VanDerWaalsContact CG-OG1 3.25Å; D592-T596 PolarHBondContact N-O 3.16Å; D592-T596 PolarHBondContact OD1-N 3.22Å; D592-T596 PolarHBondContact OD1-OG1 2.95Å; D592-T596 PolarHBondContact OD2-OG1 3.48Å; T596-W598 PolarHBondContact OG1-NE1 3.27Å; T596-E880 HydrophobicContact CG2-CG 4.07Å; T596-E880 WeakPolarHBondContact CG2-OE1 3.3Å
597S88.4Confident80.7Confident15 Ų1529.5 Ų29.511%0.10519%0.186CC..EExtended strand (participates in β ladder)trans-105135.3-170.9-62.90000112.7I620S597-I620 WeakPolarHBondContact O-CB 3.36Å; S597-I620 PolarHBondContact O-N 3.29Å
598W89.8Confident78.4Confident14 Ų1438.6 Ų38.65%0.05323%0.225CC..EExtended strand (participates in β ladder)trans-132.1128.2-174.6-60.281.7000111A590 T596 C617 L618 R619 I672A590-W598 HydrophobicContact CB-CB 4.4Å; A590-W598 PolarHBondContact N-O 3.12Å; A590-W598 PolarHBondContact O-N 2.93Å; T596-W598 PolarHBondContact OG1-NE1 3.27Å; W598-C617 HydrophobicContact CE3-CB 4.24Å; W598-L618 CarbonylContact C-O 3.5Å; W598-L618 WeakPolarHBondContact CA-O 3.27Å; W598-R619 HydrophobicContact CD2-CB 4.49Å; W598-R619 HydrophobicContact CE3-CB 3.93Å; W598-R619 HydrophobicContact CH2-CB 3.94Å; W598-R619 HydrophobicContact CH2-CG 4.19Å; W598-R619 HydrophobicContact CZ2-CB 4.46Å; W598-R619 HydrophobicContact CZ2-CG 4.32Å; W598-R619 HydrophobicContact CZ3-CB 3.63Å; W598-R619 HydrophobicContact CZ3-CG 4.33Å; W598-I672 HydrophobicContact CD2-CG2 4.43Å; W598-I672 HydrophobicContact CE3-CG2 3.94Å; W598-I672 HydrophobicContact CH2-CB 4.46Å; W598-I672 HydrophobicContact CH2-CD1 3.86Å; W598-I672 HydrophobicContact CH2-CG1 3.91Å; W598-I672 HydrophobicContact CH2-CG2 3.78Å; W598-I672 HydrophobicContact CZ2-CG1 4.23Å; W598-I672 HydrophobicContact CZ2-CG2 4.37Å; W598-I672 HydrophobicContact CZ3-CD1 4.42Å; W598-I672 HydrophobicContact CZ3-CG2 3.53Å
599V90.8Very high76.2Confident0 Ų040.4 Ų40.40%024%0.236CC..EExtended strand (participates in β ladder)trans-84.9116167.2171.30000108.4I229 L234 I236 F601 C617 L618 I620 F637I229-V599 HydrophobicContact CD1-CB 4.04Å; I229-V599 HydrophobicContact CD1-CG1 3.61Å; I229-V599 HydrophobicContact CD1-CG2 3.58Å; L234-V599 HydrophobicContact CD1-CG2 4.16Å; I236-V599 HydrophobicContact CD1-CG1 3.93Å; V599-F601 HydrophobicContact CG1-CD1 4.35Å; V599-C617 CarbonylContact O-C 3.48Å; V599-C617 WeakPolarHBondContact O-CA 3.46Å; V599-L618 HydrophobicContact CB-CB 4.27Å; V599-L618 PolarHBondContact N-O 3.22Å; V599-L618 PolarHBondContact O-N 3.16Å; V599-I620 HydrophobicContact CG2-CD1 3.76Å; V599-I620 HydrophobicContact CG2-CG1 3.97Å; V599-F637 HydrophobicContact CG2-CE1 4.15Å
600C91.8Very high74.2Confident1.5 Ų1.550.9 Ų50.91%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-115.8131.8-177.7-66.50000110.9A587 F588 L615 A616 C617A587-C600 CarbonylContact C-O 3.57Å; A587-C600 VanDerWaalsContact CA-O 3.22Å; A587-C600 WeakPolarHBondContact CA-O 3.34Å; A587-C600 WeakPolarHBondContact CB-O 3.32Å; F588-C600 HydrophobicContact CD2-CB 3.71Å; F588-C600 HydrophobicContact CE2-CB 3.33Å; F588-C600 HydrophobicContact CG-CB 4.47Å; F588-C600 HydrophobicContact CZ-CB 3.83Å; F588-C600 PolarHBondContact N-O 3.35Å; F588-C600 PolarHBondContact O-N 3.28Å; C600-L615 HydrophobicContact CB-CD1 4.08Å; C600-L615 HydrophobicContact CB-CD2 4.43Å; C600-L615 HydrophobicContact CB-CG 4.4Å; C600-A616 CarbonylContact C-O 3.54Å; C600-A616 WeakPolarHBondContact CA-O 3.39Å; C600-C617 VanDerWaalsContact SG-SG 3.67Å
601F89.2Confident72.4Confident26 Ų2658 Ų5811%0.11430%0.299CS..EExtended strand (participates in β ladder)trans-141.9141.4176.359.5-88000112.3I236 H245 W475 S586 A587 V599 T603 A616 L618 L640I236-F601 HydrophobicContact CD1-CB 4.41Å; I236-F601 HydrophobicContact CD1-CD1 4.33Å; I236-F601 HydrophobicContact CG2-CG 4.41Å; H245-F601 HydrophobicContact CB-CE2 3.69Å; H245-F601 HydrophobicContact CB-CZ 4.08Å; H245-F601 AromaticContact CD2-CD2 3.77Å; H245-F601 AromaticContact CD2-CE2 3.6Å; H245-F601 AromaticContact CG-CE2 3.54Å; W475-F601 AromaticContact CH2-CZ 3.86Å; W475-F601 HydrophobicContact CH2-CZ 4.16Å; W475-F601 HydrophobicContact CZ3-CE1 4.42Å; W475-F601 AromaticContact CZ3-CZ 3.9Å; W475-F601 HydrophobicContact CZ3-CZ 4.17Å; S586-F601 WeakPolarHBondContact O-CA 3.13Å; A587-F601 HydrophobicContact CB-CB 3.72Å; V599-F601 HydrophobicContact CG1-CD1 4.35Å; F601-T603 HydrophobicContact CD2-CG2 4.28Å; F601-T603 HydrophobicContact CE2-CG2 4.26Å; F601-T603 PolarHBondContact O-N 3.1Å; F601-A616 HydrophobicContact CD1-CB 4.21Å; F601-A616 HydrophobicContact CD2-CB 3.95Å; F601-A616 HydrophobicContact CE1-CB 3.95Å; F601-A616 HydrophobicContact CE2-CB 3.56Å; F601-A616 HydrophobicContact CG-CB 4.31Å; F601-A616 HydrophobicContact CZ-CB 3.56Å; F601-A616 PolarHBondContact N-O 3.32Å; F601-A616 WeakPolarHBondContact O-CB 3.46Å; F601-A616 PolarHBondContact O-N 3.11Å; F601-L618 HydrophobicContact CE1-CD1 3.96Å; F601-L640 HydrophobicContact CE1-CD1 4.29Å; F601-L640 HydrophobicContact CZ-CD1 4.27Å
602L84.9Confident71.1Confident30.3333 Ų30.333362.8 Ų62.816%0.15932%0.32CS..EExtended strand (participates in β ladder)trans-83.8122.1-178.3-135.3107.2000110.5S586 G604 L615 A645 A648S586-L602 PolarHBondContact O-N 2.89Å; S586-L602 VanDerWaalsContact O-N 3.14Å; L602-G604 PolarHBondContact O-N 3.05Å; L602-G604 VanDerWaalsContact O-N 3.14Å; L602-L615 HydrophobicContact CB-CD1 4.5Å; L602-L615 HydrophobicContact CD1-CB 4.46Å; L602-L615 HydrophobicContact CD1-CD1 4.3Å; L602-L615 HydrophobicContact CD2-CB 4.31Å; L602-L615 HydrophobicContact CD2-CD1 4.09Å; L602-L615 HydrophobicContact CG-CD1 4.24Å; L602-A645 HydrophobicContact CD1-CB 4.45Å; L602-A648 HydrophobicContact CD1-CB 4.2Å; L602-A648 HydrophobicContact CD2-CB 4.37Å
603T79Confident70.4Confident28.3333 Ų28.333363.5 Ų63.517%0.17433%0.325CS..EExtended strand (participates in β ladder)trans-7874.7-179.659.80000111.8F601 S613 R614 A616 Y642F601-T603 HydrophobicContact CD2-CG2 4.28Å; F601-T603 HydrophobicContact CE2-CG2 4.26Å; F601-T603 PolarHBondContact O-N 3.1Å; T603-S613 PolarHBondContact O-OG 3.16Å; T603-R614 WeakPolarHBondContact CB-O 3.39Å; T603-R614 PolarHBondContact N-O 3.19Å; T603-R614 PolarHBondContact OG1-N 2.95Å; T603-R614 VanDerWaalsContact OG1-N 3.08Å; T603-R614 PolarHBondContact OG1-O 2.95Å; T603-R614 VanDerWaalsContact OG1-O 3.14Å; T603-A616 HydrophobicContact CG2-CB 3.95Å; T603-Y642 HydrophobicContact CG2-CD1 4.46Å; T603-Y642 HydrophobicContact CG2-CE1 4.26Å
604G63.6Low70.3Confident49.6667 Ų49.666767.6 Ų67.651%0.51234%0.339SS..  trans-90.1126.4-17500000112.9L602 S606 S613L602-G604 PolarHBondContact O-N 3.05Å; L602-G604 VanDerWaalsContact O-N 3.14Å; G604-S606 PolarHBondContact O-N 2.56Å; G604-S613 PolarHBondContact O-OG 2.77Å
605T52.8Low70.4Confident95.6667 Ų95.666767.4 Ų67.459%0.58734%0.338SS*.  trans-92.390.2178.455.60000112.3R611T605-R611 VanDerWaalsContact CG2-O 3.22Å; T605-R611 WeakPolarHBondContact CG2-O 3.44Å
606S43.6Very low70.6Confident57.6667 Ų57.666765.4 Ų65.440%0.40332%0.324SS..  trans-90.4139.216670.20000110.6G604 F608 D609G604-S606 PolarHBondContact O-N 2.56Å; S606-F608 PolarHBondContact O-N 3.2Å; S606-D609 PolarHBondContact O-N 2.87Å; S606-D609 PolarHBondContact OG-N 2.81Å; S606-D609 PolarHBondContact OG-OD2 2.87Å
607V44.2Very low70.8Confident128.333 Ų128.33365.2 Ų65.278%0.77832%0.323SS*.THydrogen-bonded Turntrans-60.6-17.9-179.2178.90000113
608F38.1Very low70.8Confident197 Ų19765 Ų6586%0.86432%0.32SS*.THydrogen-bonded Turntrans-96.4-9.1-175.2-69.6-79.4000115.1S606S606-F608 PolarHBondContact O-N 3.2Å
609D43.9Very low70.6Confident64.6667 Ų64.666767.7 Ų67.735%0.34633%0.331SS..  trans-112122.8-178.4-122.5-36.6000110.3Y238 R243 S606 R611Y238-D609 PolarHBondContact OH-OD2 2.9Å; Y238-D609 VanDerWaalsContact OH-OD2 3.04Å; R243-D609 IonicContact CZ-OD2 3.61Å; R243-D609 IonicContact NE-OD2 3.67Å; R243-D609 IonicContact NH1-OD2 2.79Å; R243-D609 PolarHBondContact NH1-OD2 3.22Å; S606-D609 PolarHBondContact O-N 2.87Å; S606-D609 PolarHBondContact OG-N 2.81Å; S606-D609 PolarHBondContact OG-OD2 2.87Å; D609-R611 PolarHBondContact O-N 3.15Å; D609-R611 IonicContact OD2-NE 3.84Å
610R47.6Very low70.2Confident255.667 Ų255.66768.3 Ų68.397%0.96533%0.334SS*.  trans-68.815.3-177.2-69.7-174.6176.3-176.9-0.6114.4Q612R610-Q612 PolarHBondContact O-N 3.16Å
611R52.2Low69.2Low149.667 Ų149.66771 Ų7157%0.56535%0.348SS*.SBendtrans-76.3121.5178.2-69.6-173.6177.6-157.6-1.2109.7R243 E477 T605 D609 S613R243-R611 PolarHBondContact O-NH1 3.22Å; R243-R611 PolarHBondContact O-NH2 3.12Å; E477-R611 IonicContact OE1-NH1 3.86Å; T605-R611 VanDerWaalsContact CG2-O 3.22Å; T605-R611 WeakPolarHBondContact CG2-O 3.44Å; D609-R611 PolarHBondContact O-N 3.15Å; D609-R611 IonicContact OD2-NE 3.84Å; R611-S613 PolarHBondContact O-N 2.99Å
612Q62.3Low67.8Low131 Ų13171.3 Ų71.361%0.61235%0.351SS*.PPolyproline II helixtrans-57.3136.1166.9-69.5174-20.800109.6R610 R614R610-Q612 PolarHBondContact O-N 3.16Å; Q612-R614 PolarHBondContact O-N 3.15Å
613S74.1Confident66.3Low17.6667 Ų17.666777.7 Ų77.712%0.12438%0.377CS..PPolyproline II helixtrans-62.9145.2173.7-167.60000110.5T603 G604 R611 A645 C646T603-S613 PolarHBondContact O-OG 3.16Å; G604-S613 PolarHBondContact O-OG 2.77Å; R611-S613 PolarHBondContact O-N 2.99Å; S613-A645 CarbonylContact C-O 3.51Å; S613-A645 WeakPolarHBondContact CB-O 3.31Å; S613-A645 VanDerWaalsContact O-O 3.07Å; S613-A645 PolarHBondContact OG-O 3.14Å; S613-C646 PolarHBondContact OG-O 3.21Å; S613-C646 VanDerWaalsContact OG-O 3.08Å
614R84.1Confident64.9Low106 Ų10680.1 Ų80.140%0.438%0.384SS..EExtended strand (participates in β ladder)trans-141.6146.6-179.8-63.8-177.3-175.9-175.2-1.4109.2T603 Q612 A616 Y642 L643 A645T603-R614 WeakPolarHBondContact CB-O 3.39Å; T603-R614 PolarHBondContact N-O 3.19Å; T603-R614 PolarHBondContact OG1-N 2.95Å; T603-R614 VanDerWaalsContact OG1-N 3.08Å; T603-R614 PolarHBondContact OG1-O 2.95Å; T603-R614 VanDerWaalsContact OG1-O 3.14Å; Q612-R614 PolarHBondContact O-N 3.15Å; R614-A616 PolarHBondContact O-N 2.85Å; R614-Y642 HydrophobicContact CB-CD1 4.42Å; R614-L643 CarbonylContact C-O 3.27Å; R614-L643 VanDerWaalsContact CA-O 3.24Å; R614-L643 WeakPolarHBondContact CA-O 3.41Å; R614-L643 VanDerWaalsContact CB-O 3.29Å; R614-L643 WeakPolarHBondContact CB-O 3.34Å; R614-A645 PolarHBondContact N-O 3.18Å
615L88.1Confident64.3Low0 Ų081.3 Ų81.30%038%0.378CS..EExtended strand (participates in β ladder)trans-85.8113.9168.4-173.968.4000108.3F588 C600 L602 Y642 L643 A645 A648 T657F588-L615 HydrophobicContact CE1-CD1 4.39Å; F588-L615 HydrophobicContact CZ-CD1 4.03Å; F588-L615 HydrophobicContact CZ-CD2 4.27Å; C600-L615 HydrophobicContact CB-CD1 4.08Å; C600-L615 HydrophobicContact CB-CD2 4.43Å; C600-L615 HydrophobicContact CB-CG 4.4Å; L602-L615 HydrophobicContact CB-CD1 4.5Å; L602-L615 HydrophobicContact CD1-CB 4.46Å; L602-L615 HydrophobicContact CD1-CD1 4.3Å; L602-L615 HydrophobicContact CD2-CB 4.31Å; L602-L615 HydrophobicContact CD2-CD1 4.09Å; L602-L615 HydrophobicContact CG-CD1 4.24Å; L615-Y642 WeakPolarHBondContact O-CA 3.3Å; L615-L643 HydrophobicContact CB-CB 4.36Å; L615-L643 HydrophobicContact CD2-CD1 4.35Å; L615-L643 PolarHBondContact N-O 2.93Å; L615-L643 PolarHBondContact O-N 2.98Å; L615-A645 HydrophobicContact CB-CB 4.08Å; L615-A648 HydrophobicContact CB-CB 4.49Å; L615-A648 HydrophobicContact CD1-CB 3.83Å; L615-A648 HydrophobicContact CD2-CB 3.78Å; L615-A648 HydrophobicContact CG-CB 4.26Å; L615-T657 HydrophobicContact CD2-CG2 3.88Å
616A88.8Confident63.8Low0 Ų080.1 Ų80.10%037%0.368CS..EExtended strand (participates in β ladder)trans-84.7127.5171.700000108.9C600 F601 T603 R614 L640 Y642C600-A616 CarbonylContact C-O 3.54Å; C600-A616 WeakPolarHBondContact CA-O 3.39Å; F601-A616 HydrophobicContact CD1-CB 4.21Å; F601-A616 HydrophobicContact CD2-CB 3.95Å; F601-A616 HydrophobicContact CE1-CB 3.95Å; F601-A616 HydrophobicContact CE2-CB 3.56Å; F601-A616 HydrophobicContact CG-CB 4.31Å; F601-A616 HydrophobicContact CZ-CB 3.56Å; F601-A616 PolarHBondContact N-O 3.32Å; F601-A616 WeakPolarHBondContact O-CB 3.46Å; F601-A616 PolarHBondContact O-N 3.11Å; T603-A616 HydrophobicContact CG2-CB 3.95Å; R614-A616 PolarHBondContact O-N 2.85Å; A616-L640 HydrophobicContact CB-CD1 4.1Å; A616-L640 HydrophobicContact CB-CD2 4.45Å; A616-L640 HydrophobicContact CB-CG 4.44Å; A616-Y642 HydrophobicContact CB-CD1 3.95Å; A616-Y642 HydrophobicContact CB-CE1 3.89Å
617C90Very high63.6Low1 Ų181.1 Ų81.11%0.00737%0.374CS..EExtended strand (participates in β ladder)trans-122.8119.5-176.9-55.40000109.1W598 V599 C600 V641 I672W598-C617 HydrophobicContact CE3-CB 4.24Å; V599-C617 CarbonylContact O-C 3.48Å; V599-C617 WeakPolarHBondContact O-CA 3.46Å; C600-C617 VanDerWaalsContact SG-SG 3.67Å; C617-V641 PolarHBondContact N-O 3.04Å; C617-V641 PolarHBondContact O-N 3.13Å; C617-I672 HydrophobicContact CB-CG2 4.17Å
618L88.2Confident63.5Low11 Ų1181.6 Ų81.66%0.05837%0.366CS..EExtended strand (participates in β ladder)trans-112.2120.8-179.4-145.7100.1000109.2V247 W475 W598 V599 F601 I620 F637 G638 L640V247-L618 HydrophobicContact CG2-CD1 4.2Å; W475-L618 HydrophobicContact CD2-CD1 3.83Å; W475-L618 HydrophobicContact CD2-CD2 4.35Å; W475-L618 HydrophobicContact CE3-CD1 4.04Å; W475-L618 HydrophobicContact CG-CD1 4.31Å; W475-L618 HydrophobicContact CG-CD2 4.32Å; W475-L618 HydrophobicContact CH2-CD1 4.34Å; W475-L618 HydrophobicContact CZ2-CD1 4.16Å; W475-L618 HydrophobicContact CZ2-CD2 4.05Å; W475-L618 HydrophobicContact CZ3-CD1 4.28Å; W598-L618 CarbonylContact C-O 3.5Å; W598-L618 WeakPolarHBondContact CA-O 3.27Å; V599-L618 HydrophobicContact CB-CB 4.27Å; V599-L618 PolarHBondContact N-O 3.22Å; V599-L618 PolarHBondContact O-N 3.16Å; F601-L618 HydrophobicContact CE1-CD1 3.96Å; L618-I620 PolarHBondContact O-N 2.95Å; L618-F637 HydrophobicContact CB-CD1 4.19Å; L618-F637 HydrophobicContact CD1-CB 4.06Å; L618-F637 HydrophobicContact CD2-CB 4.11Å; L618-F637 HydrophobicContact CD2-CD1 3.52Å; L618-F637 VanDerWaalsContact CD2-CD1 3.5Å; L618-F637 HydrophobicContact CD2-CD2 4.12Å; L618-F637 HydrophobicContact CD2-CE1 4.07Å; L618-F637 HydrophobicContact CD2-CG 3.69Å; L618-F637 HydrophobicContact CD2-CZ 4.5Å; L618-F637 HydrophobicContact CG-CB 4Å; L618-F637 HydrophobicContact CG-CD1 4.05Å; L618-F637 HydrophobicContact CG-CG 4.23Å; L618-G638 VanDerWaalsContact CD1-O 3.27Å; L618-G638 WeakPolarHBondContact CD1-O 3.39Å; L618-L640 HydrophobicContact CB-CD1 3.9Å; L618-L640 HydrophobicContact CD1-CB 4.15Å; L618-L640 HydrophobicContact CD1-CD1 3.93Å; L618-L640 HydrophobicContact CD2-CB 3.8Å; L618-L640 HydrophobicContact CD2-CD1 3.62Å; L618-L640 HydrophobicContact CD2-CG 4.3Å; L618-L640 HydrophobicContact CG-CD1 4.06Å
619R86.1Confident63.5Low70.6667 Ų70.666779.1 Ų79.127%0.26736%0.357SS..EExtended strand (participates in β ladder)trans-70.5129.9177.4-168.5175.1178.5159.95.7110.1W598 F637 G638 E880W598-R619 HydrophobicContact CD2-CB 4.49Å; W598-R619 HydrophobicContact CE3-CB 3.93Å; W598-R619 HydrophobicContact CH2-CB 3.94Å; W598-R619 HydrophobicContact CH2-CG 4.19Å; W598-R619 HydrophobicContact CZ2-CB 4.46Å; W598-R619 HydrophobicContact CZ2-CG 4.32Å; W598-R619 HydrophobicContact CZ3-CB 3.63Å; W598-R619 HydrophobicContact CZ3-CG 4.33Å; R619-F637 CarbonylContact O-C 3.55Å; R619-F637 WeakPolarHBondContact O-CA 3.39Å; R619-G638 PolarHBondContact O-N 2.96Å; R619-E880 IonicContact CZ-OE1 3.12Å; R619-E880 VanDerWaalsContact CZ-OE1 3.26Å; R619-E880 IonicContact CZ-OE2 3.8Å; R619-E880 IonicContact NH1-OE1 3.35Å; R619-E880 PolarHBondContact NH1-OE1 3.15Å; R619-E880 IonicContact NH1-OE2 2.76Å; R619-E880 VanDerWaalsContact NH2-CD 3.29Å; R619-E880 IonicContact NH2-OE1 3.66Å; R619-E880 PolarHBondContact NH2-OE1 3.05Å; R619-E880 IonicContact NH2-OE2 3.01Å; R619-E880 PolarHBondContact NH2-OE2 3.27Å
620I81.2Confident63.2Low12 Ų1281.9 Ų81.96%0.06237%0.366CS..EExtended strand (participates in β ladder)trans-87136.6168.5-55.5167.1000108.1L232 L589 S597 V599 L618 D622 Y624 L625 F637L232-I620 HydrophobicContact CD1-CD1 3.46Å; L232-I620 VanDerWaalsContact CD1-CD1 3.46Å; L589-I620 HydrophobicContact CD1-CD1 3.55Å; S597-I620 WeakPolarHBondContact O-CB 3.36Å; S597-I620 PolarHBondContact O-N 3.29Å; V599-I620 HydrophobicContact CG2-CD1 3.76Å; V599-I620 HydrophobicContact CG2-CG1 3.97Å; L618-I620 PolarHBondContact O-N 2.95Å; I620-D622 PolarHBondContact O-N 3.34Å; I620-Y624 HydrophobicContact CG2-CD1 3.95Å; I620-L625 HydrophobicContact CB-CD1 4.18Å; I620-L625 HydrophobicContact CG2-CD1 3.78Å; I620-F637 HydrophobicContact CG1-CD1 4.32Å; I620-F637 HydrophobicContact CG1-CE1 4.15Å
621N71.1Confident62.7Low58.3333 Ų58.333376.4 Ų76.431%0.31236%0.356SS..  trans-83.4117.2170-75.2-36.2000109.6K623 Y624 L625 T635 V636N621-K623 PolarHBondContact O-N 3.23Å; N621-K623 VanDerWaalsContact O-N 3.14Å; N621-Y624 WeakPolarHBondContact O-CA 3.28Å; N621-Y624 WeakPolarHBondContact O-CB 3.1Å; N621-Y624 PolarHBondContact O-N 3.07Å; N621-Y624 VanDerWaalsContact O-N 3.17Å; N621-L625 PolarHBondContact O-N 2.84Å; N621-T635 PolarHBondContact ND2-O 3.41Å; N621-V636 PolarHBondContact N-O 3.36Å; N621-V636 VanDerWaalsContact N-O 3.1Å; N621-V636 PolarHBondContact ND2-O 3.43Å; N621-V636 VanDerWaalsContact ND2-O 3.08Å
622D60.2Low62Low33 Ų3376.7 Ų76.718%0.17637%0.369CS..Hα-helixtrans-50.8-26.2-175.7-63.7-19.9000114.9I620 Y624 L625 D626 S1215I620-D622 PolarHBondContact O-N 3.34Å; D622-Y624 PolarHBondContact O-N 3.15Å; D622-L625 PolarHBondContact O-N 3.13Å; D622-L625 VanDerWaalsContact O-N 3.16Å; D622-D626 PolarHBondContact O-N 2.89Å; D622-D626 VanDerWaalsContact O-N 3.09Å; D622-S1215 WeakPolarHBondContact CB-OG 3.3Å; D622-S1215 PolarHBondContact OD2-OG 3.48Å
623K53.3Low61Low165 Ų16575.2 Ų75.272%0.71737%0.373SS*.Hα-helixtrans-56.3-21175.8-66.5-172.5178.3-176.90114.2N621 D626 C627N621-K623 PolarHBondContact O-N 3.23Å; N621-K623 VanDerWaalsContact O-N 3.14Å; K623-D626 PolarHBondContact O-N 3.14Å; K623-C627 WeakPolarHBondContact O-CB 3.26Å; K623-C627 PolarHBondContact O-N 2.91Å; K623-C627 PolarHBondContact O-SG 2.76Å
624Y49.7Very low59.6Low78 Ų7882.4 Ų82.431%0.30641%0.405SS..Hα-helixtrans-92.7-19-178.3-142.5-94.2000113.9L249 I620 N621 D622 D626 V636L249-Y624 WeakPolarHBondContact CD1-OH 3.47Å; L249-Y624 VanDerWaalsContact CD2-OH 3.28Å; L249-Y624 WeakPolarHBondContact CD2-OH 3.23Å; I620-Y624 HydrophobicContact CG2-CD1 3.95Å; N621-Y624 WeakPolarHBondContact O-CA 3.28Å; N621-Y624 WeakPolarHBondContact O-CB 3.1Å; N621-Y624 PolarHBondContact O-N 3.07Å; N621-Y624 VanDerWaalsContact O-N 3.17Å; D622-Y624 PolarHBondContact O-N 3.15Å; Y624-D626 PolarHBondContact O-N 3.33Å; Y624-V636 HydrophobicContact CD1-CG1 3.7Å; Y624-V636 HydrophobicContact CD2-CB 4.08Å; Y624-V636 HydrophobicContact CD2-CG1 3.92Å; Y624-V636 HydrophobicContact CD2-CG2 3.63Å; Y624-V636 HydrophobicContact CE1-CG1 3.71Å; Y624-V636 HydrophobicContact CE2-CB 4.23Å; Y624-V636 HydrophobicContact CE2-CG1 3.64Å; Y624-V636 HydrophobicContact CE2-CG2 3.6Å; Y624-V636 HydrophobicContact CG-CB 4.4Å; Y624-V636 HydrophobicContact CG-CG1 3.9Å; Y624-V636 HydrophobicContact CG-CG2 4.42Å
625L50.8Low58.2Low74.3333 Ų74.333382.2 Ų82.239%0.38942%0.415SS..Hα-helixtrans-70.3-36.5176.6-90.786.9000112.2I620 N621 D622 C627I620-L625 HydrophobicContact CB-CD1 4.18Å; I620-L625 HydrophobicContact CG2-CD1 3.78Å; N621-L625 PolarHBondContact O-N 2.84Å; D622-L625 PolarHBondContact O-N 3.13Å; D622-L625 VanDerWaalsContact O-N 3.16Å; L625-C627 VanDerWaalsContact C-N 3.35Å
626D42.4Very low56.8Low71.6667 Ų71.666784.5 Ų84.538%0.38343%0.429SS..Hα-helixtrans-84.7-18.8-173.4-72.5-18000114.6D622 K623 Y624 K628 G1217 S1218D622-D626 PolarHBondContact O-N 2.89Å; D622-D626 VanDerWaalsContact O-N 3.09Å; K623-D626 PolarHBondContact O-N 3.14Å; Y624-D626 PolarHBondContact O-N 3.33Å; D626-K628 PolarHBondContact O-N 3.09Å; D626-G1217 WeakPolarHBondContact OD1-CA 3.49Å; D626-G1217 WeakPolarHBondContact OD2-CA 3.3Å; D626-S1218 PolarHBondContact OD1-N 2.88Å; D626-S1218 PolarHBondContact OD2-N 2.95Å
627C38.7Very low55.9Low78.3333 Ų78.333386.9 Ų86.953%0.52944%0.44SS..  trans-97.182.9-173.3-66.20000111.6K623 L625 Q629K623-C627 WeakPolarHBondContact O-CB 3.26Å; K623-C627 PolarHBondContact O-N 2.91Å; K623-C627 PolarHBondContact O-SG 2.76Å; L625-C627 VanDerWaalsContact C-N 3.35Å; C627-Q629 PolarHBondContact O-N 3.13Å
628K43.2Very low55.1Low138.667 Ų138.66788 Ų8860%0.60345%0.451SS*.  trans-67.814.1171.7-69.7-177179.4172.80114.3Y111 D626 F630Y111-K628 HydrophobicContact CD1-CD 4.34Å; Y111-K628 HydrophobicContact CE1-CD 4.1Å; D626-K628 PolarHBondContact O-N 3.09Å; K628-F630 PolarHBondContact O-N 3.19Å
629Q37.9Very low54.5Low144 Ų14494.2 Ų94.267%0.67348%0.484SS*.  trans-108.3115.4175.3-74.8-173.5-17.800110.9C627 N631C627-Q629 PolarHBondContact O-N 3.13Å; Q629-N631 PolarHBondContact O-N 2.78Å
630F37.8Very low54.4Low124 Ų12493.3 Ų93.354%0.54448%0.484SS..  trans-77.190.7179.7-84-84.4000112.5Y111 L249 E251 L449 R472 K628Y111-F630 HydrophobicContact CE2-CE2 4.08Å; Y111-F630 HydrophobicContact CE2-CZ 4.18Å; L249-F630 HydrophobicContact CD1-CZ 4.36Å; L249-F630 HydrophobicContact CD2-CD1 4.06Å; L249-F630 HydrophobicContact CD2-CE1 3Å; L249-F630 HydrophobicContact CD2-CZ 3.33Å; L249-F630 HydrophobicContact CG-CE1 4.15Å; L249-F630 HydrophobicContact CG-CZ 4.06Å; E251-F630 HydrophobicContact CG-CE2 4.35Å; E251-F630 HydrophobicContact CG-CZ 4.41Å; E251-F630 VanDerWaalsContact OE1-CD1 3.25Å; E251-F630 WeakPolarHBondContact OE1-CD1 3.33Å; E251-F630 WeakPolarHBondContact OE1-CE1 3.45Å; L449-F630 HydrophobicContact CD1-CD2 4.17Å; L449-F630 HydrophobicContact CD1-CE2 3.49Å; L449-F630 VanDerWaalsContact CD1-CE2 3.49Å; L449-F630 HydrophobicContact CD1-CZ 4.15Å; R472-F630 VanDerWaalsContact NH2-CD1 3.3Å; K628-F630 PolarHBondContact O-N 3.19Å
631N36.1Very low54.7Low140 Ų14095 Ų9575%0.74950%0.495SS*.  trans-147.5108.8148.5-80.6-15.8000111.8Q629 S633Q629-N631 PolarHBondContact O-N 2.78Å; N631-S633 PolarHBondContact O-N 3.2Å
632D37.6Very low55.4Low155 Ų15597.1 Ų97.183%0.82950%0.5SS*.  trans3379.6165.9-68.8-22.7000117.7Q634D632-Q634 PolarHBondContact O-N 2.76Å
633S41.2Very low56.7Low100.333 Ų100.33396.4 Ų96.470%0.70250%0.496SS*.  trans-111.985.8162.668.40000112.5N631 T635N631-S633 PolarHBondContact O-N 3.2Å; S633-T635 PolarHBondContact O-N 3.5Å
634Q46.2Very low58.1Low169 Ų16996 Ų9679%0.7949%0.489SS*.  trans-74.6117.9174.9-71.8-176.8-4.900110.8D632 V636D632-Q634 PolarHBondContact O-N 2.76Å; Q634-V636 PolarHBondContact O-N 3.32Å; Q634-V636 VanDerWaalsContact O-N 3.11Å
635T53.3Low59.8Low101.667 Ų101.66792.3 Ų92.362%0.62448%0.475SS*.  trans-90.394.4173.834.40000110.7N621 S633 F637N621-T635 PolarHBondContact ND2-O 3.41Å; S633-T635 PolarHBondContact O-N 3.5Å; T635-F637 VanDerWaalsContact O-CD2 3.27Å; T635-F637 WeakPolarHBondContact O-CD2 3.31Å; T635-F637 PolarHBondContact O-N 3.24Å; T635-F637 WeakPolarHBondContact OG1-CE2 3.32Å; T635-F637 WeakPolarHBondContact OG1-CZ 3.43Å
636V59.6Low61.3Low48.6667 Ų48.666791.7 Ų91.730%0.29548%0.476SS..  trans-72.9-0.1-177.8179.80000111.7V474 N621 Y624 Q634V474-V636 HydrophobicContact CG1-CB 3.77Å; V474-V636 VanDerWaalsContact CG1-CB 3.43Å; V474-V636 HydrophobicContact CG1-CG1 4.1Å; V474-V636 HydrophobicContact CG1-CG2 3.77Å; V474-V636 VanDerWaalsContact CG1-CG2 3.43Å; N621-V636 PolarHBondContact N-O 3.36Å; N621-V636 VanDerWaalsContact N-O 3.1Å; N621-V636 PolarHBondContact ND2-O 3.43Å; N621-V636 VanDerWaalsContact ND2-O 3.08Å; Y624-V636 HydrophobicContact CD1-CG1 3.7Å; Y624-V636 HydrophobicContact CD2-CB 4.08Å; Y624-V636 HydrophobicContact CD2-CG1 3.92Å; Y624-V636 HydrophobicContact CD2-CG2 3.63Å; Y624-V636 HydrophobicContact CE1-CG1 3.71Å; Y624-V636 HydrophobicContact CE2-CB 4.23Å; Y624-V636 HydrophobicContact CE2-CG1 3.64Å; Y624-V636 HydrophobicContact CE2-CG2 3.6Å; Y624-V636 HydrophobicContact CG-CB 4.4Å; Y624-V636 HydrophobicContact CG-CG1 3.9Å; Y624-V636 HydrophobicContact CG-CG2 4.42Å; Q634-V636 PolarHBondContact O-N 3.32Å; Q634-V636 VanDerWaalsContact O-N 3.11Å
637F69.6Low63.3Low50.6667 Ų50.666788.6 Ų88.622%0.22246%0.46CS..EExtended strand (participates in β ladder)trans-100.2145.9179.2-59.4-75000111.1L234 V247 V474 W475 V599 L618 R619 I620 T635L234-F637 HydrophobicContact CD1-CE1 4.22Å; L234-F637 HydrophobicContact CD1-CZ 3.85Å; L234-F637 HydrophobicContact CD2-CZ 4.33Å; V247-F637 HydrophobicContact CB-CE2 4.33Å; V247-F637 HydrophobicContact CG1-CE2 3.96Å; V247-F637 HydrophobicContact CG1-CZ 3.78Å; V474-F637 HydrophobicContact CB-CE2 4.02Å; V474-F637 HydrophobicContact CG1-CD2 4.11Å; V474-F637 HydrophobicContact CG1-CE2 3.56Å; W475-F637 HydrophobicContact CB-CD2 3.81Å; W475-F637 HydrophobicContact CB-CE2 4.1Å; W475-F637 HydrophobicContact CG-CD2 4.33Å; V599-F637 HydrophobicContact CG2-CE1 4.15Å; L618-F637 HydrophobicContact CB-CD1 4.19Å; L618-F637 HydrophobicContact CD1-CB 4.06Å; L618-F637 HydrophobicContact CD2-CB 4.11Å; L618-F637 HydrophobicContact CD2-CD1 3.52Å; L618-F637 VanDerWaalsContact CD2-CD1 3.5Å; L618-F637 HydrophobicContact CD2-CD2 4.12Å; L618-F637 HydrophobicContact CD2-CE1 4.07Å; L618-F637 HydrophobicContact CD2-CG 3.69Å; L618-F637 HydrophobicContact CD2-CZ 4.5Å; L618-F637 HydrophobicContact CG-CB 4Å; L618-F637 HydrophobicContact CG-CD1 4.05Å; L618-F637 HydrophobicContact CG-CG 4.23Å; R619-F637 CarbonylContact O-C 3.55Å; R619-F637 WeakPolarHBondContact O-CA 3.39Å; I620-F637 HydrophobicContact CG1-CD1 4.32Å; I620-F637 HydrophobicContact CG1-CE1 4.15Å; T635-F637 VanDerWaalsContact O-CD2 3.27Å; T635-F637 WeakPolarHBondContact O-CD2 3.31Å; T635-F637 PolarHBondContact O-N 3.24Å; T635-F637 WeakPolarHBondContact OG1-CE2 3.32Å; T635-F637 WeakPolarHBondContact OG1-CZ 3.43Å
638G72.2Confident65.7Low22.6667 Ų22.666785.1 Ų85.123%0.23444%0.437CS..EExtended strand (participates in β ladder)trans-83.1-166.5168.800000112.5L618 R619L618-G638 VanDerWaalsContact CD1-O 3.27Å; L618-G638 WeakPolarHBondContact CD1-O 3.39Å; R619-G638 PolarHBondContact O-N 2.96Å
639D76.6Confident68Low141.667 Ų141.66778.8 Ų78.876%0.75841%0.41SS*.EExtended strand (participates in β ladder)trans-62.9147.5-176.6-63.4-47.5000113.5
640L82.8Confident70.5Confident52.3333 Ų52.333373.1 Ų73.127%0.27438%0.382SS..EExtended strand (participates in β ladder)trans-90.2116177.8-176.771.1000110.6W475 F601 A616 L618 Y642W475-L640 HydrophobicContact CH2-CD1 4.39Å; W475-L640 HydrophobicContact CH2-CD2 4.07Å; W475-L640 HydrophobicContact CZ2-CB 4.3Å; W475-L640 HydrophobicContact CZ2-CD1 4.18Å; W475-L640 HydrophobicContact CZ2-CD2 3.81Å; W475-L640 HydrophobicContact CZ2-CG 4.37Å; F601-L640 HydrophobicContact CE1-CD1 4.29Å; F601-L640 HydrophobicContact CZ-CD1 4.27Å; A616-L640 HydrophobicContact CB-CD1 4.1Å; A616-L640 HydrophobicContact CB-CD2 4.45Å; A616-L640 HydrophobicContact CB-CG 4.44Å; L618-L640 HydrophobicContact CB-CD1 3.9Å; L618-L640 HydrophobicContact CD1-CB 4.15Å; L618-L640 HydrophobicContact CD1-CD1 3.93Å; L618-L640 HydrophobicContact CD2-CB 3.8Å; L618-L640 HydrophobicContact CD2-CD1 3.62Å; L618-L640 HydrophobicContact CD2-CG 4.3Å; L618-L640 HydrophobicContact CG-CD1 4.06Å; L640-Y642 HydrophobicContact CD2-CD2 4.49Å; L640-Y642 HydrophobicContact CD2-CE1 4.21Å; L640-Y642 HydrophobicContact CD2-CE2 3.85Å; L640-Y642 VanDerWaalsContact CD2-CZ 3.48Å; L640-Y642 WeakPolarHBondContact CD2-OH 3.38Å; L640-Y642 HydrophobicContact CG-CE2 4.21Å
641V87.4Confident72.9Confident48.3333 Ų48.333367.2 Ų67.229%0.29336%0.356SS..EExtended strand (participates in β ladder)trans-105.8134.2178.7-177.40000110C617 L643 I672C617-V641 PolarHBondContact N-O 3.04Å; C617-V641 PolarHBondContact O-N 3.13Å; V641-L643 HydrophobicContact CG1-CD2 4.44Å; V641-I672 HydrophobicContact CB-CG2 4.08Å; V641-I672 HydrophobicContact CG1-CB 4.49Å; V641-I672 HydrophobicContact CG1-CG2 4.04Å; V641-I672 HydrophobicContact CG2-CD1 4.38Å; V641-I672 HydrophobicContact CG2-CG2 4.36Å
642Y87.3Confident75.2Confident102.667 Ų102.66763.6 Ų63.640%0.40334%0.341SS..EExtended strand (participates in β ladder)trans-107116.2177-64.7-84.8000111.5E477 T603 R614 L615 A616 L640E477-Y642 PolarHBondContact OE1-OH 3.16Å; T603-Y642 HydrophobicContact CG2-CD1 4.46Å; T603-Y642 HydrophobicContact CG2-CE1 4.26Å; R614-Y642 HydrophobicContact CB-CD1 4.42Å; L615-Y642 WeakPolarHBondContact O-CA 3.3Å; A616-Y642 HydrophobicContact CB-CD1 3.95Å; A616-Y642 HydrophobicContact CB-CE1 3.89Å; L640-Y642 HydrophobicContact CD2-CD2 4.49Å; L640-Y642 HydrophobicContact CD2-CE1 4.21Å; L640-Y642 HydrophobicContact CD2-CE2 3.85Å; L640-Y642 VanDerWaalsContact CD2-CZ 3.48Å; L640-Y642 WeakPolarHBondContact CD2-OH 3.38Å; L640-Y642 HydrophobicContact CG-CE2 4.21Å
643L87.2Confident77.4Confident18.3333 Ų18.333364 Ų6410%0.09633%0.332CS..EExtended strand (participates in β ladder)trans-92.5144.6171.2-56.6179.1000110.5R614 L615 V641 A645 Y669R614-L643 CarbonylContact C-O 3.27Å; R614-L643 VanDerWaalsContact CA-O 3.24Å; R614-L643 WeakPolarHBondContact CA-O 3.41Å; R614-L643 VanDerWaalsContact CB-O 3.29Å; R614-L643 WeakPolarHBondContact CB-O 3.34Å; L615-L643 HydrophobicContact CB-CB 4.36Å; L615-L643 HydrophobicContact CD2-CD1 4.35Å; L615-L643 PolarHBondContact N-O 2.93Å; L615-L643 PolarHBondContact O-N 2.98Å; V641-L643 HydrophobicContact CG1-CD2 4.44Å; L643-A645 PolarHBondContact O-N 3.1Å; L643-Y669 HydrophobicContact CD1-CD1 3.89Å; L643-Y669 HydrophobicContact CD1-CD2 4.47Å; L643-Y669 HydrophobicContact CD1-CE1 4.03Å; L643-Y669 HydrophobicContact CD1-CG 4.16Å; L643-Y669 HydrophobicContact CD2-CD1 4.45Å; L643-Y669 HydrophobicContact CD2-CE1 4Å
644R82.5Confident79.4Confident154.667 Ų154.66760.2 Ų60.258%0.58431%0.305SS*.EExtended strand (participates in β ladder)trans-74.7113.3173.2-70-177.4-179-177.12.1109.3E661R644-E661 HydrophobicContact CB-CG 4.28Å; R644-E661 VanDerWaalsContact CB-OE1 3.27Å; R644-E661 WeakPolarHBondContact CB-OE1 3.37Å; R644-E661 WeakPolarHBondContact CD-OE1 3.43Å
645A84.5Confident81.5Confident1 Ų156.2 Ų56.21%0.00828%0.283CS..  trans-157124.4-179.500000110L602 S613 R614 L615 L643 D647 C659 L660L602-A645 HydrophobicContact CD1-CB 4.45Å; S613-A645 CarbonylContact C-O 3.51Å; S613-A645 WeakPolarHBondContact CB-O 3.31Å; S613-A645 VanDerWaalsContact O-O 3.07Å; S613-A645 PolarHBondContact OG-O 3.14Å; R614-A645 PolarHBondContact N-O 3.18Å; L615-A645 HydrophobicContact CB-CB 4.08Å; L643-A645 PolarHBondContact O-N 3.1Å; A645-D647 VanDerWaalsContact C-N 3.31Å; A645-C659 HydrophobicContact CB-CB 4Å; A645-L660 CarbonylContact C-O 3.2Å; A645-L660 WeakPolarHBondContact CA-O 3.45Å
646C81.9Confident83.2Confident61.3333 Ų61.333351.4 Ų51.441%0.41425%0.253SS..SBendtrans-73.5-30.5166.3-82.50000111.6S613 L660 P662S613-C646 PolarHBondContact OG-O 3.21Å; S613-C646 VanDerWaalsContact OG-O 3.08Å; C646-L660 PolarHBondContact N-O 3.27Å; C646-P662 VanDerWaalsContact SG-CD 3.52Å; C646-P662 VanDerWaalsContact SG-CG 3.56Å
647D85.9Confident84.7Confident7.33333 Ų7.3333349.2 Ų49.24%0.03924%0.24CC..EExtended strand (participates in β ladder)trans-147.8153.7176-155-11.6000110.7K584 A645 C659 L660 S821 L822K584-D647 WeakPolarHBondContact CE-OD1 3.45Å; K584-D647 IonicContact NZ-OD1 3.27Å; K584-D647 PolarHBondContact NZ-OD1 3.41Å; K584-D647 IonicContact NZ-OD2 2.79Å; K584-D647 PolarHBondContact NZ-OD2 2.88Å; A645-D647 VanDerWaalsContact C-N 3.31Å; D647-C659 CarbonylContact O-C 3.59Å; D647-C659 WeakPolarHBondContact O-CA 3.17Å; D647-L660 HydrophobicContact CB-CB 4.03Å; D647-L660 HydrophobicContact CB-CD2 4.24Å; D647-L660 PolarHBondContact O-N 2.91Å; D647-S821 VanDerWaalsContact OD2-CA 3.26Å; D647-S821 WeakPolarHBondContact OD2-CA 3.37Å; D647-S821 WeakPolarHBondContact OD2-CB 3.15Å; D647-L822 HydrophobicContact CB-CD1 4.48Å; D647-L822 HydrophobicContact CB-CG 4.4Å; D647-L822 PolarHBondContact OD2-N 3.24Å
648A89.3Confident85.7Confident4.33333 Ų4.3333346.8 Ų46.84%0.03623%0.229CC..EExtended strand (participates in β ladder)trans-149.2146.3175.600000113.4F588 L602 L615 I658F588-A648 HydrophobicContact CE1-CB 4.29Å; F588-A648 HydrophobicContact CZ-CB 4.08Å; L602-A648 HydrophobicContact CD1-CB 4.2Å; L602-A648 HydrophobicContact CD2-CB 4.37Å; L615-A648 HydrophobicContact CB-CB 4.49Å; L615-A648 HydrophobicContact CD1-CB 3.83Å; L615-A648 HydrophobicContact CD2-CB 3.78Å; L615-A648 HydrophobicContact CG-CB 4.26Å; A648-I658 CarbonylContact C-O 3.54Å; A648-I658 WeakPolarHBondContact CA-O 3.38Å
649V90.2Very high86.6Confident7.66667 Ų7.6666745.7 Ų45.75%0.04622%0.218CC..EExtended strand (participates in β ladder)trans-143.1136.9176.2136.30000109.7I658 L822 P825 F830V649-I658 HydrophobicContact CG1-CB 3.9Å; V649-I658 HydrophobicContact CG1-CD1 4.23Å; V649-I658 HydrophobicContact CG1-CG1 4.39Å; V649-I658 PolarHBondContact N-O 3.08Å; V649-I658 WeakPolarHBondContact O-CB 3.37Å; V649-I658 PolarHBondContact O-N 3.15Å; V649-L822 HydrophobicContact CB-CB 4.13Å; V649-L822 HydrophobicContact CG1-CB 3.82Å; V649-L822 HydrophobicContact CG1-CD1 4.34Å; V649-L822 HydrophobicContact CG2-CB 3.55Å; V649-L822 WeakPolarHBondContact CG2-O 3.37Å; V649-P825 HydrophobicContact CG1-CB 3.59Å; V649-P825 HydrophobicContact CG1-CG 3.78Å; V649-P825 HydrophobicContact CG2-CB 3.67Å; V649-P825 HydrophobicContact CG2-CG 3.63Å; V649-F830 HydrophobicContact CG1-CB 4.22Å; V649-F830 HydrophobicContact CG1-CD2 4.22Å; V649-F830 HydrophobicContact CG1-CG 4.25Å
650Y91Very high87.1Confident23 Ų2339.8 Ų39.89%0.0919%0.187CC..EExtended strand (participates in β ladder)trans-99.4134.4174.8172.4-108.7000111.7F588 L589 A590 V591 P652 I656 P825F588-Y650 VanDerWaalsContact CD2-CB 3.47Å; F588-Y650 HydrophobicContact CD2-CG 4.24Å; F588-Y650 VanDerWaalsContact CE2-CB 3.46Å; F588-Y650 HydrophobicContact CE2-CG 4.44Å; L589-Y650 WeakPolarHBondContact O-CD1 3.23Å; L589-Y650 VanDerWaalsContact O-CE1 3.31Å; L589-Y650 WeakPolarHBondContact O-CE1 3.28Å; A590-Y650 HydrophobicContact CB-CD1 4.46Å; A590-Y650 HydrophobicContact CB-CD2 3.57Å; A590-Y650 HydrophobicContact CB-CE2 3.87Å; A590-Y650 HydrophobicContact CB-CG 3.93Å; V591-Y650 VanDerWaalsContact N-CZ 3.28Å; V591-Y650 PolarHBondContact N-OH 3.03Å; V591-Y650 VanDerWaalsContact N-OH 3.1Å; V591-Y650 VanDerWaalsContact O-CE2 3.25Å; V591-Y650 WeakPolarHBondContact O-CE2 3.47Å; V591-Y650 PolarHBondContact O-OH 3.08Å; V591-Y650 VanDerWaalsContact O-OH 3.09Å; Y650-P652 HydrophobicContact CD1-CB 4.41Å; Y650-P652 HydrophobicContact CD1-CG 4.07Å; Y650-P652 HydrophobicContact CE1-CB 3.9Å; Y650-P652 HydrophobicContact CE1-CG 3.89Å; Y650-P652 WeakPolarHBondContact O-CD 2.94Å; Y650-I656 WeakPolarHBondContact CD2-O 3.37Å; Y650-P825 WeakPolarHBondContact O-CB 3.36Å
651V88.8Confident87Confident0 Ų038.7 Ų38.70%018%0.18CC..EExtended strand (participates in β ladder)trans-106.5110177.3-178.90000109.5Y653 S654 R655 I656 I658 G827 F830 L858V651-Y653 VanDerWaalsContact C-N 3.35Å; V651-Y653 PolarHBondContact O-N 3.27Å; V651-S654 WeakPolarHBondContact CB-OG 3.33Å; V651-S654 VanDerWaalsContact CG1-OG 3.3Å; V651-S654 WeakPolarHBondContact CG1-OG 3.36Å; V651-S654 PolarHBondContact O-OG 3.11Å; V651-R655 PolarHBondContact O-N 3Å; V651-I656 PolarHBondContact N-O 3.02Å; V651-I656 PolarHBondContact O-N 3.01Å; V651-I658 HydrophobicContact CG2-CD1 3.67Å; V651-I658 HydrophobicContact CG2-CG1 4.29Å; V651-G827 VanDerWaalsContact CG1-O 3.27Å; V651-G827 WeakPolarHBondContact CG1-O 3.26Å; V651-F830 HydrophobicContact CG2-CB 4.24Å; V651-F830 HydrophobicContact CG2-CD1 4.43Å; V651-L858 HydrophobicContact CB-CD1 4.23Å; V651-L858 HydrophobicContact CG1-CD1 4.36Å; V651-L858 HydrophobicContact CG2-CD1 4.18Å
652P83.7Confident86.3Confident64.6667 Ų64.666739.7 Ų39.742%0.4219%0.187SC..THydrogen-bonded Turntrans-71.2-30.6-167.510.2-12.7000114.9Y650 R655Y650-P652 HydrophobicContact CD1-CB 4.41Å; Y650-P652 HydrophobicContact CD1-CG 4.07Å; Y650-P652 HydrophobicContact CE1-CB 3.9Å; Y650-P652 HydrophobicContact CE1-CG 3.89Å; Y650-P652 WeakPolarHBondContact O-CD 2.94Å; P652-R655 PolarHBondContact O-N 3.46Å
653Y84Confident85.4Confident164.667 Ų164.66738 Ų3865%0.64620%0.202SC*.THydrogen-bonded Turntrans-73.1-40.4-178.6-110.2-103.6000112.6V651 R655 G827 N828 T860V651-Y653 VanDerWaalsContact C-N 3.35Å; V651-Y653 PolarHBondContact O-N 3.27Å; Y653-R655 VanDerWaalsContact C-N 3.35Å; Y653-G827 WeakPolarHBondContact CB-O 3.15Å; Y653-G827 WeakPolarHBondContact CD2-O 3.31Å; Y653-N828 VanDerWaalsContact C-OD1 3.28Å; Y653-N828 WeakPolarHBondContact CB-OD1 3.08Å; Y653-N828 HydrophobicContact CD1-CB 3.69Å; Y653-N828 HydrophobicContact CE1-CB 4.45Å; Y653-N828 HydrophobicContact CG-CB 4.15Å; Y653-T860 HydrophobicContact CE1-CG2 4.37Å
654S83.6Confident84.8Confident19.6667 Ų19.666740.1 Ų40.114%0.13822%0.215CC..THydrogen-bonded Turntrans-84.9-12.9176.348.30000113.6V651 I656 N828 L858V651-S654 WeakPolarHBondContact CB-OG 3.33Å; V651-S654 VanDerWaalsContact CG1-OG 3.3Å; V651-S654 WeakPolarHBondContact CG1-OG 3.36Å; V651-S654 PolarHBondContact O-OG 3.11Å; S654-I656 VanDerWaalsContact C-N 3.33Å; S654-I656 PolarHBondContact O-N 2.95Å; S654-N828 WeakPolarHBondContact CB-OD1 3.38Å; S654-N828 PolarHBondContact N-OD1 3.24Å; S654-N828 PolarHBondContact OG-OD1 3.2Å; S654-L858 WeakPolarHBondContact OG-CD1 3.43Å
655R89Confident84.6Confident84.6667 Ų84.666733.7 Ų33.732%0.31920%0.197SC..THydrogen-bonded Turntrans58.441.7-176.1-58.7-176.5177.1-163-2.5113.2V591 D592 I593 S595 V651 P652 Y653V591-R655 WeakPolarHBondContact O-CB 3.46Å; D592-R655 VanDerWaalsContact O-CD 3.25Å; D592-R655 WeakPolarHBondContact O-CD 3.41Å; I593-R655 HydrophobicContact CG1-CB 4.39Å; I593-R655 PolarHBondContact O-NH1 2.94Å; S595-R655 PolarHBondContact OG-NH1 3.46Å; S595-R655 PolarHBondContact OG-NH2 3.11Å; V651-R655 PolarHBondContact O-N 3Å; P652-R655 PolarHBondContact O-N 3.46Å; Y653-R655 VanDerWaalsContact C-N 3.35Å
656I90.5Very high84.7Confident0.666667 Ų0.66666734.2 Ų34.20%0.00320%0.2CC..EExtended strand (participates in β ladder)trans-123.8132.2-176.5-70.2171.9000109.8Y650 V651 S654 I658 L668 Y669 I675 L858 Y891Y650-I656 WeakPolarHBondContact CD2-O 3.37Å; V651-I656 PolarHBondContact N-O 3.02Å; V651-I656 PolarHBondContact O-N 3.01Å; S654-I656 VanDerWaalsContact C-N 3.33Å; S654-I656 PolarHBondContact O-N 2.95Å; I656-I658 HydrophobicContact CG2-CG1 4.35Å; I656-L668 HydrophobicContact CG2-CB 3.86Å; I656-L668 HydrophobicContact CG2-CD1 4.48Å; I656-L668 HydrophobicContact CG2-CD2 3.96Å; I656-L668 HydrophobicContact CG2-CG 4.33Å; I656-Y669 CarbonylContact C-O 3.49Å; I656-Y669 WeakPolarHBondContact CA-O 3.41Å; I656-Y669 WeakPolarHBondContact CG2-O 3.14Å; I656-I675 HydrophobicContact CD1-CD1 4.03Å; I656-I675 HydrophobicContact CG1-CD1 3.98Å; I656-L858 HydrophobicContact CB-CD1 4.3Å; I656-L858 HydrophobicContact CG2-CD1 4.27Å; I656-Y891 HydrophobicContact CD1-CD1 4.31Å; I656-Y891 HydrophobicContact CD1-CD2 4.43Å; I656-Y891 HydrophobicContact CD1-CE1 3.89Å; I656-Y891 HydrophobicContact CD1-CE2 3.95Å
657T91.7Very high85Confident2.33333 Ų2.3333331.3 Ų31.31%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-91126.8168.8-58.10000108.9F588 L615 Y669F588-T657 HydrophobicContact CE2-CG2 4.04Å; F588-T657 HydrophobicContact CZ-CG2 4.06Å; L615-T657 HydrophobicContact CD2-CG2 3.88Å; T657-Y669 PolarHBondContact N-O 3.27Å; T657-Y669 PolarHBondContact O-N 3.08Å
658I90.5Very high85.3Confident0 Ų031 Ų310%018%0.178CC..EExtended strand (participates in β ladder)trans-104125.1-178.9-50.6-175.3000107.9A648 V649 V651 I656 I666 L668 L822 F830 L858A648-I658 CarbonylContact C-O 3.54Å; A648-I658 WeakPolarHBondContact CA-O 3.38Å; V649-I658 HydrophobicContact CG1-CB 3.9Å; V649-I658 HydrophobicContact CG1-CD1 4.23Å; V649-I658 HydrophobicContact CG1-CG1 4.39Å; V649-I658 PolarHBondContact N-O 3.08Å; V649-I658 WeakPolarHBondContact O-CB 3.37Å; V649-I658 PolarHBondContact O-N 3.15Å; V651-I658 HydrophobicContact CG2-CD1 3.67Å; V651-I658 HydrophobicContact CG2-CG1 4.29Å; I656-I658 HydrophobicContact CG2-CG1 4.35Å; I658-I666 HydrophobicContact CG2-CG2 3.4Å; I658-I666 VanDerWaalsContact CG2-CG2 3.42Å; I658-L668 HydrophobicContact CB-CD2 4.42Å; I658-L668 HydrophobicContact CD1-CD2 4.35Å; I658-L668 HydrophobicContact CG1-CD2 3.88Å; I658-L668 HydrophobicContact CG2-CD2 4.19Å; I658-L822 HydrophobicContact CB-CD1 4.49Å; I658-L822 HydrophobicContact CG2-CD1 3.98Å; I658-F830 HydrophobicContact CD1-CB 4.35Å; I658-F830 HydrophobicContact CD1-CD1 3.19Å; I658-F830 HydrophobicContact CD1-CD2 4.13Å; I658-F830 HydrophobicContact CD1-CE1 3.29Å; I658-F830 HydrophobicContact CD1-CE2 4.2Å; I658-F830 HydrophobicContact CD1-CG 3.64Å; I658-F830 HydrophobicContact CD1-CZ 3.81Å; I658-F830 HydrophobicContact CG2-CE2 4.4Å; I658-F830 HydrophobicContact CG2-CZ 4.36Å; I658-L858 HydrophobicContact CD1-CD1 4Å
659C90Very high85.3Confident0 Ų031.7 Ų31.70%018%0.18CC..EExtended strand (participates in β ladder)trans-120137.2-179.4-68.20000110.5A645 D647 I666 I667 Y669A645-C659 HydrophobicContact CB-CB 4Å; D647-C659 CarbonylContact O-C 3.59Å; D647-C659 WeakPolarHBondContact O-CA 3.17Å; C659-I666 WeakPolarHBondContact O-CA 3.48Å; C659-I667 PolarHBondContact N-O 3.13Å; C659-I667 PolarHBondContact O-N 3.29Å; C659-Y669 HydrophobicContact CB-CD2 3.96Å; C659-Y669 HydrophobicContact CB-CE2 3.81Å
660L86.8Confident85.2Confident18.3333 Ų18.333331.4 Ų31.410%0.09618%0.178CC..EExtended strand (participates in β ladder)trans-96.8104.6170.9-17767.3000109A645 C646 D647 I666 M817 I820 L822A645-L660 CarbonylContact C-O 3.2Å; A645-L660 WeakPolarHBondContact CA-O 3.45Å; C646-L660 PolarHBondContact N-O 3.27Å; D647-L660 HydrophobicContact CB-CB 4.03Å; D647-L660 HydrophobicContact CB-CD2 4.24Å; D647-L660 PolarHBondContact O-N 2.91Å; L660-I666 HydrophobicContact CD1-CG1 3.92Å; L660-M817 HydrophobicContact CD1-CE 3.99Å; L660-M817 HydrophobicContact CG-CE 4.45Å; L660-I820 HydrophobicContact CD2-CB 4.29Å; L660-I820 HydrophobicContact CD2-CG2 4.17Å; L660-L822 HydrophobicContact CB-CD1 4.07Å; L660-L822 HydrophobicContact CB-CG 4.31Å
661E82.3Confident84.9Confident28.6667 Ų28.666730.5 Ų30.513%0.13418%0.176CC..EExtended strand (participates in β ladder)trans-96.1125.7176.9-172.6173.8-160.700110.4R644 G663 V664 G665 I667 M817R644-E661 HydrophobicContact CB-CG 4.28Å; R644-E661 VanDerWaalsContact CB-OE1 3.27Å; R644-E661 WeakPolarHBondContact CB-OE1 3.37Å; R644-E661 WeakPolarHBondContact CD-OE1 3.43Å; E661-G663 PolarHBondContact O-N 2.94Å; E661-V664 HydrophobicContact CB-CB 4.19Å; E661-V664 HydrophobicContact CG-CB 4.29Å; E661-V664 HydrophobicContact CG-CG2 4.15Å; E661-V664 PolarHBondContact O-N 3.04Å; E661-V664 VanDerWaalsContact O-N 3.12Å; E661-G665 PolarHBondContact N-O 3.16Å; E661-G665 PolarHBondContact O-N 3.21Å; E661-I667 HydrophobicContact CB-CD1 3.77Å; E661-I667 HydrophobicContact CG-CD1 4.49Å; E661-I667 WeakPolarHBondContact OE2-CD1 3.33Å; E661-M817 WeakPolarHBondContact O-CE 3.38Å
662P71.2Confident84.8Confident69 Ų6933.8 Ų33.845%0.44819%0.193SC..THydrogen-bonded Turntrans-64.9128.2-176.126.5-34.5000111.4C646 V664 M817C646-P662 VanDerWaalsContact SG-CD 3.52Å; C646-P662 VanDerWaalsContact SG-CG 3.56Å; P662-V664 VanDerWaalsContact C-N 3.26Å; P662-V664 PolarHBondContact O-N 2.99Å; P662-M817 VanDerWaalsContact CA-SD 3.6Å; P662-M817 HydrophobicContact CB-SD 4.3Å
663G68.7Low84.9Confident68.3333 Ų68.333334 Ų3470%0.70419%0.187SC*.THydrogen-bonded Turntrans84.8-18.6-177.500000115E661 M817E661-G663 PolarHBondContact O-N 2.94Å; G663-M817 PolarHBondContact N-SD 3.4Å; G663-M817 VanDerWaalsContact N-SD 3.36Å
664V74.9Confident85.2Confident61.3333 Ų61.333330.9 Ų30.937%0.37218%0.177SC..THydrogen-bonded Turntrans-102.6-41.7-179.9-1770000111.7E661 P662 I667 L677 I714E661-V664 HydrophobicContact CB-CB 4.19Å; E661-V664 HydrophobicContact CG-CB 4.29Å; E661-V664 HydrophobicContact CG-CG2 4.15Å; E661-V664 PolarHBondContact O-N 3.04Å; E661-V664 VanDerWaalsContact O-N 3.12Å; P662-V664 VanDerWaalsContact C-N 3.26Å; P662-V664 PolarHBondContact O-N 2.99Å; V664-I667 HydrophobicContact CB-CD1 4.49Å; V664-I667 HydrophobicContact CG1-CD1 3.94Å; V664-I667 HydrophobicContact CG1-CG1 4.35Å; V664-L677 HydrophobicContact CG1-CD1 3.96Å; V664-L677 HydrophobicContact CG1-CD2 3.49Å; V664-L677 VanDerWaalsContact CG1-CD2 3.49Å; V664-L677 WeakPolarHBondContact O-CD1 3.34Å; V664-I714 VanDerWaalsContact O-CD1 3.25Å; V664-I714 WeakPolarHBondContact O-CD1 3.21Å
665G79.2Confident85.3Confident20 Ų2030.4 Ų30.421%0.20617%0.173CC..EExtended strand (participates in β ladder)trans115.2-146.7179.900000113.2E661E661-G665 PolarHBondContact N-O 3.16Å; E661-G665 PolarHBondContact O-N 3.21Å
666I86.6Confident85.1Confident12.6667 Ų12.666727 Ų277%0.06516%0.162CC..EExtended strand (participates in β ladder)trans-94.3121.7-177.5-60.2174.4000109.6I658 C659 L660 L677 L678 L680 L822 I832I658-I666 HydrophobicContact CG2-CG2 3.4Å; I658-I666 VanDerWaalsContact CG2-CG2 3.42Å; C659-I666 WeakPolarHBondContact O-CA 3.48Å; L660-I666 HydrophobicContact CD1-CG1 3.92Å; I666-L677 WeakPolarHBondContact O-CD1 3.31Å; I666-L678 HydrophobicContact CB-CB 4.23Å; I666-L678 HydrophobicContact CB-CD2 4.33Å; I666-L678 HydrophobicContact CG2-CB 4.03Å; I666-L678 HydrophobicContact CG2-CD2 3.97Å; I666-L678 WeakPolarHBondContact O-CB 3.46Å; I666-L678 PolarHBondContact O-N 3.07Å; I666-L680 HydrophobicContact CD1-CD1 4Å; I666-L680 HydrophobicContact CD1-CG 4.5Å; I666-L822 HydrophobicContact CD1-CD2 4.46Å; I666-I832 HydrophobicContact CD1-CD1 3.66Å; I666-I832 HydrophobicContact CD1-CG1 4.38Å
667I87.9Confident84.8Confident0 Ų029.4 Ų29.40%017%0.174CC..EExtended strand (participates in β ladder)trans-115137-177.8-57.5173.4000109.4C659 E661 V664 Y669 K674 L677C659-I667 PolarHBondContact N-O 3.13Å; C659-I667 PolarHBondContact O-N 3.29Å; E661-I667 HydrophobicContact CB-CD1 3.77Å; E661-I667 HydrophobicContact CG-CD1 4.49Å; E661-I667 WeakPolarHBondContact OE2-CD1 3.33Å; V664-I667 HydrophobicContact CB-CD1 4.49Å; V664-I667 HydrophobicContact CG1-CD1 3.94Å; V664-I667 HydrophobicContact CG1-CG1 4.35Å; I667-Y669 HydrophobicContact CB-CD2 4.42Å; I667-Y669 HydrophobicContact CB-CE2 3.85Å; I667-Y669 HydrophobicContact CG2-CD2 3.86Å; I667-Y669 HydrophobicContact CG2-CE2 3.34Å; I667-K674 HydrophobicContact CG2-CD 4.02Å; I667-K674 HydrophobicContact CG2-CG 3.75Å; I667-L677 HydrophobicContact CG1-CD1 3.9Å; I667-L677 HydrophobicContact CG1-CD2 3.82Å
668L90.9Very high84.3Confident0.666667 Ų0.66666730.1 Ų30.10%0.00318%0.178CC..EExtended strand (participates in β ladder)trans-96135.1173.6-55.6-174.1000110.6I656 I658 I675 C676 L678 L858 Y891I656-L668 HydrophobicContact CG2-CB 3.86Å; I656-L668 HydrophobicContact CG2-CD1 4.48Å; I656-L668 HydrophobicContact CG2-CD2 3.96Å; I656-L668 HydrophobicContact CG2-CG 4.33Å; I658-L668 HydrophobicContact CB-CD2 4.42Å; I658-L668 HydrophobicContact CD1-CD2 4.35Å; I658-L668 HydrophobicContact CG1-CD2 3.88Å; I658-L668 HydrophobicContact CG2-CD2 4.19Å; L668-I675 HydrophobicContact CB-CB 4.26Å; L668-I675 HydrophobicContact CB-CD1 4.41Å; L668-I675 WeakPolarHBondContact O-CB 3.16Å; L668-I675 PolarHBondContact O-N 3.27Å; L668-C676 PolarHBondContact N-O 3.1Å; L668-L678 HydrophobicContact CD1-CB 4.49Å; L668-L678 HydrophobicContact CD1-CD1 4.43Å; L668-L678 HydrophobicContact CD2-CB 4.4Å; L668-L678 HydrophobicContact CD2-CD2 4.46Å; L668-L678 HydrophobicContact CG-CB 4.33Å; L668-L858 HydrophobicContact CD1-CD2 4.19Å; L668-L858 HydrophobicContact CD2-CD2 4.25Å; L668-Y891 HydrophobicContact CD1-CE1 4.12Å
669Y90.9Very high83.6Confident19.6667 Ų19.666731.6 Ų31.68%0.07719%0.193CC..EExtended strand (participates in β ladder)trans-126.5141.9176.7-72.8-93.9000110.7L643 I656 T657 C659 I667 K673 K674L643-Y669 HydrophobicContact CD1-CD1 3.89Å; L643-Y669 HydrophobicContact CD1-CD2 4.47Å; L643-Y669 HydrophobicContact CD1-CE1 4.03Å; L643-Y669 HydrophobicContact CD1-CG 4.16Å; L643-Y669 HydrophobicContact CD2-CD1 4.45Å; L643-Y669 HydrophobicContact CD2-CE1 4Å; I656-Y669 CarbonylContact C-O 3.49Å; I656-Y669 WeakPolarHBondContact CA-O 3.41Å; I656-Y669 WeakPolarHBondContact CG2-O 3.14Å; T657-Y669 PolarHBondContact N-O 3.27Å; T657-Y669 PolarHBondContact O-N 3.08Å; C659-Y669 HydrophobicContact CB-CD2 3.96Å; C659-Y669 HydrophobicContact CB-CE2 3.81Å; I667-Y669 HydrophobicContact CB-CD2 4.42Å; I667-Y669 HydrophobicContact CB-CE2 3.85Å; I667-Y669 HydrophobicContact CG2-CD2 3.86Å; I667-Y669 HydrophobicContact CG2-CE2 3.34Å; Y669-K673 CarbonylContact C-O 3.42Å; Y669-K673 VanDerWaalsContact CA-O 3.31Å; Y669-K673 WeakPolarHBondContact CA-O 3.36Å; Y669-K674 HydrophobicContact CD1-CB 4.09Å; Y669-K674 HydrophobicContact CE1-CB 3.72Å; Y669-K674 HydrophobicContact CE1-CG 4.34Å
670T88.3Confident82.6Confident1 Ų133.1 Ų33.11%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-107.6110.1162.11730000107.4D592 I593 I672 K673 I675 L884D592-T670 WeakPolarHBondContact CB-OG1 3.34Å; I593-T670 HydrophobicContact CD1-CG2 4.2Å; I593-T670 WeakPolarHBondContact CG1-OG1 3.29Å; I593-T670 PolarHBondContact N-OG1 3.32Å; I593-T670 VanDerWaalsContact N-OG1 3.14Å; T670-I672 PolarHBondContact O-N 3Å; T670-I672 VanDerWaalsContact O-N 3.13Å; T670-K673 HydrophobicContact CG2-CB 4.23Å; T670-K673 PolarHBondContact N-O 3.13Å; T670-K673 PolarHBondContact O-N 3.03Å; T670-I675 HydrophobicContact CG2-CD1 3.99Å; T670-I675 HydrophobicContact CG2-CG1 3.86Å; T670-L884 HydrophobicContact CG2-CD2 4.01Å
671G84.4Confident81.2Confident4.66667 Ų4.6666736.2 Ų36.25%0.04822%0.224CC..THydrogen-bonded Turntrans56.8-112.8-166.600000110.7
672I86.2Confident79.5Confident68.6667 Ų68.666738.7 Ų38.735%0.35224%0.243SC..THydrogen-bonded Turntrans-99.6-10.5175.959.6169.8000114.3W598 C617 V641 T670W598-I672 HydrophobicContact CD2-CG2 4.43Å; W598-I672 HydrophobicContact CE3-CG2 3.94Å; W598-I672 HydrophobicContact CH2-CB 4.46Å; W598-I672 HydrophobicContact CH2-CD1 3.86Å; W598-I672 HydrophobicContact CH2-CG1 3.91Å; W598-I672 HydrophobicContact CH2-CG2 3.78Å; W598-I672 HydrophobicContact CZ2-CG1 4.23Å; W598-I672 HydrophobicContact CZ2-CG2 4.37Å; W598-I672 HydrophobicContact CZ3-CD1 4.42Å; W598-I672 HydrophobicContact CZ3-CG2 3.53Å; C617-I672 HydrophobicContact CB-CG2 4.17Å; V641-I672 HydrophobicContact CB-CG2 4.08Å; V641-I672 HydrophobicContact CG1-CB 4.49Å; V641-I672 HydrophobicContact CG1-CG2 4.04Å; V641-I672 HydrophobicContact CG2-CD1 4.38Å; V641-I672 HydrophobicContact CG2-CG2 4.36Å; T670-I672 PolarHBondContact O-N 3Å; T670-I672 VanDerWaalsContact O-N 3.13Å
673K86.5Confident78.2Confident68 Ų6839.3 Ų39.330%0.29625%0.247SC..EExtended strand (participates in β ladder)trans-84.5123.6-177.9-141.2175.5-174.8169.80110.6Y669 T670 I675 D881 L884 L885Y669-K673 CarbonylContact C-O 3.42Å; Y669-K673 VanDerWaalsContact CA-O 3.31Å; Y669-K673 WeakPolarHBondContact CA-O 3.36Å; T670-K673 HydrophobicContact CG2-CB 4.23Å; T670-K673 PolarHBondContact N-O 3.13Å; T670-K673 PolarHBondContact O-N 3.03Å; K673-I675 PolarHBondContact O-N 3.09Å; K673-D881 PolarHBondContact NZ-O 2.94Å; K673-L884 HydrophobicContact CD-CB 4.26Å; K673-L885 VanDerWaalsContact NZ-CB 3.34Å
674K88.4Confident77Confident100.333 Ų100.33339.3 Ų39.344%0.43623%0.234SC..EExtended strand (participates in β ladder)trans-67.8129.1174.2-178172177.1175.80109.4I667 Y669I667-K674 HydrophobicContact CG2-CD 4.02Å; I667-K674 HydrophobicContact CG2-CG 3.75Å; Y669-K674 HydrophobicContact CD1-CB 4.09Å; Y669-K674 HydrophobicContact CE1-CB 3.72Å; Y669-K674 HydrophobicContact CE1-CG 4.34Å
675I85.9Confident75.2Confident10 Ų1043.3 Ų43.35%0.05125%0.253CS..EExtended strand (participates in β ladder)trans-92.2-73.3175.7-54.1172.1000108.7I6 I593 I656 L668 T670 K673 A888 Y891 I892I6-I675 HydrophobicContact CD1-CG2 4.47Å; I593-I675 HydrophobicContact CD1-CD1 4.41Å; I656-I675 HydrophobicContact CD1-CD1 4.03Å; I656-I675 HydrophobicContact CG1-CD1 3.98Å; L668-I675 HydrophobicContact CB-CB 4.26Å; L668-I675 HydrophobicContact CB-CD1 4.41Å; L668-I675 WeakPolarHBondContact O-CB 3.16Å; L668-I675 PolarHBondContact O-N 3.27Å; T670-I675 HydrophobicContact CG2-CD1 3.99Å; T670-I675 HydrophobicContact CG2-CG1 3.86Å; K673-I675 PolarHBondContact O-N 3.09Å; I675-A888 HydrophobicContact CG1-CB 4.5Å; I675-Y891 HydrophobicContact CG2-CD1 3.87Å; I675-Y891 HydrophobicContact CG2-CE1 4.4Å; I675-Y891 HydrophobicContact CG2-CG 4.5Å; I675-I892 HydrophobicContact CG2-CD1 4.27Å; I675-I892 HydrophobicContact CG2-CG1 3.89Å; I675-I892 WeakPolarHBondContact O-CD1 3.23Å
676C84.8Confident73Confident12.3333 Ų12.333347.1 Ų47.18%0.08327%0.268CS..EExtended strand (participates in β ladder)trans-157173.5-174.668.70000112.3T4 I6 L668 I892T4-C676 WeakPolarHBondContact O-CB 3.34Å; I6-C676 WeakPolarHBondContact CD1-SG 3.5Å; I6-C676 HydrophobicContact CG1-CB 4.46Å; I6-C676 WeakPolarHBondContact CG1-SG 3.49Å; L668-C676 PolarHBondContact N-O 3.1Å; C676-I892 HydrophobicContact CB-CD1 4.22Å; C676-I892 HydrophobicContact CB-CG1 4.14Å
677L85.4Confident70.5Confident51.6667 Ų51.666751.1 Ų51.127%0.27130%0.297SS..EExtended strand (participates in β ladder)trans-84.4135.3165.5-140.697000109.4T4 M5 I6 V664 I666 I667 G679 F713 I714T4-L677 PolarHBondContact O-N 3.39Å; M5-L677 WeakPolarHBondContact CA-O 3.13Å; I6-L677 PolarHBondContact N-O 3.15Å; V664-L677 HydrophobicContact CG1-CD1 3.96Å; V664-L677 HydrophobicContact CG1-CD2 3.49Å; V664-L677 VanDerWaalsContact CG1-CD2 3.49Å; V664-L677 WeakPolarHBondContact O-CD1 3.34Å; I666-L677 WeakPolarHBondContact O-CD1 3.31Å; I667-L677 HydrophobicContact CG1-CD1 3.9Å; I667-L677 HydrophobicContact CG1-CD2 3.82Å; L677-G679 PolarHBondContact O-N 2.96Å; L677-F713 HydrophobicContact CD2-CE1 4.37Å; L677-F713 HydrophobicContact CD2-CE2 4.47Å; L677-F713 HydrophobicContact CD2-CZ 3.74Å; L677-I714 HydrophobicContact CD2-CD1 4.09Å
678L81.2Confident67.8Low16.6667 Ų16.666758.4 Ų58.49%0.08733%0.333CS..EExtended strand (participates in β ladder)trans-87.4113.6177.3-176.767.2000110.4A8 I666 L668 L680 F830 V856 L858A8-L678 HydrophobicContact CB-CD1 4.25Å; I666-L678 HydrophobicContact CB-CB 4.23Å; I666-L678 HydrophobicContact CB-CD2 4.33Å; I666-L678 HydrophobicContact CG2-CB 4.03Å; I666-L678 HydrophobicContact CG2-CD2 3.97Å; I666-L678 WeakPolarHBondContact O-CB 3.46Å; I666-L678 PolarHBondContact O-N 3.07Å; L668-L678 HydrophobicContact CD1-CB 4.49Å; L668-L678 HydrophobicContact CD1-CD1 4.43Å; L668-L678 HydrophobicContact CD2-CB 4.4Å; L668-L678 HydrophobicContact CD2-CD2 4.46Å; L668-L678 HydrophobicContact CG-CB 4.33Å; L678-L680 HydrophobicContact CD2-CD2 4.01Å; L678-L680 HydrophobicContact CG-CD2 4.2Å; L678-L680 HydrophobicContact CG-CG 4.48Å; L678-F830 HydrophobicContact CD2-CE1 4.23Å; L678-F830 HydrophobicContact CD2-CZ 3.82Å; L678-V856 HydrophobicContact CD2-CG1 4.19Å; L678-L858 HydrophobicContact CD1-CD2 4.23Å; L678-L858 HydrophobicContact CD2-CD2 4.27Å
679G74.4Confident65Low31 Ų3167.9 Ų67.932%0.3237%0.37SS..EExtended strand (participates in β ladder)trans-79.8127.7168.500000111I6 A8 L677I6-G679 PolarHBondContact O-N 3.12Å; A8-G679 PolarHBondContact N-O 3.3Å; A8-G679 VanDerWaalsContact N-O 3.07Å; L677-G679 PolarHBondContact O-N 2.96Å
680L68.9Low62.1Low32 Ų3273.5 Ų73.517%0.16840%0.401CS..BIsolated β-bridgetrans-104.6119.4173.4-62.6176.8000109.3A8 V11 I666 L678 P682 P683 P684 F713 I832 V856A8-L680 HydrophobicContact CB-CD2 3.97Å; V11-L680 HydrophobicContact CG2-CD2 4.16Å; I666-L680 HydrophobicContact CD1-CD1 4Å; I666-L680 HydrophobicContact CD1-CG 4.5Å; L678-L680 HydrophobicContact CD2-CD2 4.01Å; L678-L680 HydrophobicContact CG-CD2 4.2Å; L678-L680 HydrophobicContact CG-CG 4.48Å; L680-P682 CarbonylContact C-O 3.54Å; L680-P682 CarbonylContact O-C 3.53Å; L680-P683 WeakPolarHBondContact O-CA 3.29Å; L680-P684 HydrophobicContact CD1-CG 4.29Å; L680-F713 HydrophobicContact CB-CB 4.27Å; L680-F713 HydrophobicContact CB-CD2 4.44Å; L680-F713 HydrophobicContact CD1-CB 4.19Å; L680-F713 HydrophobicContact CD1-CD2 3.58Å; L680-F713 HydrophobicContact CD1-CE2 4.35Å; L680-F713 HydrophobicContact CD1-CG 4.2Å; L680-F713 HydrophobicContact CG-CB 4.46Å; L680-I832 HydrophobicContact CD1-CD1 3.59Å; L680-I832 HydrophobicContact CD2-CD1 4.44Å; L680-V856 HydrophobicContact CD2-CB 4.39Å; L680-V856 HydrophobicContact CD2-CG1 3.95Å; L680-V856 HydrophobicContact CD2-CG2 3.94Å
681S58Low59.4Low82.6667 Ų82.666776.7 Ų76.758%0.57843%0.434SS*.SBendtrans-115.8127.1173.9-172.60000110
682P46.4Very low56.9Low81 Ų8183.6 Ų83.653%0.52648%0.475SS..SBendcis-59148.1-4.127.4-33.7000110L680 V709L680-P682 CarbonylContact C-O 3.54Å; L680-P682 CarbonylContact O-C 3.53Å; P682-V709 HydrophobicContact CB-CG1 3.71Å; P682-V709 HydrophobicContact CG-CG1 4.1Å
683P45.1Very low54.1Low82.6667 Ų82.666783.2 Ų83.254%0.53749%0.488SS..PPolyproline II helixtrans-58.3138.6170.825.3-32.4000108.3L680 L685L680-P683 WeakPolarHBondContact O-CA 3.29Å; P683-L685 PolarHBondContact O-N 3.29Å
684P42.2Very low51.5Low68 Ų6882.8 Ų82.844%0.44250%0.503SS..PPolyproline II helixtrans-60.1136.2169.126.7-33.1000109L680 L686 S687L680-P684 HydrophobicContact CD1-CG 4.29Å; P684-L686 HydrophobicContact CB-CD1 4.23Å; P684-L686 HydrophobicContact CG-CB 4.44Å; P684-L686 HydrophobicContact CG-CD1 3.91Å; P684-L686 PolarHBondContact O-N 3.06Å; P684-S687 PolarHBondContact O-N 2.89Å; P684-S687 VanDerWaalsContact O-N 3.15Å
685L37.8Very low48.9Very low144.667 Ų144.66784 Ų8476%0.75752%0.521SS*.G310 helixtrans-63.514.4-176.9-67.6170.7000113.8P683 S687 Y689P683-L685 PolarHBondContact O-N 3.29Å; L685-S687 VanDerWaalsContact C-N 3.27Å; L685-S687 PolarHBondContact O-N 3.31Å; L685-Y689 WeakPolarHBondContact O-CD2 3.28Å
686L33Very low46.4Very low101.333 Ų101.33391.7 Ų91.753%0.53156%0.557SS.*G310 helixtrans-79.11.8-178.1-89.3156.3000114.5P684 L690 I820P684-L686 HydrophobicContact CB-CD1 4.23Å; P684-L686 HydrophobicContact CG-CB 4.44Å; P684-L686 HydrophobicContact CG-CD1 3.91Å; P684-L686 PolarHBondContact O-N 3.06Å; L686-L690 HydrophobicContact CD2-CD1 4.16Å; L686-L690 VanDerWaalsContact O-CD1 3.28Å; L686-L690 WeakPolarHBondContact O-CD1 3.25Å; L686-I820 HydrophobicContact CD1-CD1 3.82Å; L686-I820 HydrophobicContact CD2-CD1 3.68Å; L686-I820 HydrophobicContact CG-CD1 3.89Å
687S33.7Very low43.9Very low95.3333 Ų95.333397.4 Ų97.467%0.66759%0.585SS**G310 helixtrans-104.2-4.7-179.673.50000115.4P684 L685P684-S687 PolarHBondContact O-N 2.89Å; P684-S687 VanDerWaalsContact O-N 3.15Å; L685-S687 VanDerWaalsContact C-N 3.27Å; L685-S687 PolarHBondContact O-N 3.31Å
688M31.3Very low41.4Very low154 Ų154100 Ų10076%0.75960%0.603SS**G310 helixtrans-94.3-9.5-178.8-73.6-148.672.300115.3
689Y33.2Very low39.1Very low199.667 Ų199.667108.3 Ų108.378%0.78364%0.638SS**SBendtrans-108.67-174.1-79-72.5000115.7L685 G691L685-Y689 WeakPolarHBondContact O-CD2 3.28Å; Y689-G691 VanDerWaalsContact C-N 3.32Å; Y689-G691 PolarHBondContact O-N 3.22Å
690L29.3Very low37Very low137.333 Ų137.333111.1 Ų111.172%0.71965%0.653SS**SBendtrans-111.927.3175.3-74.4170.7000112.8L686 M817L686-L690 HydrophobicContact CD2-CD1 4.16Å; L686-L690 VanDerWaalsContact O-CD1 3.28Å; L686-L690 WeakPolarHBondContact O-CD1 3.25Å; L690-M817 HydrophobicContact CD2-CE 4.35Å
691G31.3Very low35.1Very low69.3333 Ų69.3333119.9 Ų119.972%0.71568%0.684SS**THydrogen-bonded Turntrans-126.636.4-179.200000116.2Y689Y689-G691 VanDerWaalsContact C-N 3.32Å; Y689-G691 PolarHBondContact O-N 3.22Å
692V31.2Very low33.8Very low149.333 Ų149.333123 Ų12391%0.90569%0.694SS**  trans-114.265.3174.3-168.90000114.8
693G28.8Very low33Very low60.6667 Ų60.6667129.5 Ų129.563%0.62571%0.708SS**  trans-172.4114.6162.400000114.7
694G31.5Very low32.2Very low58.6667 Ų58.6667133.9 Ų133.961%0.60572%0.72SS**  trans-41.9144.9173.600000115.7Q696 I697G694-Q696 VanDerWaalsContact C-N 3.29Å; G694-Q696 PolarHBondContact O-N 2.92Å; G694-I697 PolarHBondContact O-N 3.43Å
695P33.2Very low31.7Very low125.333 Ų125.333134.9 Ų134.981%0.81474%0.735SS**Hα-helixtrans-79.654.4-172.730.3-33.8000114.2
696Q33.6Very low31.2Very low172 Ų172132.7 Ų132.780%0.80474%0.737SS**Hα-helixtrans-121.2-0.2170.2-77.6-97.4-0.200113.3G694G694-Q696 VanDerWaalsContact C-N 3.29Å; G694-Q696 PolarHBondContact O-N 2.92Å
697I33.1Very low31.1Very low133 Ų133132.4 Ų132.468%0.68274%0.744SS**Hα-helixtrans-8044.6179.1-52.3171.5000113.1G694 K699 S700 R701G694-I697 PolarHBondContact O-N 3.43Å; I697-K699 VanDerWaalsContact C-N 3.34Å; I697-K699 PolarHBondContact O-N 3.42Å; I697-S700 PolarHBondContact O-OG 3.33Å; I697-R701 PolarHBondContact O-N 2.79Å
698V32.9Very low30.8Very low104.667 Ų104.667134.3 Ų134.363%0.63475%0.745SS**  trans-127.242.3158.3178.20000110.8L702V698-L702 HydrophobicContact CG1-CD1 3.51Å; V698-L702 WeakPolarHBondContact O-CB 3.45Å; V698-L702 VanDerWaalsContact O-CD1 3.24Å; V698-L702 WeakPolarHBondContact O-CD1 3.34Å; V698-L702 PolarHBondContact O-N 2.78Å
699K31.4Very low30.6Very low190.667 Ų190.667132 Ų13283%0.82974%0.74SS**Hα-helixtrans-111.110.9171.3-91.8-173.6175.5179.70112.8I697I697-K699 VanDerWaalsContact C-N 3.34Å; I697-K699 PolarHBondContact O-N 3.42Å
700S31.5Very low30.3Very low91.6667 Ų91.6667129.9 Ų129.964%0.64174%0.737SS**Hα-helixtrans-107.140-175.865.40000113.2I697I697-S700 PolarHBondContact O-OG 3.33Å
701R29.7Very low30.3Very low215.667 Ų215.667128.9 Ų128.981%0.81473%0.731SS**  trans-128.741.9147.3-82.9178-174-165.70.2112.9I697 R703 H704 A705I697-R701 PolarHBondContact O-N 2.79Å; R701-R703 VanDerWaalsContact C-N 3.26Å; R701-R703 PolarHBondContact O-N 3.21Å; R701-H704 PolarHBondContact O-N 3.4Å; R701-A705 PolarHBondContact O-N 2.85Å
702L29.6Very low30.2Very low148.333 Ų148.333129.6 Ų129.678%0.77772%0.723SS**  trans-114.445175.5-132.3144.4000111.8V698 H704 A705 A706V698-L702 HydrophobicContact CG1-CD1 3.51Å; V698-L702 WeakPolarHBondContact O-CB 3.45Å; V698-L702 VanDerWaalsContact O-CD1 3.24Å; V698-L702 WeakPolarHBondContact O-CD1 3.34Å; V698-L702 PolarHBondContact O-N 2.78Å; L702-H704 VanDerWaalsContact C-N 3.31Å; L702-H704 PolarHBondContact O-N 3.02Å; L702-A705 PolarHBondContact O-N 3.22Å; L702-A706 WeakPolarHBondContact O-CB 3.06Å; L702-A706 PolarHBondContact O-N 3.12Å
703R29.1Very low30.1Very low218 Ų218127.7 Ų127.782%0.82370%0.703SS**Hα-helixtrans-129.6134.4169.3-76.5-174.2-159.2-172.14.6110.1R701R701-R703 VanDerWaalsContact C-N 3.26Å; R701-R703 PolarHBondContact O-N 3.21Å
704H29.9Very low30.2Very low173.667 Ų173.667130 Ų13080%0.80470%0.7SS**Hα-helixtrans57.275.4174.9-58.3-69.7000116.1R701 L702R701-H704 PolarHBondContact O-N 3.4Å; L702-H704 VanDerWaalsContact C-N 3.31Å; L702-H704 PolarHBondContact O-N 3.02Å
705A29.8Very low30.1Very low90.3333 Ų90.3333132.6 Ų132.675%0.74770%0.704SS**  trans-122.8101.116100000112.9R701 L702 S707 I708R701-A705 PolarHBondContact O-N 2.85Å; L702-A705 PolarHBondContact O-N 3.22Å; A705-S707 PolarHBondContact O-N 3.37Å; A705-I708 WeakPolarHBondContact O-CB 3.48Å; A705-I708 PolarHBondContact O-N 3.3Å
706A27.9Very low29.9Very low98 Ų98135.9 Ų135.981%0.8170%0.7SS**  trans-108.589.9176.500000111.8L702L702-A706 WeakPolarHBondContact O-CB 3.06Å; L702-A706 PolarHBondContact O-N 3.12Å
707S30.6Very low29.6Very low95.6667 Ų95.6667132.4 Ų132.467%0.66969%0.694SS**  trans-142102.3158.450.60000110.9A705A705-S707 PolarHBondContact O-N 3.37Å
708I27.6Very low29.5Very low133.333 Ų133.333131.5 Ų131.568%0.68469%0.69SS**  trans-73107.3168.6-58.3168.5000110.9A705 E710A705-I708 WeakPolarHBondContact O-CB 3.48Å; A705-I708 PolarHBondContact O-N 3.3Å; I708-E710 HydrophobicContact CG2-CG 4Å
709V27.4Very low29.6Very low107 Ų107133.7 Ų133.765%0.64870%0.698SS**  trans-162.8103.8157.7-171.90000110.4P682 I711P682-V709 HydrophobicContact CB-CG1 3.71Å; P682-V709 HydrophobicContact CG-CG1 4.1Å; V709-I711 HydrophobicContact CG1-CB 4.35Å; V709-I711 HydrophobicContact CG1-CG1 4.27Å
710E26.6Very low29.8Very low155 Ų155130 Ų13072%0.72469%0.687SS**  trans-91.9115.9164.9-67.6-174.314000109.7I708 C737I708-E710 HydrophobicContact CG2-CG 4Å; E710-C737 PolarHBondContact O-SG 3.25Å
711I28.8Very low29.9Very low116 Ų116129.7 Ų129.760%0.59568%0.678SS**  trans-130.3117.3163.8-57.8172.9000109.3V709 F713 L854V709-I711 HydrophobicContact CG1-CB 4.35Å; V709-I711 HydrophobicContact CG1-CG1 4.27Å; I711-F713 HydrophobicContact CG2-CD2 3.19Å; I711-F713 HydrophobicContact CG2-CE2 3.17Å; I711-F713 HydrophobicContact CG2-CG 4.21Å; I711-F713 HydrophobicContact CG2-CZ 4.16Å; I711-L854 HydrophobicContact CD1-CD1 3.47Å; I711-L854 VanDerWaalsContact CD1-CD1 3.47Å
712P30Very low30.3Very low84 Ų84122.1 Ų122.155%0.54566%0.661SS.*  trans-92.6140.9179.227-16.9000111.1I714 V715 V733P712-I714 PolarHBondContact O-N 3.2Å; P712-V715 HydrophobicContact CB-CG2 4.3Å; P712-V733 HydrophobicContact CG-CG1 3.86Å
713F29.5Very low30.3Very low109.667 Ų109.667121.3 Ų121.348%0.48165%0.654SS.*  trans-23.9106.2159.9-57.1-74.4000113.7L677 L680 I711 V730 L734 I820L677-F713 HydrophobicContact CD2-CE1 4.37Å; L677-F713 HydrophobicContact CD2-CE2 4.47Å; L677-F713 HydrophobicContact CD2-CZ 3.74Å; L680-F713 HydrophobicContact CB-CB 4.27Å; L680-F713 HydrophobicContact CB-CD2 4.44Å; L680-F713 HydrophobicContact CD1-CB 4.19Å; L680-F713 HydrophobicContact CD1-CD2 3.58Å; L680-F713 HydrophobicContact CD1-CE2 4.35Å; L680-F713 HydrophobicContact CD1-CG 4.2Å; L680-F713 HydrophobicContact CG-CB 4.46Å; I711-F713 HydrophobicContact CG2-CD2 3.19Å; I711-F713 HydrophobicContact CG2-CE2 3.17Å; I711-F713 HydrophobicContact CG2-CG 4.21Å; I711-F713 HydrophobicContact CG2-CZ 4.16Å; F713-V730 HydrophobicContact CD1-CG1 4.44Å; F713-V730 HydrophobicContact CE1-CG1 4.46Å; F713-L734 HydrophobicContact CE1-CD1 4.4Å; F713-L734 HydrophobicContact CZ-CD2 4.4Å; F713-I820 HydrophobicContact CE1-CD1 4.05Å; F713-I820 HydrophobicContact CZ-CD1 3.89Å
714I30.4Very low30.4Very low109.333 Ų109.333118.1 Ų118.156%0.56164%0.642SS**  trans-175.6118.5144.9-70.8164000110.2V664 L677 P712 R716V664-I714 VanDerWaalsContact O-CD1 3.25Å; V664-I714 WeakPolarHBondContact O-CD1 3.21Å; L677-I714 HydrophobicContact CD2-CD1 4.09Å; P712-I714 PolarHBondContact O-N 3.2Å; I714-R716 HydrophobicContact CG2-CB 4.42Å; I714-R716 HydrophobicContact CG2-CG 3.82Å; I714-R716 PolarHBondContact O-N 2.93Å
715V28.7Very low30.6Very low114 Ų114117.7 Ų117.769%0.69163%0.633SS**  trans-92.7114.7162.9179.90000106.2P712 S717 W725P712-V715 HydrophobicContact CB-CG2 4.3Å; V715-S717 PolarHBondContact O-N 2.94Å; V715-W725 HydrophobicContact CB-CH2 3.14Å; V715-W725 HydrophobicContact CB-CZ2 4.11Å; V715-W725 HydrophobicContact CB-CZ3 3.54Å; V715-W725 HydrophobicContact CG1-CH2 3Å; V715-W725 HydrophobicContact CG1-CZ2 3.47Å; V715-W725 VanDerWaalsContact CG1-CZ2 3.47Å; V715-W725 HydrophobicContact CG1-CZ3 3.89Å; V715-W725 HydrophobicContact CG2-CH2 4.36Å; V715-W725 WeakPolarHBondContact O-CH2 3.46Å
716R28.7Very low30.8Very low194.667 Ų194.667120.6 Ų120.674%0.73563%0.631SS**  trans-65.5124.2170.4-77-173.7171.7155.1-0.1109I714 D718 W725I714-R716 HydrophobicContact CG2-CB 4.42Å; I714-R716 HydrophobicContact CG2-CG 3.82Å; I714-R716 PolarHBondContact O-N 2.93Å; R716-D718 PolarHBondContact O-N 3.41Å; R716-W725 WeakPolarHBondContact O-CH2 3.34Å; R716-W725 WeakPolarHBondContact O-CZ2 3.4Å
717S28.5Very low30.9Very low97.6667 Ų97.6667123.4 Ų123.468%0.68363%0.627SS**  trans-68.3124158.2-106.10000108.1V715 L719V715-S717 PolarHBondContact O-N 2.94Å; S717-L719 PolarHBondContact O-N 3.39Å
718D31.7Very low30.9Very low113.333 Ų113.333124.1 Ų124.161%0.60662%0.623SS**  trans-82.6136.6165.1-136.6-17.4000108.7R716 L720 N721 A722R716-D718 PolarHBondContact O-N 3.41Å; D718-L720 PolarHBondContact O-N 3.05Å; D718-L720 VanDerWaalsContact O-N 3.1Å; D718-N721 HydrophobicContact CB-CB 4.31Å; D718-N721 PolarHBondContact O-N 3.28Å; D718-N721 VanDerWaalsContact O-N 3.09Å; D718-A722 PolarHBondContact O-N 3.49Å
719L35Very low31.3Very low151.333 Ų151.333122 Ų12279%0.79262%0.617SS**THydrogen-bonded Turntrans-58.4-25.4-167.2-122.378.3000113S717 N721 A722 E723S717-L719 PolarHBondContact O-N 3.39Å; L719-N721 VanDerWaalsContact C-N 3.32Å; L719-N721 PolarHBondContact O-N 2.96Å; L719-N721 VanDerWaalsContact O-N 3.14Å; L719-A722 VanDerWaalsContact O-CB 3.3Å; L719-A722 WeakPolarHBondContact O-CB 3.48Å; L719-A722 PolarHBondContact O-N 3.13Å; L719-E723 PolarHBondContact O-N 3.18Å
720L34.9Very low31.5Very low114.333 Ų114.333121 Ų12160%0.59961%0.611SS**THydrogen-bonded Turntrans-78.6-11.4-178.8-68.7167.5000114.5D718 E723 R724D718-L720 PolarHBondContact O-N 3.05Å; D718-L720 VanDerWaalsContact O-N 3.1Å; L720-E723 HydrophobicContact CD2-CB 4.2Å; L720-E723 VanDerWaalsContact CD2-OE2 3.23Å; L720-E723 WeakPolarHBondContact CD2-OE2 3.28Å; L720-E723 CarbonylContact O-C 3.26Å; L720-R724 WeakPolarHBondContact O-CG 3.25Å; L720-R724 PolarHBondContact O-N 3.26Å
721N34.4Very low31.8Very low85 Ų85121.5 Ų121.546%0.45561%0.607SS.*G310 helixtrans-93.6-15.6174.4-80.1-41.9000113.2D718 L719 E723 R724 W725D718-N721 HydrophobicContact CB-CB 4.31Å; D718-N721 PolarHBondContact O-N 3.28Å; D718-N721 VanDerWaalsContact O-N 3.09Å; L719-N721 VanDerWaalsContact C-N 3.32Å; L719-N721 PolarHBondContact O-N 2.96Å; L719-N721 VanDerWaalsContact O-N 3.14Å; N721-E723 VanDerWaalsContact C-N 3.28Å; N721-E723 PolarHBondContact O-N 3.02Å; N721-R724 PolarHBondContact O-N 3.08Å; N721-W725 PolarHBondContact O-N 3.3Å; N721-W725 VanDerWaalsContact O-N 3.15Å
722A36.3Very low32Very low55.6667 Ų55.6667118.8 Ų118.846%0.4660%0.599SS.*Hα-helixtrans-60.4-38.1171.200000111.9D718 L719 R724 W725 H726D718-A722 PolarHBondContact O-N 3.49Å; L719-A722 VanDerWaalsContact O-CB 3.3Å; L719-A722 WeakPolarHBondContact O-CB 3.48Å; L719-A722 PolarHBondContact O-N 3.13Å; A722-R724 VanDerWaalsContact C-N 3.34Å; A722-R724 PolarHBondContact O-N 3.5Å; A722-R724 VanDerWaalsContact O-N 3.16Å; A722-W725 WeakPolarHBondContact O-CA 3.37Å; A722-W725 VanDerWaalsContact O-CB 3.3Å; A722-W725 WeakPolarHBondContact O-CB 3.27Å; A722-W725 PolarHBondContact O-N 2.79Å; A722-H726 PolarHBondContact O-N 2.87Å
723E30.9Very low32.4Very low132 Ų132118.3 Ų118.362%0.61759%0.594SS**Hα-helixtrans-71.1-17.3175.9-67.6-171.714700114.2L719 L720 N721 W725 H726 Q727L719-E723 PolarHBondContact O-N 3.18Å; L720-E723 HydrophobicContact CD2-CB 4.2Å; L720-E723 VanDerWaalsContact CD2-OE2 3.23Å; L720-E723 WeakPolarHBondContact CD2-OE2 3.28Å; L720-E723 CarbonylContact O-C 3.26Å; N721-E723 VanDerWaalsContact C-N 3.28Å; N721-E723 PolarHBondContact O-N 3.02Å; E723-W725 VanDerWaalsContact C-N 3.35Å; E723-W725 PolarHBondContact O-N 2.8Å; E723-H726 VanDerWaalsContact C-N 3.26Å; E723-H726 HydrophobicContact CB-CB 4.04Å; E723-H726 HydrophobicContact CG-CB 4.36Å; E723-H726 CarbonylContact O-C 3.56Å; E723-H726 WeakPolarHBondContact O-CA 3.33Å; E723-H726 PolarHBondContact O-N 3.01Å; E723-Q727 WeakPolarHBondContact O-CG 3.47Å; E723-Q727 PolarHBondContact O-N 3.37Å
724R30.9Very low32.7Very low150.667 Ų150.667116.9 Ų116.957%0.56959%0.591SS**Hα-helixtrans-83.9-16.8168.6-76.9-173.1176.41515.4113.9L720 N721 A722 N728 T729L720-R724 WeakPolarHBondContact O-CG 3.25Å; L720-R724 PolarHBondContact O-N 3.26Å; N721-R724 PolarHBondContact O-N 3.08Å; A722-R724 VanDerWaalsContact C-N 3.34Å; A722-R724 PolarHBondContact O-N 3.5Å; A722-R724 VanDerWaalsContact O-N 3.16Å; R724-N728 VanDerWaalsContact CZ-O 3.31Å; R724-N728 PolarHBondContact NE-O 3.39Å; R724-N728 PolarHBondContact NH2-O 2.94Å; R724-N728 PolarHBondContact O-ND2 2.9Å; R724-T729 PolarHBondContact NH2-O 2.84Å
725W34.8Very low32.9Very low165.333 Ų165.333114.8 Ų114.863%0.62659%0.586SS**Hα-helixtrans-79.4-19.1167.7-80.664.5000113V715 R716 N721 A722 E723 Q727 N728 T729V715-W725 HydrophobicContact CB-CH2 3.14Å; V715-W725 HydrophobicContact CB-CZ2 4.11Å; V715-W725 HydrophobicContact CB-CZ3 3.54Å; V715-W725 HydrophobicContact CG1-CH2 3Å; V715-W725 HydrophobicContact CG1-CZ2 3.47Å; V715-W725 VanDerWaalsContact CG1-CZ2 3.47Å; V715-W725 HydrophobicContact CG1-CZ3 3.89Å; V715-W725 HydrophobicContact CG2-CH2 4.36Å; V715-W725 WeakPolarHBondContact O-CH2 3.46Å; R716-W725 WeakPolarHBondContact O-CH2 3.34Å; R716-W725 WeakPolarHBondContact O-CZ2 3.4Å; N721-W725 PolarHBondContact O-N 3.3Å; N721-W725 VanDerWaalsContact O-N 3.15Å; A722-W725 WeakPolarHBondContact O-CA 3.37Å; A722-W725 VanDerWaalsContact O-CB 3.3Å; A722-W725 WeakPolarHBondContact O-CB 3.27Å; A722-W725 PolarHBondContact O-N 2.79Å; E723-W725 VanDerWaalsContact C-N 3.35Å; E723-W725 PolarHBondContact O-N 2.8Å; W725-Q727 PolarHBondContact O-N 3.24Å; W725-N728 CarbonylContact O-C 3.45Å; W725-N728 PolarHBondContact O-N 3.31Å; W725-T729 HydrophobicContact CE3-CG2 4.33Å; W725-T729 PolarHBondContact O-N 2.94Å; W725-T729 PolarHBondContact O-OG1 3.44Å
726H32.2Very low33.2Very low151 Ų151116.3 Ų116.370%0.69958%0.583SS**Hα-helixtrans-81.9-6.5169.9-80.9-70.7000114A722 E723A722-H726 PolarHBondContact O-N 2.87Å; E723-H726 VanDerWaalsContact C-N 3.26Å; E723-H726 HydrophobicContact CB-CB 4.04Å; E723-H726 HydrophobicContact CG-CB 4.36Å; E723-H726 CarbonylContact O-C 3.56Å; E723-H726 WeakPolarHBondContact O-CA 3.33Å; E723-H726 PolarHBondContact O-N 3.01Å
727Q31Very low33.4Very low156.333 Ų156.333109.6 Ų109.673%0.73157%0.566SS**THydrogen-bonded Turntrans-61.911.3171.5-63.3177.8-2.600116E723 W725 S732E723-Q727 WeakPolarHBondContact O-CG 3.47Å; E723-Q727 PolarHBondContact O-N 3.37Å; W725-Q727 PolarHBondContact O-N 3.24Å; Q727-S732 PolarHBondContact O-OG 2.77Å
728N30.9Very low33.9Very low111 Ų111109.1 Ų109.159%0.59456%0.555SS**  trans-150.257.8176.5-69.1-48.1000116.8R724 W725R724-N728 VanDerWaalsContact CZ-O 3.31Å; R724-N728 PolarHBondContact NE-O 3.39Å; R724-N728 PolarHBondContact NH2-O 2.94Å; R724-N728 PolarHBondContact O-ND2 2.9Å; W725-N728 CarbonylContact O-C 3.45Å; W725-N728 PolarHBondContact O-N 3.31Å
729T34.7Very low34.1Very low88 Ų88106.8 Ų106.854%0.5455%0.547SS..  trans-52.8132.9169.145.40000114.3R724 W725 Y731 S732R724-T729 PolarHBondContact NH2-O 2.84Å; W725-T729 HydrophobicContact CE3-CG2 4.33Å; W725-T729 PolarHBondContact O-N 2.94Å; W725-T729 PolarHBondContact O-OG1 3.44Å; T729-Y731 CarbonylContact O-C 3.59Å; T729-Y731 PolarHBondContact O-N 3.11Å; T729-S732 PolarHBondContact O-N 3.34Å
730V32.5Very low34.3Very low87.3333 Ų87.3333104.4 Ų104.453%0.52953%0.534SS..  trans-6625.3178.1178.50000112.1F713 S732 V733 L734F713-V730 HydrophobicContact CD1-CG1 4.44Å; F713-V730 HydrophobicContact CE1-CG1 4.46Å; V730-S732 WeakPolarHBondContact CG1-OG 3.16Å; V730-S732 PolarHBondContact O-N 3.3Å; V730-V733 PolarHBondContact O-N 3.02Å; V730-L734 HydrophobicContact CG1-CD1 3.74Å; V730-L734 WeakPolarHBondContact O-CB 3.28Å; V730-L734 WeakPolarHBondContact O-CD1 3.21Å; V730-L734 WeakPolarHBondContact O-CG 3.38Å; V730-L734 PolarHBondContact O-N 3.06Å
731Y32.7Very low34.3Very low165.333 Ų165.333105.1 Ų105.165%0.64854%0.537SS*.Hα-helixtrans-68.8-27.9-171.6-153-93.6000115.4T729 V733 S735 S812 E813 S816T729-Y731 CarbonylContact O-C 3.59Å; T729-Y731 PolarHBondContact O-N 3.11Å; Y731-V733 VanDerWaalsContact C-N 3.29Å; Y731-V733 PolarHBondContact O-N 3.18Å; Y731-S735 WeakPolarHBondContact O-CB 3.42Å; Y731-S735 PolarHBondContact O-N 3.09Å; Y731-S812 PolarHBondContact OH-O 3.33Å; Y731-E813 WeakPolarHBondContact CE2-O 3.31Å; Y731-S816 WeakPolarHBondContact CD2-OG 3.44Å; Y731-S816 WeakPolarHBondContact CE2-OG 3.48Å
732S34.3Very low34.4Very low58.6667 Ų58.6667105.7 Ų105.741%0.4154%0.544SS..Hα-helixtrans-75.6-28.7-176.773.40000114.2Q727 T729 V730 S735 K736Q727-S732 PolarHBondContact O-OG 2.77Å; T729-S732 PolarHBondContact O-N 3.34Å; V730-S732 WeakPolarHBondContact CG1-OG 3.16Å; V730-S732 PolarHBondContact O-N 3.3Å; S732-S735 WeakPolarHBondContact O-CB 3.45Å; S732-S735 PolarHBondContact O-N 3.22Å; S732-S735 PolarHBondContact O-OG 3.39Å; S732-K736 PolarHBondContact O-N 3.16Å
733V37.4Very low34.3Very low74.3333 Ų74.3333106.7 Ų106.745%0.45155%0.548SS..Hα-helixtrans-78.8-44.1178.7-177.40000110.9P712 V730 Y731 S735 K736 C737P712-V733 HydrophobicContact CG-CG1 3.86Å; V730-V733 PolarHBondContact O-N 3.02Å; Y731-V733 VanDerWaalsContact C-N 3.29Å; Y731-V733 PolarHBondContact O-N 3.18Å; V733-S735 VanDerWaalsContact C-N 3.29Å; V733-S735 PolarHBondContact O-N 2.91Å; V733-K736 PolarHBondContact O-N 2.93Å; V733-C737 PolarHBondContact O-N 3.18Å; V733-C737 VanDerWaalsContact O-N 3.16Å; V733-C737 PolarHBondContact O-SG 3.19Å
734L35.1Very low34.3Very low80 Ų80106.4 Ų106.442%0.41955%0.55SS.*Hα-helixtrans-60.6-38.3174-98.5137.3000111.9F713 V730 K736 C737 I738 I820F713-L734 HydrophobicContact CE1-CD1 4.4Å; F713-L734 HydrophobicContact CZ-CD2 4.4Å; V730-L734 HydrophobicContact CG1-CD1 3.74Å; V730-L734 WeakPolarHBondContact O-CB 3.28Å; V730-L734 WeakPolarHBondContact O-CD1 3.21Å; V730-L734 WeakPolarHBondContact O-CG 3.38Å; V730-L734 PolarHBondContact O-N 3.06Å; L734-K736 VanDerWaalsContact C-N 3.34Å; L734-K736 PolarHBondContact O-N 3.31Å; L734-C737 PolarHBondContact O-N 2.89Å; L734-I738 WeakPolarHBondContact O-CB 3.22Å; L734-I738 WeakPolarHBondContact O-CD1 3.38Å; L734-I738 VanDerWaalsContact O-CG1 3.25Å; L734-I738 WeakPolarHBondContact O-CG1 3.36Å; L734-I738 PolarHBondContact O-N 3.11Å; L734-I820 HydrophobicContact CD1-CD1 4.35Å; L734-I820 HydrophobicContact CD2-CD1 4.47Å
735S35.8Very low34.3Very low65.6667 Ų65.6667107.2 Ų107.246%0.45956%0.561SS.*Hα-helixtrans-61-42.4175.9148.30000112.8Y731 S732 V733 I738 S739Y731-S735 WeakPolarHBondContact O-CB 3.42Å; Y731-S735 PolarHBondContact O-N 3.09Å; S732-S735 WeakPolarHBondContact O-CB 3.45Å; S732-S735 PolarHBondContact O-N 3.22Å; S732-S735 PolarHBondContact O-OG 3.39Å; V733-S735 VanDerWaalsContact C-N 3.29Å; V733-S735 PolarHBondContact O-N 2.91Å; S735-I738 PolarHBondContact O-N 3.09Å; S735-S739 VanDerWaalsContact O-CB 3.29Å; S735-S739 WeakPolarHBondContact O-CB 3.3Å; S735-S739 PolarHBondContact O-N 3.27Å; S735-S739 PolarHBondContact O-OG 2.8Å
736K34.5Very low33.9Very low144.667 Ų144.667107 Ų10763%0.62957%0.571SS**Hα-helixtrans-68.8-38.8176-85.3-176.7174.3178.30113S732 V733 L734 I738 S739 I740S732-K736 PolarHBondContact O-N 3.16Å; V733-K736 PolarHBondContact O-N 2.93Å; L734-K736 VanDerWaalsContact C-N 3.34Å; L734-K736 PolarHBondContact O-N 3.31Å; K736-I738 VanDerWaalsContact C-N 3.33Å; K736-I738 PolarHBondContact O-N 3.41Å; K736-S739 WeakPolarHBondContact CA-OG 3.4Å; K736-S739 WeakPolarHBondContact O-CB 3.44Å; K736-S739 PolarHBondContact O-N 3.19Å; K736-S739 PolarHBondContact O-OG 2.77Å; K736-I740 WeakPolarHBondContact O-CD1 3.15Å; K736-I740 VanDerWaalsContact O-CG1 3.29Å; K736-I740 WeakPolarHBondContact O-CG1 3.26Å; K736-I740 PolarHBondContact O-N 3.19Å
737C33.8Very low33.8Very low54.6667 Ų54.6667107.1 Ų107.137%0.36958%0.576SS.*Hα-helixtrans-65.2-41.6175.4-65.30000111.6E710 V733 L734 I740 I741E710-C737 PolarHBondContact O-SG 3.25Å; V733-C737 PolarHBondContact O-N 3.18Å; V733-C737 VanDerWaalsContact O-N 3.16Å; V733-C737 PolarHBondContact O-SG 3.19Å; L734-C737 PolarHBondContact O-N 2.89Å; C737-I740 PolarHBondContact O-N 2.96Å; C737-I741 WeakPolarHBondContact O-CB 3.32Å; C737-I741 VanDerWaalsContact O-CD1 3.3Å; C737-I741 WeakPolarHBondContact O-CD1 3.2Å; C737-I741 VanDerWaalsContact O-CG1 3.26Å; C737-I741 WeakPolarHBondContact O-CG1 3.32Å; C737-I741 PolarHBondContact O-N 3.14Å; C737-I741 VanDerWaalsContact O-N 3.09Å
738I38.6Very low33.7Very low86.6667 Ų86.6667106.3 Ų106.344%0.44458%0.575SS.*Hα-helixtrans-64.7-43.2175.2-68.5166.3000110.7L734 S735 K736 I740 I741 T742L734-I738 WeakPolarHBondContact O-CB 3.22Å; L734-I738 WeakPolarHBondContact O-CD1 3.38Å; L734-I738 VanDerWaalsContact O-CG1 3.25Å; L734-I738 WeakPolarHBondContact O-CG1 3.36Å; L734-I738 PolarHBondContact O-N 3.11Å; S735-I738 PolarHBondContact O-N 3.09Å; K736-I738 VanDerWaalsContact C-N 3.33Å; K736-I738 PolarHBondContact O-N 3.41Å; I738-I740 PolarHBondContact O-N 3.3Å; I738-I741 CarbonylContact O-C 3.54Å; I738-I741 PolarHBondContact O-N 3.2Å; I738-I741 VanDerWaalsContact O-N 3.13Å; I738-T742 HydrophobicContact CG2-CG2 4.27Å; I738-T742 WeakPolarHBondContact O-CG2 3.32Å; I738-T742 PolarHBondContact O-N 3.22Å; I738-T742 PolarHBondContact O-OG1 3.25Å
739S36.3Very low33.5Very low64 Ų64108 Ų10845%0.44858%0.584SS.*Hα-helixtrans-60.6-37.3178.5143.50000113.6S735 K736 T742 S743S735-S739 VanDerWaalsContact O-CB 3.29Å; S735-S739 WeakPolarHBondContact O-CB 3.3Å; S735-S739 PolarHBondContact O-N 3.27Å; S735-S739 PolarHBondContact O-OG 2.8Å; K736-S739 WeakPolarHBondContact CA-OG 3.4Å; K736-S739 WeakPolarHBondContact O-CB 3.44Å; K736-S739 PolarHBondContact O-N 3.19Å; K736-S739 PolarHBondContact O-OG 2.77Å; S739-T742 WeakPolarHBondContact CA-OG1 3.26Å; S739-T742 PolarHBondContact O-N 2.95Å; S739-T742 PolarHBondContact O-OG1 3.18Å; S739-T742 VanDerWaalsContact O-OG1 3.06Å; S739-S743 VanDerWaalsContact O-CB 3.31Å; S739-S743 WeakPolarHBondContact O-CB 3.41Å; S739-S743 PolarHBondContact O-N 3.14Å; S739-S743 VanDerWaalsContact O-N 3.15Å; S739-S743 PolarHBondContact O-OG 3.33Å
740I38.3Very low33.2Very low102.667 Ų102.667112.3 Ų112.353%0.52660%0.598SS.*Hα-helixtrans-73.2-32.9177-67.4167.5000111.2K736 C737 I738 T742 S743K736-I740 WeakPolarHBondContact O-CD1 3.15Å; K736-I740 VanDerWaalsContact O-CG1 3.29Å; K736-I740 WeakPolarHBondContact O-CG1 3.26Å; K736-I740 PolarHBondContact O-N 3.19Å; C737-I740 PolarHBondContact O-N 2.96Å; I738-I740 PolarHBondContact O-N 3.3Å; I740-T742 VanDerWaalsContact C-N 3.34Å; I740-T742 PolarHBondContact O-N 3.02Å; I740-S743 VanDerWaalsContact CA-OG 3.31Å; I740-S743 WeakPolarHBondContact CA-OG 3.48Å; I740-S743 PolarHBondContact O-N 3.39Å; I740-S743 PolarHBondContact O-OG 3.23Å
741I35.1Very low32.9Very low127.333 Ų127.333112.4 Ų112.465%0.65360%0.602SS**Hα-helixtrans-72.8-33.4176-68.3166.3000111.1C737 I738 S743C737-I741 WeakPolarHBondContact O-CB 3.32Å; C737-I741 VanDerWaalsContact O-CD1 3.3Å; C737-I741 WeakPolarHBondContact O-CD1 3.2Å; C737-I741 VanDerWaalsContact O-CG1 3.26Å; C737-I741 WeakPolarHBondContact O-CG1 3.32Å; C737-I741 PolarHBondContact O-N 3.14Å; C737-I741 VanDerWaalsContact O-N 3.09Å; I738-I741 CarbonylContact O-C 3.54Å; I738-I741 PolarHBondContact O-N 3.2Å; I738-I741 VanDerWaalsContact O-N 3.13Å; I741-S743 VanDerWaalsContact C-N 3.34Å; I741-S743 PolarHBondContact O-N 3.02Å
742T35.6Very low32.7Very low98.6667 Ų98.6667114.4 Ų114.461%0.60561%0.61SS**Hα-helixtrans-82.8-13.417850.30000115I738 S739 I740I738-T742 HydrophobicContact CG2-CG2 4.27Å; I738-T742 WeakPolarHBondContact O-CG2 3.32Å; I738-T742 PolarHBondContact O-N 3.22Å; I738-T742 PolarHBondContact O-OG1 3.25Å; S739-T742 WeakPolarHBondContact CA-OG1 3.26Å; S739-T742 PolarHBondContact O-N 2.95Å; S739-T742 PolarHBondContact O-OG1 3.18Å; S739-T742 VanDerWaalsContact O-OG1 3.06Å; I740-T742 VanDerWaalsContact C-N 3.34Å; I740-T742 PolarHBondContact O-N 3.02Å
743S34.1Very low32.4Very low76.6667 Ų76.6667117.2 Ų117.254%0.53663%0.625SS.*Hα-helixtrans-90.1-4.4-177.348.90000115.1S739 I740 I741 Q745S739-S743 VanDerWaalsContact O-CB 3.31Å; S739-S743 WeakPolarHBondContact O-CB 3.41Å; S739-S743 PolarHBondContact O-N 3.14Å; S739-S743 VanDerWaalsContact O-N 3.15Å; S739-S743 PolarHBondContact O-OG 3.33Å; I740-S743 VanDerWaalsContact CA-OG 3.31Å; I740-S743 WeakPolarHBondContact CA-OG 3.48Å; I740-S743 PolarHBondContact O-N 3.39Å; I740-S743 PolarHBondContact O-OG 3.23Å; I741-S743 VanDerWaalsContact C-N 3.34Å; I741-S743 PolarHBondContact O-N 3.02Å; S743-Q745 VanDerWaalsContact C-N 3.31Å
744N31.8Very low31.8Very low126 Ų126120 Ų12067%0.67464%0.642SS**SBendtrans-105.430.4-178.7-86.1-10.5000114.4L746N744-L746 VanDerWaalsContact C-N 3.31Å; N744-L746 PolarHBondContact O-N 3.32Å
745Q30Very low31.6Very low167.333 Ų167.333121.3 Ų121.378%0.78266%0.658SS**  trans-12666.3166.4-108174.35.600113S743S743-Q745 VanDerWaalsContact C-N 3.31Å
746L28Very low31.1Very low160.667 Ų160.667124 Ų12484%0.84168%0.677SS**  trans-143.485.4175.2-113.6167000111.5N744N744-L746 VanDerWaalsContact C-N 3.31Å; N744-L746 PolarHBondContact O-N 3.32Å
747L29.2Very low30.9Very low153.333 Ų153.333121 Ų12180%0.80369%0.687SS**  trans-175.790.7168.7-78.4172.3000113.6
748I28.8Very low30.5Very low138.667 Ų138.667123.4 Ų123.471%0.71170%0.704SS**  trans-175.1128136-78.8170.7000112.4
749D26.7Very low30.1Very low147.333 Ų147.333126.6 Ų126.679%0.78872%0.723SS**  trans-158.1124.7153.4-84-35.4000110
750Q28.6Very low29.6Very low179.333 Ų179.333128.7 Ų128.784%0.83874%0.737SS**  trans71.5125132.8-65.8-173.722.600112.7
751S25.6Very low29.2Very low88 Ų88130.5 Ų130.562%0.61575%0.748SS**  cis-172.9164.132.256.90000113.4
752Y29.8Very low28.7Very low207 Ų207133.6 Ų133.681%0.81276%0.756SS**  trans77.5103.2164.5-59.6-68.3000119.8
753T27.3Very low28.3Very low118 Ų118137.2 Ų137.272%0.72476%0.764SS**  98.6125.295.150.10000120.1
754V25.8Very low27.8Very low132.333 Ų132.333139.4 Ų139.480%0.80277%0.774SS**  66.8119.6128.6177.60000120.2
755S29.2Very low27.4Very low107.667 Ų107.667141.6 Ų141.675%0.75378%0.778SS**  trans131.8129.1131.857.60000117.3
756S26.9Very low27.1Very low123.667 Ų123.667138.7 Ų138.787%0.86578%0.775SS**  trans27.4131.915062.80000119
757G28.5Very low26.8Very low81.3333 Ų81.3333140.7 Ų140.784%0.83878%0.777SS**  trans179.6115.4160.600000112.7
758S26.3Very low26.6Very low105 Ų105138.2 Ų138.273%0.73477%0.772SS**  trans-99.5132.3178.354.30000112.1
759N29.6Very low26.4Very low154.333 Ų154.333140.3 Ų140.383%0.82578%0.779SS**  176.8151.7128.8-89.3-18.5000112.6
760S27Very low26.3Very low106.333 Ų106.333141.3 Ų141.374%0.74478%0.784SS**  trans-38.8138.5171.247.50000114.5
761D29.1Very low26.1Very low141 Ų141137.7 Ų137.775%0.75478%0.778SS**  -144.214299.3-108.8-27.4000111.6K763D761-K763 PolarHBondContact O-N 3.34Å
762K25.5Very low26.1Very low193 Ų193138.1 Ų138.184%0.83978%0.781SS**  trans-88.6115.7172.2-68.7166.6-179.6171.70109.8T764K762-T764 PolarHBondContact O-N 3.48Å
763K26.8Very low25.8Very low174.667 Ų174.667135.7 Ų135.776%0.75978%0.782SS**  trans-112.497.8157.8-84.6-174.7175.7174.50110.6D761 F765D761-K763 PolarHBondContact O-N 3.34Å; K763-F765 HydrophobicContact CB-CD2 4.3Å; K763-F765 HydrophobicContact CB-CE2 4.19Å; K763-F765 HydrophobicContact CD-CE2 4.17Å; K763-F765 HydrophobicContact CD-CZ 4.22Å; K763-F765 HydrophobicContact CG-CE2 4.41Å
764T22.3Very low25.8Very low122.667 Ų122.667138.3 Ų138.375%0.75379%0.791SS**  trans-69.8127162.8-34.10000108.4K762K762-T764 PolarHBondContact O-N 3.48Å
765F23.9Very low25.7Very low172.667 Ų172.667136 Ų13676%0.75779%0.786SS**  trans-119.2116.7163.8-91.8-78.9000109.1K763 F767K763-F765 HydrophobicContact CB-CD2 4.3Å; K763-F765 HydrophobicContact CB-CE2 4.19Å; K763-F765 HydrophobicContact CD-CE2 4.17Å; K763-F765 HydrophobicContact CD-CZ 4.22Å; K763-F765 HydrophobicContact CG-CE2 4.41Å; F765-F767 HydrophobicContact CD1-CD2 4.05Å; F765-F767 AromaticContact CD1-CE2 3.93Å; F765-F767 HydrophobicContact CD1-CE2 3.93Å; F765-F767 HydrophobicContact CE1-CE2 4.06Å
766C23.3Very low25.6Very low106.333 Ų106.333138.3 Ų138.372%0.71879%0.79SS**  trans-82.8138.4168.8-59.60000109.1
767F23.5Very low25.5Very low201.667 Ų201.667142 Ų14289%0.88579%0.79SS**  trans-115103.9158.8-96-81000109.3F765F765-F767 HydrophobicContact CD1-CD2 4.05Å; F765-F767 AromaticContact CD1-CE2 3.93Å; F765-F767 HydrophobicContact CD1-CE2 3.93Å; F765-F767 HydrophobicContact CE1-CE2 4.06Å
768S23.1Very low25.5Very low101 Ų101146.3 Ų146.371%0.70679%0.786SS**  trans-119.9120.4160.154.30000106.4
769E25.7Very low25.5Very low182.333 Ų182.333148.5 Ų148.585%0.85279%0.785SS**  -163.9123.6119.2-94.9169.8-175.300110.2
770L24.4Very low25.3Very low169.333 Ų169.333147.6 Ų147.689%0.88778%0.779SS**  trans-67.9136.6157.8-89.9119.9000111.3
771S25.1Very low25.4Very low103 Ų103153.2 Ų153.272%0.7278%0.784SS**  -144.9143.6108.3-1650000110.2
772S24.8Very low25.2Very low97.3333 Ų97.3333152.2 Ų152.268%0.68178%0.783SS**  trans-33.3126.315551.90000114.1
773D24.6Very low25.4Very low155.333 Ų155.333149.8 Ų149.883%0.83178%0.78SS**  trans-170.785.3140.3-106-14.1000111.9
774L25.6Very low25.6Very low173.333 Ų173.333150.4 Ų150.491%0.90879%0.785SS**  trans-165.960.2144.6-142.773.8000112.7
775A25.3Very low26Very low83.3333 Ų83.3333147.8 Ų147.869%0.68978%0.783SS**  trans-137.3109.2161.200000108.5
776N26.5Very low26.3Very low156.667 Ų156.667146.5 Ų146.584%0.83878%0.784SS**  -161.8140109-86.6-45.1000110.9
777F25.1Very low26.6Very low200.333 Ų200.333147 Ų14788%0.87978%0.779SS**  trans-127.5112.8150.3-99.4-86.5000110.4
778K27.5Very low27Very low173.333 Ų173.333144.7 Ų144.775%0.75477%0.771SS**  trans162.4124.9136.6-97178.5168.7-111.70111.6
779E27.5Very low27.4Very low149.667 Ų149.667147.2 Ų147.270%0.69978%0.775SS**  96147.8102.3-121.2161.7-167.100118
780L25.5Very low27.3Very low137 Ų137143.9 Ų143.972%0.71777%0.771SS**  trans-146.2146.8164.6-84.5143.6000114.5
781R27.6Very low27.6Very low223.667 Ų223.667144.3 Ų144.384%0.84477%0.769SS**  trans100.8144.6138.2-77.7174.7-174-166.12.5116.2
782T25.9Very low27.7Very low119.667 Ų119.667144.3 Ų144.373%0.73476%0.764SS**  trans-94.9147.6147.341.80000112.1
783D30.3Very low27.9Very low142.667 Ų142.667145.9 Ų145.976%0.76377%0.765SS**  -162.5153.285.6-112.9-35.8000113.3
784Q30.3Very low28.1Very low187 Ų187145.9 Ų145.987%0.87476%0.764SS**  trans19.7136.4164.5-60.1173.725.200117.5
785G30.1Very low28.2Very low68 Ų68141.9 Ų141.970%0.70175%0.751SS**  trans145.9131.414200000114.9
786N30.2Very low28.5Very low145 Ų145144.6 Ų144.678%0.77575%0.754SS**  trans-104.5156.4173.1-80.125.9000113.2
787D29.4Very low28.7Very low117.333 Ų117.333142.7 Ų142.763%0.62775%0.747SS**  142.8139.599.2-90.4-37.3000115.4
788H33.4Very low29.1Very low152.667 Ų152.667139.9 Ų139.971%0.70774%0.742SS**  108.7123.5121.2-71.9-31.3000120.2
789L29.9Very low29.2Very low154 Ų154137 Ų13781%0.80674%0.739SS**  67.6114.7128.2-62.2167.7000120.7
790C25.6Very low29.3Very low113 Ų113137.7 Ų137.776%0.76474%0.742SS**  -52.8158.4119.8-60.40000112.2
791E29.3Very low29.5Very low178.333 Ų178.333137.5 Ų137.583%0.83374%0.742SS**  162.3144.3117.6-103.8178.9-164.700113.7
792T28.3Very low29.4Very low102.333 Ų102.333132.5 Ų132.563%0.62874%0.74SS**  -163168.681.145.70000113
793N27.5Very low29.6Very low131 Ų131132.1 Ų132.170%0.70174%0.742SS**  cis156.3152.5-4.6-83.4-31.2000111
794L28.6Very low29.4Very low155.333 Ų155.333133.9 Ų133.981%0.81375%0.746SS**  78.5142.5127.8-67.5144.4000116.3
795S29.2Very low29.4Very low89 Ų89131.8 Ų131.862%0.62274%0.739SS**  cis-177.3160.1654.30000111.7
796N30.7Very low29.3Very low141.333 Ų141.333135.8 Ų135.876%0.75674%0.744SS**  113.6148.9114.9-83.9-0.7000117.8
797V31.2Very low29.3Very low115.333 Ų115.333133.3 Ų133.370%0.69974%0.743SS**  114.3137.9109.8161.50000116
798N32.5Very low29.6Very low141.333 Ų141.333132.9 Ų132.976%0.75675%0.748SS**  164.8144113.3-98.8-3.1000115.1
799T30.6Very low29.3Very low112.667 Ų112.667132.9 Ų132.969%0.69175%0.753SS**  trans-71.7151.1145.126.10000115
800E28.9Very low29.2Very low164.667 Ų164.667133.3 Ų133.377%0.76976%0.755SS**  154.2150.2116.7-94.7-171.3-136.900114.7
801N29.9Very low29.3Very low133.25 Ų133.25136.7 Ų136.771%0.71376%0.76SS**  trans96.6112.4157.4-76-26.4000119.2
802C26Very low29.4Very low119 Ų119133.1 Ų133.180%0.80476%0.755SS**  trans8.8122.4131.9-74.10000117.3
803S29.2Very low29.4Very low110.25 Ų110.25136.4 Ų136.477%0.77176%0.763SS**  147.3134.6128.156.30000116.7I805S803-I805 PolarHBondContact O-N 2.85Å
804E26.4Very low29.5Very low181.25 Ų181.25136.5 Ų136.585%0.84777%0.768SS**  trans-2.6144.4161.5-70.3179.4150.800119.1
805I30.5Very low29.7Very low143.75 Ų143.75137.3 Ų137.374%0.73777%0.765SS**  trans102.692.2158-57.4161.2000115.9S803 A807S803-I805 PolarHBondContact O-N 2.85Å; I805-A807 PolarHBondContact O-N 2.7Å
806N28.8Very low29.9Very low151 Ų151137.1 Ų137.181%0.80776%0.763SS**  trans51.1115.6132.8-66.7-34.5000118.2
807A29.7Very low30.3Very low91.5 Ų91.5136.6 Ų136.676%0.75676%0.758SS**  trans-19.3157.4138.900000115.6I805 N809I805-A807 PolarHBondContact O-N 2.7Å; A807-N809 PolarHBondContact O-N 3.47Å
808P34.6Very low31Very low110.5 Ų110.5136.6 Ų136.672%0.71875%0.75SS**  cis-121.4159.3-14.238.6-26.3000114.3N810P808-N810 PolarHBondContact O-N 2.92Å
809N27.9Very low32.3Very low152.25 Ų152.25137.3 Ų137.381%0.81474%0.742SS**  trans-1.3116146.4-79.6-15.5000116.3A807 Q811A807-N809 PolarHBondContact O-N 3.47Å; N809-Q811 VanDerWaalsContact C-N 3.31Å; N809-Q811 PolarHBondContact O-N 3.43Å
810N28.1Very low34.1Very low161.5 Ų161.5134 Ų13486%0.86472%0.72SS**  trans-98.9108.7161.3-84.1-34.4000110.1P808 S812P808-N810 PolarHBondContact O-N 2.92Å; N810-S812 PolarHBondContact O-N 3.07Å
811Q28.3Very low36.5Very low186 Ų186126.9 Ų126.987%0.86969%0.689SS**  trans-96.6107.9158.2-72.1-174-8.600108.6N809 E813N809-Q811 VanDerWaalsContact C-N 3.31Å; N809-Q811 PolarHBondContact O-N 3.43Å; Q811-E813 PolarHBondContact O-N 2.99Å; Q811-E813 VanDerWaalsContact O-N 3.15Å
812S29.6Very low39Very low101.5 Ų101.5120.6 Ų120.671%0.7166%0.655SS**  trans-90.787.9179.754.90000111.5Y731 N810 V814Y731-S812 PolarHBondContact OH-O 3.33Å; N810-S812 PolarHBondContact O-N 3.07Å; S812-V814 PolarHBondContact O-N 3.19Å; S812-V814 VanDerWaalsContact O-N 3.12Å
813E28.7Very low41.8Very low171.5 Ų171.5115.5 Ų115.580%0.80162%0.621SS**  trans-67.3103-179.9-70.3-172.8124.600112.6Y731 Q811 K815Y731-E813 WeakPolarHBondContact CE2-O 3.31Å; Q811-E813 PolarHBondContact O-N 2.99Å; Q811-E813 VanDerWaalsContact O-N 3.15Å; E813-K815 PolarHBondContact O-N 2.91Å; E813-K815 VanDerWaalsContact O-N 3.08Å
814V31Very low44.3Very low133 Ų133112.9 Ų112.981%0.80660%0.598SS**  trans-87.482.8172.4-179.50000109.8S812 S816S812-V814 PolarHBondContact O-N 3.19Å; S812-V814 VanDerWaalsContact O-N 3.12Å; V814-S816 PolarHBondContact O-N 3.04Å
815K31.6Very low46.9Very low173 Ų173107.1 Ų107.175%0.75258%0.576SS**  trans-70.4111-178.8-75-179.1176.6175.10112.6E813 M817E813-K815 PolarHBondContact O-N 2.91Å; E813-K815 VanDerWaalsContact O-N 3.08Å; K815-M817 PolarHBondContact O-N 3.19Å
816S34.3Very low49.3Very low84.25 Ų84.25102 Ų10259%0.58956%0.555SS**  trans-52.9104.3175.453.50000114.2Y731 V814 E818 R819Y731-S816 WeakPolarHBondContact CD2-OG 3.44Å; Y731-S816 WeakPolarHBondContact CE2-OG 3.48Å; V814-S816 PolarHBondContact O-N 3.04Å; S816-E818 VanDerWaalsContact C-N 3.31Å; S816-R819 WeakPolarHBondContact O-CB 3.21Å; S816-R819 PolarHBondContact O-N 3.12Å
817M37.8Very low51.7Low130.75 Ų130.7596.3 Ų96.364%0.64453%0.532SS*.  trans-80.7116.1164.6-121.8169.9171.400110.2L660 E661 P662 G663 L690 K815 R819 I820L660-M817 HydrophobicContact CD1-CE 3.99Å; L660-M817 HydrophobicContact CG-CE 4.45Å; E661-M817 WeakPolarHBondContact O-CE 3.38Å; P662-M817 VanDerWaalsContact CA-SD 3.6Å; P662-M817 HydrophobicContact CB-SD 4.3Å; G663-M817 PolarHBondContact N-SD 3.4Å; G663-M817 VanDerWaalsContact N-SD 3.36Å; L690-M817 HydrophobicContact CD2-CE 4.35Å; K815-M817 PolarHBondContact O-N 3.19Å; M817-R819 PolarHBondContact O-N 3.23Å; M817-R819 VanDerWaalsContact O-N 3.08Å; M817-I820 PolarHBondContact O-N 2.99Å
818E47.4Very low54.3Low115.75 Ų115.7593.4 Ų93.454%0.54150%0.504SS..  trans-60.7116168.6-84.1-168.8160.400110.8S816 I820 N834 S836S816-E818 VanDerWaalsContact C-N 3.31Å; E818-I820 PolarHBondContact O-N 2.92Å; E818-I820 VanDerWaalsContact O-N 3.14Å; E818-N834 PolarHBondContact OE2-ND2 3.28Å; E818-S836 VanDerWaalsContact OE1-CB 3.24Å; E818-S836 WeakPolarHBondContact OE1-CB 3.37Å; E818-S836 PolarHBondContact OE1-OG 2.75Å
819R58.4Low56.8Low155 Ų15588.1 Ų88.159%0.58547%0.47SS*.EExtended strand (participates in β ladder)trans-97.376179.7-82.7-176175.2129.6-3.7111S816 M817 Q835S816-R819 WeakPolarHBondContact O-CB 3.21Å; S816-R819 PolarHBondContact O-N 3.12Å; M817-R819 PolarHBondContact O-N 3.23Å; M817-R819 VanDerWaalsContact O-N 3.08Å; R819-Q835 PolarHBondContact N-O 3.06Å; R819-Q835 WeakPolarHBondContact O-CB 3.25Å; R819-Q835 PolarHBondContact O-N 3.08Å
820I69.3Low59.7Low43.5 Ų43.580.9 Ų80.922%0.22343%0.431CS..EExtended strand (participates in β ladder)trans-76.4131.8168.5-58.7157.4000108.1L660 L686 F713 L734 M817 E818 I832 A833L660-I820 HydrophobicContact CD2-CB 4.29Å; L660-I820 HydrophobicContact CD2-CG2 4.17Å; L686-I820 HydrophobicContact CD1-CD1 3.82Å; L686-I820 HydrophobicContact CD2-CD1 3.68Å; L686-I820 HydrophobicContact CG-CD1 3.89Å; F713-I820 HydrophobicContact CE1-CD1 4.05Å; F713-I820 HydrophobicContact CZ-CD1 3.89Å; L734-I820 HydrophobicContact CD1-CD1 4.35Å; L734-I820 HydrophobicContact CD2-CD1 4.47Å; M817-I820 PolarHBondContact O-N 2.99Å; E818-I820 PolarHBondContact O-N 2.92Å; E818-I820 VanDerWaalsContact O-N 3.14Å; I820-I832 HydrophobicContact CG2-CG2 3.73Å; I820-A833 WeakPolarHBondContact CA-O 3.42Å
821S78.2Confident62.4Low15.5 Ų15.573.6 Ų73.611%0.10839%0.393CS..EExtended strand (participates in β ladder)trans-131.6145.5177.353.70000111.3D647 A833 Q835D647-S821 VanDerWaalsContact OD2-CA 3.26Å; D647-S821 WeakPolarHBondContact OD2-CA 3.37Å; D647-S821 WeakPolarHBondContact OD2-CB 3.15Å; S821-A833 PolarHBondContact N-O 3.1Å; S821-A833 PolarHBondContact O-N 3.25Å; S821-A833 WeakPolarHBondContact OG-CB 3.32Å; S821-A833 PolarHBondContact OG-O 3.12Å; S821-A833 VanDerWaalsContact OG-O 3.09Å; S821-Q835 PolarHBondContact OG-NE2 3.24Å; S821-Q835 VanDerWaalsContact OG-NE2 3.15Å
822L84Confident65Low2 Ų265.5 Ų65.51%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-97.1129.4174.1-59.2179.2000108.9K584 D647 V649 I658 L660 I666 F830 I832K584-L822 WeakPolarHBondContact CD-O 3.42Å; K584-L822 WeakPolarHBondContact CE-O 3.17Å; D647-L822 HydrophobicContact CB-CD1 4.48Å; D647-L822 HydrophobicContact CB-CG 4.4Å; D647-L822 PolarHBondContact OD2-N 3.24Å; V649-L822 HydrophobicContact CB-CB 4.13Å; V649-L822 HydrophobicContact CG1-CB 3.82Å; V649-L822 HydrophobicContact CG1-CD1 4.34Å; V649-L822 HydrophobicContact CG2-CB 3.55Å; V649-L822 WeakPolarHBondContact CG2-O 3.37Å; I658-L822 HydrophobicContact CB-CD1 4.49Å; I658-L822 HydrophobicContact CG2-CD1 3.98Å; L660-L822 HydrophobicContact CB-CD1 4.07Å; L660-L822 HydrophobicContact CB-CG 4.31Å; I666-L822 HydrophobicContact CD1-CD2 4.46Å; L822-F830 HydrophobicContact CD2-CD2 4.16Å; L822-F830 HydrophobicContact CD2-CE2 3.96Å; L822-I832 HydrophobicContact CD2-CG1 4.05Å
823C83.6Confident67.3Low12.25 Ų12.2560.7 Ų60.78%0.08332%0.322CS..EExtended strand (participates in β ladder)trans-147.5171-173.8-6.80000112.5P582 K584 T831P582-C823 HydrophobicContact CB-CB 4.03Å; P582-C823 VanDerWaalsContact CB-SG 3.54Å; P582-C823 HydrophobicContact CG-CB 3.99Å; P582-C823 WeakPolarHBondContact CG-SG 3.33Å; K584-C823 HydrophobicContact CB-CB 4.35Å; C823-T831 PolarHBondContact N-O 3.06Å; C823-T831 PolarHBondContact O-N 3.06Å; C823-T831 VanDerWaalsContact O-O 3.13Å; C823-T831 PolarHBondContact SG-O 2.83Å
824D82.4Confident69.2Low54.5 Ų54.555 Ų5529%0.29130%0.297SS..EExtended strand (participates in β ladder)trans49.259.9169.6-70.7-10.4000116T49 P582 V583 A826 T831 R855T49-D824 VanDerWaalsContact CB-OD1 3.29Å; T49-D824 WeakPolarHBondContact CB-OD1 3.34Å; T49-D824 WeakPolarHBondContact CG2-OD1 3.42Å; T49-D824 WeakPolarHBondContact CG2-OD2 3.45Å; T49-D824 PolarHBondContact N-OD1 3.46Å; T49-D824 PolarHBondContact OG1-OD1 3.37Å; T49-D824 PolarHBondContact OG1-OD2 3.46Å; P582-D824 HydrophobicContact CB-CB 4.24Å; P582-D824 VanDerWaalsContact CB-OD1 3.25Å; P582-D824 WeakPolarHBondContact CB-OD1 3.36Å; P582-D824 VanDerWaalsContact CB-OD2 3.24Å; P582-D824 WeakPolarHBondContact CB-OD2 3.28Å; V583-D824 PolarHBondContact N-OD1 3.39Å; D824-A826 PolarHBondContact O-N 3.07Å; D824-A826 VanDerWaalsContact O-N 3.15Å; D824-T831 PolarHBondContact OD2-OG1 3.21Å; D824-R855 VanDerWaalsContact O-CZ 3.3Å; D824-R855 PolarHBondContact O-NH1 3.45Å; D824-R855 PolarHBondContact O-NH2 3.12Å; D824-R855 IonicContact OD2-NH1 2.95Å
825P81.7Confident70.5Confident59.25 Ų59.2552.7 Ų52.739%0.38528%0.277SS..EExtended strand (participates in β ladder)trans-65.4116.3169.426.9-31.6000110.7V649 Y650 A829V649-P825 HydrophobicContact CG1-CB 3.59Å; V649-P825 HydrophobicContact CG1-CG 3.78Å; V649-P825 HydrophobicContact CG2-CB 3.67Å; V649-P825 HydrophobicContact CG2-CG 3.63Å; Y650-P825 WeakPolarHBondContact O-CB 3.36Å; P825-A829 WeakPolarHBondContact CA-O 3.2Å
826A80Confident71.3Confident37.25 Ų37.2547.2 Ų47.231%0.30826%0.26SS..EExtended strand (participates in β ladder)trans-149.8121.3-177.200000110.4T49 F56 D824 N828 A829 R855T49-A826 VanDerWaalsContact OG1-CB 3.3Å; T49-A826 WeakPolarHBondContact OG1-CB 3.44Å; F56-A826 HydrophobicContact CD1-CB 4.3Å; F56-A826 HydrophobicContact CE1-CB 3.35Å; F56-A826 HydrophobicContact CZ-CB 4.08Å; F56-A826 WeakPolarHBondContact CZ-O 3.41Å; D824-A826 PolarHBondContact O-N 3.07Å; D824-A826 VanDerWaalsContact O-N 3.15Å; A826-N828 PolarHBondContact O-N 3.07Å; A826-A829 PolarHBondContact N-O 3.01Å; A826-A829 PolarHBondContact O-N 3.07Å; A826-A829 VanDerWaalsContact O-O 3.12Å; A826-R855 PolarHBondContact O-NH2 3.11Å; A826-R855 VanDerWaalsContact O-NH2 3.13Å
827G79.7Confident71.8Confident31 Ų3150.9 Ų50.932%0.3227%0.266SS..THydrogen-bonded Turntrans65.1-130-171.500000111.2V651 Y653 A829V651-G827 VanDerWaalsContact CG1-O 3.27Å; V651-G827 WeakPolarHBondContact CG1-O 3.26Å; Y653-G827 WeakPolarHBondContact CB-O 3.15Å; Y653-G827 WeakPolarHBondContact CD2-O 3.31Å; G827-A829 VanDerWaalsContact C-N 3.31Å
828N84.5Confident71.7Confident30.5 Ų30.550.3 Ų50.316%0.16327%0.269CS..THydrogen-bonded Turntrans-96.928.8171.9-142.518.2000112.9Y653 S654 A826 L858 P859 T860Y653-N828 VanDerWaalsContact C-OD1 3.28Å; Y653-N828 WeakPolarHBondContact CB-OD1 3.08Å; Y653-N828 HydrophobicContact CD1-CB 3.69Å; Y653-N828 HydrophobicContact CE1-CB 4.45Å; Y653-N828 HydrophobicContact CG-CB 4.15Å; S654-N828 WeakPolarHBondContact CB-OD1 3.38Å; S654-N828 PolarHBondContact N-OD1 3.24Å; S654-N828 PolarHBondContact OG-OD1 3.2Å; A826-N828 PolarHBondContact O-N 3.07Å; N828-L858 PolarHBondContact ND2-O 3.1Å; N828-L858 PolarHBondContact O-N 3.03Å; N828-P859 PolarHBondContact ND2-O 3.25Å; N828-T860 WeakPolarHBondContact ND2-CG2 3.28Å
829A86.2Confident71.1Confident0.5 Ų0.550.8 Ų50.80%0.00428%0.28CS..EExtended strand (participates in β ladder)trans-136.5158.7-173.900000113.1P825 A826 G827 R855 V856 Y857P825-A829 WeakPolarHBondContact CA-O 3.2Å; A826-A829 PolarHBondContact N-O 3.01Å; A826-A829 PolarHBondContact O-N 3.07Å; A826-A829 VanDerWaalsContact O-O 3.12Å; G827-A829 VanDerWaalsContact C-N 3.31Å; A829-R855 VanDerWaalsContact C-NH2 3.34Å; A829-R855 HydrophobicContact CB-CG 4.24Å; A829-R855 PolarHBondContact O-NH2 3.25Å; A829-V856 CarbonylContact C-O 3.54Å; A829-V856 WeakPolarHBondContact CA-O 3.37Å; A829-V856 VanDerWaalsContact CB-O 3.3Å; A829-V856 WeakPolarHBondContact CB-O 3.35Å; A829-Y857 HydrophobicContact CB-CD1 3.68Å; A829-Y857 HydrophobicContact CB-CE1 3.83Å; A829-Y857 HydrophobicContact CB-CG 4.09Å
830F88Confident69.8Low0 Ų046.4 Ų46.40%028%0.284CS..EExtended strand (participates in β ladder)trans-139.9162.317468.5-78.4000110.3V649 V651 I658 L678 L822 I832 R855 V856 L858V649-F830 HydrophobicContact CG1-CB 4.22Å; V649-F830 HydrophobicContact CG1-CD2 4.22Å; V649-F830 HydrophobicContact CG1-CG 4.25Å; V651-F830 HydrophobicContact CG2-CB 4.24Å; V651-F830 HydrophobicContact CG2-CD1 4.43Å; I658-F830 HydrophobicContact CD1-CB 4.35Å; I658-F830 HydrophobicContact CD1-CD1 3.19Å; I658-F830 HydrophobicContact CD1-CD2 4.13Å; I658-F830 HydrophobicContact CD1-CE1 3.29Å; I658-F830 HydrophobicContact CD1-CE2 4.2Å; I658-F830 HydrophobicContact CD1-CG 3.64Å; I658-F830 HydrophobicContact CD1-CZ 3.81Å; I658-F830 HydrophobicContact CG2-CE2 4.4Å; I658-F830 HydrophobicContact CG2-CZ 4.36Å; L678-F830 HydrophobicContact CD2-CE1 4.23Å; L678-F830 HydrophobicContact CD2-CZ 3.82Å; L822-F830 HydrophobicContact CD2-CD2 4.16Å; L822-F830 HydrophobicContact CD2-CE2 3.96Å; F830-I832 HydrophobicContact CD2-CG1 4.21Å; F830-I832 HydrophobicContact CE2-CD1 4.06Å; F830-I832 HydrophobicContact CE2-CG1 3.7Å; F830-R855 CarbonylContact O-C 3.57Å; F830-R855 WeakPolarHBondContact O-CA 3.35Å; F830-R855 WeakPolarHBondContact O-CD 3.42Å; F830-V856 HydrophobicContact CD1-CB 4.04Å; F830-V856 HydrophobicContact CD1-CG1 4.39Å; F830-V856 HydrophobicContact CE1-CB 3.52Å; F830-V856 VanDerWaalsContact CE1-CB 3.5Å; F830-V856 HydrophobicContact CE1-CG1 3.51Å; F830-V856 VanDerWaalsContact CE1-CG1 3.46Å; F830-V856 HydrophobicContact CE1-CG2 4.44Å; F830-V856 HydrophobicContact CE2-CB 4.19Å; F830-V856 HydrophobicContact CE2-CG2 4.33Å; F830-V856 HydrophobicContact CZ-CB 3.62Å; F830-V856 HydrophobicContact CZ-CG1 3.71Å; F830-V856 HydrophobicContact CZ-CG2 4.04Å; F830-V856 PolarHBondContact N-O 3.11Å; F830-V856 PolarHBondContact O-N 2.98Å; F830-L858 HydrophobicContact CD1-CG 4.48Å; F830-L858 HydrophobicContact CE1-CD2 4.23Å; F830-L858 HydrophobicContact CE1-CG 4.39Å
831T84.7Confident68Low9.25 Ų9.2551.1 Ų51.16%0.05731%0.314CS..EExtended strand (participates in β ladder)trans-112.5133.4179.7-55.60000110.8C823 D824 F853 L854 R855C823-T831 PolarHBondContact N-O 3.06Å; C823-T831 PolarHBondContact O-N 3.06Å; C823-T831 VanDerWaalsContact O-O 3.13Å; C823-T831 PolarHBondContact SG-O 2.83Å; D824-T831 PolarHBondContact OD2-OG1 3.21Å; T831-F853 HydrophobicContact CG2-CB 3.92Å; T831-F853 HydrophobicContact CG2-CD1 4.14Å; T831-F853 HydrophobicContact CG2-CG 4.42Å; T831-L854 CarbonylContact C-O 3.57Å; T831-L854 WeakPolarHBondContact CA-O 3.39Å; T831-R855 PolarHBondContact OG1-NH1 3.03Å
832I83.6Confident65.8Low14.75 Ų14.7557.8 Ų57.88%0.07635%0.349CS..EExtended strand (participates in β ladder)trans-97.4120.5168.6-55.5173.1000107.4I666 L680 I820 L822 F830 F853 L854 V856I666-I832 HydrophobicContact CD1-CD1 3.66Å; I666-I832 HydrophobicContact CD1-CG1 4.38Å; L680-I832 HydrophobicContact CD1-CD1 3.59Å; L680-I832 HydrophobicContact CD2-CD1 4.44Å; I820-I832 HydrophobicContact CG2-CG2 3.73Å; L822-I832 HydrophobicContact CD2-CG1 4.05Å; F830-I832 HydrophobicContact CD2-CG1 4.21Å; F830-I832 HydrophobicContact CE2-CD1 4.06Å; F830-I832 HydrophobicContact CE2-CG1 3.7Å; I832-F853 WeakPolarHBondContact O-CA 3.33Å; I832-L854 HydrophobicContact CB-CB 4.37Å; I832-L854 PolarHBondContact N-O 3.29Å; I832-L854 PolarHBondContact O-N 2.89Å; I832-V856 HydrophobicContact CD1-CG2 3.8Å; I832-V856 HydrophobicContact CG1-CG2 4.27Å
833A78.5Confident63.1Low1.75 Ų1.7566.9 Ų66.91%0.01439%0.388CS..EExtended strand (participates in β ladder)trans-109.6122.5175.900000109.9P582 I820 S821 F853P582-A833 HydrophobicContact CG-CB 4.43Å; I820-A833 WeakPolarHBondContact CA-O 3.42Å; S821-A833 PolarHBondContact N-O 3.1Å; S821-A833 PolarHBondContact O-N 3.25Å; S821-A833 WeakPolarHBondContact OG-CB 3.32Å; S821-A833 PolarHBondContact OG-O 3.12Å; S821-A833 VanDerWaalsContact OG-O 3.09Å; A833-F853 HydrophobicContact CB-CD1 3.57Å; A833-F853 HydrophobicContact CB-CE1 3.55Å
834N69.3Low60.5Low50.75 Ų50.7572 Ų7227%0.27142%0.423SS..EExtended strand (participates in β ladder)trans-94.2113.9169.3-1689.4000109.5E818 S836 N851 K852E818-N834 PolarHBondContact OE2-ND2 3.28Å; N834-S836 PolarHBondContact O-N 3.16Å; N834-N851 PolarHBondContact O-OD1 3.34Å; N834-N851 VanDerWaalsContact O-OD1 3.11Å; N834-K852 PolarHBondContact N-O 2.99Å
835Q57.6Low58Low85.75 Ų85.7575.5 Ų75.540%0.40145%0.445SS..EExtended strand (participates in β ladder)trans-97.3100.2-179.3-62.3-174.61600110.6R819 S821 K837R819-Q835 PolarHBondContact N-O 3.06Å; R819-Q835 WeakPolarHBondContact O-CB 3.25Å; R819-Q835 PolarHBondContact O-N 3.08Å; S821-Q835 PolarHBondContact OG-NE2 3.24Å; S821-Q835 VanDerWaalsContact OG-NE2 3.15Å; Q835-K837 PolarHBondContact O-N 3.13Å
836S49Very low55.6Low56.5 Ų56.579.6 Ų79.640%0.39546%0.464SS..  trans-80.2108.3168.1-170.30000109.6E818 N834 V838 S850 N851E818-S836 VanDerWaalsContact OE1-CB 3.24Å; E818-S836 WeakPolarHBondContact OE1-CB 3.37Å; E818-S836 PolarHBondContact OE1-OG 2.75Å; N834-S836 PolarHBondContact O-N 3.16Å; S836-V838 PolarHBondContact O-N 3.31Å; S836-S850 VanDerWaalsContact CB-O 3.27Å; S836-S850 WeakPolarHBondContact CB-O 3.36Å; S836-N851 PolarHBondContact N-OD1 3.05Å
837K43.4Very low53.3Low162.5 Ų162.583.2 Ų83.271%0.70749%0.487SS*.  trans-83.599.8171.2-91.1-169.7173.8-174.60109.8Q835 T839Q835-K837 PolarHBondContact O-N 3.13Å; K837-T839 VanDerWaalsContact C-N 3.26Å; K837-T839 HydrophobicContact CB-CG2 4.45Å; K837-T839 PolarHBondContact O-N 3.14Å
838V37.1Very low51.1Low117.25 Ų117.2589 Ų8971%0.71151%0.51SS*.  trans-74.5102.9165.3-177.70000108.5S836S836-V838 PolarHBondContact O-N 3.31Å
839T33Very low49Very low126.25 Ų126.2594.2 Ų94.278%0.77554%0.538SS*.  trans-112.396.7169.152.20000108.7K837K837-T839 VanDerWaalsContact C-N 3.26Å; K837-T839 HydrophobicContact CB-CG2 4.45Å; K837-T839 PolarHBondContact O-N 3.14Å
840G31.4Very low47.1Very low63.5 Ų63.597.6 Ų97.666%0.65556%0.561SS**  trans179.8125.6178.400000110.3D842G840-D842 VanDerWaalsContact C-N 3.32Å; G840-D842 PolarHBondContact O-N 2.99Å
841V31.1Very low45.5Very low142.75 Ų142.75101.1 Ų101.187%0.86558%0.58SS**  trans-67.3109.6176.8176.50000109
842D32.1Very low44.7Very low155.25 Ų155.25107.6 Ų107.683%0.8361%0.608SS**  trans-162.3142.1134.5-106.3-32.6000112.1G840 C844G840-D842 VanDerWaalsContact C-N 3.32Å; G840-D842 PolarHBondContact O-N 2.99Å; D842-C844 PolarHBondContact O-N 3.39Å
843K28.8Very low44.4Very low193.5 Ų193.5111.2 Ų111.284%0.84162%0.623SS**  trans-92.998.9179.9-70178.7179177.70110.7P39P39-K843 PolarHBondContact O-NZ 3.09Å; P39-K843 VanDerWaalsContact O-NZ 3.09Å
844C28.5Very low44.3Very low119.25 Ų119.25114.3 Ų114.381%0.80664%0.639SS**  trans-147124.3156.4-96.80000112.4D842 D846D842-C844 PolarHBondContact O-N 3.39Å; C844-D846 VanDerWaalsContact C-N 3.34Å; C844-D846 PolarHBondContact O-N 3.48Å
845V30.9Very low45Very low127.25 Ų127.25115.7 Ų115.777%0.77164%0.641SS**  trans21.1111152.8-175.90000117.5
846D29.5Very low46.2Very low146.5 Ų146.5112.2 Ų112.278%0.78363%0.625SS**  trans51.272.5162.8-58.3-19000117.9C844 L848C844-D846 VanDerWaalsContact C-N 3.34Å; C844-D846 PolarHBondContact O-N 3.48Å; D846-L848 PolarHBondContact O-N 2.99Å
847S31.9Very low47.9Very low112.5 Ų112.5115.4 Ų115.479%0.78763%0.629SS**  trans-121.894.6159.263.70000112.1
848L35.2Very low49.9Very low153.75 Ų153.75108 Ų10881%0.80560%0.597SS**  trans-90.459.9-172-159.272000113.2D846 S850D846-L848 PolarHBondContact O-N 2.99Å; L848-S850 PolarHBondContact O-N 3.05Å
849D40.1Very low52Low138.5 Ų138.5103.9 Ų103.974%0.74157%0.573SS**  trans-36.143.9-179.9-70.8-30000117.6N851D849-N851 VanDerWaalsContact C-N 3.26Å; D849-N851 PolarHBondContact O-N 3.45Å
850S45Very low54.4Low71.75 Ų71.75100.7 Ų100.750%0.50255%0.553SS.*SBendtrans-84.72-175.864.50000116.5S836 L848 K852S836-S850 VanDerWaalsContact CB-O 3.27Å; S836-S850 WeakPolarHBondContact CB-O 3.36Å; L848-S850 PolarHBondContact O-N 3.05Å; S850-K852 PolarHBondContact O-N 3.1Å
851N55.8Low56.9Low73.25 Ų73.25100.2 Ų100.239%0.39254%0.535SS..  trans-10492.8177.4-78.2-20000111.2N834 S836 D849 F853N834-N851 PolarHBondContact O-OD1 3.34Å; N834-N851 VanDerWaalsContact O-OD1 3.11Å; S836-N851 PolarHBondContact N-OD1 3.05Å; D849-N851 VanDerWaalsContact C-N 3.26Å; D849-N851 PolarHBondContact O-N 3.45Å; N851-F853 HydrophobicContact CB-CE2 4.02Å; N851-F853 HydrophobicContact CB-CZ 4Å; N851-F853 WeakPolarHBondContact O-CD2 3.36Å; N851-F853 VanDerWaalsContact O-CE2 3.23Å; N851-F853 WeakPolarHBondContact O-CE2 3.14Å; N851-F853 PolarHBondContact O-N 2.88Å
852K66.9Low59.4Low145.75 Ų145.7593.9 Ų93.963%0.63450%0.499SS*.  trans-83.8124.3172.7-70.8-176.3178.9179.40110.8N834 S850N834-K852 PolarHBondContact N-O 2.99Å; S850-K852 PolarHBondContact O-N 3.1Å
853F77Confident61.8Low91.5 Ų91.592.4 Ų92.440%0.40149%0.486SS..EExtended strand (participates in β ladder)trans-102.3130.4172.8-59.5-84.8000109.8V14 W47 P582 T831 I832 A833 N851V14-F853 PolarHBondContact N-O 3.48Å; V14-F853 WeakPolarHBondContact O-CB 3.29Å; W47-F853 HydrophobicContact CH2-CD1 4.1Å; W47-F853 AromaticContact CH2-CD2 3.92Å; W47-F853 HydrophobicContact CH2-CD2 3.92Å; W47-F853 AromaticContact CH2-CE1 3.71Å; W47-F853 HydrophobicContact CH2-CE1 3.71Å; W47-F853 AromaticContact CH2-CE2 3.53Å; W47-F853 HydrophobicContact CH2-CE2 3.53Å; W47-F853 HydrophobicContact CH2-CG 4.21Å; W47-F853 AromaticContact CH2-CZ 3.42Å; W47-F853 HydrophobicContact CH2-CZ 3.42Å; W47-F853 VanDerWaalsContact CH2-CZ 3.42Å; W47-F853 HydrophobicContact CZ2-CD1 4.13Å; W47-F853 HydrophobicContact CZ2-CD2 4.28Å; W47-F853 HydrophobicContact CZ2-CE1 4.14Å; W47-F853 HydrophobicContact CZ2-CE2 4.31Å; W47-F853 HydrophobicContact CZ2-CG 4.22Å; W47-F853 HydrophobicContact CZ2-CZ 4.25Å; W47-F853 HydrophobicContact CZ3-CE2 4.44Å; W47-F853 HydrophobicContact CZ3-CZ 4.27Å; P582-F853 VanDerWaalsContact CD-CE1 3.42Å; P582-F853 HydrophobicContact CG-CD1 4.22Å; P582-F853 HydrophobicContact CG-CE1 4.19Å; T831-F853 HydrophobicContact CG2-CB 3.92Å; T831-F853 HydrophobicContact CG2-CD1 4.14Å; T831-F853 HydrophobicContact CG2-CG 4.42Å; I832-F853 WeakPolarHBondContact O-CA 3.33Å; A833-F853 HydrophobicContact CB-CD1 3.57Å; A833-F853 HydrophobicContact CB-CE1 3.55Å; N851-F853 HydrophobicContact CB-CE2 4.02Å; N851-F853 HydrophobicContact CB-CZ 4Å; N851-F853 WeakPolarHBondContact O-CD2 3.36Å; N851-F853 VanDerWaalsContact O-CE2 3.23Å; N851-F853 WeakPolarHBondContact O-CE2 3.14Å; N851-F853 PolarHBondContact O-N 2.88Å
854L77.6Confident64.5Low67 Ų6784.1 Ų84.135%0.35145%0.451SS..EExtended strand (participates in β ladder)trans-117.1113178.4-94.6146.8000109.5V11 D13 I711 T831 I832 V856V11-L854 HydrophobicContact CG1-CB 4.25Å; V11-L854 HydrophobicContact CG1-CD2 3.87Å; D13-L854 WeakPolarHBondContact OD1-CD2 3.48Å; I711-L854 HydrophobicContact CD1-CD1 3.47Å; I711-L854 VanDerWaalsContact CD1-CD1 3.47Å; T831-L854 CarbonylContact C-O 3.57Å; T831-L854 WeakPolarHBondContact CA-O 3.39Å; I832-L854 HydrophobicContact CB-CB 4.37Å; I832-L854 PolarHBondContact N-O 3.29Å; I832-L854 PolarHBondContact O-N 2.89Å; L854-V856 HydrophobicContact CD2-CG2 4.08Å
855R83.2Confident67.2Low80 Ų8082.3 Ų82.330%0.30243%0.431SS..EExtended strand (participates in β ladder)trans-86.7124175-168.5148.9-177.8151.8-2110.1V11 V12 V14 E73 D824 A826 A829 F830 T831 Y857V11-R855 WeakPolarHBondContact CA-O 3.4Å; V12-R855 PolarHBondContact N-O 2.77Å; V12-R855 PolarHBondContact O-N 3.03Å; V14-R855 HydrophobicContact CB-CB 4.34Å; V14-R855 HydrophobicContact CG2-CB 3.28Å; V14-R855 HydrophobicContact CG2-CG 4.22Å; E73-R855 IonicContact OE1-NH2 2.83Å; D824-R855 VanDerWaalsContact O-CZ 3.3Å; D824-R855 PolarHBondContact O-NH1 3.45Å; D824-R855 PolarHBondContact O-NH2 3.12Å; D824-R855 IonicContact OD2-NH1 2.95Å; A826-R855 PolarHBondContact O-NH2 3.11Å; A826-R855 VanDerWaalsContact O-NH2 3.13Å; A829-R855 VanDerWaalsContact C-NH2 3.34Å; A829-R855 HydrophobicContact CB-CG 4.24Å; A829-R855 PolarHBondContact O-NH2 3.25Å; F830-R855 CarbonylContact O-C 3.57Å; F830-R855 WeakPolarHBondContact O-CA 3.35Å; F830-R855 WeakPolarHBondContact O-CD 3.42Å; T831-R855 PolarHBondContact OG1-NH1 3.03Å; R855-Y857 HydrophobicContact CG-CE2 4.13Å
856V83.7Confident70Confident10.75 Ų10.7576.3 Ų76.37%0.06540%0.395CS..EExtended strand (participates in β ladder)trans-111.5127.6-178.3-178.60000108.7A8 V11 L678 L680 A829 F830 I832 L854A8-V856 HydrophobicContact CB-CG1 3.69Å; V11-V856 HydrophobicContact CG1-CG2 4.3Å; V11-V856 HydrophobicContact CG2-CG1 4.48Å; V11-V856 HydrophobicContact CG2-CG2 4.31Å; L678-V856 HydrophobicContact CD2-CG1 4.19Å; L680-V856 HydrophobicContact CD2-CB 4.39Å; L680-V856 HydrophobicContact CD2-CG1 3.95Å; L680-V856 HydrophobicContact CD2-CG2 3.94Å; A829-V856 CarbonylContact C-O 3.54Å; A829-V856 WeakPolarHBondContact CA-O 3.37Å; A829-V856 VanDerWaalsContact CB-O 3.3Å; A829-V856 WeakPolarHBondContact CB-O 3.35Å; F830-V856 HydrophobicContact CD1-CB 4.04Å; F830-V856 HydrophobicContact CD1-CG1 4.39Å; F830-V856 HydrophobicContact CE1-CB 3.52Å; F830-V856 VanDerWaalsContact CE1-CB 3.5Å; F830-V856 HydrophobicContact CE1-CG1 3.51Å; F830-V856 VanDerWaalsContact CE1-CG1 3.46Å; F830-V856 HydrophobicContact CE1-CG2 4.44Å; F830-V856 HydrophobicContact CE2-CB 4.19Å; F830-V856 HydrophobicContact CE2-CG2 4.33Å; F830-V856 HydrophobicContact CZ-CB 3.62Å; F830-V856 HydrophobicContact CZ-CG1 3.71Å; F830-V856 HydrophobicContact CZ-CG2 4.04Å; F830-V856 PolarHBondContact N-O 3.11Å; F830-V856 PolarHBondContact O-N 2.98Å; I832-V856 HydrophobicContact CD1-CG2 3.8Å; I832-V856 HydrophobicContact CG1-CG2 4.27Å; L854-V856 HydrophobicContact CD2-CG2 4.08Å
857Y84.6Confident72.8Confident123.75 Ų123.7569.3 Ų69.349%0.48536%0.357SS..EExtended strand (participates in β ladder)trans-98127.1174.6-67.9-95.8000109.2K9 S10 V12 A829 R855K9-Y857 WeakPolarHBondContact CB-O 3.45Å; K9-Y857 PolarHBondContact N-O 3.06Å; S10-Y857 PolarHBondContact O-N 2.7Å; S10-Y857 WeakPolarHBondContact OG-CB 3.26Å; S10-Y857 WeakPolarHBondContact OG-CD2 3.38Å; V12-Y857 HydrophobicContact CG2-CD2 4.44Å; V12-Y857 HydrophobicContact CG2-CE2 3.99Å; A829-Y857 HydrophobicContact CB-CD1 3.68Å; A829-Y857 HydrophobicContact CB-CE1 3.83Å; A829-Y857 HydrophobicContact CB-CG 4.09Å; R855-Y857 HydrophobicContact CG-CE2 4.13Å
858L84.7Confident75.6Confident7.25 Ų7.2569.1 Ų69.14%0.03834%0.344CS..PPolyproline II helixtrans-79.2145.5170.6-67.9178.3000109.9V651 S654 I656 I658 L668 L678 N828 F830V651-L858 HydrophobicContact CB-CD1 4.23Å; V651-L858 HydrophobicContact CG1-CD1 4.36Å; V651-L858 HydrophobicContact CG2-CD1 4.18Å; S654-L858 WeakPolarHBondContact OG-CD1 3.43Å; I656-L858 HydrophobicContact CB-CD1 4.3Å; I656-L858 HydrophobicContact CG2-CD1 4.27Å; I658-L858 HydrophobicContact CD1-CD1 4Å; L668-L858 HydrophobicContact CD1-CD2 4.19Å; L668-L858 HydrophobicContact CD2-CD2 4.25Å; L678-L858 HydrophobicContact CD1-CD2 4.23Å; L678-L858 HydrophobicContact CD2-CD2 4.27Å; N828-L858 PolarHBondContact ND2-O 3.1Å; N828-L858 PolarHBondContact O-N 3.03Å; F830-L858 HydrophobicContact CD1-CG 4.48Å; F830-L858 HydrophobicContact CE1-CD2 4.23Å; F830-L858 HydrophobicContact CE1-CG 4.39Å
859P81.8Confident78.2Confident32.5 Ų32.564.3 Ų64.321%0.21132%0.315CS..PPolyproline II helixtrans-64.2160.7168.5-9.118000112.2I6 S7 N828 Y891 N895I6-P859 HydrophobicContact CG2-CG 4.07Å; S7-P859 VanDerWaalsContact O-CG 3.25Å; S7-P859 WeakPolarHBondContact O-CG 3.24Å; N828-P859 PolarHBondContact ND2-O 3.25Å; P859-Y891 WeakPolarHBondContact CD-OH 3.34Å; P859-Y891 HydrophobicContact CG-CE2 4.31Å; P859-Y891 PolarHBondContact O-OH 3.44Å; P859-Y891 VanDerWaalsContact O-OH 3.13Å; P859-N895 HydrophobicContact CB-CB 4.23Å; P859-N895 VanDerWaalsContact CB-CG 3.44Å; P859-N895 WeakPolarHBondContact CB-OD1 3.17Å; P859-N895 HydrophobicContact CG-CB 4.11Å; P859-N895 VanDerWaalsContact CG-CG 3.42Å; P859-N895 WeakPolarHBondContact CG-OD1 3.41Å
860T83.1Confident80.6Confident58.25 Ų58.2557.7 Ų57.736%0.35728%0.28SS..PPolyproline II helixtrans-80.7160.6167.548.60000110.4Y653 N828 A862 E863 N895Y653-T860 HydrophobicContact CE1-CG2 4.37Å; N828-T860 WeakPolarHBondContact ND2-CG2 3.28Å; T860-A862 VanDerWaalsContact C-N 3.32Å; T860-A862 VanDerWaalsContact CB-O 3.27Å; T860-A862 WeakPolarHBondContact CB-O 3.4Å; T860-A862 PolarHBondContact O-N 3.18Å; T860-A862 PolarHBondContact OG1-O 3.17Å; T860-E863 WeakPolarHBondContact OG1-CG 3.27Å; T860-N895 PolarHBondContact O-ND2 3.44Å; T860-N895 VanDerWaalsContact O-ND2 3.14Å
861I83.2Confident82.8Confident52.5 Ų52.554.7 Ų54.727%0.26926%0.258SS..SBendtrans-72.4-25.5177.8-166.1165.8000113I593 L871 F887 W890 Y891I593-I861 HydrophobicContact CG2-CD1 3.84Å; I861-L871 HydrophobicContact CD1-CD1 4.41Å; I861-L871 HydrophobicContact CG1-CD1 4.08Å; I861-L871 HydrophobicContact CG2-CD1 4.39Å; I861-F887 HydrophobicContact CD1-CB 4.25Å; I861-F887 HydrophobicContact CD1-CD1 3.41Å; I861-F887 VanDerWaalsContact CD1-CD1 3.41Å; I861-F887 HydrophobicContact CD1-CE1 3.76Å; I861-F887 HydrophobicContact CD1-CG 4.36Å; I861-W890 PolarHBondContact O-NE1 2.92Å; I861-Y891 HydrophobicContact CB-CD2 4.32Å; I861-Y891 HydrophobicContact CG1-CD2 4.3Å
862A84.4Confident84.4Confident12 Ų1254.4 Ų54.410%0.09926%0.259CS..  trans-150.3154.1171.200000109.2T860 V867 Q868 L871 E929T860-A862 VanDerWaalsContact C-N 3.32Å; T860-A862 VanDerWaalsContact CB-O 3.27Å; T860-A862 WeakPolarHBondContact CB-O 3.4Å; T860-A862 PolarHBondContact O-N 3.18Å; T860-A862 PolarHBondContact OG1-O 3.17Å; A862-V867 HydrophobicContact CB-CB 4.1Å; A862-V867 HydrophobicContact CB-CG1 3.87Å; A862-Q868 HydrophobicContact CB-CB 4.28Å; A862-L871 HydrophobicContact CB-CD1 4.22Å; A862-E929 WeakPolarHBondContact CA-OE1 3.26Å; A862-E929 WeakPolarHBondContact CB-OE1 3.17Å
863E82.4Confident85.5Confident122.25 Ų122.2547.5 Ų47.557%0.57123%0.229SC*.SBendtrans-109.2-32.4169.4-61.5-175.6160.200110.6T860 K900 E929T860-E863 WeakPolarHBondContact OG1-CG 3.27Å; E863-K900 IonicContact OE1-NZ 3.51Å; E863-K900 PolarHBondContact OE1-NZ 3.22Å; E863-K900 IonicContact OE2-NZ 3.01Å; E863-K900 PolarHBondContact OE2-NZ 3.25Å; E863-E929 WeakPolarHBondContact CA-OE2 3.28Å; E863-E929 WeakPolarHBondContact CB-OE2 3.37Å; E863-E929 PolarHBondContact N-OE1 3.19Å; E863-E929 PolarHBondContact N-OE2 3.13Å
864N84.8Confident86.1Confident19.75 Ų19.7543.1 Ų43.111%0.10621%0.21CC..SBendtrans-81.2124.1174.6-170.8-11.5000112.2M866 V867 Q868 E929 K1073N864-M866 VanDerWaalsContact C-N 3.3Å; N864-M866 PolarHBondContact O-N 3.08Å; N864-M866 VanDerWaalsContact O-N 3.15Å; N864-M866 WeakPolarHBondContact OD1-CB 3.38Å; N864-M866 PolarHBondContact OD1-N 3.15Å; N864-V867 HydrophobicContact CB-CB 4.37Å; N864-V867 HydrophobicContact CB-CG2 4.11Å; N864-V867 WeakPolarHBondContact O-CB 3.24Å; N864-V867 PolarHBondContact O-N 3.15Å; N864-V867 VanDerWaalsContact O-N 3.08Å; N864-Q868 PolarHBondContact O-N 3.05Å; N864-Q868 VanDerWaalsContact O-N 3.07Å; N864-E929 VanDerWaalsContact CB-OE2 3.29Å; N864-E929 WeakPolarHBondContact CB-OE2 3.29Å; N864-E929 PolarHBondContact N-OE2 3.19Å; N864-K1073 PolarHBondContact OD1-NZ 3.42Å; N864-K1073 VanDerWaalsContact OD1-NZ 3.14Å
865E86.4Confident86.6Confident81.5 Ų81.541.7 Ų41.738%0.38120%0.203SC..Hα-helixtrans-55.7-30.6179.3-151.9-164.6154.100113.9Q868 R869E865-Q868 PolarHBondContact O-N 2.86Å; E865-R869 VanDerWaalsContact CD-CZ 3.45Å; E865-R869 VanDerWaalsContact CD-NH1 3.3Å; E865-R869 VanDerWaalsContact CG-NH1 3.3Å; E865-R869 WeakPolarHBondContact O-CG 3.31Å; E865-R869 PolarHBondContact O-N 2.97Å; E865-R869 PolarHBondContact O-NH1 3.33Å; E865-R869 IonicContact OE1-CZ 3.05Å; E865-R869 IonicContact OE1-NH1 3.28Å; E865-R869 PolarHBondContact OE1-NH1 3.29Å; E865-R869 IonicContact OE1-NH2 3.03Å; E865-R869 PolarHBondContact OE1-NH2 3.2Å; E865-R869 IonicContact OE2-CZ 3.48Å; E865-R869 IonicContact OE2-NH1 2.78Å; E865-R869 PolarHBondContact OE2-NH1 3.49Å; E865-R869 IonicContact OE2-NH2 2.75Å; E865-R869 PolarHBondContact OE2-NH2 3.36Å
866M88.1Confident86.7Confident1.25 Ų1.2541.3 Ų41.31%0.00620%0.201CC..Hα-helixtrans-72.6-42.6176.5-91.5-38.6-91.100112.1N864 Q868 R869 C870 W930 A1064 L1070 K1073 V1074 L1077N864-M866 VanDerWaalsContact C-N 3.3Å; N864-M866 PolarHBondContact O-N 3.08Å; N864-M866 VanDerWaalsContact O-N 3.15Å; N864-M866 WeakPolarHBondContact OD1-CB 3.38Å; N864-M866 PolarHBondContact OD1-N 3.15Å; M866-Q868 VanDerWaalsContact C-N 3.3Å; M866-Q868 PolarHBondContact O-N 2.98Å; M866-R869 PolarHBondContact O-N 3.23Å; M866-C870 PolarHBondContact O-N 3.06Å; M866-C870 VanDerWaalsContact O-N 3.07Å; M866-C870 PolarHBondContact O-SG 3.19Å; M866-W930 HydrophobicContact CB-CE3 4.27Å; M866-W930 HydrophobicContact CB-CZ3 4.03Å; M866-W930 HydrophobicContact CG-CH2 4.38Å; M866-W930 HydrophobicContact CG-CZ3 3.91Å; M866-A1064 HydrophobicContact CE-CB 4.02Å; M866-A1064 HydrophobicContact SD-CB 4.22Å; M866-L1070 HydrophobicContact SD-CD1 4.43Å; M866-K1073 HydrophobicContact CG-CB 3.7Å; M866-K1073 HydrophobicContact CG-CD 4.2Å; M866-K1073 HydrophobicContact SD-CB 4.44Å; M866-V1074 HydrophobicContact CE-CG2 4.27Å; M866-L1077 HydrophobicContact CE-CB 4.05Å; M866-L1077 HydrophobicContact CE-CD2 3.53Å; M866-L1077 HydrophobicContact CE-CG 4.4Å
867V90Very high86.8Confident0 Ų040.8 Ų40.80%020%0.198CC..Hα-helixtrans-61.5-43173.5179.20000109.6A862 N864 R869 C870 L871 W890 W930 F933A862-V867 HydrophobicContact CB-CB 4.1Å; A862-V867 HydrophobicContact CB-CG1 3.87Å; N864-V867 HydrophobicContact CB-CB 4.37Å; N864-V867 HydrophobicContact CB-CG2 4.11Å; N864-V867 WeakPolarHBondContact O-CB 3.24Å; N864-V867 PolarHBondContact O-N 3.15Å; N864-V867 VanDerWaalsContact O-N 3.08Å; V867-R869 VanDerWaalsContact C-N 3.33Å; V867-R869 PolarHBondContact O-N 3.16Å; V867-C870 PolarHBondContact O-N 3.1Å; V867-L871 HydrophobicContact CG1-CD1 3.97Å; V867-L871 HydrophobicContact CG1-CG 4.27Å; V867-L871 WeakPolarHBondContact O-CB 3.48Å; V867-L871 VanDerWaalsContact O-CG 3.31Å; V867-L871 WeakPolarHBondContact O-CG 3.37Å; V867-L871 PolarHBondContact O-N 3.39Å; V867-W890 HydrophobicContact CG1-CZ2 3.9Å; V867-W930 HydrophobicContact CG2-CE3 3.67Å; V867-W930 HydrophobicContact CG2-CZ3 4.1Å; V867-F933 HydrophobicContact CB-CG 4.48Å; V867-F933 HydrophobicContact CG1-CB 4.28Å; V867-F933 HydrophobicContact CG1-CD1 4.44Å; V867-F933 HydrophobicContact CG1-CD2 3.68Å; V867-F933 HydrophobicContact CG1-CE2 4.1Å; V867-F933 HydrophobicContact CG1-CG 3.87Å; V867-F933 HydrophobicContact CG2-CB 3.94Å; V867-F933 HydrophobicContact CG2-CD1 4.24Å; V867-F933 HydrophobicContact CG2-CG 4.04Å
868Q89.7Confident86.9Confident108 Ų10835.2 Ų35.251%0.50518%0.176SC..Hα-helixtrans-59.7-41.3176.3-168.7179.44.300112.6A862 N864 E865 M866 L871 T872A862-Q868 HydrophobicContact CB-CB 4.28Å; N864-Q868 PolarHBondContact O-N 3.05Å; N864-Q868 VanDerWaalsContact O-N 3.07Å; E865-Q868 PolarHBondContact O-N 2.86Å; M866-Q868 VanDerWaalsContact C-N 3.3Å; M866-Q868 PolarHBondContact O-N 2.98Å; Q868-L871 PolarHBondContact O-N 2.92Å; Q868-T872 WeakPolarHBondContact O-CB 3.4Å; Q868-T872 WeakPolarHBondContact O-CG2 3.43Å; Q868-T872 PolarHBondContact O-N 3.25Å; Q868-T872 PolarHBondContact O-OG1 3.13Å
869R89.1Confident86.9Confident53 Ų5336.3 Ų36.320%0.218%0.184CC..Hα-helixtrans-62.8-47.4173.4-77.9-173.5-18082.48112.2E865 M866 V867 L871 T872 S873 T1060 L1070E865-R869 VanDerWaalsContact CD-CZ 3.45Å; E865-R869 VanDerWaalsContact CD-NH1 3.3Å; E865-R869 VanDerWaalsContact CG-NH1 3.3Å; E865-R869 WeakPolarHBondContact O-CG 3.31Å; E865-R869 PolarHBondContact O-N 2.97Å; E865-R869 PolarHBondContact O-NH1 3.33Å; E865-R869 IonicContact OE1-CZ 3.05Å; E865-R869 IonicContact OE1-NH1 3.28Å; E865-R869 PolarHBondContact OE1-NH1 3.29Å; E865-R869 IonicContact OE1-NH2 3.03Å; E865-R869 PolarHBondContact OE1-NH2 3.2Å; E865-R869 IonicContact OE2-CZ 3.48Å; E865-R869 IonicContact OE2-NH1 2.78Å; E865-R869 PolarHBondContact OE2-NH1 3.49Å; E865-R869 IonicContact OE2-NH2 2.75Å; E865-R869 PolarHBondContact OE2-NH2 3.36Å; M866-R869 PolarHBondContact O-N 3.23Å; V867-R869 VanDerWaalsContact C-N 3.33Å; V867-R869 PolarHBondContact O-N 3.16Å; R869-L871 PolarHBondContact O-N 3.21Å; R869-T872 WeakPolarHBondContact CA-OG1 3.39Å; R869-T872 WeakPolarHBondContact O-CA 3.31Å; R869-T872 WeakPolarHBondContact O-CB 3.29Å; R869-T872 PolarHBondContact O-N 3.24Å; R869-T872 VanDerWaalsContact O-N 3.11Å; R869-T872 PolarHBondContact O-OG1 3.45Å; R869-S873 PolarHBondContact O-N 3.22Å; R869-S873 PolarHBondContact O-OG 2.9Å; R869-T1060 HydrophobicContact CB-CG2 4.1Å; R869-L1070 VanDerWaalsContact CZ-CD1 3.47Å; R869-L1070 VanDerWaalsContact NH1-CD1 3.26Å
870C92.2Very high87Confident0 Ų037.6 Ų37.60%019%0.187CC..Hα-helixtrans-60.8-43.6179.1-64.80000111.7M866 V867 T872 S873 L874 F933 F1057M866-C870 PolarHBondContact O-N 3.06Å; M866-C870 VanDerWaalsContact O-N 3.07Å; M866-C870 PolarHBondContact O-SG 3.19Å; V867-C870 PolarHBondContact O-N 3.1Å; C870-T872 VanDerWaalsContact C-N 3.31Å; C870-T872 PolarHBondContact O-N 2.98Å; C870-S873 PolarHBondContact O-N 3.43Å; C870-S873 PolarHBondContact O-OG 3.01Å; C870-S873 VanDerWaalsContact O-OG 3.09Å; C870-L874 WeakPolarHBondContact O-CB 3.43Å; C870-L874 VanDerWaalsContact O-CG 3.24Å; C870-L874 WeakPolarHBondContact O-CG 3.27Å; C870-L874 PolarHBondContact O-N 3.2Å; C870-F933 HydrophobicContact CB-CE1 3.76Å; C870-F933 HydrophobicContact CB-CZ 3.74Å; C870-F1057 HydrophobicContact CB-CD1 4.18Å; C870-F1057 HydrophobicContact CB-CE1 3.69Å; C870-F1057 HydrophobicContact CB-CZ 4.35Å
871L90.9Very high86.9Confident8.5 Ų8.540.3 Ų40.35%0.04520%0.199CC..Hα-helixtrans-62.2-40.2173.3-67.7171.4000111.7I861 A862 V867 Q868 R869 S873 L874 N875 L886 F887 W890 F933I861-L871 HydrophobicContact CD1-CD1 4.41Å; I861-L871 HydrophobicContact CG1-CD1 4.08Å; I861-L871 HydrophobicContact CG2-CD1 4.39Å; A862-L871 HydrophobicContact CB-CD1 4.22Å; V867-L871 HydrophobicContact CG1-CD1 3.97Å; V867-L871 HydrophobicContact CG1-CG 4.27Å; V867-L871 WeakPolarHBondContact O-CB 3.48Å; V867-L871 VanDerWaalsContact O-CG 3.31Å; V867-L871 WeakPolarHBondContact O-CG 3.37Å; V867-L871 PolarHBondContact O-N 3.39Å; Q868-L871 PolarHBondContact O-N 2.92Å; R869-L871 PolarHBondContact O-N 3.21Å; L871-S873 VanDerWaalsContact C-N 3.34Å; L871-S873 PolarHBondContact O-N 2.98Å; L871-L874 PolarHBondContact O-N 3.12Å; L871-N875 WeakPolarHBondContact O-CB 3.37Å; L871-N875 PolarHBondContact O-N 3.02Å; L871-N875 VanDerWaalsContact O-N 3.08Å; L871-L886 HydrophobicContact CD2-CD2 4.22Å; L871-F887 HydrophobicContact CB-CE1 4.29Å; L871-F887 HydrophobicContact CB-CE2 4.43Å; L871-F887 HydrophobicContact CB-CZ 3.85Å; L871-F887 HydrophobicContact CD2-CD1 3.65Å; L871-F887 HydrophobicContact CD2-CD2 4.39Å; L871-F887 HydrophobicContact CD2-CE1 3.63Å; L871-F887 HydrophobicContact CD2-CE2 4.02Å; L871-F887 HydrophobicContact CD2-CZ 4.13Å; L871-F887 VanDerWaalsContact O-CZ 3.26Å; L871-F887 WeakPolarHBondContact O-CZ 3.4Å; L871-W890 HydrophobicContact CD2-CG 4.43Å; L871-F933 HydrophobicContact CD2-CE2 3.98Å; L871-F933 HydrophobicContact CG-CE2 4.33Å
872T88.7Confident87.1Confident66 Ų6638.1 Ų38.141%0.40519%0.189SC..Hα-helixtrans-65.2-39.9178.1-37.20000112.2Q868 R869 C870 N875 R876Q868-T872 WeakPolarHBondContact O-CB 3.4Å; Q868-T872 WeakPolarHBondContact O-CG2 3.43Å; Q868-T872 PolarHBondContact O-N 3.25Å; Q868-T872 PolarHBondContact O-OG1 3.13Å; R869-T872 WeakPolarHBondContact CA-OG1 3.39Å; R869-T872 WeakPolarHBondContact O-CA 3.31Å; R869-T872 WeakPolarHBondContact O-CB 3.29Å; R869-T872 PolarHBondContact O-N 3.24Å; R869-T872 VanDerWaalsContact O-N 3.11Å; R869-T872 PolarHBondContact O-OG1 3.45Å; C870-T872 VanDerWaalsContact C-N 3.31Å; C870-T872 PolarHBondContact O-N 2.98Å; T872-N875 WeakPolarHBondContact O-CB 3.36Å; T872-N875 PolarHBondContact O-N 3.26Å; T872-R876 WeakPolarHBondContact O-CG 3.4Å; T872-R876 PolarHBondContact O-N 3.15Å
873S89.7Confident87.3Confident1.25 Ų1.2537.6 Ų37.61%0.00919%0.185CC..Hα-helixtrans-70.4-41176.864.20000112.5R869 C870 L871 N875 R876 C877 A1056 T1060R869-S873 PolarHBondContact O-N 3.22Å; R869-S873 PolarHBondContact O-OG 2.9Å; C870-S873 PolarHBondContact O-N 3.43Å; C870-S873 PolarHBondContact O-OG 3.01Å; C870-S873 VanDerWaalsContact O-OG 3.09Å; L871-S873 VanDerWaalsContact C-N 3.34Å; L871-S873 PolarHBondContact O-N 2.98Å; S873-N875 VanDerWaalsContact C-N 3.27Å; S873-N875 PolarHBondContact O-N 2.97Å; S873-R876 PolarHBondContact O-N 2.94Å; S873-C877 WeakPolarHBondContact O-CB 3.33Å; S873-C877 PolarHBondContact O-N 3.16Å; S873-C877 PolarHBondContact O-SG 3.11Å; S873-C877 VanDerWaalsContact O-SG 3.34Å; S873-A1056 PolarHBondContact OG-O 3.48Å; S873-T1060 VanDerWaalsContact CB-CG2 3.45Å; S873-T1060 WeakPolarHBondContact CB-OG1 3.39Å; S873-T1060 WeakPolarHBondContact OG-CG2 3.4Å; S873-T1060 PolarHBondContact OG-OG1 2.81Å; S873-T1060 VanDerWaalsContact OG-OG1 3.08Å
874L90.2Very high87.5Confident0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-59-38.4173.1-69174.7000112.4C870 L871 R876 C877 L878 L886 F887 F933 I937 I1053 A1056 F1057C870-L874 WeakPolarHBondContact O-CB 3.43Å; C870-L874 VanDerWaalsContact O-CG 3.24Å; C870-L874 WeakPolarHBondContact O-CG 3.27Å; C870-L874 PolarHBondContact O-N 3.2Å; L871-L874 PolarHBondContact O-N 3.12Å; L874-R876 PolarHBondContact O-N 3.28Å; L874-C877 PolarHBondContact O-N 3.12Å; L874-L878 HydrophobicContact CB-CD1 4.16Å; L874-L878 HydrophobicContact CB-CG 4.49Å; L874-L878 HydrophobicContact CD2-CD1 4.01Å; L874-L878 HydrophobicContact CD2-CG 4.33Å; L874-L878 VanDerWaalsContact O-CB 3.29Å; L874-L878 WeakPolarHBondContact O-CB 3.36Å; L874-L878 WeakPolarHBondContact O-CG 3.46Å; L874-L878 PolarHBondContact O-N 3.22Å; L874-L886 HydrophobicContact CD1-CD1 4.17Å; L874-L886 HydrophobicContact CD1-CD2 3.73Å; L874-F887 HydrophobicContact CB-CE1 4.22Å; L874-F887 HydrophobicContact CB-CZ 4.27Å; L874-F933 HydrophobicContact CD1-CZ 4.44Å; L874-I937 HydrophobicContact CD1-CD1 4.27Å; L874-I1053 HydrophobicContact CD2-CB 4.19Å; L874-I1053 HydrophobicContact CD2-CG1 3.8Å; L874-I1053 HydrophobicContact CD2-CG2 4.1Å; L874-A1056 HydrophobicContact CD2-CB 4.3Å; L874-F1057 HydrophobicContact CD1-CE1 3.63Å; L874-F1057 HydrophobicContact CD1-CZ 3.88Å; L874-F1057 HydrophobicContact CD2-CD1 4.4Å; L874-F1057 HydrophobicContact CD2-CE1 3.88Å; L874-F1057 HydrophobicContact CD2-CZ 4.28Å; L874-F1057 HydrophobicContact CG-CD1 4.44Å; L874-F1057 HydrophobicContact CG-CE1 3.68Å; L874-F1057 HydrophobicContact CG-CZ 4.36Å
875N87.5Confident87.6Confident37.25 Ų37.2532.8 Ų32.820%0.19916%0.163CC..Hα-helixtrans-65.3-23.6176-16416.2000113T594 L871 T872 S873 F887 K1214T594-N875 WeakPolarHBondContact CG2-OD1 3.41Å; L871-N875 WeakPolarHBondContact O-CB 3.37Å; L871-N875 PolarHBondContact O-N 3.02Å; L871-N875 VanDerWaalsContact O-N 3.08Å; T872-N875 WeakPolarHBondContact O-CB 3.36Å; T872-N875 PolarHBondContact O-N 3.26Å; S873-N875 VanDerWaalsContact C-N 3.27Å; S873-N875 PolarHBondContact O-N 2.97Å; N875-F887 HydrophobicContact CB-CE2 3.86Å; N875-F887 HydrophobicContact CB-CZ 3.77Å; N875-K1214 WeakPolarHBondContact O-CD 3.47Å; N875-K1214 PolarHBondContact O-NZ 2.87Å; N875-K1214 PolarHBondContact OD1-NZ 3.03Å
876R84.9Confident87.7Confident71.5 Ų71.529 Ų2927%0.2715%0.145SC..Hα-helixtrans-90.4-34.4177-63.9-62.1-177.2-179.80.1112.8T872 S873 L874 V1160 T1161 V1163 T1211 S1216T872-R876 WeakPolarHBondContact O-CG 3.4Å; T872-R876 PolarHBondContact O-N 3.15Å; S873-R876 PolarHBondContact O-N 2.94Å; L874-R876 PolarHBondContact O-N 3.28Å; R876-V1160 HydrophobicContact CB-CG1 4.36Å; R876-T1161 WeakPolarHBondContact CD-O 3.13Å; R876-T1161 WeakPolarHBondContact CG-O 3.31Å; R876-V1163 HydrophobicContact CB-CG2 4.06Å; R876-V1163 HydrophobicContact CG-CG2 4.24Å; R876-T1211 HydrophobicContact CB-CG2 4.41Å; R876-T1211 VanDerWaalsContact O-CB 3.29Å; R876-T1211 WeakPolarHBondContact O-CB 3.24Å; R876-T1211 VanDerWaalsContact O-CG2 3.27Å; R876-T1211 WeakPolarHBondContact O-CG2 3.27Å; R876-S1216 PolarHBondContact NH1-OG 3.5Å; R876-S1216 PolarHBondContact NH2-OG 2.89Å
877C86Confident87.8Confident0.25 Ų0.2529.6 Ų29.60%0.00215%0.148CC..Hα-helixtrans-92.3-29.9-173.5-60.60000114.2S873 L874 T1052 A1056 W1209 F1212S873-C877 WeakPolarHBondContact O-CB 3.33Å; S873-C877 PolarHBondContact O-N 3.16Å; S873-C877 PolarHBondContact O-SG 3.11Å; S873-C877 VanDerWaalsContact O-SG 3.34Å; L874-C877 PolarHBondContact O-N 3.12Å; C877-T1052 HydrophobicContact CB-CG2 3.87Å; C877-T1052 WeakPolarHBondContact O-CG2 3.38Å; C877-A1056 HydrophobicContact CB-CB 3.85Å; C877-A1056 VanDerWaalsContact SG-CB 3.57Å; C877-W1209 HydrophobicContact CB-CH2 4.34Å; C877-W1209 HydrophobicContact CB-CZ3 3.91Å; C877-F1212 WeakPolarHBondContact O-CD2 3.33Å; C877-F1212 WeakPolarHBondContact O-CE2 3.48Å
878L86.6Confident87.6Confident5.5 Ų5.530.1 Ų30.13%0.02915%0.152CC..SBendtrans-89.8155.9-179.1-63.9178000112.9L874 L886 H1049 T1052 I1053L874-L878 HydrophobicContact CB-CD1 4.16Å; L874-L878 HydrophobicContact CB-CG 4.49Å; L874-L878 HydrophobicContact CD2-CD1 4.01Å; L874-L878 HydrophobicContact CD2-CG 4.33Å; L874-L878 VanDerWaalsContact O-CB 3.29Å; L874-L878 WeakPolarHBondContact O-CB 3.36Å; L874-L878 WeakPolarHBondContact O-CG 3.46Å; L874-L878 PolarHBondContact O-N 3.22Å; L878-L886 HydrophobicContact CD1-CD1 4.28Å; L878-L886 HydrophobicContact CD1-CD2 4.33Å; L878-H1049 HydrophobicContact CD2-CB 3.55Å; L878-T1052 HydrophobicContact CD2-CG2 3.98Å; L878-I1053 HydrophobicContact CD1-CG1 4.44Å; L878-I1053 HydrophobicContact CD2-CG1 4.19Å
879P85.8Confident87.4Confident30.25 Ų30.2527.6 Ų27.620%0.19614%0.138CC..  trans-56.6155.2166.2-24.835.2000113.1D881 A882 S883 F1212P879-D881 VanDerWaalsContact C-N 3.3Å; P879-D881 PolarHBondContact O-N 3.01Å; P879-A882 HydrophobicContact CB-CB 4.39Å; P879-A882 PolarHBondContact O-N 3.07Å; P879-S883 WeakPolarHBondContact O-CB 3.38Å; P879-S883 PolarHBondContact O-N 3.15Å; P879-S883 PolarHBondContact O-OG 3.17Å; P879-F1212 HydrophobicContact CG-CD1 4.35Å; P879-F1212 HydrophobicContact CG-CD2 4.26Å; P879-F1212 HydrophobicContact CG-CE1 4.11Å; P879-F1212 HydrophobicContact CG-CE2 3.86Å; P879-F1212 HydrophobicContact CG-CG 4.38Å; P879-F1212 HydrophobicContact CG-CZ 3.86Å
880E82.5Confident87.4Confident60.25 Ų60.2525.1 Ų25.128%0.28213%0.129SC..Hα-helixtrans-56.2-47.4-178.1-168.6-177.4152.100112.3T596 R619 A882 S883 L884 K1214T596-E880 HydrophobicContact CG2-CG 4.07Å; T596-E880 WeakPolarHBondContact CG2-OE1 3.3Å; R619-E880 IonicContact CZ-OE1 3.12Å; R619-E880 VanDerWaalsContact CZ-OE1 3.26Å; R619-E880 IonicContact CZ-OE2 3.8Å; R619-E880 IonicContact NH1-OE1 3.35Å; R619-E880 PolarHBondContact NH1-OE1 3.15Å; R619-E880 IonicContact NH1-OE2 2.76Å; R619-E880 VanDerWaalsContact NH2-CD 3.29Å; R619-E880 IonicContact NH2-OE1 3.66Å; R619-E880 PolarHBondContact NH2-OE1 3.05Å; R619-E880 IonicContact NH2-OE2 3.01Å; R619-E880 PolarHBondContact NH2-OE2 3.27Å; E880-A882 PolarHBondContact O-N 2.85Å; E880-S883 WeakPolarHBondContact CA-OG 3.38Å; E880-S883 PolarHBondContact O-N 3.13Å; E880-S883 PolarHBondContact O-OG 3.26Å; E880-S883 VanDerWaalsContact O-OG 3.07Å; E880-L884 HydrophobicContact CG-CD1 4.21Å; E880-L884 VanDerWaalsContact O-CB 3.31Å; E880-L884 WeakPolarHBondContact O-CB 3.42Å; E880-L884 WeakPolarHBondContact O-CD1 3.37Å; E880-L884 VanDerWaalsContact O-CG 3.3Å; E880-L884 WeakPolarHBondContact O-CG 3.31Å; E880-L884 PolarHBondContact O-N 3.02Å; E880-K1214 IonicContact OE2-NZ 2.82Å
881D82.6Confident87.2Confident114.75 Ų114.7525.4 Ų25.461%0.61413%0.13SC*.Hα-helixtrans-67.5-40.1-178.3-65.4-55.8000113.5K673 P879 L884 L885K673-D881 PolarHBondContact NZ-O 2.94Å; P879-D881 VanDerWaalsContact C-N 3.3Å; P879-D881 PolarHBondContact O-N 3.01Å; D881-L884 PolarHBondContact O-N 2.86Å; D881-L885 VanDerWaalsContact O-CB 3.29Å; D881-L885 WeakPolarHBondContact O-CB 3.43Å; D881-L885 PolarHBondContact O-N 3.15Å
882A86.2Confident86.9Confident6.5 Ų6.527 Ų275%0.05414%0.138CC..Hα-helixtrans-69.2-42.3178.300000111.6P879 E880 L885 L886 I1045P879-A882 HydrophobicContact CB-CB 4.39Å; P879-A882 PolarHBondContact O-N 3.07Å; E880-A882 PolarHBondContact O-N 2.85Å; A882-L885 PolarHBondContact O-N 3.23Å; A882-L886 WeakPolarHBondContact O-CB 3.33Å; A882-L886 PolarHBondContact O-N 3.08Å; A882-I1045 HydrophobicContact CB-CG2 3.86Å
883S88.3Confident86.5Confident1.25 Ų1.2526.9 Ų26.91%0.00913%0.134CC..Hα-helixtrans-65.8-43.2174.449.80000112.1T594 P879 E880 L885 L886 F887 K1214T594-S883 WeakPolarHBondContact CG2-OG 3.41Å; P879-S883 WeakPolarHBondContact O-CB 3.38Å; P879-S883 PolarHBondContact O-N 3.15Å; P879-S883 PolarHBondContact O-OG 3.17Å; E880-S883 WeakPolarHBondContact CA-OG 3.38Å; E880-S883 PolarHBondContact O-N 3.13Å; E880-S883 PolarHBondContact O-OG 3.26Å; E880-S883 VanDerWaalsContact O-OG 3.07Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.19Å; S883-L886 PolarHBondContact O-N 3.14Å; S883-F887 WeakPolarHBondContact O-CB 3.29Å; S883-F887 VanDerWaalsContact O-CD2 3.23Å; S883-F887 WeakPolarHBondContact O-CD2 3.39Å; S883-F887 WeakPolarHBondContact O-CG 3.36Å; S883-F887 PolarHBondContact O-N 3.15Å; S883-K1214 PolarHBondContact OG-NZ 3.06Å
884L86.4Confident86.1Confident22 Ų2227.2 Ų27.212%0.11514%0.137CC..Hα-helixtrans-59.8-40.9173.5-80.2171.1000112.5D592 T594 T670 K673 E880 D881 A888D592-L884 HydrophobicContact CB-CD2 4.43Å; T594-L884 HydrophobicContact CG2-CB 4.4Å; T594-L884 HydrophobicContact CG2-CD2 3.94Å; T594-L884 HydrophobicContact CG2-CG 3.69Å; T594-L884 VanDerWaalsContact OG1-CD2 3.28Å; T594-L884 WeakPolarHBondContact OG1-CD2 3.4Å; T594-L884 WeakPolarHBondContact OG1-CG 3.27Å; T670-L884 HydrophobicContact CG2-CD2 4.01Å; K673-L884 HydrophobicContact CD-CB 4.26Å; E880-L884 HydrophobicContact CG-CD1 4.21Å; E880-L884 VanDerWaalsContact O-CB 3.31Å; E880-L884 WeakPolarHBondContact O-CB 3.42Å; E880-L884 WeakPolarHBondContact O-CD1 3.37Å; E880-L884 VanDerWaalsContact O-CG 3.3Å; E880-L884 WeakPolarHBondContact O-CG 3.31Å; E880-L884 PolarHBondContact O-N 3.02Å; D881-L884 PolarHBondContact O-N 2.86Å; L884-A888 VanDerWaalsContact O-CB 3.32Å; L884-A888 WeakPolarHBondContact O-CB 3.41Å; L884-A888 PolarHBondContact O-N 3.03Å; L884-A888 VanDerWaalsContact O-N 3.1Å
885L87.4Confident85.6Confident20 Ų2028.5 Ų28.511%0.10514%0.144CC..Hα-helixtrans-62.9-51.2176.2178.663.7000111.6K673 D881 A882 S883 F887 A888 R889 D1042 I1045K673-L885 VanDerWaalsContact NZ-CB 3.34Å; D881-L885 VanDerWaalsContact O-CB 3.29Å; D881-L885 WeakPolarHBondContact O-CB 3.43Å; D881-L885 PolarHBondContact O-N 3.15Å; A882-L885 PolarHBondContact O-N 3.23Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.19Å; L885-F887 PolarHBondContact O-N 3.27Å; L885-A888 PolarHBondContact O-N 3.31Å; L885-R889 HydrophobicContact CD1-CG 4.43Å; L885-R889 WeakPolarHBondContact O-CG 3.29Å; L885-R889 PolarHBondContact O-N 3.07Å; L885-D1042 HydrophobicContact CD1-CB 4.31Å; L885-D1042 VanDerWaalsContact CD1-CG 3.45Å; L885-D1042 WeakPolarHBondContact CD1-OD2 3.09Å; L885-D1042 HydrophobicContact CD2-CB 3.94Å; L885-D1042 WeakPolarHBondContact CD2-OD1 3.34Å; L885-D1042 HydrophobicContact CG-CB 4.47Å; L885-I1045 HydrophobicContact CD2-CB 4.3Å; L885-I1045 HydrophobicContact CD2-CD1 4.21Å; L885-I1045 HydrophobicContact CD2-CG2 4.35Å
886L88.5Confident85Confident1.5 Ų1.528 Ų281%0.00815%0.145CC..Hα-helixtrans-61-45.3-179.3-169.197.5000111.3L871 L874 L878 A882 S883 R889 W890 F936 I937 A940 V1046L871-L886 HydrophobicContact CD2-CD2 4.22Å; L874-L886 HydrophobicContact CD1-CD1 4.17Å; L874-L886 HydrophobicContact CD1-CD2 3.73Å; L878-L886 HydrophobicContact CD1-CD1 4.28Å; L878-L886 HydrophobicContact CD1-CD2 4.33Å; A882-L886 WeakPolarHBondContact O-CB 3.33Å; A882-L886 PolarHBondContact O-N 3.08Å; S883-L886 PolarHBondContact O-N 3.14Å; L886-R889 PolarHBondContact O-N 3.23Å; L886-W890 VanDerWaalsContact O-CB 3.3Å; L886-W890 WeakPolarHBondContact O-CB 3.36Å; L886-W890 PolarHBondContact O-N 3.12Å; L886-F936 HydrophobicContact CD1-CE1 3.85Å; L886-F936 HydrophobicContact CD1-CZ 3.76Å; L886-F936 HydrophobicContact CD2-CE1 3.87Å; L886-F936 HydrophobicContact CD2-CZ 4.43Å; L886-F936 HydrophobicContact CG-CE1 3.96Å; L886-F936 HydrophobicContact CG-CZ 4.08Å; L886-F936 WeakPolarHBondContact O-CZ 3.41Å; L886-I937 HydrophobicContact CD1-CD1 4.3Å; L886-I937 HydrophobicContact CD2-CD1 4.24Å; L886-I937 HydrophobicContact CG-CD1 4.5Å; L886-A940 HydrophobicContact CD1-CB 4.16Å; L886-V1046 HydrophobicContact CD1-CG1 3.95Å; L886-V1046 HydrophobicContact CD1-CG2 3.92Å
887F89.4Confident84.2Confident13.25 Ų13.2528.7 Ų28.76%0.05816%0.158CC..Hα-helixtrans-69-35.8-179.7-66.7-38.4000112.8I593 T594 I861 L871 L874 N875 S883 L885 W890 Y891I593-F887 HydrophobicContact CG2-CB 4.15Å; I593-F887 HydrophobicContact CG2-CD2 3.68Å; I593-F887 HydrophobicContact CG2-CE2 4.43Å; I593-F887 HydrophobicContact CG2-CG 4.29Å; T594-F887 HydrophobicContact CG2-CD2 4.23Å; T594-F887 HydrophobicContact CG2-CE2 4.25Å; I861-F887 HydrophobicContact CD1-CB 4.25Å; I861-F887 HydrophobicContact CD1-CD1 3.41Å; I861-F887 VanDerWaalsContact CD1-CD1 3.41Å; I861-F887 HydrophobicContact CD1-CE1 3.76Å; I861-F887 HydrophobicContact CD1-CG 4.36Å; L871-F887 HydrophobicContact CB-CE1 4.29Å; L871-F887 HydrophobicContact CB-CE2 4.43Å; L871-F887 HydrophobicContact CB-CZ 3.85Å; L871-F887 HydrophobicContact CD2-CD1 3.65Å; L871-F887 HydrophobicContact CD2-CD2 4.39Å; L871-F887 HydrophobicContact CD2-CE1 3.63Å; L871-F887 HydrophobicContact CD2-CE2 4.02Å; L871-F887 HydrophobicContact CD2-CZ 4.13Å; L871-F887 VanDerWaalsContact O-CZ 3.26Å; L871-F887 WeakPolarHBondContact O-CZ 3.4Å; L874-F887 HydrophobicContact CB-CE1 4.22Å; L874-F887 HydrophobicContact CB-CZ 4.27Å; N875-F887 HydrophobicContact CB-CE2 3.86Å; N875-F887 HydrophobicContact CB-CZ 3.77Å; S883-F887 WeakPolarHBondContact O-CB 3.29Å; S883-F887 VanDerWaalsContact O-CD2 3.23Å; S883-F887 WeakPolarHBondContact O-CD2 3.39Å; S883-F887 WeakPolarHBondContact O-CG 3.36Å; S883-F887 PolarHBondContact O-N 3.15Å; L885-F887 PolarHBondContact O-N 3.27Å; F887-W890 PolarHBondContact O-N 3.25Å; F887-Y891 VanDerWaalsContact O-CB 3.3Å; F887-Y891 WeakPolarHBondContact O-CB 3.27Å; F887-Y891 PolarHBondContact O-N 3.18Å
888A86.1Confident83.2Confident12 Ų1231.3 Ų31.310%0.09919%0.186CC..Hα-helixtrans-64.8-47.3173.800000111.4I675 L884 L885 W890 Y891 I892I675-A888 HydrophobicContact CG1-CB 4.5Å; L884-A888 VanDerWaalsContact O-CB 3.32Å; L884-A888 WeakPolarHBondContact O-CB 3.41Å; L884-A888 PolarHBondContact O-N 3.03Å; L884-A888 VanDerWaalsContact O-N 3.1Å; L885-A888 PolarHBondContact O-N 3.31Å; A888-W890 VanDerWaalsContact C-N 3.34Å; A888-W890 PolarHBondContact O-N 3.44Å; A888-Y891 PolarHBondContact O-N 3.03Å; A888-I892 WeakPolarHBondContact O-CD1 3.26Å; A888-I892 VanDerWaalsContact O-CG1 3.27Å; A888-I892 WeakPolarHBondContact O-CG1 3.36Å; A888-I892 PolarHBondContact O-N 2.9Å
889R87.1Confident82Confident54.5 Ų54.533 Ų3321%0.20620%0.196CC..Hα-helixtrans-62-44.2175.7-71.3179.991.7178.8-2.7111.5L885 L886 Y891 I892 I893 F936 R1038 D1040 D1042 S1043L885-R889 HydrophobicContact CD1-CG 4.43Å; L885-R889 WeakPolarHBondContact O-CG 3.29Å; L885-R889 PolarHBondContact O-N 3.07Å; L886-R889 PolarHBondContact O-N 3.23Å; R889-Y891 VanDerWaalsContact C-N 3.34Å; R889-Y891 PolarHBondContact O-N 2.87Å; R889-I892 PolarHBondContact O-N 3.03Å; R889-I893 WeakPolarHBondContact O-CG1 3.16Å; R889-I893 PolarHBondContact O-N 3.02Å; R889-I893 VanDerWaalsContact O-N 3.11Å; R889-F936 HydrophobicContact CB-CE2 3.75Å; R889-F936 HydrophobicContact CB-CZ 3.98Å; R889-R1038 VanDerWaalsContact NH2-NH1 3.17Å; R889-D1040 IonicContact NH1-OD2 3.51Å; R889-D1040 PolarHBondContact NH1-OD2 3.21Å; R889-D1042 IonicContact CZ-OD2 2.89Å; R889-D1042 IonicContact NE-OD2 3.87Å; R889-D1042 VanDerWaalsContact NH1-CB 3.33Å; R889-D1042 IonicContact NH2-OD2 2.66Å; R889-D1042 PolarHBondContact NH2-OD2 3.42Å; R889-S1043 PolarHBondContact NH1-OG 3.32Å; R889-S1043 VanDerWaalsContact NH1-OG 3.14Å; R889-S1043 PolarHBondContact NH2-OG 3Å
890W89.1Confident80.6Confident0 Ų037.6 Ų37.60%021%0.213CC..Hα-helixtrans-59.2-48.8176.5174.7-115.7000112.3I861 V867 L871 L886 F887 A888 I892 I893 S894 E929 R932 F933 F936I861-W890 PolarHBondContact O-NE1 2.92Å; V867-W890 HydrophobicContact CG1-CZ2 3.9Å; L871-W890 HydrophobicContact CD2-CG 4.43Å; L886-W890 VanDerWaalsContact O-CB 3.3Å; L886-W890 WeakPolarHBondContact O-CB 3.36Å; L886-W890 PolarHBondContact O-N 3.12Å; F887-W890 PolarHBondContact O-N 3.25Å; A888-W890 VanDerWaalsContact C-N 3.34Å; A888-W890 PolarHBondContact O-N 3.44Å; W890-I892 VanDerWaalsContact C-N 3.25Å; W890-I892 PolarHBondContact O-N 3.08Å; W890-I892 VanDerWaalsContact O-N 3.13Å; W890-I893 PolarHBondContact O-N 3.1Å; W890-I893 VanDerWaalsContact O-N 3.11Å; W890-S894 VanDerWaalsContact O-CB 3.27Å; W890-S894 WeakPolarHBondContact O-CB 3.37Å; W890-S894 PolarHBondContact O-N 3.14Å; W890-S894 PolarHBondContact O-OG 3.18Å; W890-S894 VanDerWaalsContact O-OG 3.08Å; W890-E929 HydrophobicContact CH2-CG 4.43Å; W890-E929 HydrophobicContact CZ2-CG 4.33Å; W890-R932 HydrophobicContact CH2-CB 4.36Å; W890-R932 HydrophobicContact CZ3-CB 4.41Å; W890-F933 HydrophobicContact CD2-CD2 4.13Å; W890-F933 AromaticContact CE2-CD2 3.97Å; W890-F933 HydrophobicContact CE3-CD2 4.12Å; W890-F933 HydrophobicContact CH2-CB 3.59Å; W890-F933 VanDerWaalsContact CH2-CB 3.46Å; W890-F933 AromaticContact CH2-CD2 3.97Å; W890-F933 HydrophobicContact CH2-CD2 4.11Å; W890-F933 HydrophobicContact CH2-CG 4.36Å; W890-F933 HydrophobicContact CZ2-CB 4.15Å; W890-F933 AromaticContact CZ2-CD2 3.95Å; W890-F933 HydrophobicContact CZ2-CD2 4.11Å; W890-F933 HydrophobicContact CZ2-CG 4.44Å; W890-F933 VanDerWaalsContact CZ3-CA 3.47Å; W890-F933 HydrophobicContact CZ3-CB 3.95Å; W890-F933 HydrophobicContact CZ3-CD2 4.13Å; W890-F933 HydrophobicContact CZ3-CG 4.47Å; W890-F936 HydrophobicContact CB-CD1 4.19Å; W890-F936 HydrophobicContact CB-CE1 3.66Å; W890-F936 HydrophobicContact CB-CZ 3.88Å; W890-F936 HydrophobicContact CD2-CD1 4.2Å; W890-F936 HydrophobicContact CD2-CE1 4.49Å; W890-F936 HydrophobicContact CE3-CB 3.86Å; W890-F936 AromaticContact CE3-CD1 3.51Å; W890-F936 HydrophobicContact CE3-CD1 3.51Å; W890-F936 VanDerWaalsContact CE3-CD1 3.46Å; W890-F936 HydrophobicContact CE3-CD2 4.42Å; W890-F936 HydrophobicContact CE3-CE1 4.2Å; W890-F936 AromaticContact CE3-CG 3.65Å; W890-F936 HydrophobicContact CE3-CG 3.65Å; W890-F936 HydrophobicContact CG-CD1 4.49Å; W890-F936 HydrophobicContact CG-CE1 4.36Å; W890-F936 HydrophobicContact CZ3-CB 3.91Å; W890-F936 HydrophobicContact CZ3-CD1 4.31Å; W890-F936 HydrophobicContact CZ3-CG 4.22Å
891Y86.9Confident78.7Confident7.75 Ų7.7539.1 Ų39.13%0.0323%0.23CC..Hα-helixtrans-61-31.3-177.9-173.7-92.6000112.8I6 I656 L668 I675 P859 I861 F887 A888 R889 S894 N895I6-Y891 HydrophobicContact CD1-CD1 3.13Å; I6-Y891 HydrophobicContact CD1-CE1 3.33Å; I6-Y891 HydrophobicContact CD1-CG 4.1Å; I6-Y891 WeakPolarHBondContact CD1-O 3.41Å; I656-Y891 HydrophobicContact CD1-CD1 4.31Å; I656-Y891 HydrophobicContact CD1-CD2 4.43Å; I656-Y891 HydrophobicContact CD1-CE1 3.89Å; I656-Y891 HydrophobicContact CD1-CE2 3.95Å; L668-Y891 HydrophobicContact CD1-CE1 4.12Å; I675-Y891 HydrophobicContact CG2-CD1 3.87Å; I675-Y891 HydrophobicContact CG2-CE1 4.4Å; I675-Y891 HydrophobicContact CG2-CG 4.5Å; P859-Y891 WeakPolarHBondContact CD-OH 3.34Å; P859-Y891 HydrophobicContact CG-CE2 4.31Å; P859-Y891 PolarHBondContact O-OH 3.44Å; P859-Y891 VanDerWaalsContact O-OH 3.13Å; I861-Y891 HydrophobicContact CB-CD2 4.32Å; I861-Y891 HydrophobicContact CG1-CD2 4.3Å; F887-Y891 VanDerWaalsContact O-CB 3.3Å; F887-Y891 WeakPolarHBondContact O-CB 3.27Å; F887-Y891 PolarHBondContact O-N 3.18Å; A888-Y891 PolarHBondContact O-N 3.03Å; R889-Y891 VanDerWaalsContact C-N 3.34Å; R889-Y891 PolarHBondContact O-N 2.87Å; Y891-S894 WeakPolarHBondContact CA-OG 3.32Å; Y891-S894 PolarHBondContact O-OG 3.25Å; Y891-N895 WeakPolarHBondContact CD2-ND2 3.44Å; Y891-N895 WeakPolarHBondContact O-CB 3.34Å; Y891-N895 PolarHBondContact O-N 3.16Å; Y891-N895 PolarHBondContact O-ND2 3.21Å
892I84Confident76.6Confident40.75 Ų40.7538 Ų3821%0.20923%0.232CC..Hα-helixtrans-70.2-48.5174.8-64.3163.4000110.8I6 I675 C676 A888 R889 W890 N895 A896I6-I892 HydrophobicContact CD1-CB 4.48Å; I6-I892 HydrophobicContact CD1-CG1 4.12Å; I6-I892 HydrophobicContact CG1-CG1 4.45Å; I675-I892 HydrophobicContact CG2-CD1 4.27Å; I675-I892 HydrophobicContact CG2-CG1 3.89Å; I675-I892 WeakPolarHBondContact O-CD1 3.23Å; C676-I892 HydrophobicContact CB-CD1 4.22Å; C676-I892 HydrophobicContact CB-CG1 4.14Å; A888-I892 WeakPolarHBondContact O-CD1 3.26Å; A888-I892 VanDerWaalsContact O-CG1 3.27Å; A888-I892 WeakPolarHBondContact O-CG1 3.36Å; A888-I892 PolarHBondContact O-N 2.9Å; R889-I892 PolarHBondContact O-N 3.03Å; W890-I892 VanDerWaalsContact C-N 3.25Å; W890-I892 PolarHBondContact O-N 3.08Å; W890-I892 VanDerWaalsContact O-N 3.13Å; I892-N895 CarbonylContact O-C 3.58Å; I892-N895 PolarHBondContact O-N 3Å; I892-A896 PolarHBondContact O-N 3.09Å; I892-A896 VanDerWaalsContact O-N 3.11Å
893I82.1Confident74.1Confident64.25 Ų64.2546.1 Ų46.133%0.32926%0.262SS..Hα-helixtrans-71.5-41.1-175.3-68.3165.4000111.6R889 W890 N895 F936R889-I893 WeakPolarHBondContact O-CG1 3.16Å; R889-I893 PolarHBondContact O-N 3.02Å; R889-I893 VanDerWaalsContact O-N 3.11Å; W890-I893 PolarHBondContact O-N 3.1Å; W890-I893 VanDerWaalsContact O-N 3.11Å; I893-N895 VanDerWaalsContact C-N 3.28Å; I893-N895 PolarHBondContact O-N 3.15Å; I893-F936 HydrophobicContact CD1-CD2 3.5Å; I893-F936 VanDerWaalsContact CD1-CD2 3.47Å; I893-F936 HydrophobicContact CD1-CE2 3.87Å
894S80.8Confident71.3Confident8.25 Ų8.2554.4 Ų54.46%0.05830%0.298CS..Hα-helixtrans-64.4-32.617962.80000112.6W890 Y891 T899 R932W890-S894 VanDerWaalsContact O-CB 3.27Å; W890-S894 WeakPolarHBondContact O-CB 3.37Å; W890-S894 PolarHBondContact O-N 3.14Å; W890-S894 PolarHBondContact O-OG 3.18Å; W890-S894 VanDerWaalsContact O-OG 3.08Å; Y891-S894 WeakPolarHBondContact CA-OG 3.32Å; Y891-S894 PolarHBondContact O-OG 3.25Å; S894-T899 PolarHBondContact O-OG1 2.99Å; S894-R932 PolarHBondContact O-NH1 3.3Å
895N79.8Confident68.4Low27 Ų2762.4 Ų62.414%0.14433%0.332CS..THydrogen-bonded Turntrans-111.214.6-173.6-61.3-59.1000114.5I6 S7 P859 T860 Y891 I892 I893I6-N895 HydrophobicContact CB-CB 4.45Å; I6-N895 HydrophobicContact CD1-CB 4.4Å; I6-N895 HydrophobicContact CG1-CB 4.24Å; I6-N895 HydrophobicContact CG2-CB 3.55Å; S7-N895 PolarHBondContact N-O 3.28Å; P859-N895 HydrophobicContact CB-CB 4.23Å; P859-N895 VanDerWaalsContact CB-CG 3.44Å; P859-N895 WeakPolarHBondContact CB-OD1 3.17Å; P859-N895 HydrophobicContact CG-CB 4.11Å; P859-N895 VanDerWaalsContact CG-CG 3.42Å; P859-N895 WeakPolarHBondContact CG-OD1 3.41Å; T860-N895 PolarHBondContact O-ND2 3.44Å; T860-N895 VanDerWaalsContact O-ND2 3.14Å; Y891-N895 WeakPolarHBondContact CD2-ND2 3.44Å; Y891-N895 WeakPolarHBondContact O-CB 3.34Å; Y891-N895 PolarHBondContact O-N 3.16Å; Y891-N895 PolarHBondContact O-ND2 3.21Å; I892-N895 CarbonylContact O-C 3.58Å; I892-N895 PolarHBondContact O-N 3Å; I893-N895 VanDerWaalsContact C-N 3.28Å; I893-N895 PolarHBondContact O-N 3.15Å
896A75.5Confident65.5Low27.25 Ų27.2569.9 Ų69.923%0.22537%0.367CS..  trans-59.7139.917500000110.9M1 I892 G898 T899M1-A896 HydrophobicContact SD-CB 4.41Å; I892-A896 PolarHBondContact O-N 3.09Å; I892-A896 VanDerWaalsContact O-N 3.11Å; A896-G898 PolarHBondContact O-N 2.95Å; A896-T899 HydrophobicContact CB-CG2 3.87Å; A896-T899 WeakPolarHBondContact O-CB 3.39Å; A896-T899 VanDerWaalsContact O-CG2 3.28Å; A896-T899 WeakPolarHBondContact O-CG2 3.44Å; A896-T899 PolarHBondContact O-N 3.32Å; A896-T899 PolarHBondContact O-OG1 3.15Å
897P67.8Low62.5Low84.5 Ų84.577.3 Ų77.355%0.54940%0.401SS..THydrogen-bonded Turntrans-63.5128.8-176.515-19.6000111.3M5M5-P897 HydrophobicContact CE-CG 3.72Å
898G64.6Low59.5Low56.25 Ų56.2581.8 Ų81.858%0.5843%0.431SS*.THydrogen-bonded Turntrans102.4-17.8-178.100000114.9A896 K900 S901A896-G898 PolarHBondContact O-N 2.95Å; G898-K900 VanDerWaalsContact C-N 3.28Å; G898-K900 PolarHBondContact O-N 3.15Å; G898-S901 WeakPolarHBondContact O-CB 3.37Å; G898-S901 PolarHBondContact O-N 3.02Å; G898-S901 VanDerWaalsContact O-N 3.14Å; G898-S901 PolarHBondContact O-OG 2.83Å; G898-S901 VanDerWaalsContact O-OG 3.06Å
899T61.6Low56.8Low41.25 Ų41.2588.8 Ų88.825%0.25346%0.462SS..THydrogen-bonded Turntrans-59.7-19.1-175.749.90000116.2S894 A896S894-T899 PolarHBondContact O-OG1 2.99Å; A896-T899 HydrophobicContact CB-CG2 3.87Å; A896-T899 WeakPolarHBondContact O-CB 3.39Å; A896-T899 VanDerWaalsContact O-CG2 3.28Å; A896-T899 WeakPolarHBondContact O-CG2 3.44Å; A896-T899 PolarHBondContact O-N 3.32Å; A896-T899 PolarHBondContact O-OG1 3.15Å
900K55.5Low53.9Low126.25 Ų126.2592.1 Ų92.155%0.54949%0.489SS..THydrogen-bonded Turntrans-921.8175.8-58.9-160179.6-155.10114.2E863 G898 S902E863-K900 IonicContact OE1-NZ 3.51Å; E863-K900 PolarHBondContact OE1-NZ 3.22Å; E863-K900 IonicContact OE2-NZ 3.01Å; E863-K900 PolarHBondContact OE2-NZ 3.25Å; G898-K900 VanDerWaalsContact C-N 3.28Å; G898-K900 PolarHBondContact O-N 3.15Å; K900-S902 VanDerWaalsContact C-N 3.26Å; K900-S902 PolarHBondContact O-N 3.13Å
901S42.3Very low50.9Low91.75 Ų91.7597.3 Ų97.364%0.64253%0.525SS*.  trans-84.6-1.3-174.8175.30000114.4G898 Y903 K904G898-S901 WeakPolarHBondContact O-CB 3.37Å; G898-S901 PolarHBondContact O-N 3.02Å; G898-S901 VanDerWaalsContact O-N 3.14Å; G898-S901 PolarHBondContact O-OG 2.83Å; G898-S901 VanDerWaalsContact O-OG 3.06Å; S901-Y903 VanDerWaalsContact C-N 3.31Å; S901-Y903 PolarHBondContact O-N 3.1Å; S901-K904 PolarHBondContact O-N 3.06Å; S901-K904 VanDerWaalsContact O-N 3.13Å
902S39.8Very low48.1Very low91.75 Ų91.75107.1 Ų107.164%0.64256%0.563SS**THydrogen-bonded Turntrans-75.92-173.40.90000115.3K900 K904K900-S902 VanDerWaalsContact C-N 3.26Å; K900-S902 PolarHBondContact O-N 3.13Å; S902-K904 VanDerWaalsContact C-N 3.3Å; S902-K904 PolarHBondContact O-N 3.31Å
903Y34Very low45.4Very low177.5 Ų177.5110.1 Ų110.170%0.69659%0.587SS**THydrogen-bonded Turntrans-101.131.2176.9-82.9-79000113.9S901 G928S901-Y903 VanDerWaalsContact C-N 3.31Å; S901-Y903 PolarHBondContact O-N 3.1Å; Y903-G928 VanDerWaalsContact OH-CA 3.31Å; Y903-G928 WeakPolarHBondContact OH-CA 3.35Å; Y903-G928 PolarHBondContact OH-N 3.35Å
904K27.6Very low42.7Very low175 Ų175113.6 Ų113.676%0.76161%0.606SS**SBendtrans-143.986.6174.8-69.7-171.3176.9-176.10114.1S901 S902S901-K904 PolarHBondContact O-N 3.06Å; S901-K904 VanDerWaalsContact O-N 3.13Å; S902-K904 VanDerWaalsContact C-N 3.3Å; S902-K904 PolarHBondContact O-N 3.31Å
905F26.1Very low40.1Very low189.75 Ų189.75120.4 Ų120.483%0.83264%0.642SS**  trans135.3104.9154.8-78.4-87.9000113.5E907F905-E907 HydrophobicContact CD1-CG 4.34Å; F905-E907 PolarHBondContact O-N 3.05Å; F905-E907 VanDerWaalsContact O-N 3.16Å
906Q27.2Very low37.6Very low177.75 Ų177.75125.4 Ų125.483%0.83167%0.674SS**  trans-11392.2156.4-155.2164.3-4.100108.5
907E24.2Very low35.4Very low157 Ų157130.9 Ų130.973%0.73470%0.699SS**  trans-73.3134.7161.9-71.8175.6146.100108.1F905 E909F905-E907 HydrophobicContact CD1-CG 4.34Å; F905-E907 PolarHBondContact O-N 3.05Å; F905-E907 VanDerWaalsContact O-N 3.16Å; E907-E909 VanDerWaalsContact C-N 3.31Å; E907-E909 PolarHBondContact O-N 3.26Å; E907-E909 VanDerWaalsContact O-N 3.13Å
908P28.2Very low33.6Very low106.75 Ų106.75133.3 Ų133.369%0.69371%0.708SS**  trans-81.178.8-178.933.1-33.9000110.5T910P908-T910 VanDerWaalsContact C-N 3.3Å; P908-T910 PolarHBondContact O-N 3Å; P908-T910 VanDerWaalsContact O-N 3.08Å
909E28Very low32.1Very low159.75 Ų159.75138.6 Ų138.675%0.74672%0.715SS**  trans-83.4104.1165.6-73.5-155.7158.600110.4E907 S911 R971E907-E909 VanDerWaalsContact C-N 3.31Å; E907-E909 PolarHBondContact O-N 3.26Å; E907-E909 VanDerWaalsContact O-N 3.13Å; E909-S911 PolarHBondContact O-N 3.18Å; E909-S911 VanDerWaalsContact O-N 3.13Å; E909-R971 WeakPolarHBondContact OE1-CG 3.44Å
910T27.3Very low30.8Very low124.5 Ų124.5139.7 Ų139.776%0.76473%0.734SS**  trans-71118.717651.90000112.2P908 L982P908-T910 VanDerWaalsContact C-N 3.3Å; P908-T910 PolarHBondContact O-N 3Å; P908-T910 VanDerWaalsContact O-N 3.08Å; T910-L982 HydrophobicContact CG2-CD2 3.88Å
911S26.5Very low30.1Very low107.75 Ų107.75137.5 Ų137.575%0.75373%0.728SS**  trans-152.9113.7160.569.20000113E909 C913E909-S911 PolarHBondContact O-N 3.18Å; E909-S911 VanDerWaalsContact O-N 3.13Å; S911-C913 PolarHBondContact O-N 3.05Å
912Y26.7Very low30.2Very low213.25 Ų213.25139.1 Ų139.184%0.83673%0.729SS**  trans-68.2124.4138.4-144.2-92.1000111.7F966Y912-F966 HydrophobicContact CD1-CE1 4.45Å
913C27.5Very low30.7Very low105.5 Ų105.5137.3 Ų137.371%0.71371%0.709SS**  trans18.2121.1166.3-61.10000116.4S911S911-C913 PolarHBondContact O-N 3.05Å
914D25.7Very low31.8Very low136 Ų136129.2 Ų129.273%0.72768%0.677SS**  trans-130.9145.8135.1-115.2-23.1000110.1T916D914-T916 PolarHBondContact O-N 2.99Å
915D26.1Very low32.9Very low152.25 Ų152.25124.7 Ų124.781%0.81466%0.662SS**SBendtrans-50.1121.5177.9-65.8-46.2000113.9
916T26.3Very low34.3Very low132.25 Ų132.25119.4 Ų119.481%0.81164%0.639SS**  trans135.7101.4164.541.70000115.1D914D914-T916 PolarHBondContact O-N 2.99Å
917D29.6Very low35.9Very low141.75 Ų141.75113.1 Ų113.176%0.75861%0.614SS**  trans132.975.5154.8-85-17.2000115.2F919D917-F919 VanDerWaalsContact C-N 3.34Å; D917-F919 HydrophobicContact CB-CD2 4.36Å; D917-F919 PolarHBondContact O-N 3.25Å
918D30.9Very low38.1Very low135.25 Ų135.25107.2 Ų107.272%0.72360%0.595SS**THydrogen-bonded Turntrans-70.160.3179.2-120.4-15.3000114
919F33.5Very low40.7Very low168 Ų168103.4 Ų103.474%0.73757%0.568SS**THydrogen-bonded Turntrans-119.69.2177.5-80.4-78.2000114.1D917D917-F919 VanDerWaalsContact C-N 3.34Å; D917-F919 HydrophobicContact CB-CD2 4.36Å; D917-F919 PolarHBondContact O-N 3.25Å
920G33.8Very low43.4Very low64 Ų6495.9 Ų95.966%0.6653%0.533SS*.  trans-98.6-7.3-167.400000118N922G920-N922 PolarHBondContact O-N 3.12Å
921I41.3Very low46Very low79 Ų7990.4 Ų90.441%0.40550%0.499SS..  trans-92.3119.2-173.6-55.5176.8000110.5Y923 H947I921-Y923 HydrophobicContact CB-CE1 4.34Å; I921-Y923 HydrophobicContact CB-CE2 3.94Å; I921-Y923 WeakPolarHBondContact CD1-OH 3.36Å; I921-Y923 HydrophobicContact CG2-CD1 4.2Å; I921-Y923 HydrophobicContact CG2-CD2 4.43Å; I921-Y923 HydrophobicContact CG2-CE1 3.7Å; I921-Y923 VanDerWaalsContact CG2-CE1 3.41Å; I921-Y923 HydrophobicContact CG2-CE2 4.09Å; I921-Y923 HydrophobicContact CG2-CG 4.42Å; I921-Y923 VanDerWaalsContact CG2-CZ 3.42Å; I921-Y923 WeakPolarHBondContact O-CD2 3.45Å; I921-Y923 WeakPolarHBondContact O-CE2 3.4Å; I921-Y923 PolarHBondContact O-N 2.68Å; I921-H947 HydrophobicContact CG2-CB 4.3Å
922N44Very low48.6Very low127 Ų12788.5 Ų88.568%0.67948%0.475SS*.  trans-80.3110.9173.3-71.6-38000109.7G920 F924G920-N922 PolarHBondContact O-N 3.12Å; N922-F924 VanDerWaalsContact C-N 3.33Å
923Y50.8Low51.6Low52.25 Ų52.2578.4 Ų78.421%0.20544%0.436CS..  trans-93.6-6.7-179.8-81.3-77.3000114.5I921 N935 L945 S946 H947 V1032I921-Y923 HydrophobicContact CB-CE1 4.34Å; I921-Y923 HydrophobicContact CB-CE2 3.94Å; I921-Y923 WeakPolarHBondContact CD1-OH 3.36Å; I921-Y923 HydrophobicContact CG2-CD1 4.2Å; I921-Y923 HydrophobicContact CG2-CD2 4.43Å; I921-Y923 HydrophobicContact CG2-CE1 3.7Å; I921-Y923 VanDerWaalsContact CG2-CE1 3.41Å; I921-Y923 HydrophobicContact CG2-CE2 4.09Å; I921-Y923 HydrophobicContact CG2-CG 4.42Å; I921-Y923 VanDerWaalsContact CG2-CZ 3.42Å; I921-Y923 WeakPolarHBondContact O-CD2 3.45Å; I921-Y923 WeakPolarHBondContact O-CE2 3.4Å; I921-Y923 PolarHBondContact O-N 2.68Å; Y923-N935 WeakPolarHBondContact CD2-OD1 3.29Å; Y923-L945 HydrophobicContact CD1-CB 4.29Å; Y923-L945 HydrophobicContact CD1-CD2 4Å; Y923-L945 HydrophobicContact CD2-CB 4.04Å; Y923-L945 HydrophobicContact CD2-CD2 3.65Å; Y923-L945 VanDerWaalsContact CD2-CD2 3.4Å; Y923-L945 HydrophobicContact CD2-CG 4.34Å; Y923-L945 HydrophobicContact CE1-CB 3.9Å; Y923-L945 HydrophobicContact CE1-CD2 4.33Å; Y923-L945 HydrophobicContact CE2-CB 3.76Å; Y923-L945 HydrophobicContact CE2-CD2 4.21Å; Y923-L945 HydrophobicContact CG-CB 4.33Å; Y923-L945 HydrophobicContact CG-CD2 3.72Å; Y923-L945 PolarHBondContact OH-O 3.06Å; Y923-S946 VanDerWaalsContact OH-CA 3.26Å; Y923-S946 WeakPolarHBondContact OH-CA 3.46Å; Y923-H947 HydrophobicContact CE1-CB 3.98Å; Y923-H947 HydrophobicContact CE2-CB 4.23Å; Y923-V1032 HydrophobicContact CD2-CG1 4.37Å; Y923-V1032 HydrophobicContact CE1-CG1 4.14Å; Y923-V1032 HydrophobicContact CE1-CG2 3.87Å; Y923-V1032 HydrophobicContact CE2-CB 4.49Å; Y923-V1032 HydrophobicContact CE2-CG1 3.63Å; Y923-V1032 HydrophobicContact CE2-CG2 4.43Å; Y923-V1032 WeakPolarHBondContact OH-CG2 3.19Å
924F55.7Low54.4Low8 Ų873.3 Ų73.34%0.03540%0.402CS..SBendtrans-134.4140.5-174.5-60.7-85.2000108.7N922 E926 N931 A934 N935 L938 E1079 L1080 I1083N922-F924 VanDerWaalsContact C-N 3.33Å; F924-E926 VanDerWaalsContact C-N 3.31Å; F924-E926 PolarHBondContact O-N 3.28Å; F924-E926 VanDerWaalsContact O-N 3.08Å; F924-N931 HydrophobicContact CB-CB 4.3Å; F924-N931 WeakPolarHBondContact CB-OD1 3.4Å; F924-N931 PolarHBondContact O-ND2 3.17Å; F924-N931 PolarHBondContact O-OD1 3.39Å; F924-A934 HydrophobicContact CD1-CB 4.45Å; F924-A934 HydrophobicContact CD2-CB 3.68Å; F924-A934 HydrophobicContact CE1-CB 4.25Å; F924-A934 HydrophobicContact CE2-CB 3.36Å; F924-A934 VanDerWaalsContact CE2-CB 3.45Å; F924-A934 HydrophobicContact CG-CB 4.26Å; F924-A934 HydrophobicContact CZ-CB 3.68Å; F924-N935 WeakPolarHBondContact CD2-OD1 3.44Å; F924-N935 WeakPolarHBondContact CE2-OD1 3.45Å; F924-L938 HydrophobicContact CE2-CD1 4.21Å; F924-L938 HydrophobicContact CZ-CD1 4.14Å; F924-E1079 HydrophobicContact CD1-CB 4.24Å; F924-E1079 HydrophobicContact CE1-CB 4.2Å; F924-L1080 HydrophobicContact CE1-CB 4.3Å; F924-L1080 HydrophobicContact CZ-CD1 4.24Å; F924-I1083 HydrophobicContact CE1-CD1 3.83Å; F924-I1083 HydrophobicContact CZ-CD1 3.73Å
925D51Low57.1Low81.5 Ų81.568.7 Ų68.744%0.43638%0.377SS..  trans-83.8111-178.2-69.2-39.2000112N931 N997 H1076D925-N931 PolarHBondContact O-OD1 2.94Å; D925-N997 PolarHBondContact O-ND2 2.79Å; D925-H1076 PolarHBondContact O-CD2 2.99Å; D925-H1076 VanDerWaalsContact O-CD2 3.24Å; D925-H1076 PolarHBondContact O-NE2 3.06Å
926E55.1Low60.1Low77 Ų7761.7 Ų61.736%0.3634%0.339SS..SBendtrans72.9-163.8177.6-91.9-149.715500116.7F924 G928 N931 N997 E998 H1076F924-E926 VanDerWaalsContact C-N 3.31Å; F924-E926 PolarHBondContact O-N 3.28Å; F924-E926 VanDerWaalsContact O-N 3.08Å; E926-G928 PolarHBondContact O-N 3.02Å; E926-G928 VanDerWaalsContact O-N 3.14Å; E926-N931 VanDerWaalsContact O-CG 3.26Å; E926-N931 PolarHBondContact O-ND2 2.83Å; E926-N931 PolarHBondContact O-OD1 3.07Å; E926-N931 VanDerWaalsContact O-OD1 3.11Å; E926-N997 HydrophobicContact CB-CB 4.5Å; E926-N997 WeakPolarHBondContact CB-OD1 3.08Å; E926-N997 HydrophobicContact CG-CB 4.18Å; E926-N997 VanDerWaalsContact CG-ND2 3.34Å; E926-N997 WeakPolarHBondContact CG-ND2 3.37Å; E926-N997 WeakPolarHBondContact CG-OD1 3.39Å; E926-N997 VanDerWaalsContact OE1-CA 3.26Å; E926-N997 WeakPolarHBondContact OE1-CA 3.39Å; E926-N997 WeakPolarHBondContact OE1-CB 3.33Å; E926-N997 PolarHBondContact OE1-OD1 2.81Å; E926-N997 PolarHBondContact OE2-ND2 2.85Å; E926-E998 PolarHBondContact OE1-N 3.43Å; E926-H1076 VanDerWaalsContact CB-NE2 3.3Å; E926-H1076 WeakPolarHBondContact CB-NE2 3.41Å; E926-H1076 PolarHBondContact O-CD2 3.35Å; E926-H1076 IonicContact OE2-CE1 3.31Å; E926-H1076 PolarHBondContact OE2-CE1 2.99Å; E926-H1076 IonicContact OE2-ND1 2.72Å; E926-H1076 IonicContact OE2-NE2 3Å
927P62.1Low63Low47.25 Ų47.2555.4 Ų55.431%0.30730%0.301SS..  -67.4130.3-105.830.3-34.5000111.5E929 W930 N931P927-E929 CarbonylContact O-C 3.53Å; P927-E929 PolarHBondContact O-N 3.3Å; P927-W930 HydrophobicContact CG-CB 4.23Å; P927-W930 WeakPolarHBondContact O-CB 3.35Å; P927-W930 PolarHBondContact O-N 3.23Å; P927-N931 PolarHBondContact O-N 2.97Å
928G70.1Confident65.6Low32.75 Ų32.7548.9 Ų48.934%0.33827%0.266SS..Hα-helixtrans-58.81.8-165.200000118.9Y903 E926 R932Y903-G928 VanDerWaalsContact OH-CA 3.31Å; Y903-G928 WeakPolarHBondContact OH-CA 3.35Å; Y903-G928 PolarHBondContact OH-N 3.35Å; E926-G928 PolarHBondContact O-N 3.02Å; E926-G928 VanDerWaalsContact O-N 3.14Å; G928-R932 VanDerWaalsContact O-CG 3.29Å; G928-R932 WeakPolarHBondContact O-CG 3.41Å; G928-R932 PolarHBondContact O-NE 3.08Å; G928-R932 PolarHBondContact O-NH2 2.83Å
929E82.9Confident68.1Low26.75 Ų26.7544.4 Ų44.413%0.12525%0.245CC..Hα-helixtrans-81.3-40.6159.8-171.1-172.2-179.600112.2A862 E863 N864 W890 P927 R932 F933A862-E929 WeakPolarHBondContact CA-OE1 3.26Å; A862-E929 WeakPolarHBondContact CB-OE1 3.17Å; E863-E929 WeakPolarHBondContact CA-OE2 3.28Å; E863-E929 WeakPolarHBondContact CB-OE2 3.37Å; E863-E929 PolarHBondContact N-OE1 3.19Å; E863-E929 PolarHBondContact N-OE2 3.13Å; N864-E929 VanDerWaalsContact CB-OE2 3.29Å; N864-E929 WeakPolarHBondContact CB-OE2 3.29Å; N864-E929 PolarHBondContact N-OE2 3.19Å; W890-E929 HydrophobicContact CH2-CG 4.43Å; W890-E929 HydrophobicContact CZ2-CG 4.33Å; P927-E929 CarbonylContact O-C 3.53Å; P927-E929 PolarHBondContact O-N 3.3Å; E929-R932 PolarHBondContact O-N 3.06Å; E929-F933 WeakPolarHBondContact O-CB 3.46Å; E929-F933 PolarHBondContact O-N 3.18Å
930W84.6Confident70.5Confident2.5 Ų2.536.5 Ų36.51%0.00921%0.21CC..Hα-helixtrans-62.7-47.8178.3-179.7-99.4000111.4M866 V867 P927 R932 F933 A934 H1076 L1077 L1080M866-W930 HydrophobicContact CB-CE3 4.27Å; M866-W930 HydrophobicContact CB-CZ3 4.03Å; M866-W930 HydrophobicContact CG-CH2 4.38Å; M866-W930 HydrophobicContact CG-CZ3 3.91Å; V867-W930 HydrophobicContact CG2-CE3 3.67Å; V867-W930 HydrophobicContact CG2-CZ3 4.1Å; P927-W930 HydrophobicContact CG-CB 4.23Å; P927-W930 WeakPolarHBondContact O-CB 3.35Å; P927-W930 PolarHBondContact O-N 3.23Å; W930-R932 VanDerWaalsContact C-N 3.28Å; W930-R932 PolarHBondContact O-N 3.2Å; W930-F933 HydrophobicContact CE3-CD1 4.26Å; W930-F933 HydrophobicContact CH2-CD1 4.15Å; W930-F933 HydrophobicContact CH2-CE1 4.34Å; W930-F933 AromaticContact CZ3-CD1 3.84Å; W930-F933 HydrophobicContact CZ3-CD1 3.88Å; W930-F933 HydrophobicContact CZ3-CE1 4.26Å; W930-F933 CarbonylContact O-C 3.55Å; W930-F933 WeakPolarHBondContact O-CA 3.42Å; W930-F933 WeakPolarHBondContact O-CB 3.42Å; W930-F933 PolarHBondContact O-N 3.12Å; W930-A934 PolarHBondContact O-N 3.02Å; W930-H1076 HydrophobicContact CD2-CB 4.4Å; W930-H1076 HydrophobicContact CG-CB 4.38Å; W930-H1076 HydrophobicContact CZ2-CB 4.22Å; W930-H1076 WeakPolarHBondContact CZ2-O 3.33Å; W930-H1076 VanDerWaalsContact NE1-CB 3.3Å; W930-H1076 PolarHBondContact NE1-O 3.1Å; W930-L1077 HydrophobicContact CH2-CB 4.12Å; W930-L1077 HydrophobicContact CH2-CD1 3.92Å; W930-L1077 HydrophobicContact CH2-CG 4.42Å; W930-L1077 HydrophobicContact CZ2-CB 4.19Å; W930-L1077 HydrophobicContact CZ2-CD1 4.33Å; W930-L1080 HydrophobicContact CH2-CD2 4.36Å; W930-L1080 HydrophobicContact CZ2-CB 4.39Å; W930-L1080 HydrophobicContact CZ2-CD2 4.11Å
931N81.1Confident72.7Confident9.25 Ų9.2533.5 Ų33.55%0.04918%0.179CC..Hα-helixtrans-61.5-40179-77.5-2.2000111F924 D925 E926 P927 F933 A934 N935F924-N931 HydrophobicContact CB-CB 4.3Å; F924-N931 WeakPolarHBondContact CB-OD1 3.4Å; F924-N931 PolarHBondContact O-ND2 3.17Å; F924-N931 PolarHBondContact O-OD1 3.39Å; D925-N931 PolarHBondContact O-OD1 2.94Å; E926-N931 VanDerWaalsContact O-CG 3.26Å; E926-N931 PolarHBondContact O-ND2 2.83Å; E926-N931 PolarHBondContact O-OD1 3.07Å; E926-N931 VanDerWaalsContact O-OD1 3.11Å; P927-N931 PolarHBondContact O-N 2.97Å; N931-F933 VanDerWaalsContact C-N 3.33Å; N931-F933 PolarHBondContact O-N 3.31Å; N931-A934 PolarHBondContact O-N 3.33Å; N931-N935 VanDerWaalsContact O-CB 3.28Å; N931-N935 WeakPolarHBondContact O-CB 3.35Å; N931-N935 VanDerWaalsContact O-CG 3.28Å; N931-N935 PolarHBondContact O-N 3.32Å; N931-N935 PolarHBondContact O-ND2 2.82Å; N931-N935 PolarHBondContact O-OD1 3.43Å; N931-N935 PolarHBondContact OD1-ND2 3.08Å
932R82.3Confident74.3Confident67.5 Ų67.529.8 Ų29.826%0.25516%0.161SC..Hα-helixtrans-62.4-37.9171.2-79.1-174.5-70146-0.2112.3W890 S894 G928 E929 W930 F936W890-R932 HydrophobicContact CH2-CB 4.36Å; W890-R932 HydrophobicContact CZ3-CB 4.41Å; S894-R932 PolarHBondContact O-NH1 3.3Å; G928-R932 VanDerWaalsContact O-CG 3.29Å; G928-R932 WeakPolarHBondContact O-CG 3.41Å; G928-R932 PolarHBondContact O-NE 3.08Å; G928-R932 PolarHBondContact O-NH2 2.83Å; E929-R932 PolarHBondContact O-N 3.06Å; W930-R932 VanDerWaalsContact C-N 3.28Å; W930-R932 PolarHBondContact O-N 3.2Å; R932-F936 WeakPolarHBondContact O-CA 3.49Å; R932-F936 WeakPolarHBondContact O-CB 3.38Å; R932-F936 PolarHBondContact O-N 3.1Å
933F88.9Confident75.9Confident0 Ų024.2 Ų24.20%013%0.13CC..Hα-helixtrans-68.5-46.3176.3179.9-106.6000112.6V867 C870 L871 L874 W890 E929 W930 N931 F936 I937 F1057V867-F933 HydrophobicContact CB-CG 4.48Å; V867-F933 HydrophobicContact CG1-CB 4.28Å; V867-F933 HydrophobicContact CG1-CD1 4.44Å; V867-F933 HydrophobicContact CG1-CD2 3.68Å; V867-F933 HydrophobicContact CG1-CE2 4.1Å; V867-F933 HydrophobicContact CG1-CG 3.87Å; V867-F933 HydrophobicContact CG2-CB 3.94Å; V867-F933 HydrophobicContact CG2-CD1 4.24Å; V867-F933 HydrophobicContact CG2-CG 4.04Å; C870-F933 HydrophobicContact CB-CE1 3.76Å; C870-F933 HydrophobicContact CB-CZ 3.74Å; L871-F933 HydrophobicContact CD2-CE2 3.98Å; L871-F933 HydrophobicContact CG-CE2 4.33Å; L874-F933 HydrophobicContact CD1-CZ 4.44Å; W890-F933 HydrophobicContact CD2-CD2 4.13Å; W890-F933 AromaticContact CE2-CD2 3.97Å; W890-F933 HydrophobicContact CE3-CD2 4.12Å; W890-F933 HydrophobicContact CH2-CB 3.59Å; W890-F933 VanDerWaalsContact CH2-CB 3.46Å; W890-F933 AromaticContact CH2-CD2 3.97Å; W890-F933 HydrophobicContact CH2-CD2 4.11Å; W890-F933 HydrophobicContact CH2-CG 4.36Å; W890-F933 HydrophobicContact CZ2-CB 4.15Å; W890-F933 AromaticContact CZ2-CD2 3.95Å; W890-F933 HydrophobicContact CZ2-CD2 4.11Å; W890-F933 HydrophobicContact CZ2-CG 4.44Å; W890-F933 VanDerWaalsContact CZ3-CA 3.47Å; W890-F933 HydrophobicContact CZ3-CB 3.95Å; W890-F933 HydrophobicContact CZ3-CD2 4.13Å; W890-F933 HydrophobicContact CZ3-CG 4.47Å; E929-F933 WeakPolarHBondContact O-CB 3.46Å; E929-F933 PolarHBondContact O-N 3.18Å; W930-F933 HydrophobicContact CE3-CD1 4.26Å; W930-F933 HydrophobicContact CH2-CD1 4.15Å; W930-F933 HydrophobicContact CH2-CE1 4.34Å; W930-F933 AromaticContact CZ3-CD1 3.84Å; W930-F933 HydrophobicContact CZ3-CD1 3.88Å; W930-F933 HydrophobicContact CZ3-CE1 4.26Å; W930-F933 CarbonylContact O-C 3.55Å; W930-F933 WeakPolarHBondContact O-CA 3.42Å; W930-F933 WeakPolarHBondContact O-CB 3.42Å; W930-F933 PolarHBondContact O-N 3.12Å; N931-F933 VanDerWaalsContact C-N 3.33Å; N931-F933 PolarHBondContact O-N 3.31Å; F933-F936 HydrophobicContact CD2-CD1 4.44Å; F933-F936 WeakPolarHBondContact O-CB 3.35Å; F933-F936 PolarHBondContact O-N 3.11Å; F933-I937 HydrophobicContact CD1-CG1 4.49Å; F933-I937 HydrophobicContact CD2-CG1 4.43Å; F933-I937 HydrophobicContact CE1-CG1 4.08Å; F933-I937 HydrophobicContact CE2-CD1 4.02Å; F933-I937 HydrophobicContact CE2-CG1 4.01Å; F933-I937 HydrophobicContact CZ-CD1 3.95Å; F933-I937 HydrophobicContact CZ-CG1 3.8Å; F933-I937 WeakPolarHBondContact O-CG1 3.38Å; F933-I937 PolarHBondContact O-N 3.36Å; F933-F1057 AromaticContact CE1-CZ 3.97Å; F933-F1057 HydrophobicContact CE1-CZ 4.04Å; F933-F1057 HydrophobicContact CZ-CE1 4.42Å; F933-F1057 AromaticContact CZ-CZ 3.9Å; F933-F1057 HydrophobicContact CZ-CZ 3.94Å
934A86.1Confident76.8Confident0 Ų023.2 Ų23.20%013%0.132CC..Hα-helixtrans-62.8-49.4178.500000111.4F924 W930 N931 F936 I937 L938 L1080F924-A934 HydrophobicContact CD1-CB 4.45Å; F924-A934 HydrophobicContact CD2-CB 3.68Å; F924-A934 HydrophobicContact CE1-CB 4.25Å; F924-A934 HydrophobicContact CE2-CB 3.36Å; F924-A934 VanDerWaalsContact CE2-CB 3.45Å; F924-A934 HydrophobicContact CG-CB 4.26Å; F924-A934 HydrophobicContact CZ-CB 3.68Å; W930-A934 PolarHBondContact O-N 3.02Å; N931-A934 PolarHBondContact O-N 3.33Å; A934-F936 VanDerWaalsContact C-N 3.28Å; A934-F936 PolarHBondContact O-N 3.2Å; A934-I937 PolarHBondContact O-N 3.14Å; A934-L938 WeakPolarHBondContact O-CD1 3.35Å; A934-L938 WeakPolarHBondContact O-CG 3.34Å; A934-L938 PolarHBondContact O-N 3.15Å; A934-L938 VanDerWaalsContact O-N 3.07Å; A934-L1080 HydrophobicContact CB-CD1 4.1Å; A934-L1080 HydrophobicContact CB-CD2 4.13Å; A934-L1080 HydrophobicContact CB-CG 4.5Å
935N83.7Confident77.3Confident39.25 Ų39.2523.9 Ų23.921%0.2114%0.136CC..Hα-helixtrans-62.7-35.1174-66.8-7.9000111.8Y923 F924 N931 L938 S939Y923-N935 WeakPolarHBondContact CD2-OD1 3.29Å; F924-N935 WeakPolarHBondContact CD2-OD1 3.44Å; F924-N935 WeakPolarHBondContact CE2-OD1 3.45Å; N931-N935 VanDerWaalsContact O-CB 3.28Å; N931-N935 WeakPolarHBondContact O-CB 3.35Å; N931-N935 VanDerWaalsContact O-CG 3.28Å; N931-N935 PolarHBondContact O-N 3.32Å; N931-N935 PolarHBondContact O-ND2 2.82Å; N931-N935 PolarHBondContact O-OD1 3.43Å; N931-N935 PolarHBondContact OD1-ND2 3.08Å; N935-L938 PolarHBondContact O-N 2.8Å; N935-S939 VanDerWaalsContact O-CB 3.29Å; N935-S939 WeakPolarHBondContact O-CB 3.39Å; N935-S939 PolarHBondContact O-N 3.08Å; N935-S939 PolarHBondContact O-OG 2.88Å
936F87.7Confident77.5Confident4.75 Ų4.7521.7 Ų21.72%0.02113%0.127CC..Hα-helixtrans-63.1-47173.7165.5-106.9000112.2L886 R889 W890 I893 R932 F933 A934 L938 S939 A940L886-F936 HydrophobicContact CD1-CE1 3.85Å; L886-F936 HydrophobicContact CD1-CZ 3.76Å; L886-F936 HydrophobicContact CD2-CE1 3.87Å; L886-F936 HydrophobicContact CD2-CZ 4.43Å; L886-F936 HydrophobicContact CG-CE1 3.96Å; L886-F936 HydrophobicContact CG-CZ 4.08Å; L886-F936 WeakPolarHBondContact O-CZ 3.41Å; R889-F936 HydrophobicContact CB-CE2 3.75Å; R889-F936 HydrophobicContact CB-CZ 3.98Å; W890-F936 HydrophobicContact CB-CD1 4.19Å; W890-F936 HydrophobicContact CB-CE1 3.66Å; W890-F936 HydrophobicContact CB-CZ 3.88Å; W890-F936 HydrophobicContact CD2-CD1 4.2Å; W890-F936 HydrophobicContact CD2-CE1 4.49Å; W890-F936 HydrophobicContact CE3-CB 3.86Å; W890-F936 AromaticContact CE3-CD1 3.51Å; W890-F936 HydrophobicContact CE3-CD1 3.51Å; W890-F936 VanDerWaalsContact CE3-CD1 3.46Å; W890-F936 HydrophobicContact CE3-CD2 4.42Å; W890-F936 HydrophobicContact CE3-CE1 4.2Å; W890-F936 AromaticContact CE3-CG 3.65Å; W890-F936 HydrophobicContact CE3-CG 3.65Å; W890-F936 HydrophobicContact CG-CD1 4.49Å; W890-F936 HydrophobicContact CG-CE1 4.36Å; W890-F936 HydrophobicContact CZ3-CB 3.91Å; W890-F936 HydrophobicContact CZ3-CD1 4.31Å; W890-F936 HydrophobicContact CZ3-CG 4.22Å; I893-F936 HydrophobicContact CD1-CD2 3.5Å; I893-F936 VanDerWaalsContact CD1-CD2 3.47Å; I893-F936 HydrophobicContact CD1-CE2 3.87Å; R932-F936 WeakPolarHBondContact O-CA 3.49Å; R932-F936 WeakPolarHBondContact O-CB 3.38Å; R932-F936 PolarHBondContact O-N 3.1Å; F933-F936 HydrophobicContact CD2-CD1 4.44Å; F933-F936 WeakPolarHBondContact O-CB 3.35Å; F933-F936 PolarHBondContact O-N 3.11Å; A934-F936 VanDerWaalsContact C-N 3.28Å; A934-F936 PolarHBondContact O-N 3.2Å; F936-L938 VanDerWaalsContact C-N 3.31Å; F936-L938 PolarHBondContact O-N 3.03Å; F936-S939 WeakPolarHBondContact CA-OG 3.46Å; F936-S939 PolarHBondContact O-N 3.25Å; F936-S939 PolarHBondContact O-OG 3.22Å; F936-S939 VanDerWaalsContact O-OG 3.13Å; F936-A940 HydrophobicContact CD2-CB 4.25Å; F936-A940 HydrophobicContact CE1-CB 4.48Å; F936-A940 HydrophobicContact CE2-CB 3.83Å; F936-A940 HydrophobicContact CZ-CB 4.02Å; F936-A940 WeakPolarHBondContact O-CA 3.44Å; F936-A940 WeakPolarHBondContact O-CB 3.31Å; F936-A940 PolarHBondContact O-N 3.09Å
937I88.4Confident77.2Confident0 Ų020.2 Ų20.20%012%0.12CC..Hα-helixtrans-62.3-41.6-179.8-67.9-65.8000111L874 L886 F933 A934 A940 S941 I1053 F1057 I1084L874-I937 HydrophobicContact CD1-CD1 4.27Å; L886-I937 HydrophobicContact CD1-CD1 4.3Å; L886-I937 HydrophobicContact CD2-CD1 4.24Å; L886-I937 HydrophobicContact CG-CD1 4.5Å; F933-I937 HydrophobicContact CD1-CG1 4.49Å; F933-I937 HydrophobicContact CD2-CG1 4.43Å; F933-I937 HydrophobicContact CE1-CG1 4.08Å; F933-I937 HydrophobicContact CE2-CD1 4.02Å; F933-I937 HydrophobicContact CE2-CG1 4.01Å; F933-I937 HydrophobicContact CZ-CD1 3.95Å; F933-I937 HydrophobicContact CZ-CG1 3.8Å; F933-I937 WeakPolarHBondContact O-CG1 3.38Å; F933-I937 PolarHBondContact O-N 3.36Å; A934-I937 PolarHBondContact O-N 3.14Å; I937-A940 PolarHBondContact O-N 2.82Å; I937-S941 WeakPolarHBondContact O-CB 3.21Å; I937-S941 PolarHBondContact O-N 3.12Å; I937-S941 VanDerWaalsContact O-N 3.12Å; I937-S941 PolarHBondContact O-OG 2.91Å; I937-I1053 HydrophobicContact CG2-CG2 4.31Å; I937-F1057 HydrophobicContact CD1-CZ 4.18Å; I937-F1057 HydrophobicContact CG1-CE2 4.36Å; I937-F1057 HydrophobicContact CG1-CZ 4.16Å; I937-F1057 HydrophobicContact CG2-CE2 4.21Å; I937-I1084 HydrophobicContact CG2-CD1 4.29Å
938L84.3Confident76.1Confident4.75 Ų4.7526.8 Ų26.83%0.02514%0.138CC..Hα-helixtrans-66.5-49.3177.8-64.7169.6000111.6F924 A934 N935 F936 A940 S941 G942 F943 L945 L1080 I1083 I1084 I1087F924-L938 HydrophobicContact CE2-CD1 4.21Å; F924-L938 HydrophobicContact CZ-CD1 4.14Å; A934-L938 WeakPolarHBondContact O-CD1 3.35Å; A934-L938 WeakPolarHBondContact O-CG 3.34Å; A934-L938 PolarHBondContact O-N 3.15Å; A934-L938 VanDerWaalsContact O-N 3.07Å; N935-L938 PolarHBondContact O-N 2.8Å; F936-L938 VanDerWaalsContact C-N 3.31Å; F936-L938 PolarHBondContact O-N 3.03Å; L938-A940 VanDerWaalsContact C-N 3.35Å; L938-A940 PolarHBondContact O-N 3.21Å; L938-S941 CarbonylContact O-C 3.56Å; L938-S941 WeakPolarHBondContact O-CA 3.37Å; L938-S941 WeakPolarHBondContact O-CB 3.44Å; L938-S941 PolarHBondContact O-N 3.02Å; L938-S941 VanDerWaalsContact O-N 3.15Å; L938-S941 PolarHBondContact O-OG 3.38Å; L938-G942 PolarHBondContact O-N 3.1Å; L938-F943 CarbonylContact C-O 3.5Å; L938-F943 HydrophobicContact CB-CB 4.41Å; L938-F943 HydrophobicContact CD2-CD2 4.36Å; L938-F943 WeakPolarHBondContact O-CB 3.42Å; L938-F943 WeakPolarHBondContact O-CD2 3.4Å; L938-F943 PolarHBondContact O-N 3.08Å; L938-L945 HydrophobicContact CB-CD1 4.29Å; L938-L945 HydrophobicContact CD1-CD1 3.92Å; L938-L945 HydrophobicContact CD1-CD2 3.88Å; L938-L945 HydrophobicContact CD2-CD1 4.49Å; L938-L945 HydrophobicContact CG-CD1 4.42Å; L938-L1080 HydrophobicContact CD1-CD1 4.21Å; L938-L1080 HydrophobicContact CD2-CD1 4.43Å; L938-L1080 HydrophobicContact CG-CD1 4.24Å; L938-I1083 HydrophobicContact CD1-CG2 4.37Å; L938-I1083 HydrophobicContact CD2-CG2 4.22Å; L938-I1084 HydrophobicContact CD2-CG1 4.23Å; L938-I1087 HydrophobicContact CD2-CD1 4.11Å
939S83.6Confident74.6Confident41.25 Ų41.2533.4 Ų33.429%0.28815%0.154SC..Hα-helixtrans-68.5-30.7178.259.80000113.9N935 F936 S941 G942 F943N935-S939 VanDerWaalsContact O-CB 3.29Å; N935-S939 WeakPolarHBondContact O-CB 3.39Å; N935-S939 PolarHBondContact O-N 3.08Å; N935-S939 PolarHBondContact O-OG 2.88Å; F936-S939 WeakPolarHBondContact CA-OG 3.46Å; F936-S939 PolarHBondContact O-N 3.25Å; F936-S939 PolarHBondContact O-OG 3.22Å; F936-S939 VanDerWaalsContact O-OG 3.13Å; S939-S941 VanDerWaalsContact C-N 3.3Å; S939-S941 PolarHBondContact O-N 3.27Å; S939-G942 WeakPolarHBondContact O-CA 3.34Å; S939-G942 PolarHBondContact O-N 3.11Å; S939-G942 VanDerWaalsContact O-N 3.1Å; S939-F943 VanDerWaalsContact CA-O 3.28Å; S939-F943 WeakPolarHBondContact CA-O 3.16Å; S939-F943 PolarHBondContact N-O 2.75Å
940A82.9Confident72.1Confident1 Ų136.4 Ų36.41%0.00818%0.175CC..Hα-helixtrans-70.4-23.5172.500000112.6L886 F936 I937 L938 G942 S1043 V1046L886-A940 HydrophobicContact CD1-CB 4.16Å; F936-A940 HydrophobicContact CD2-CB 4.25Å; F936-A940 HydrophobicContact CE1-CB 4.48Å; F936-A940 HydrophobicContact CE2-CB 3.83Å; F936-A940 HydrophobicContact CZ-CB 4.02Å; F936-A940 WeakPolarHBondContact O-CA 3.44Å; F936-A940 WeakPolarHBondContact O-CB 3.31Å; F936-A940 PolarHBondContact O-N 3.09Å; I937-A940 PolarHBondContact O-N 2.82Å; L938-A940 VanDerWaalsContact C-N 3.35Å; L938-A940 PolarHBondContact O-N 3.21Å; A940-G942 VanDerWaalsContact C-N 3.29Å; A940-S1043 VanDerWaalsContact O-CA 3.27Å; A940-S1043 WeakPolarHBondContact O-CA 3.32Å; A940-S1043 WeakPolarHBondContact O-CB 3.39Å; A940-S1043 PolarHBondContact O-OG 3.48Å; A940-V1046 HydrophobicContact CB-CG1 4.4Å; A940-V1046 HydrophobicContact CB-CG2 4.48Å; A940-V1046 VanDerWaalsContact O-CB 3.27Å; A940-V1046 WeakPolarHBondContact O-CB 3.42Å
941S80.5Confident69.5Low0.75 Ų0.7539.5 Ų39.51%0.00521%0.208CC..THydrogen-bonded Turntrans-87.34.1169.6-34.90000113.1I937 L938 S939 F943I937-S941 WeakPolarHBondContact O-CB 3.21Å; I937-S941 PolarHBondContact O-N 3.12Å; I937-S941 VanDerWaalsContact O-N 3.12Å; I937-S941 PolarHBondContact O-OG 2.91Å; L938-S941 CarbonylContact O-C 3.56Å; L938-S941 WeakPolarHBondContact O-CA 3.37Å; L938-S941 WeakPolarHBondContact O-CB 3.44Å; L938-S941 PolarHBondContact O-N 3.02Å; L938-S941 VanDerWaalsContact O-N 3.15Å; L938-S941 PolarHBondContact O-OG 3.38Å; S939-S941 VanDerWaalsContact C-N 3.3Å; S939-S941 PolarHBondContact O-N 3.27Å; S941-F943 WeakPolarHBondContact OG-CD2 3.44Å; S941-F943 VanDerWaalsContact OG-CE2 3.28Å; S941-F943 WeakPolarHBondContact OG-CE2 3.47Å
942G75.5Confident66.9Low2.75 Ų2.7546.2 Ų46.23%0.02824%0.243CC..THydrogen-bonded Turntrans91.31.7177.300000115.5L938 S939 A940 V1037 R1038L938-G942 PolarHBondContact O-N 3.1Å; S939-G942 WeakPolarHBondContact O-CA 3.34Å; S939-G942 PolarHBondContact O-N 3.11Å; S939-G942 VanDerWaalsContact O-N 3.1Å; A940-G942 VanDerWaalsContact C-N 3.29Å; G942-V1037 CarbonylContact O-C 3.58Å; G942-V1037 WeakPolarHBondContact O-CA 3.42Å; G942-V1037 PolarHBondContact O-N 3.2Å; G942-V1037 VanDerWaalsContact O-N 3.12Å; G942-R1038 PolarHBondContact O-N 3.11Å
943F77Confident64.3Low8 Ų851.3 Ų51.34%0.03527%0.274CS..EExtended strand (participates in β ladder)trans-87.3137.5-176.5-57-63.7000113.2L938 S939 S941 L945 L1034 S1035 Y1036 V1037 L1047 L1050 I1087 F1115L938-F943 CarbonylContact C-O 3.5Å; L938-F943 HydrophobicContact CB-CB 4.41Å; L938-F943 HydrophobicContact CD2-CD2 4.36Å; L938-F943 WeakPolarHBondContact O-CB 3.42Å; L938-F943 WeakPolarHBondContact O-CD2 3.4Å; L938-F943 PolarHBondContact O-N 3.08Å; S939-F943 VanDerWaalsContact CA-O 3.28Å; S939-F943 WeakPolarHBondContact CA-O 3.16Å; S939-F943 PolarHBondContact N-O 2.75Å; S941-F943 WeakPolarHBondContact OG-CD2 3.44Å; S941-F943 VanDerWaalsContact OG-CE2 3.28Å; S941-F943 WeakPolarHBondContact OG-CE2 3.47Å; F943-L945 HydrophobicContact CB-CD1 4.26Å; F943-L1034 HydrophobicContact CB-CD1 3.92Å; F943-L1034 HydrophobicContact CB-CG 4.29Å; F943-L1034 HydrophobicContact CD1-CD1 4.11Å; F943-L1034 HydrophobicContact CD1-CD2 3.83Å; F943-L1034 VanDerWaalsContact CD1-CD2 3.47Å; F943-L1034 HydrophobicContact CD1-CG 4.07Å; F943-L1034 HydrophobicContact CE1-CD2 3.88Å; F943-L1034 HydrophobicContact CG-CD1 4.16Å; F943-L1034 HydrophobicContact CG-CD2 4.23Å; F943-L1034 HydrophobicContact CG-CG 4.4Å; F943-S1035 WeakPolarHBondContact CA-O 3.33Å; F943-Y1036 HydrophobicContact CD1-CD2 4.19Å; F943-Y1036 HydrophobicContact CE1-CD2 4.06Å; F943-V1037 HydrophobicContact CD1-CG2 4.17Å; F943-V1037 HydrophobicContact CE1-CG2 4.3Å; F943-L1047 HydrophobicContact CE1-CD1 4.29Å; F943-L1047 HydrophobicContact CE2-CD1 4.07Å; F943-L1047 HydrophobicContact CZ-CD1 3.76Å; F943-L1050 HydrophobicContact CE2-CD2 3.9Å; F943-L1050 HydrophobicContact CZ-CD2 4.07Å; F943-I1087 HydrophobicContact CD2-CD1 4.34Å; F943-I1087 HydrophobicContact CE1-CG2 4.14Å; F943-I1087 HydrophobicContact CE2-CD1 4.3Å; F943-I1087 HydrophobicContact CE2-CG2 4.12Å; F943-I1087 HydrophobicContact CZ-CD1 4.42Å; F943-I1087 HydrophobicContact CZ-CG2 3.63Å; F943-I1087 VanDerWaalsContact CZ-CG2 3.47Å; F943-F1115 HydrophobicContact CE1-CB 4.47Å; F943-F1115 HydrophobicContact CE1-CD1 4.22Å; F943-F1115 HydrophobicContact CE1-CE1 4.47Å; F943-F1115 AromaticContact CE1-CE2 3.69Å; F943-F1115 HydrophobicContact CE1-CE2 3.69Å; F943-F1115 HydrophobicContact CE1-CG 4.27Å; F943-F1115 AromaticContact CE1-CZ 3.39Å; F943-F1115 HydrophobicContact CE1-CZ 3.39Å; F943-F1115 HydrophobicContact CZ-CD1 4.26Å; F943-F1115 HydrophobicContact CZ-CD2 4.5Å; F943-F1115 HydrophobicContact CZ-CE1 4.14Å; F943-F1115 AromaticContact CZ-CE2 3.85Å; F943-F1115 HydrophobicContact CZ-CE2 3.93Å; F943-F1115 HydrophobicContact CZ-CG 4.25Å; F943-F1115 AromaticContact CZ-CZ 3.43Å; F943-F1115 HydrophobicContact CZ-CZ 3.93Å; F943-F1115 VanDerWaalsContact CZ-CZ 3.43Å
944S69.8Low61.5Low33 Ų3357.2 Ų57.223%0.23131%0.309CS..EExtended strand (participates in β ladder)trans-110.2135.4161.965.30000109.8L1034 S1035 Y1036 V1037S944-L1034 WeakPolarHBondContact O-CD1 3.29Å; S944-S1035 WeakPolarHBondContact CB-OG 3.41Å; S944-S1035 PolarHBondContact N-O 3.11Å; S944-S1035 PolarHBondContact O-N 3.23Å; S944-S1035 VanDerWaalsContact O-N 3.09Å; S944-S1035 PolarHBondContact O-OG 2.87Å; S944-S1035 VanDerWaalsContact O-OG 3.11Å; S944-S1035 WeakPolarHBondContact OG-CB 3.35Å; S944-S1035 PolarHBondContact OG-O 3.44Å; S944-S1035 PolarHBondContact OG-OG 3.18Å; S944-Y1036 PolarHBondContact N-O 3.36Å; S944-Y1036 WeakPolarHBondContact OG-CB 3.37Å; S944-Y1036 WeakPolarHBondContact OG-CD1 3.45Å; S944-Y1036 VanDerWaalsContact OG-CE1 3.25Å; S944-Y1036 WeakPolarHBondContact OG-CE1 3.48Å; S944-Y1036 PolarHBondContact OG-N 3.39Å; S944-Y1036 VanDerWaalsContact OG-N 3.12Å; S944-Y1036 PolarHBondContact OG-O 3.22Å; S944-V1037 VanDerWaalsContact OG-CG2 3.24Å; S944-V1037 WeakPolarHBondContact OG-CG2 3.42Å
945L65.4Low58.6Low22.25 Ų22.2562.4 Ų62.412%0.11635%0.346CS..EExtended strand (participates in β ladder)trans-103.7139.4175.9-103.391.4000108.5Y923 L938 F943 V1032 Y1033 L1034Y923-L945 HydrophobicContact CD1-CB 4.29Å; Y923-L945 HydrophobicContact CD1-CD2 4Å; Y923-L945 HydrophobicContact CD2-CB 4.04Å; Y923-L945 HydrophobicContact CD2-CD2 3.65Å; Y923-L945 VanDerWaalsContact CD2-CD2 3.4Å; Y923-L945 HydrophobicContact CD2-CG 4.34Å; Y923-L945 HydrophobicContact CE1-CB 3.9Å; Y923-L945 HydrophobicContact CE1-CD2 4.33Å; Y923-L945 HydrophobicContact CE2-CB 3.76Å; Y923-L945 HydrophobicContact CE2-CD2 4.21Å; Y923-L945 HydrophobicContact CG-CB 4.33Å; Y923-L945 HydrophobicContact CG-CD2 3.72Å; Y923-L945 PolarHBondContact OH-O 3.06Å; L938-L945 HydrophobicContact CB-CD1 4.29Å; L938-L945 HydrophobicContact CD1-CD1 3.92Å; L938-L945 HydrophobicContact CD1-CD2 3.88Å; L938-L945 HydrophobicContact CD2-CD1 4.49Å; L938-L945 HydrophobicContact CG-CD1 4.42Å; F943-L945 HydrophobicContact CB-CD1 4.26Å; L945-V1032 HydrophobicContact CB-CG1 4.41Å; L945-V1032 HydrophobicContact CD1-CG1 3.94Å; L945-V1032 VanDerWaalsContact CD1-CG1 3.48Å; L945-V1032 HydrophobicContact CD2-CG1 3.73Å; L945-V1032 HydrophobicContact CG-CG1 3.67Å; L945-V1032 VanDerWaalsContact CG-CG1 3.47Å; L945-Y1033 CarbonylContact C-O 3.51Å; L945-Y1033 WeakPolarHBondContact CA-O 3.39Å; L945-L1034 HydrophobicContact CD1-CD1 3.81Å; L945-L1034 HydrophobicContact CD2-CD1 4.4Å
946S55.7Low55.9Low35.75 Ų35.7566.1 Ų66.125%0.2538%0.375CS..EExtended strand (participates in β ladder)trans-135139.7173.559.90000110.6Y923 Y1033Y923-S946 VanDerWaalsContact OH-CA 3.26Å; Y923-S946 WeakPolarHBondContact OH-CA 3.46Å; S946-Y1033 PolarHBondContact N-O 3.14Å; S946-Y1033 PolarHBondContact O-N 3.17Å; S946-Y1033 WeakPolarHBondContact OG-CB 3.29Å; S946-Y1033 PolarHBondContact OG-O 3.05Å
947H49.2Very low52.9Low45.5 Ų45.574.5 Ų74.521%0.21141%0.414CS..EExtended strand (participates in β ladder)trans-109.9122.6179.1-174.5-84.1000110.4I921 Y923 Y949 Q1030I921-H947 HydrophobicContact CG2-CB 4.3Å; Y923-H947 HydrophobicContact CE1-CB 3.98Å; Y923-H947 HydrophobicContact CE2-CB 4.23Å; H947-Y949 AromaticContact CE1-CD1 3.8Å; H947-Y949 AromaticContact CE1-CD2 3.45Å; H947-Y949 VanDerWaalsContact CE1-CD2 3.42Å; H947-Y949 WeakPolarHBondContact CE1-CD2 3.4Å; H947-Y949 AromaticContact CE1-CE1 3.56Å; H947-Y949 AromaticContact CE1-CE2 3.45Å; H947-Y949 VanDerWaalsContact CE1-CE2 3.44Å; H947-Y949 WeakPolarHBondContact CE1-CE2 3.29Å; H947-Y949 AromaticContact CE1-CG 3.7Å; H947-Y949 AromaticContact CE1-CZ 3.71Å; H947-Y949 VanDerWaalsContact CE1-CZ 3.4Å; H947-Y949 AromaticContact ND1-CD2 3.6Å; H947-Y949 WeakPolarHBondContact ND1-CD2 3.35Å; H947-Y949 AromaticContact ND1-CE2 3.73Å; H947-Y949 WeakPolarHBondContact ND1-CE2 3.33Å; H947-Y949 AromaticContact ND1-CZ 3.95Å; H947-Q1030 VanDerWaalsContact NE2-CG 3.27Å; H947-Q1030 WeakPolarHBondContact NE2-CG 3.39Å; H947-Q1030 PolarHBondContact NE2-NE2 3.35Å
948R38.1Very low50Low184.5 Ų184.580.9 Ų80.970%0.69646%0.457SS*.  trans-112.4118.1166.7-76-173.1175.1178.11109.4T950 T1031 Y1033R948-T950 PolarHBondContact O-N 3.19Å; R948-T950 VanDerWaalsContact O-N 3.13Å; R948-T1031 PolarHBondContact N-O 3.38Å; R948-T1031 PolarHBondContact O-OG1 3.33Å; R948-Y1033 HydrophobicContact CB-CD2 4.37Å; R948-Y1033 HydrophobicContact CB-CE2 4.15Å; R948-Y1033 HydrophobicContact CG-CE2 4.43Å
949Y39.9Very low47.2Very low171.75 Ų171.7588.6 Ų88.667%0.67449%0.493SS*.  trans-66.7117.2163-83.9-80.4000108.4H947 G951H947-Y949 AromaticContact CE1-CD1 3.8Å; H947-Y949 AromaticContact CE1-CD2 3.45Å; H947-Y949 VanDerWaalsContact CE1-CD2 3.42Å; H947-Y949 WeakPolarHBondContact CE1-CD2 3.4Å; H947-Y949 AromaticContact CE1-CE1 3.56Å; H947-Y949 AromaticContact CE1-CE2 3.45Å; H947-Y949 VanDerWaalsContact CE1-CE2 3.44Å; H947-Y949 WeakPolarHBondContact CE1-CE2 3.29Å; H947-Y949 AromaticContact CE1-CG 3.7Å; H947-Y949 AromaticContact CE1-CZ 3.71Å; H947-Y949 VanDerWaalsContact CE1-CZ 3.4Å; H947-Y949 AromaticContact ND1-CD2 3.6Å; H947-Y949 WeakPolarHBondContact ND1-CD2 3.35Å; H947-Y949 AromaticContact ND1-CE2 3.73Å; H947-Y949 WeakPolarHBondContact ND1-CE2 3.33Å; H947-Y949 AromaticContact ND1-CZ 3.95Å; Y949-G951 VanDerWaalsContact C-N 3.29Å; Y949-G951 PolarHBondContact O-N 2.95Å
950T30.3Very low44.4Very low90.25 Ų90.2592.8 Ų92.855%0.55451%0.512SS*.  trans-79.565.7179.739.70000111.3R948 N952R948-T950 PolarHBondContact O-N 3.19Å; R948-T950 VanDerWaalsContact O-N 3.13Å; T950-N952 PolarHBondContact O-N 3.02Å; T950-N952 VanDerWaalsContact O-N 3.13Å
951G28.8Very low41.8Very low68.25 Ų68.25100.5 Ų100.570%0.70455%0.553SS**  trans-74.9101.6171.500000111.8Y949 I953Y949-G951 VanDerWaalsContact C-N 3.29Å; Y949-G951 PolarHBondContact O-N 2.95Å; G951-I953 PolarHBondContact O-N 2.96Å
952N27.8Very low39.2Very low148 Ų148107.3 Ų107.379%0.79160%0.595SS**  trans20.6106.5165-70.5-19000117.8T950 V954T950-N952 PolarHBondContact O-N 3.02Å; T950-N952 VanDerWaalsContact O-N 3.13Å; N952-V954 VanDerWaalsContact C-N 3.3Å; N952-V954 HydrophobicContact CB-CG2 4.46Å; N952-V954 PolarHBondContact O-N 3.18Å; N952-V954 VanDerWaalsContact O-N 3.08Å
953I27.2Very low36.7Very low175.5 Ų175.5110.1 Ų110.190%0.962%0.623SS**  trans-71.296.8158.9-59.5173.7000108.3G951 S955G951-I953 PolarHBondContact O-N 2.96Å; I953-S955 PolarHBondContact O-N 3.48Å
954V29.7Very low34.3Very low123.5 Ų123.5118.5 Ų118.575%0.74866%0.662SS**  trans-108.1118.2157.7179.60000108N952 S956N952-V954 VanDerWaalsContact C-N 3.3Å; N952-V954 HydrophobicContact CB-CG2 4.46Å; N952-V954 PolarHBondContact O-N 3.18Å; N952-V954 VanDerWaalsContact O-N 3.08Å; V954-S956 PolarHBondContact O-N 3.07Å
955S25.7Very low32.2Very low110 Ų110123.9 Ų123.977%0.76969%0.687SS**  trans-47.2128.3173.844.40000114.3I953I953-S955 PolarHBondContact O-N 3.48Å
956S26.8Very low30.3Very low116.25 Ų116.25132.1 Ų132.181%0.81372%0.722SS**  trans-154.6135.5136.1-166.50000111V954V954-S956 PolarHBondContact O-N 3.07Å
957E24.2Very low29Very low181 Ų181138.9 Ų138.985%0.84675%0.75SS**  trans-66.7142.1170.5-58.1160.813900110.6
958C27.4Very low27.9Very low134.5 Ų134.5142.3 Ų142.391%0.90978%0.779SS**  -173.3141.7129.1-113.10000111.7
959Q24.8Very low27.5Very low166.5 Ų166.5138.9 Ų138.978%0.77878%0.784SS**  trans-88.8163.4178.1-62.7175.5-27.900112.5
960N25.4Very low27Very low130 Ų130139.7 Ų139.770%0.69579%0.79SS**  trans69.7109.8154.9-52-34.7000118.1
961N28.2Very low27Very low161.75 Ų161.75146.2 Ų146.287%0.86581%0.805SS**  -173.3150.796.5-96.8-34.9000113.9
962V25.7Very low27.2Very low144.25 Ų144.25154.4 Ų154.487%0.87481%0.814SS**  trans-67.5130.4167.9178.10000112
963G24.5Very low27.3Very low60.75 Ų60.75158.5 Ų158.563%0.62682%0.819SS**  122.6120.6129.900000115.9
964H25.3Very low27.6Very low186 Ų186156.5 Ų156.586%0.86182%0.817SS**  trans86.5108.3158.7-80.6-83.5000117.6
965I27Very low27.8Very low144.75 Ų144.75153.7 Ų153.774%0.74281%0.813SS**  178.2116.9126.5-71.9156.5000110.8Q967I965-Q967 HydrophobicContact CG2-CB 4.08Å
966F24.7Very low28.6Very low194.5 Ų194.5154.1 Ų154.185%0.85381%0.813SS**  trans-108107.8155.5-75.2-79.6000110.3Y912Y912-F966 HydrophobicContact CD1-CE1 4.45Å
967Q28.1Very low29.1Very low178.75 Ų178.75157.7 Ų157.784%0.83582%0.817SS**  trans-141.6115.7154.1-98.9-179.316.500111.3I965 S969I965-Q967 HydrophobicContact CG2-CB 4.08Å; Q967-S969 PolarHBondContact O-N 3.08Å
968S26.7Very low29.8Very low117 Ų117158.1 Ų158.182%0.81882%0.819SS**  trans-41.2125.1166.552.30000114.1K970S968-K970 PolarHBondContact O-N 3.36Å
969S29.7Very low31Very low114.25 Ų114.25154.7 Ų154.780%0.79980%0.797SS**  trans-124.9120.3161139.70000113.2Q967 R971Q967-S969 PolarHBondContact O-N 3.08Å; S969-R971 PolarHBondContact O-N 2.71Å; S969-R971 VanDerWaalsContact O-N 3.08Å
970K29.2Very low32.7Very low187 Ų187151.5 Ų151.581%0.81379%0.793SS**  trans-53.9119.9166.6-93.3171.4176.2173.10112.7S968 R972S968-K970 PolarHBondContact O-N 3.36Å; K970-R972 PolarHBondContact O-N 2.93Å
971R30.3Very low34.6Very low227.75 Ų227.75152.5 Ų152.586%0.85979%0.793SS**  trans35.190.5149.8-162.2-178.6-161.2-167.15.3115.3E909 S969E909-R971 WeakPolarHBondContact OE1-CG 3.44Å; S969-R971 PolarHBondContact O-N 2.71Å; S969-R971 VanDerWaalsContact O-N 3.08Å
972R32.2Very low36.8Very low239.75 Ų239.75149.8 Ų149.891%0.90578%0.779SS**PPolyproline II helixtrans-81.7151.1168.5-84.2-170.9170.9-162.2-0.7111.5K970K970-R972 PolarHBondContact O-N 2.93Å
973R31Very low39Very low235.5 Ų235.5147.2 Ų147.289%0.88976%0.76SS**PPolyproline II helixtrans-82.9151.5167.4-74.2178174.1134.9-3.8109.4G975R973-G975 PolarHBondContact O-N 3.05Å
974P34.3Very low41.3Very low133.5 Ų133.5151.8 Ų151.887%0.86776%0.758SS**PPolyproline II helixtrans-64.2133173.827.6-33.9000110.6
975G33.3Very low43.7Very low64.5 Ų64.5147.3 Ų147.367%0.66574%0.74SS**PPolyproline II helixtrans-101.4157.8166.600000110.1R973 E977R973-G975 PolarHBondContact O-N 3.05Å; G975-E977 PolarHBondContact O-N 2.97Å
976P41Very low45.6Very low118.5 Ų118.5143.5 Ų143.577%0.76972%0.722SS**PPolyproline II helixtrans-83.7141-172.534-33.8000112.5E978P976-E978 PolarHBondContact O-N 3.01Å
977E37.4Very low47.7Very low190.75 Ų190.75137.8 Ų137.889%0.89170%0.7SS**SBendtrans74.143.5145-68.2175.6-16600117.5G975G975-E977 PolarHBondContact O-N 2.97Å
978E40.4Very low49.5Very low189.5 Ų189.5131.2 Ų131.289%0.88667%0.672SS**  trans-135.838.2163-81-177.2170.900113.4P976 S980P976-E978 PolarHBondContact O-N 3.01Å; E978-S980 PolarHBondContact O-N 2.77Å
979S51.9Low50.9Low63.5 Ų63.5128 Ų12844%0.44465%0.649SS.*  trans-108.13.1-175.375.40000117.7E981 L982 D983S979-E981 VanDerWaalsContact C-N 3.29Å; S979-E981 PolarHBondContact O-N 3.26Å; S979-E981 VanDerWaalsContact O-N 3.08Å; S979-L982 CarbonylContact O-C 3.48Å; S979-L982 WeakPolarHBondContact O-CA 3.48Å; S979-L982 WeakPolarHBondContact O-CB 3.31Å; S979-L982 PolarHBondContact O-N 3.09Å; S979-L982 VanDerWaalsContact O-N 3.16Å; S979-L982 WeakPolarHBondContact OG-CB 3.49Å; S979-D983 WeakPolarHBondContact CB-OD2 3.35Å; S979-D983 VanDerWaalsContact O-CB 3.29Å; S979-D983 WeakPolarHBondContact O-CB 3.38Å; S979-D983 PolarHBondContact O-N 3.25Å; S979-D983 PolarHBondContact OG-OD2 3.31Å
980S60.6Low51.9Low99.75 Ų99.75128.1 Ų128.170%0.69864%0.64SS**Hα-helixtrans-62-30.9-173.271.30000114.9E978 W984E978-S980 PolarHBondContact O-N 2.77Å; S980-W984 WeakPolarHBondContact O-CA 3.31Å; S980-W984 VanDerWaalsContact O-CB 3.22Å; S980-W984 WeakPolarHBondContact O-CB 3.3Å; S980-W984 PolarHBondContact O-N 2.98Å
981E65.4Low52.8Low150 Ų150123.1 Ų123.170%0.70162%0.622SS**Hα-helixtrans-78.1-29.7176.1-117-178.5-17400112.4S979 W984 N985S979-E981 VanDerWaalsContact C-N 3.29Å; S979-E981 PolarHBondContact O-N 3.26Å; S979-E981 VanDerWaalsContact O-N 3.08Å; E981-W984 PolarHBondContact O-N 2.95Å; E981-N985 VanDerWaalsContact O-CB 3.26Å; E981-N985 WeakPolarHBondContact O-CB 3.31Å; E981-N985 VanDerWaalsContact O-CG 3.23Å; E981-N985 PolarHBondContact O-N 3.25Å; E981-N985 PolarHBondContact O-ND2 3.06Å; E981-N985 VanDerWaalsContact O-ND2 3.1Å
982L73.1Confident53.6Low106 Ų106117.6 Ų117.656%0.55561%0.609SS**Hα-helixtrans-75.3-39.7174.5-159.791.2000110.6T910 S979 W984 N985 N986T910-L982 HydrophobicContact CG2-CD2 3.88Å; S979-L982 CarbonylContact O-C 3.48Å; S979-L982 WeakPolarHBondContact O-CA 3.48Å; S979-L982 WeakPolarHBondContact O-CB 3.31Å; S979-L982 PolarHBondContact O-N 3.09Å; S979-L982 VanDerWaalsContact O-N 3.16Å; S979-L982 WeakPolarHBondContact OG-CB 3.49Å; L982-W984 VanDerWaalsContact C-N 3.32Å; L982-N985 PolarHBondContact O-N 3.2Å; L982-N986 VanDerWaalsContact O-CB 3.25Å; L982-N986 WeakPolarHBondContact O-CB 3.33Å; L982-N986 PolarHBondContact O-N 3.2Å; L982-N986 PolarHBondContact O-ND2 2.95Å; L982-N986 VanDerWaalsContact O-ND2 3.14Å
983D73.2Confident54.2Low88.75 Ų88.75111.5 Ų111.548%0.47559%0.594SS.*Hα-helixtrans-63.5-38.5169.8-68.2-32.1000111.1S979 N986 L987S979-D983 WeakPolarHBondContact CB-OD2 3.35Å; S979-D983 VanDerWaalsContact O-CB 3.29Å; S979-D983 WeakPolarHBondContact O-CB 3.38Å; S979-D983 PolarHBondContact O-N 3.25Å; S979-D983 PolarHBondContact OG-OD2 3.31Å; D983-N986 PolarHBondContact O-N 2.79Å; D983-L987 WeakPolarHBondContact O-CA 3.28Å; D983-L987 VanDerWaalsContact O-CB 3.22Å; D983-L987 WeakPolarHBondContact O-CB 3.41Å; D983-L987 PolarHBondContact O-N 3.15Å
984W73.4Confident54.5Low158 Ų158101.2 Ų101.260%0.59856%0.561SS**Hα-helixtrans-69.8-39.5174.5-166.8-106.2000112.5S980 E981 L982 N986 L987 T988S980-W984 WeakPolarHBondContact O-CA 3.31Å; S980-W984 VanDerWaalsContact O-CB 3.22Å; S980-W984 WeakPolarHBondContact O-CB 3.3Å; S980-W984 PolarHBondContact O-N 2.98Å; E981-W984 PolarHBondContact O-N 2.95Å; L982-W984 VanDerWaalsContact C-N 3.32Å; W984-N986 VanDerWaalsContact C-N 3.34Å; W984-N986 PolarHBondContact O-N 3.14Å; W984-L987 HydrophobicContact CE3-CB 4.43Å; W984-L987 HydrophobicContact CE3-CD1 4.35Å; W984-L987 HydrophobicContact CE3-CD2 4.09Å; W984-L987 HydrophobicContact CE3-CG 4.46Å; W984-L987 HydrophobicContact CH2-CD2 4.29Å; W984-L987 HydrophobicContact CZ3-CD1 4.14Å; W984-L987 HydrophobicContact CZ3-CD2 3.89Å; W984-L987 HydrophobicContact CZ3-CG 4.43Å; W984-L987 CarbonylContact O-C 3.54Å; W984-L987 WeakPolarHBondContact O-CA 3.32Å; W984-L987 WeakPolarHBondContact O-CB 3.43Å; W984-L987 PolarHBondContact O-N 2.96Å; W984-L987 VanDerWaalsContact O-N 3.11Å; W984-T988 HydrophobicContact CD2-CG2 4.47Å; W984-T988 HydrophobicContact CZ2-CG2 4.23Å; W984-T988 WeakPolarHBondContact O-CB 3.47Å; W984-T988 VanDerWaalsContact O-CG2 3.28Å; W984-T988 WeakPolarHBondContact O-CG2 3.41Å; W984-T988 PolarHBondContact O-N 3.15Å; W984-T988 PolarHBondContact O-OG1 3.08Å; W984-T988 VanDerWaalsContact O-OG1 3.04Å
985N74.5Confident54.8Low91.25 Ų91.25103.6 Ų103.649%0.48856%0.555SS.*Hα-helixtrans-70.3-34.5175.3-73.3-32000112.2E981 L982 L987 T988 S989E981-N985 VanDerWaalsContact O-CB 3.26Å; E981-N985 WeakPolarHBondContact O-CB 3.31Å; E981-N985 VanDerWaalsContact O-CG 3.23Å; E981-N985 PolarHBondContact O-N 3.25Å; E981-N985 PolarHBondContact O-ND2 3.06Å; E981-N985 VanDerWaalsContact O-ND2 3.1Å; L982-N985 PolarHBondContact O-N 3.2Å; N985-L987 VanDerWaalsContact C-N 3.34Å; N985-T988 VanDerWaalsContact CA-OG1 3.22Å; N985-T988 WeakPolarHBondContact CA-OG1 3.32Å; N985-T988 PolarHBondContact O-OG1 3.03Å; N985-T988 VanDerWaalsContact O-OG1 3.12Å; N985-S989 VanDerWaalsContact O-CB 3.24Å; N985-S989 WeakPolarHBondContact O-CB 3.4Å; N985-S989 PolarHBondContact O-N 3.18Å; N985-S989 PolarHBondContact O-OG 3.12Å; N985-S989 VanDerWaalsContact O-OG 3.08Å
986N68.1Low55.1Low64.5 Ų64.5105.7 Ų105.735%0.34555%0.55SS.*Hα-helixtrans-66.1-38.6168.8-75.1-25.3000110.8L982 D983 W984 S989 L990L982-N986 VanDerWaalsContact O-CB 3.25Å; L982-N986 WeakPolarHBondContact O-CB 3.33Å; L982-N986 PolarHBondContact O-N 3.2Å; L982-N986 PolarHBondContact O-ND2 2.95Å; L982-N986 VanDerWaalsContact O-ND2 3.14Å; D983-N986 PolarHBondContact O-N 2.79Å; W984-N986 VanDerWaalsContact C-N 3.34Å; W984-N986 PolarHBondContact O-N 3.14Å; N986-S989 WeakPolarHBondContact CA-OG 3.23Å; N986-S989 PolarHBondContact O-N 3.45Å; N986-S989 PolarHBondContact O-OG 3.21Å; N986-S989 VanDerWaalsContact O-OG 3.14Å; N986-L990 VanDerWaalsContact O-CB 3.23Å; N986-L990 WeakPolarHBondContact O-CB 3.32Å; N986-L990 WeakPolarHBondContact O-CD1 3.44Å; N986-L990 VanDerWaalsContact O-CG 3.3Å; N986-L990 WeakPolarHBondContact O-CG 3.33Å; N986-L990 PolarHBondContact O-N 2.91Å
987L68.5Low54.8Low75.75 Ų75.75102.9 Ų102.940%0.39753%0.529SS..Hα-helixtrans-72.8-38.8177.3-172.9148.7000111.9D983 W984 N985 L990 L991D983-L987 WeakPolarHBondContact O-CA 3.28Å; D983-L987 VanDerWaalsContact O-CB 3.22Å; D983-L987 WeakPolarHBondContact O-CB 3.41Å; D983-L987 PolarHBondContact O-N 3.15Å; W984-L987 HydrophobicContact CE3-CB 4.43Å; W984-L987 HydrophobicContact CE3-CD1 4.35Å; W984-L987 HydrophobicContact CE3-CD2 4.09Å; W984-L987 HydrophobicContact CE3-CG 4.46Å; W984-L987 HydrophobicContact CH2-CD2 4.29Å; W984-L987 HydrophobicContact CZ3-CD1 4.14Å; W984-L987 HydrophobicContact CZ3-CD2 3.89Å; W984-L987 HydrophobicContact CZ3-CG 4.43Å; W984-L987 CarbonylContact O-C 3.54Å; W984-L987 WeakPolarHBondContact O-CA 3.32Å; W984-L987 WeakPolarHBondContact O-CB 3.43Å; W984-L987 PolarHBondContact O-N 2.96Å; W984-L987 VanDerWaalsContact O-N 3.11Å; N985-L987 VanDerWaalsContact C-N 3.34Å; L987-L990 CarbonylContact O-C 3.56Å; L987-L990 PolarHBondContact O-N 3.06Å; L987-L991 HydrophobicContact CD2-CD1 3.53Å; L987-L991 VanDerWaalsContact CD2-CD1 3.46Å; L987-L991 HydrophobicContact CD2-CG 4.17Å; L987-L991 VanDerWaalsContact O-CB 3.26Å; L987-L991 WeakPolarHBondContact O-CB 3.36Å; L987-L991 VanDerWaalsContact O-CG 3.28Å; L987-L991 WeakPolarHBondContact O-CG 3.29Å; L987-L991 PolarHBondContact O-N 3.05Å
988T64.5Low54.9Low40 Ų40102.1 Ų102.125%0.24553%0.525CS..Hα-helixtrans-70.4-37.6172.452.30000111.3W984 N985 L990 L991 D992W984-T988 HydrophobicContact CD2-CG2 4.47Å; W984-T988 HydrophobicContact CZ2-CG2 4.23Å; W984-T988 WeakPolarHBondContact O-CB 3.47Å; W984-T988 VanDerWaalsContact O-CG2 3.28Å; W984-T988 WeakPolarHBondContact O-CG2 3.41Å; W984-T988 PolarHBondContact O-N 3.15Å; W984-T988 PolarHBondContact O-OG1 3.08Å; W984-T988 VanDerWaalsContact O-OG1 3.04Å; N985-T988 VanDerWaalsContact CA-OG1 3.22Å; N985-T988 WeakPolarHBondContact CA-OG1 3.32Å; N985-T988 PolarHBondContact O-OG1 3.03Å; N985-T988 VanDerWaalsContact O-OG1 3.12Å; T988-L990 VanDerWaalsContact C-N 3.33Å; T988-L990 PolarHBondContact O-N 2.92Å; T988-L991 CarbonylContact O-C 3.56Å; T988-L991 WeakPolarHBondContact O-CA 3.1Å; T988-L991 PolarHBondContact O-N 3.15Å; T988-D992 WeakPolarHBondContact O-CA 3.46Å; T988-D992 VanDerWaalsContact O-CB 3.31Å; T988-D992 WeakPolarHBondContact O-CB 3.32Å; T988-D992 VanDerWaalsContact O-CG 3.26Å; T988-D992 PolarHBondContact O-N 3.27Å
989S57.1Low54.7Low49 Ų4999.6 Ų99.634%0.34352%0.517SS..Hα-helixtrans-66.5-34.7172.263.60000112.3N985 N986 L991 L993N985-S989 VanDerWaalsContact O-CB 3.24Å; N985-S989 WeakPolarHBondContact O-CB 3.4Å; N985-S989 PolarHBondContact O-N 3.18Å; N985-S989 PolarHBondContact O-OG 3.12Å; N985-S989 VanDerWaalsContact O-OG 3.08Å; N986-S989 WeakPolarHBondContact CA-OG 3.23Å; N986-S989 PolarHBondContact O-N 3.45Å; N986-S989 PolarHBondContact O-OG 3.21Å; N986-S989 VanDerWaalsContact O-OG 3.14Å; S989-L991 VanDerWaalsContact C-N 3.34Å; S989-L993 VanDerWaalsContact O-CB 3.27Å; S989-L993 WeakPolarHBondContact O-CB 3.32Å; S989-L993 WeakPolarHBondContact O-CD1 3.37Å; S989-L993 VanDerWaalsContact O-CG 3.27Å; S989-L993 WeakPolarHBondContact O-CG 3.39Å; S989-L993 PolarHBondContact O-N 2.86Å
990L51Low54Low116 Ų116101.8 Ų101.861%0.60753%0.528SS*.Hα-helixtrans-70.1-27.6170.6-78.9166000113.4N986 L987 T988 G994N986-L990 VanDerWaalsContact O-CB 3.23Å; N986-L990 WeakPolarHBondContact O-CB 3.32Å; N986-L990 WeakPolarHBondContact O-CD1 3.44Å; N986-L990 VanDerWaalsContact O-CG 3.3Å; N986-L990 WeakPolarHBondContact O-CG 3.33Å; N986-L990 PolarHBondContact O-N 2.91Å; L987-L990 CarbonylContact O-C 3.56Å; L987-L990 PolarHBondContact O-N 3.06Å; T988-L990 VanDerWaalsContact C-N 3.33Å; T988-L990 PolarHBondContact O-N 2.92Å; L990-G994 VanDerWaalsContact O-CA 3.22Å; L990-G994 WeakPolarHBondContact O-CA 3.31Å; L990-G994 PolarHBondContact O-N 3.19Å
991L47.4Very low52.7Low83.25 Ų83.25103.8 Ų103.844%0.43653%0.526SS..Hα-helixtrans-80.5-39.1173-74.1172.7000111.6L987 T988 S989 L993 G994 Y995 L999L987-L991 HydrophobicContact CD2-CD1 3.53Å; L987-L991 VanDerWaalsContact CD2-CD1 3.46Å; L987-L991 HydrophobicContact CD2-CG 4.17Å; L987-L991 VanDerWaalsContact O-CB 3.26Å; L987-L991 WeakPolarHBondContact O-CB 3.36Å; L987-L991 VanDerWaalsContact O-CG 3.28Å; L987-L991 WeakPolarHBondContact O-CG 3.29Å; L987-L991 PolarHBondContact O-N 3.05Å; T988-L991 CarbonylContact O-C 3.56Å; T988-L991 WeakPolarHBondContact O-CA 3.1Å; T988-L991 PolarHBondContact O-N 3.15Å; S989-L991 VanDerWaalsContact C-N 3.34Å; L991-L993 VanDerWaalsContact C-N 3.32Å; L991-L993 PolarHBondContact O-N 2.94Å; L991-G994 CarbonylContact O-C 3.39Å; L991-G994 VanDerWaalsContact O-CA 3.29Å; L991-G994 WeakPolarHBondContact O-CA 3.3Å; L991-G994 PolarHBondContact O-N 3.09Å; L991-Y995 HydrophobicContact CB-CE2 4.39Å; L991-Y995 WeakPolarHBondContact O-CD2 3.4Å; L991-Y995 PolarHBondContact O-N 3.05Å; L991-L999 HydrophobicContact CD2-CD1 3.63Å; L991-L999 HydrophobicContact CG-CD1 4.48Å
992D47.9Very low51.3Low111.25 Ų111.25102.4 Ų102.460%0.59553%0.53SS*.Hα-helixtrans-72.1-36.8179.7-71.5-27.7000111.4T988 G994 Y995T988-D992 WeakPolarHBondContact O-CA 3.46Å; T988-D992 VanDerWaalsContact O-CB 3.31Å; T988-D992 WeakPolarHBondContact O-CB 3.32Å; T988-D992 VanDerWaalsContact O-CG 3.26Å; T988-D992 PolarHBondContact O-N 3.27Å; D992-G994 PolarHBondContact O-N 3.01Å; D992-Y995 WeakPolarHBondContact OD1-CE2 3.44Å
993L43.8Very low49.6Very low112 Ų112100.3 Ų100.359%0.58652%0.524SS*.THydrogen-bonded Turntrans-76.4-10.1165.5-67.9165.2000112.9S989 L991 N997S989-L993 VanDerWaalsContact O-CB 3.27Å; S989-L993 WeakPolarHBondContact O-CB 3.32Å; S989-L993 WeakPolarHBondContact O-CD1 3.37Å; S989-L993 VanDerWaalsContact O-CG 3.27Å; S989-L993 WeakPolarHBondContact O-CG 3.39Å; S989-L993 PolarHBondContact O-N 2.86Å; L991-L993 VanDerWaalsContact C-N 3.32Å; L991-L993 PolarHBondContact O-N 2.94Å; L993-N997 PolarHBondContact O-ND2 3.39Å
994G38Very low47.8Very low19 Ų19103.1 Ų103.120%0.19654%0.538CS..THydrogen-bonded Turntrans-101.13-175.500000115.1L990 L991 D992 D996 N997L990-G994 VanDerWaalsContact O-CA 3.22Å; L990-G994 WeakPolarHBondContact O-CA 3.31Å; L990-G994 PolarHBondContact O-N 3.19Å; L991-G994 CarbonylContact O-C 3.39Å; L991-G994 VanDerWaalsContact O-CA 3.29Å; L991-G994 WeakPolarHBondContact O-CA 3.3Å; L991-G994 PolarHBondContact O-N 3.09Å; D992-G994 PolarHBondContact O-N 3.01Å; G994-D996 VanDerWaalsContact C-N 3.29Å; G994-D996 PolarHBondContact O-N 3.21Å; G994-D996 VanDerWaalsContact O-N 3.15Å; G994-N997 CarbonylContact O-C 3.55Å; G994-N997 PolarHBondContact O-N 2.85Å
995Y40.7Very low46.1Very low185 Ų185104.8 Ų104.873%0.72555%0.55SS**THydrogen-bonded Turntrans-64.5-17.4-167.4-110.6-80.1000115.8L991 D992L991-Y995 HydrophobicContact CB-CE2 4.39Å; L991-Y995 WeakPolarHBondContact O-CD2 3.4Å; L991-Y995 PolarHBondContact O-N 3.05Å; D992-Y995 WeakPolarHBondContact OD1-CE2 3.44Å
996D39.9Very low44.2Very low107 Ų107106.7 Ų106.757%0.57256%0.559SS**THydrogen-bonded Turntrans-103.3-8.4175.3-78.2-17.4000113.8G994 K1075G994-D996 VanDerWaalsContact C-N 3.29Å; G994-D996 PolarHBondContact O-N 3.21Å; G994-D996 VanDerWaalsContact O-N 3.15Å; D996-K1075 WeakPolarHBondContact OD2-CE 3.3Å; D996-K1075 IonicContact OD2-NZ 3.4Å; D996-K1075 PolarHBondContact OD2-NZ 3.3Å
997N34.5Very low42.5Very low61 Ų61108.2 Ų108.233%0.32657%0.572SS.*SBendtrans-109.5122.9-171.4-68.4-18.8000112.8D925 E926 L993 G994 L999D925-N997 PolarHBondContact O-ND2 2.79Å; E926-N997 HydrophobicContact CB-CB 4.5Å; E926-N997 WeakPolarHBondContact CB-OD1 3.08Å; E926-N997 HydrophobicContact CG-CB 4.18Å; E926-N997 VanDerWaalsContact CG-ND2 3.34Å; E926-N997 WeakPolarHBondContact CG-ND2 3.37Å; E926-N997 WeakPolarHBondContact CG-OD1 3.39Å; E926-N997 VanDerWaalsContact OE1-CA 3.26Å; E926-N997 WeakPolarHBondContact OE1-CA 3.39Å; E926-N997 WeakPolarHBondContact OE1-CB 3.33Å; E926-N997 PolarHBondContact OE1-OD1 2.81Å; E926-N997 PolarHBondContact OE2-ND2 2.85Å; L993-N997 PolarHBondContact O-ND2 3.39Å; G994-N997 CarbonylContact O-C 3.55Å; G994-N997 PolarHBondContact O-N 2.85Å; N997-L999 VanDerWaalsContact C-N 3.29Å; N997-L999 PolarHBondContact O-N 3.33Å
998E39Very low41Very low173.5 Ų173.5114.8 Ų114.881%0.81160%0.598SS**  trans-45.150.1175-64.7-161.7134.600116.9E926 V1000 K1008E926-E998 PolarHBondContact OE1-N 3.43Å; E998-V1000 VanDerWaalsContact C-N 3.28Å; E998-V1000 PolarHBondContact O-N 3.19Å; E998-V1000 VanDerWaalsContact O-N 3.11Å; E998-K1008 IonicContact OE1-NZ 3.54Å; E998-K1008 PolarHBondContact OE1-NZ 3.32Å
999L36.3Very low39.5Very low137.5 Ų137.5117.3 Ų117.372%0.7262%0.617SS**  trans-80.695164.9-91.4167.5000110.7L991 N997 H1001L991-L999 HydrophobicContact CD2-CD1 3.63Å; L991-L999 HydrophobicContact CG-CD1 4.48Å; N997-L999 VanDerWaalsContact C-N 3.29Å; N997-L999 PolarHBondContact O-N 3.33Å; L999-H1001 VanDerWaalsContact C-N 3.35Å; L999-H1001 PolarHBondContact O-N 3.19Å
1000V36.4Very low38.2Very low110 Ų110119.8 Ų119.867%0.66763%0.631SS**  trans-4.879.9169.7-171.50000112.8E998 L1004E998-V1000 VanDerWaalsContact C-N 3.28Å; E998-V1000 PolarHBondContact O-N 3.19Å; E998-V1000 VanDerWaalsContact O-N 3.11Å; V1000-L1004 HydrophobicContact CG1-CD1 3.92Å; V1000-L1004 HydrophobicContact CG1-CD2 4.15Å; V1000-L1004 HydrophobicContact CG1-CG 3.82Å
1001H33.8Very low37.2Very low140.4 Ų140.4120.6 Ų120.665%0.6564%0.636SS**  trans-70.5126.3159.9-144.9-71.3000108L999 S1003 L1004L999-H1001 VanDerWaalsContact C-N 3.35Å; L999-H1001 PolarHBondContact O-N 3.19Å; H1001-S1003 VanDerWaalsContact CB-OG 3.26Å; H1001-S1003 WeakPolarHBondContact CB-OG 3.08Å; H1001-S1003 PolarHBondContact ND1-OG 3.16Å; H1001-S1003 PolarHBondContact O-N 3.17Å; H1001-L1004 PolarHBondContact O-N 2.76Å
1002P35.8Very low36.6Very low121.2 Ų121.2124.6 Ų124.679%0.78766%0.657SS**SBendtrans-70.825.3-176.927.8-34.3000113.8L1004P1002-L1004 PolarHBondContact O-N 3.1Å
1003S37.9Very low35.8Very low61 Ų61126.7 Ų126.743%0.42767%0.667SS.*  trans-112.730.1-178.353.30000112.4H1001 F1005 L1006H1001-S1003 VanDerWaalsContact CB-OG 3.26Å; H1001-S1003 WeakPolarHBondContact CB-OG 3.08Å; H1001-S1003 PolarHBondContact ND1-OG 3.16Å; H1001-S1003 PolarHBondContact O-N 3.17Å; S1003-F1005 PolarHBondContact O-N 3.07Å; S1003-L1006 PolarHBondContact O-N 3.03Å
1004L35.2Very low35.2Very low147.8 Ų147.8129.4 Ų129.477%0.77467%0.674SS**THydrogen-bonded Turntrans-68.317173.7-79.5170.7000114.5V1000 H1001 P1002V1000-L1004 HydrophobicContact CG1-CD1 3.92Å; V1000-L1004 HydrophobicContact CG1-CD2 4.15Å; V1000-L1004 HydrophobicContact CG1-CG 3.82Å; H1001-L1004 PolarHBondContact O-N 2.76Å; P1002-L1004 PolarHBondContact O-N 3.1Å
1005F37.6Very low34.9Very low195.4 Ų195.4133.8 Ų133.886%0.85770%0.697SS**THydrogen-bonded Turntrans-126.44.4179.9-76.5-69.7000115.9S1003S1003-F1005 PolarHBondContact O-N 3.07Å
1006L33.9Very low34.4Very low130.6 Ų130.6134.6 Ų134.668%0.68470%0.704SS**SBendtrans-128.3130.6173-8394.5000112.7S1003S1003-L1006 PolarHBondContact O-N 3.03Å
1007P34.3Very low34Very low94.8 Ų94.8137.2 Ų137.262%0.61672%0.715SS**  trans-70.6142.3174.130.3-32.8000110.5S1009P1007-S1009 PolarHBondContact O-N 3.05Å
1008K36.5Very low33.8Very low214.6 Ų214.6140.7 Ų140.793%0.93373%0.734SS**SBendtrans-65.334179.4-75.7-176.6174.5177.90114.8E998E998-K1008 IonicContact OE1-NZ 3.54Å; E998-K1008 PolarHBondContact OE1-NZ 3.32Å
1009S31.9Very low33.6Very low93.4 Ų93.4140.1 Ų140.165%0.65373%0.729SS**  trans-12230.4-176.759.90000113.9P1007P1007-S1009 PolarHBondContact O-N 3.05Å
1010T30Very low33.5Very low101.6 Ų101.6140.6 Ų140.662%0.62373%0.732SS**  trans-14686.1169.436.40000111.7L1012T1010-L1012 PolarHBondContact O-N 2.91Å
1011N30.9Very low33.5Very low132.4 Ų132.4143.8 Ų143.871%0.70874%0.737SS**  trans-13258158.5-87.1-16.8000112.7L1013 F1014 T1015N1011-L1013 VanDerWaalsContact C-N 3.31Å; N1011-L1013 PolarHBondContact O-N 3.26Å; N1011-F1014 PolarHBondContact OD1-O 3.38Å; N1011-T1015 PolarHBondContact O-OG1 2.87Å
1012L33.7Very low33.5Very low167.6 Ų167.6142.8 Ų142.888%0.87774%0.737SS**THydrogen-bonded Turntrans-85.138.1162.3-94.4160.3000110.9T1010 F1014T1010-L1012 PolarHBondContact O-N 2.91Å; L1012-F1014 HydrophobicContact CD2-CD2 3.64Å; L1012-F1014 HydrophobicContact CD2-CE2 4.29Å; L1012-F1014 PolarHBondContact O-N 3.05Å
1013L31Very low33.5Very low155.2 Ų155.2142.8 Ų142.881%0.81373%0.73SS**THydrogen-bonded Turntrans-135.311.3169.4-85.3168000113.9N1011N1011-L1013 VanDerWaalsContact C-N 3.31Å; N1011-L1013 PolarHBondContact O-N 3.26Å
1014F31.2Very low33.4Very low169.2 Ų169.2144.5 Ų144.574%0.74274%0.741SS**  trans-118.474.4169.7-85.5-85.4000110.3N1011 L1012 K1016 M1017N1011-F1014 PolarHBondContact OD1-O 3.38Å; L1012-F1014 HydrophobicContact CD2-CD2 3.64Å; L1012-F1014 HydrophobicContact CD2-CE2 4.29Å; L1012-F1014 PolarHBondContact O-N 3.05Å; F1014-K1016 PolarHBondContact O-N 3.38Å; F1014-M1017 PolarHBondContact O-N 3.01Å
1015T31.9Very low33.5Very low110.4 Ų110.4145.2 Ų145.268%0.67774%0.738SS**  trans-92.887.3151.547.60000113.2N1011 M1017 F1019N1011-T1015 PolarHBondContact O-OG1 2.87Å; T1015-M1017 PolarHBondContact O-N 3.11Å; T1015-F1019 WeakPolarHBondContact O-CE2 3.33Å
1016K31.6Very low33.4Very low201.4 Ų201.4144.8 Ų144.888%0.87673%0.731SS**  trans-101.544.5159-129.9179.4-177.3-179.60112.8F1014F1014-K1016 PolarHBondContact O-N 3.38Å
1017M29.8Very low33.6Very low163 Ų163145.5 Ų145.580%0.80374%0.736SS**SBendtrans-128.699.8170.5-79.4-152.3162.600109.9F1014 T1015F1014-M1017 PolarHBondContact O-N 3.01Å; T1015-M1017 PolarHBondContact O-N 3.11Å
1018D30.6Very low34.1Very low134.6 Ų134.6146.7 Ų146.772%0.7273%0.733SS**SBendtrans4957.1157.4-59-22.9000118D1020 N1022D1018-D1020 VanDerWaalsContact C-N 3.31Å; D1018-N1022 PolarHBondContact O-ND2 3.36Å
1019F35.1Very low34.6Very low160.2 Ų160.2142.9 Ų142.970%0.70372%0.716SS**  trans-104.7-3160-96.5-84.6000113.9T1015 K1021 N1022T1015-F1019 WeakPolarHBondContact O-CE2 3.33Å; F1019-K1021 VanDerWaalsContact C-N 3.33Å; F1019-K1021 PolarHBondContact O-N 3.2Å; F1019-N1022 PolarHBondContact O-N 3.09Å
1020D34.1Very low35.8Very low147.6 Ų147.6142.5 Ų142.579%0.78970%0.704SS**THydrogen-bonded Turntrans-76.39.4-175.7-74.8-24.3000115.1D1018D1018-D1020 VanDerWaalsContact C-N 3.31Å
1021K36Very low36.9Very low176.6 Ų176.6138.7 Ų138.777%0.76868%0.681SS**THydrogen-bonded Turntrans-112.2-13.9175.2-75.6-172.9176.7179.20115.2F1019 L1023 S1024F1019-K1021 VanDerWaalsContact C-N 3.33Å; F1019-K1021 PolarHBondContact O-N 3.2Å; K1021-L1023 PolarHBondContact O-N 3.34Å; K1021-S1024 PolarHBondContact O-N 2.79Å; K1021-S1024 PolarHBondContact O-OG 3.07Å
1022N33.6Very low38.4Very low120 Ų120133 Ų13364%0.64265%0.651SS**SBendtrans-97-2.8178-70.3-12.3000113.4D1018 F1019 S1024D1018-N1022 PolarHBondContact O-ND2 3.36Å; F1019-N1022 PolarHBondContact O-N 3.09Å; N1022-S1024 VanDerWaalsContact C-N 3.31Å; N1022-S1024 PolarHBondContact O-N 3.04Å
1023L36.4Very low39.7Very low122 Ų122127.6 Ų127.664%0.63962%0.619SS**G310 helixtrans-72.8-17174.1-93.5113.1000113.9K1021 F1025 R1026K1021-L1023 PolarHBondContact O-N 3.34Å; L1023-F1025 VanDerWaalsContact C-N 3.3Å; L1023-F1025 PolarHBondContact O-N 2.97Å; L1023-F1025 VanDerWaalsContact O-N 3.08Å; L1023-R1026 PolarHBondContact O-N 3.1Å
1024S35.4Very low41.5Very low95.2 Ų95.2120.5 Ų120.567%0.66658%0.582SS**G310 helixtrans-82.81-177.959.60000115.3K1021 N1022K1021-S1024 PolarHBondContact O-N 2.79Å; K1021-S1024 PolarHBondContact O-OG 3.07Å; N1022-S1024 VanDerWaalsContact C-N 3.31Å; N1022-S1024 PolarHBondContact O-N 3.04Å
1025F37.6Very low43Very low163 Ų163114.7 Ų114.772%0.71556%0.563SS**G310 helixtrans-112.7-5.8178-101.4-84.6000114.3L1023 D1027L1023-F1025 VanDerWaalsContact C-N 3.3Å; L1023-F1025 PolarHBondContact O-N 2.97Å; L1023-F1025 VanDerWaalsContact O-N 3.08Å; F1025-D1027 VanDerWaalsContact C-N 3.3Å; F1025-D1027 PolarHBondContact O-N 3.09Å
1026R35.9Very low44.7Very low188 Ų188113.9 Ų113.971%0.70955%0.548SS*.THydrogen-bonded Turntrans-85.1-2.4-176-111-177-178.4-165.6-1.5115.6L1023 Q1028 H1106L1023-R1026 PolarHBondContact O-N 3.1Å; R1026-Q1028 VanDerWaalsContact C-N 3.31Å; R1026-Q1028 PolarHBondContact O-N 3.05Å; R1026-H1106 PolarHBondContact O-CE1 2.86Å; R1026-H1106 VanDerWaalsContact O-CE1 3.29Å; R1026-H1106 PolarHBondContact O-ND1 3.18Å
1027D38.3Very low46.3Very low144.8 Ų144.8106.8 Ų106.877%0.77452%0.521SS*.THydrogen-bonded Turntrans-87.56.7-179.1-79.5-21.3000114.5F1025 K1029F1025-D1027 VanDerWaalsContact C-N 3.3Å; F1025-D1027 PolarHBondContact O-N 3.09Å; D1027-K1029 VanDerWaalsContact C-N 3.33Å; D1027-K1029 PolarHBondContact O-N 3.15Å; D1027-K1029 VanDerWaalsContact O-N 3.1Å
1028Q44Very low48.1Very low119.8 Ų119.8104.5 Ų104.556%0.5650%0.503SS*.  trans-75.296.4173.9-70.7-171.43.600110.5R1026 Q1030R1026-Q1028 VanDerWaalsContact C-N 3.31Å; R1026-Q1028 PolarHBondContact O-N 3.05Å; Q1028-Q1030 PolarHBondContact O-N 3.05Å
1029K48.4Very low49.8Very low134.6 Ų134.6103.7 Ų103.759%0.58550%0.499SS*.  trans-60.2126.3167.2-75.9-174.5170.5-166.90109.8D1027 T1031 H1106 S1108D1027-K1029 VanDerWaalsContact C-N 3.33Å; D1027-K1029 PolarHBondContact O-N 3.15Å; D1027-K1029 VanDerWaalsContact O-N 3.1Å; K1029-T1031 PolarHBondContact O-N 3.12Å; K1029-T1031 VanDerWaalsContact O-N 3.14Å; K1029-H1106 CarbonylContact C-O 3.58Å; K1029-H1106 WeakPolarHBondContact CA-O 3.26Å; K1029-S1108 PolarHBondContact NZ-OG 3.34Å; K1029-S1108 VanDerWaalsContact NZ-OG 3.12Å
1030Q56.1Low51.7Low85.6 Ų85.698.4 Ų98.440%0.448%0.478SS..EExtended strand (participates in β ladder)trans-78.9105.8174.4-125.7175.6-2.200108.6H947 Q1028 V1032 H1106 S1108H947-Q1030 VanDerWaalsContact NE2-CG 3.27Å; H947-Q1030 WeakPolarHBondContact NE2-CG 3.39Å; H947-Q1030 PolarHBondContact NE2-NE2 3.35Å; Q1028-Q1030 PolarHBondContact O-N 3.05Å; Q1030-V1032 PolarHBondContact O-N 3.26Å; Q1030-H1106 PolarHBondContact N-O 3.15Å; Q1030-S1108 PolarHBondContact O-N 3.1Å; Q1030-S1108 PolarHBondContact O-OG 3.02Å
1031T53.9Low53.8Low21 Ų2196 Ų9613%0.12947%0.471CS..EExtended strand (participates in β ladder)trans-88.2112177.544.20000110.6R948 K1029 S1108 V1110R948-T1031 PolarHBondContact N-O 3.38Å; R948-T1031 PolarHBondContact O-OG1 3.33Å; K1029-T1031 PolarHBondContact O-N 3.12Å; K1029-T1031 VanDerWaalsContact O-N 3.14Å; T1031-S1108 CarbonylContact C-O 3.54Å; T1031-S1108 VanDerWaalsContact CA-O 3.32Å; T1031-S1108 WeakPolarHBondContact CA-O 3.28Å; T1031-S1108 WeakPolarHBondContact CG2-OG 3.41Å; T1031-V1110 HydrophobicContact CG2-CG2 4.33Å
1032V62Low55.7Low12.8 Ų12.890.8 Ų90.88%0.07845%0.451CS..EExtended strand (participates in β ladder)trans-98118.4177.4-175.10000108.4Y923 L945 Q1030 I1107 S1108 L1109 V1110Y923-V1032 HydrophobicContact CD2-CG1 4.37Å; Y923-V1032 HydrophobicContact CE1-CG1 4.14Å; Y923-V1032 HydrophobicContact CE1-CG2 3.87Å; Y923-V1032 HydrophobicContact CE2-CB 4.49Å; Y923-V1032 HydrophobicContact CE2-CG1 3.63Å; Y923-V1032 HydrophobicContact CE2-CG2 4.43Å; Y923-V1032 WeakPolarHBondContact OH-CG2 3.19Å; L945-V1032 HydrophobicContact CB-CG1 4.41Å; L945-V1032 HydrophobicContact CD1-CG1 3.94Å; L945-V1032 VanDerWaalsContact CD1-CG1 3.48Å; L945-V1032 HydrophobicContact CD2-CG1 3.73Å; L945-V1032 HydrophobicContact CG-CG1 3.67Å; L945-V1032 VanDerWaalsContact CG-CG1 3.47Å; Q1030-V1032 PolarHBondContact O-N 3.26Å; V1032-I1107 HydrophobicContact CG2-CG2 3.98Å; V1032-S1108 PolarHBondContact N-O 3.17Å; V1032-L1109 HydrophobicContact CB-CD1 4.15Å; V1032-L1109 HydrophobicContact CB-CD2 3.99Å; V1032-L1109 HydrophobicContact CB-CG 4.3Å; V1032-L1109 HydrophobicContact CG1-CD1 4.12Å; V1032-L1109 HydrophobicContact CG1-CD2 3.8Å; V1032-L1109 HydrophobicContact CG2-CD1 4.24Å; V1032-L1109 WeakPolarHBondContact O-CA 3.32Å; V1032-V1110 PolarHBondContact O-N 3.12Å
1033Y61.1Low57.9Low55 Ų5585.1 Ų85.122%0.21642%0.421CS..EExtended strand (participates in β ladder)trans-96.7126.2179.4-72.3-94000110.3L945 S946 R948 S1035 V1110 E1112L945-Y1033 CarbonylContact C-O 3.51Å; L945-Y1033 WeakPolarHBondContact CA-O 3.39Å; S946-Y1033 PolarHBondContact N-O 3.14Å; S946-Y1033 PolarHBondContact O-N 3.17Å; S946-Y1033 WeakPolarHBondContact OG-CB 3.29Å; S946-Y1033 PolarHBondContact OG-O 3.05Å; R948-Y1033 HydrophobicContact CB-CD2 4.37Å; R948-Y1033 HydrophobicContact CB-CE2 4.15Å; R948-Y1033 HydrophobicContact CG-CE2 4.43Å; Y1033-S1035 PolarHBondContact O-N 3.26Å; Y1033-V1110 WeakPolarHBondContact CA-O 3.42Å; Y1033-V1110 HydrophobicContact CD1-CB 3.96Å; Y1033-V1110 HydrophobicContact CD1-CG1 4.05Å; Y1033-V1110 HydrophobicContact CE1-CB 3.95Å; Y1033-V1110 HydrophobicContact CE1-CG1 3.82Å; Y1033-V1110 HydrophobicContact CE1-CG2 4.33Å; Y1033-V1110 HydrophobicContact CG-CB 4.44Å; Y1033-E1112 HydrophobicContact CD1-CG 4.22Å
1034L68.4Low60Low6 Ų682.1 Ų82.13%0.03140%0.404CS..EExtended strand (participates in β ladder)trans-93.4106.9173.6-169.385000109.2F943 S944 L945 V1037 I1087 L1109 V1110 T1111 E1112F943-L1034 HydrophobicContact CB-CD1 3.92Å; F943-L1034 HydrophobicContact CB-CG 4.29Å; F943-L1034 HydrophobicContact CD1-CD1 4.11Å; F943-L1034 HydrophobicContact CD1-CD2 3.83Å; F943-L1034 VanDerWaalsContact CD1-CD2 3.47Å; F943-L1034 HydrophobicContact CD1-CG 4.07Å; F943-L1034 HydrophobicContact CE1-CD2 3.88Å; F943-L1034 HydrophobicContact CG-CD1 4.16Å; F943-L1034 HydrophobicContact CG-CD2 4.23Å; F943-L1034 HydrophobicContact CG-CG 4.4Å; S944-L1034 WeakPolarHBondContact O-CD1 3.29Å; L945-L1034 HydrophobicContact CD1-CD1 3.81Å; L945-L1034 HydrophobicContact CD2-CD1 4.4Å; L1034-V1037 HydrophobicContact CD2-CG2 4.43Å; L1034-I1087 HydrophobicContact CD1-CD1 4.09Å; L1034-I1087 HydrophobicContact CD1-CG1 4.29Å; L1034-I1087 HydrophobicContact CD2-CD1 3.89Å; L1034-I1087 HydrophobicContact CD2-CG1 3.72Å; L1034-L1109 HydrophobicContact CB-CD2 4.17Å; L1034-L1109 HydrophobicContact CD1-CD2 4.05Å; L1034-L1109 HydrophobicContact CD2-CD2 4.44Å; L1034-V1110 PolarHBondContact N-O 3.21Å; L1034-V1110 VanDerWaalsContact N-O 3.15Å; L1034-T1111 HydrophobicContact CB-CG2 4.23Å; L1034-T1111 HydrophobicContact CD2-CG2 4.03Å; L1034-T1111 HydrophobicContact CG-CG2 4.45Å; L1034-E1112 PolarHBondContact O-N 2.97Å
1035S63.8Low62.2Low48 Ų4880.9 Ų80.934%0.33639%0.389SS..EExtended strand (participates in β ladder)trans-91-36.4-175.343.70000112.7F943 S944 Y1033 V1037F943-S1035 WeakPolarHBondContact CA-O 3.33Å; S944-S1035 WeakPolarHBondContact CB-OG 3.41Å; S944-S1035 PolarHBondContact N-O 3.11Å; S944-S1035 PolarHBondContact O-N 3.23Å; S944-S1035 VanDerWaalsContact O-N 3.09Å; S944-S1035 PolarHBondContact O-OG 2.87Å; S944-S1035 VanDerWaalsContact O-OG 3.11Å; S944-S1035 WeakPolarHBondContact OG-CB 3.35Å; S944-S1035 PolarHBondContact OG-O 3.44Å; S944-S1035 PolarHBondContact OG-OG 3.18Å; Y1033-S1035 PolarHBondContact O-N 3.26Å; S1035-V1037 WeakPolarHBondContact OG-CG2 3.44Å
1036Y66.5Low64.3Low93 Ų9373.5 Ų73.537%0.36536%0.357SS..EExtended strand (participates in β ladder)trans-132.6141174.3139.4-93.6000110.1F943 S944 R1038 D1039 H1044 L1047 F1115F943-Y1036 HydrophobicContact CD1-CD2 4.19Å; F943-Y1036 HydrophobicContact CE1-CD2 4.06Å; S944-Y1036 PolarHBondContact N-O 3.36Å; S944-Y1036 WeakPolarHBondContact OG-CB 3.37Å; S944-Y1036 WeakPolarHBondContact OG-CD1 3.45Å; S944-Y1036 VanDerWaalsContact OG-CE1 3.25Å; S944-Y1036 WeakPolarHBondContact OG-CE1 3.48Å; S944-Y1036 PolarHBondContact OG-N 3.39Å; S944-Y1036 VanDerWaalsContact OG-N 3.12Å; S944-Y1036 PolarHBondContact OG-O 3.22Å; Y1036-R1038 HydrophobicContact CD2-CG 4.43Å; Y1036-R1038 HydrophobicContact CE1-CB 4.01Å; Y1036-R1038 HydrophobicContact CE1-CG 4.45Å; Y1036-R1038 HydrophobicContact CE2-CG 3.75Å; Y1036-R1038 VanDerWaalsContact CZ-O 3.32Å; Y1036-R1038 PolarHBondContact OH-O 3.37Å; Y1036-D1039 HydrophobicContact CE1-CB 4.3Å; Y1036-D1039 WeakPolarHBondContact CE1-OD1 3.42Å; Y1036-D1039 VanDerWaalsContact CZ-OD1 3.3Å; Y1036-D1039 PolarHBondContact OH-OD1 3.11Å; Y1036-H1044 PolarHBondContact OH-CE1 2.98Å; Y1036-L1047 HydrophobicContact CE2-CD2 4.14Å; Y1036-F1115 HydrophobicContact CD2-CB 4.32Å; Y1036-F1115 HydrophobicContact CD2-CE2 4.44Å; Y1036-F1115 HydrophobicContact CD2-CZ 4.09Å; Y1036-F1115 HydrophobicContact CG-CB 4.49Å
1037V66.1Low66.6Low51.8 Ų51.864.9 Ų64.931%0.31433%0.325SS..EExtended strand (participates in β ladder)trans-11392.2-178.5-178.90000110.2G942 F943 S944 L1034 S1035 L1047 V1113G942-V1037 CarbonylContact O-C 3.58Å; G942-V1037 WeakPolarHBondContact O-CA 3.42Å; G942-V1037 PolarHBondContact O-N 3.2Å; G942-V1037 VanDerWaalsContact O-N 3.12Å; F943-V1037 HydrophobicContact CD1-CG2 4.17Å; F943-V1037 HydrophobicContact CE1-CG2 4.3Å; S944-V1037 VanDerWaalsContact OG-CG2 3.24Å; S944-V1037 WeakPolarHBondContact OG-CG2 3.42Å; L1034-V1037 HydrophobicContact CD2-CG2 4.43Å; S1035-V1037 WeakPolarHBondContact OG-CG2 3.44Å; V1037-L1047 HydrophobicContact CG1-CD2 4.36Å; V1037-V1113 HydrophobicContact CG2-CB 4.48Å; V1037-V1113 HydrophobicContact CG2-CG1 4.13Å
1038R67Low68.8Low114.8 Ų114.858.8 Ų58.843%0.43329%0.294SS..  trans-102.2117.6-176.3-114.8-175.6167.2166.21.8112.4R889 G942 Y1036 D1040 S1043R889-R1038 VanDerWaalsContact NH2-NH1 3.17Å; G942-R1038 PolarHBondContact O-N 3.11Å; Y1036-R1038 HydrophobicContact CD2-CG 4.43Å; Y1036-R1038 HydrophobicContact CE1-CB 4.01Å; Y1036-R1038 HydrophobicContact CE1-CG 4.45Å; Y1036-R1038 HydrophobicContact CE2-CG 3.75Å; Y1036-R1038 VanDerWaalsContact CZ-O 3.32Å; Y1036-R1038 PolarHBondContact OH-O 3.37Å; R1038-D1040 VanDerWaalsContact C-N 3.3Å; R1038-D1040 WeakPolarHBondContact CD-OD1 3.42Å; R1038-D1040 WeakPolarHBondContact CD-OD2 3.34Å; R1038-D1040 HydrophobicContact CG-CB 4.41Å; R1038-D1040 WeakPolarHBondContact CG-OD1 3.36Å; R1038-D1040 WeakPolarHBondContact CG-OD2 3.12Å; R1038-D1040 IonicContact CZ-OD1 2.72Å; R1038-D1040 IonicContact NE-OD1 3.08Å; R1038-D1040 PolarHBondContact NE-OD1 3.04Å; R1038-D1040 VanDerWaalsContact NE-OD1 3.09Å; R1038-D1040 IonicContact NE-OD2 3.36Å; R1038-D1040 PolarHBondContact NE-OD2 3.21Å; R1038-D1040 PolarHBondContact O-N 3.12Å; R1038-S1043 PolarHBondContact O-OG 2.69Å; R1038-S1043 VanDerWaalsContact O-OG 3.13Å
1039D66.4Low70.9Confident118.6 Ų118.654.3 Ų54.363%0.63427%0.273SS*.  trans-91.844.3177.9-78.4-24000113.1Y1036 H1044Y1036-D1039 HydrophobicContact CE1-CB 4.3Å; Y1036-D1039 WeakPolarHBondContact CE1-OD1 3.42Å; Y1036-D1039 VanDerWaalsContact CZ-OD1 3.3Å; Y1036-D1039 PolarHBondContact OH-OD1 3.11Å; D1039-H1044 WeakPolarHBondContact CA-NE2 3.35Å; D1039-H1044 IonicContact OD1-CE1 2.93Å; D1039-H1044 PolarHBondContact OD1-CE1 3.1Å; D1039-H1044 IonicContact OD1-NE2 3.26Å; D1039-H1044 PolarHBondContact OD1-NE2 3.31Å
1040D75.2Confident72.8Confident47.4 Ų47.447.9 Ų47.925%0.25325%0.245SC..  trans-83.5142.7173.4-12.3-65.1000110.9R889 R1038 D1042 S1043 H1044R889-D1040 IonicContact NH1-OD2 3.51Å; R889-D1040 PolarHBondContact NH1-OD2 3.21Å; R1038-D1040 VanDerWaalsContact C-N 3.3Å; R1038-D1040 WeakPolarHBondContact CD-OD1 3.42Å; R1038-D1040 WeakPolarHBondContact CD-OD2 3.34Å; R1038-D1040 HydrophobicContact CG-CB 4.41Å; R1038-D1040 WeakPolarHBondContact CG-OD1 3.36Å; R1038-D1040 WeakPolarHBondContact CG-OD2 3.12Å; R1038-D1040 IonicContact CZ-OD1 2.72Å; R1038-D1040 IonicContact NE-OD1 3.08Å; R1038-D1040 PolarHBondContact NE-OD1 3.04Å; R1038-D1040 VanDerWaalsContact NE-OD1 3.09Å; R1038-D1040 IonicContact NE-OD2 3.36Å; R1038-D1040 PolarHBondContact NE-OD2 3.21Å; R1038-D1040 PolarHBondContact O-N 3.12Å; D1040-D1042 VanDerWaalsContact C-N 3.27Å; D1040-D1042 PolarHBondContact O-N 3.25Å; D1040-D1042 VanDerWaalsContact O-N 3.12Å; D1040-D1042 WeakPolarHBondContact OD2-CB 3.49Å; D1040-D1042 PolarHBondContact OD2-N 2.89Å; D1040-S1043 PolarHBondContact N-OG 2.87Å; D1040-S1043 WeakPolarHBondContact O-CA 3Å; D1040-S1043 WeakPolarHBondContact O-CB 3.44Å; D1040-S1043 PolarHBondContact O-N 3.21Å; D1040-S1043 PolarHBondContact O-OG 3.27Å; D1040-S1043 VanDerWaalsContact OD1-CB 3.27Å; D1040-S1043 WeakPolarHBondContact OD1-CB 3.38Å; D1040-S1043 PolarHBondContact OD1-OG 3.21Å; D1040-S1043 WeakPolarHBondContact OD2-CB 3.28Å; D1040-S1043 PolarHBondContact OD2-N 3.19Å; D1040-S1043 PolarHBondContact OD2-OG 2.83Å; D1040-H1044 PolarHBondContact O-CD2 3.18Å; D1040-H1044 VanDerWaalsContact O-CD2 3.28Å; D1040-H1044 PolarHBondContact O-N 3.18Å
1041P77.4Confident74.3Confident98.8 Ų98.843.8 Ų43.864%0.64223%0.226SC*.Hα-helixtrans-59.7-34.2-179.524-34.1000112.7S1043 H1044 I1045P1041-S1043 VanDerWaalsContact C-N 3.31Å; P1041-S1043 PolarHBondContact O-N 3.37Å; P1041-H1044 PolarHBondContact O-N 2.98Å; P1041-I1045 WeakPolarHBondContact O-CG1 3.37Å; P1041-I1045 PolarHBondContact O-N 3.09Å; P1041-I1045 VanDerWaalsContact O-N 3.16Å
1042D76.9Confident75.9Confident65.6 Ų65.643.1 Ų43.135%0.35122%0.221SC..Hα-helixtrans-66.2-37.6175.3-76.5-9.4000112.2L885 R889 D1040 I1045 V1046L885-D1042 HydrophobicContact CD1-CB 4.31Å; L885-D1042 VanDerWaalsContact CD1-CG 3.45Å; L885-D1042 WeakPolarHBondContact CD1-OD2 3.09Å; L885-D1042 HydrophobicContact CD2-CB 3.94Å; L885-D1042 WeakPolarHBondContact CD2-OD1 3.34Å; L885-D1042 HydrophobicContact CG-CB 4.47Å; R889-D1042 IonicContact CZ-OD2 2.89Å; R889-D1042 IonicContact NE-OD2 3.87Å; R889-D1042 VanDerWaalsContact NH1-CB 3.33Å; R889-D1042 IonicContact NH2-OD2 2.66Å; R889-D1042 PolarHBondContact NH2-OD2 3.42Å; D1040-D1042 VanDerWaalsContact C-N 3.27Å; D1040-D1042 PolarHBondContact O-N 3.25Å; D1040-D1042 VanDerWaalsContact O-N 3.12Å; D1040-D1042 WeakPolarHBondContact OD2-CB 3.49Å; D1040-D1042 PolarHBondContact OD2-N 2.89Å; D1042-I1045 PolarHBondContact O-N 2.94Å; D1042-V1046 PolarHBondContact O-N 3.14Å
1043S79.6Confident77.3Confident1.6 Ų1.642.5 Ų42.51%0.01122%0.218CC..Hα-helixtrans-74.1-35.7178.8-44.20000111.3R889 A940 R1038 D1040 P1041 I1045 V1046 L1047R889-S1043 PolarHBondContact NH1-OG 3.32Å; R889-S1043 VanDerWaalsContact NH1-OG 3.14Å; R889-S1043 PolarHBondContact NH2-OG 3Å; A940-S1043 VanDerWaalsContact O-CA 3.27Å; A940-S1043 WeakPolarHBondContact O-CA 3.32Å; A940-S1043 WeakPolarHBondContact O-CB 3.39Å; A940-S1043 PolarHBondContact O-OG 3.48Å; R1038-S1043 PolarHBondContact O-OG 2.69Å; R1038-S1043 VanDerWaalsContact O-OG 3.13Å; D1040-S1043 PolarHBondContact N-OG 2.87Å; D1040-S1043 WeakPolarHBondContact O-CA 3Å; D1040-S1043 WeakPolarHBondContact O-CB 3.44Å; D1040-S1043 PolarHBondContact O-N 3.21Å; D1040-S1043 PolarHBondContact O-OG 3.27Å; D1040-S1043 VanDerWaalsContact OD1-CB 3.27Å; D1040-S1043 WeakPolarHBondContact OD1-CB 3.38Å; D1040-S1043 PolarHBondContact OD1-OG 3.21Å; D1040-S1043 WeakPolarHBondContact OD2-CB 3.28Å; D1040-S1043 PolarHBondContact OD2-N 3.19Å; D1040-S1043 PolarHBondContact OD2-OG 2.83Å; P1041-S1043 VanDerWaalsContact C-N 3.31Å; P1041-S1043 PolarHBondContact O-N 3.37Å; S1043-I1045 VanDerWaalsContact C-N 3.32Å; S1043-I1045 PolarHBondContact O-N 3.04Å; S1043-V1046 PolarHBondContact O-N 3.05Å; S1043-L1047 VanDerWaalsContact O-CB 3.27Å; S1043-L1047 WeakPolarHBondContact O-CB 3.28Å; S1043-L1047 PolarHBondContact O-N 3.3Å
1044H79.4Confident78.7Confident59.6 Ų59.639.9 Ų39.928%0.27621%0.207SC..Hα-helixtrans-60.6-36.9171.2-73.5-57.3000113Y1036 D1039 D1040 P1041 L1047 S1048Y1036-H1044 PolarHBondContact OH-CE1 2.98Å; D1039-H1044 WeakPolarHBondContact CA-NE2 3.35Å; D1039-H1044 IonicContact OD1-CE1 2.93Å; D1039-H1044 PolarHBondContact OD1-CE1 3.1Å; D1039-H1044 IonicContact OD1-NE2 3.26Å; D1039-H1044 PolarHBondContact OD1-NE2 3.31Å; D1040-H1044 PolarHBondContact O-CD2 3.18Å; D1040-H1044 VanDerWaalsContact O-CD2 3.28Å; D1040-H1044 PolarHBondContact O-N 3.18Å; P1041-H1044 PolarHBondContact O-N 2.98Å; H1044-L1047 PolarHBondContact O-N 3.04Å; H1044-S1048 VanDerWaalsContact O-CB 3.29Å; H1044-S1048 WeakPolarHBondContact O-CB 3.37Å; H1044-S1048 PolarHBondContact O-N 3.13Å
1045I81.5Confident79.8Confident69.6 Ų69.639.7 Ų39.736%0.35721%0.206SC..Hα-helixtrans-61.4-47176.3-68.4164.3000110.4A882 L885 P1041 D1042 S1043 S1048 H1049A882-I1045 HydrophobicContact CB-CG2 3.86Å; L885-I1045 HydrophobicContact CD2-CB 4.3Å; L885-I1045 HydrophobicContact CD2-CD1 4.21Å; L885-I1045 HydrophobicContact CD2-CG2 4.35Å; P1041-I1045 WeakPolarHBondContact O-CG1 3.37Å; P1041-I1045 PolarHBondContact O-N 3.09Å; P1041-I1045 VanDerWaalsContact O-N 3.16Å; D1042-I1045 PolarHBondContact O-N 2.94Å; S1043-I1045 VanDerWaalsContact C-N 3.32Å; S1043-I1045 PolarHBondContact O-N 3.04Å; I1045-S1048 PolarHBondContact O-N 3.06Å; I1045-S1048 PolarHBondContact O-OG 3.06Å; I1045-H1049 PolarHBondContact O-CD2 3.29Å; I1045-H1049 VanDerWaalsContact O-CD2 3.3Å
1046V82.1Confident81Confident7 Ų737.4 Ų37.44%0.04219%0.19CC..Hα-helixtrans-67.7-45.3179-178.50000110.9L886 A940 D1042 S1043 S1048 H1049 L1050 I1053L886-V1046 HydrophobicContact CD1-CG1 3.95Å; L886-V1046 HydrophobicContact CD1-CG2 3.92Å; A940-V1046 HydrophobicContact CB-CG1 4.4Å; A940-V1046 HydrophobicContact CB-CG2 4.48Å; A940-V1046 VanDerWaalsContact O-CB 3.27Å; A940-V1046 WeakPolarHBondContact O-CB 3.42Å; D1042-V1046 PolarHBondContact O-N 3.14Å; S1043-V1046 PolarHBondContact O-N 3.05Å; V1046-S1048 VanDerWaalsContact C-N 3.3Å; V1046-S1048 PolarHBondContact O-N 3.17Å; V1046-H1049 CarbonylContact O-C 3.56Å; V1046-H1049 PolarHBondContact O-N 3.14Å; V1046-H1049 VanDerWaalsContact O-N 3.1Å; V1046-L1050 PolarHBondContact O-N 3.16Å; V1046-I1053 HydrophobicContact CG1-CD1 3.85Å
1047L83.7Confident82.3Confident6.6 Ų6.633 Ų334%0.03517%0.173CC..Hα-helixtrans-58.2-41.1177.5-177.763.4000111.8F943 Y1036 V1037 S1043 H1044 H1049 L1050 F1115 L1120F943-L1047 HydrophobicContact CE1-CD1 4.29Å; F943-L1047 HydrophobicContact CE2-CD1 4.07Å; F943-L1047 HydrophobicContact CZ-CD1 3.76Å; Y1036-L1047 HydrophobicContact CE2-CD2 4.14Å; V1037-L1047 HydrophobicContact CG1-CD2 4.36Å; S1043-L1047 VanDerWaalsContact O-CB 3.27Å; S1043-L1047 WeakPolarHBondContact O-CB 3.28Å; S1043-L1047 PolarHBondContact O-N 3.3Å; H1044-L1047 PolarHBondContact O-N 3.04Å; L1047-H1049 PolarHBondContact O-N 2.98Å; L1047-H1049 VanDerWaalsContact O-N 3.12Å; L1047-L1050 HydrophobicContact CD1-CB 4.44Å; L1047-L1050 HydrophobicContact CD1-CD2 4.18Å; L1047-L1050 VanDerWaalsContact O-CB 3.3Å; L1047-L1050 WeakPolarHBondContact O-CB 3.44Å; L1047-L1050 PolarHBondContact O-N 2.99Å; L1047-L1050 VanDerWaalsContact O-N 3.1Å; L1047-F1115 HydrophobicContact CD1-CD2 4.44Å; L1047-F1115 HydrophobicContact CD1-CE1 3.96Å; L1047-F1115 HydrophobicContact CD1-CE2 4.35Å; L1047-F1115 HydrophobicContact CD1-CZ 4.12Å; L1047-F1115 HydrophobicContact CD2-CE1 4.03Å; L1047-F1115 HydrophobicContact CD2-CZ 4.35Å; L1047-F1115 HydrophobicContact CG-CE1 4.43Å; L1047-L1120 VanDerWaalsContact O-CD2 3.27Å; L1047-L1120 WeakPolarHBondContact O-CD2 3.31Å
1048S85.9Confident83.6Confident17.2 Ų17.230.5 Ų30.512%0.1216%0.158CC..Hα-helixtrans-59.4-23.717879.70000113.3H1044 I1045 V1046 Y1119 N1121H1044-S1048 VanDerWaalsContact O-CB 3.29Å; H1044-S1048 WeakPolarHBondContact O-CB 3.37Å; H1044-S1048 PolarHBondContact O-N 3.13Å; I1045-S1048 PolarHBondContact O-N 3.06Å; I1045-S1048 PolarHBondContact O-OG 3.06Å; V1046-S1048 VanDerWaalsContact C-N 3.3Å; V1046-S1048 PolarHBondContact O-N 3.17Å; S1048-Y1119 VanDerWaalsContact CA-O 3.26Å; S1048-Y1119 WeakPolarHBondContact CA-O 3.35Å; S1048-Y1119 VanDerWaalsContact CB-O 3.27Å; S1048-Y1119 WeakPolarHBondContact CB-O 3.38Å; S1048-N1121 WeakPolarHBondContact CB-ND2 3.44Å; S1048-N1121 VanDerWaalsContact O-CB 3.28Å; S1048-N1121 WeakPolarHBondContact O-CB 3.29Å; S1048-N1121 PolarHBondContact O-N 3.26Å; S1048-N1121 PolarHBondContact O-ND2 3.25Å; S1048-N1121 PolarHBondContact OG-ND2 3.27Å
1049H86.9Confident84.7Confident25 Ų2525.1 Ų25.112%0.11614%0.138CC..THydrogen-bonded Turntrans-107.310.8179-65.4-56.4000113.7L878 I1045 V1046 L1047 P1051 T1052 I1053L878-H1049 HydrophobicContact CD2-CB 3.55Å; I1045-H1049 PolarHBondContact O-CD2 3.29Å; I1045-H1049 VanDerWaalsContact O-CD2 3.3Å; V1046-H1049 CarbonylContact O-C 3.56Å; V1046-H1049 PolarHBondContact O-N 3.14Å; V1046-H1049 VanDerWaalsContact O-N 3.1Å; L1047-H1049 PolarHBondContact O-N 2.98Å; L1047-H1049 VanDerWaalsContact O-N 3.12Å; H1049-P1051 VanDerWaalsContact C-CD 3.48Å; H1049-T1052 CarbonylContact O-C 3.54Å; H1049-T1052 WeakPolarHBondContact O-CA 3.3Å; H1049-T1052 VanDerWaalsContact O-CB 3.3Å; H1049-T1052 WeakPolarHBondContact O-CB 3.37Å; H1049-T1052 PolarHBondContact O-N 3.02Å; H1049-I1053 WeakPolarHBondContact O-CG1 3.31Å; H1049-I1053 PolarHBondContact O-N 3.1Å
1050L88.4Confident85.9Confident1.2 Ų1.219.7 Ų19.71%0.00611%0.109CC..Hα-helixtrans-54.9-39.2-178.5-168.867000114.5F943 V1046 L1047 T1052 I1053 L1054 I1084 I1087 L1088 L1120F943-L1050 HydrophobicContact CE2-CD2 3.9Å; F943-L1050 HydrophobicContact CZ-CD2 4.07Å; V1046-L1050 PolarHBondContact O-N 3.16Å; L1047-L1050 HydrophobicContact CD1-CB 4.44Å; L1047-L1050 HydrophobicContact CD1-CD2 4.18Å; L1047-L1050 VanDerWaalsContact O-CB 3.3Å; L1047-L1050 WeakPolarHBondContact O-CB 3.44Å; L1047-L1050 PolarHBondContact O-N 2.99Å; L1047-L1050 VanDerWaalsContact O-N 3.1Å; L1050-T1052 VanDerWaalsContact C-N 3.3Å; L1050-T1052 PolarHBondContact O-N 3.16Å; L1050-I1053 HydrophobicContact CD1-CB 4.49Å; L1050-I1053 HydrophobicContact CD1-CD1 4.45Å; L1050-I1053 WeakPolarHBondContact O-CB 3.32Å; L1050-I1053 PolarHBondContact O-N 3.29Å; L1050-L1054 PolarHBondContact O-N 3.12Å; L1050-I1084 HydrophobicContact CD1-CG2 4.02Å; L1050-I1084 HydrophobicContact CD2-CG2 4.46Å; L1050-I1084 HydrophobicContact CG-CG2 4.08Å; L1050-I1087 HydrophobicContact CD2-CG2 4.18Å; L1050-L1088 HydrophobicContact CB-CD2 4.48Å; L1050-L1088 HydrophobicContact CD2-CD1 4.45Å; L1050-L1088 HydrophobicContact CD2-CD2 3.99Å; L1050-L1088 HydrophobicContact CD2-CG 4.18Å; L1050-L1088 HydrophobicContact CG-CD1 4.28Å; L1050-L1088 HydrophobicContact CG-CD2 4.36Å; L1050-L1088 HydrophobicContact CG-CG 4.42Å; L1050-L1120 HydrophobicContact CB-CD2 4.5Å
1051P88.1Confident86.8Confident0 Ų017.4 Ų17.40%010%0.097CC..Hα-helixtrans-62.8-35.5173.5-23.534.9000113.2H1049 F1055 L1088 L1120 W1122 F1128H1049-P1051 VanDerWaalsContact C-CD 3.48Å; P1051-F1055 WeakPolarHBondContact O-CB 3.34Å; P1051-F1055 PolarHBondContact O-N 3.06Å; P1051-F1055 VanDerWaalsContact O-N 3.09Å; P1051-L1088 HydrophobicContact CB-CD1 4.37Å; P1051-L1088 HydrophobicContact CG-CD1 4.34Å; P1051-L1088 HydrophobicContact CG-CD2 4.21Å; P1051-L1120 HydrophobicContact CG-CB 4.4Å; P1051-L1120 HydrophobicContact CG-CD1 4.24Å; P1051-L1120 HydrophobicContact CG-CD2 4.42Å; P1051-W1122 HydrophobicContact CB-CD2 4.25Å; P1051-W1122 HydrophobicContact CB-CE3 3.75Å; P1051-W1122 HydrophobicContact CB-CH2 4.35Å; P1051-W1122 HydrophobicContact CB-CZ3 3.84Å; P1051-W1122 HydrophobicContact CG-CD2 4.1Å; P1051-W1122 HydrophobicContact CG-CE3 4.06Å; P1051-W1122 HydrophobicContact CG-CH2 4.21Å; P1051-W1122 HydrophobicContact CG-CZ2 4.25Å; P1051-W1122 HydrophobicContact CG-CZ3 4.12Å; P1051-F1128 HydrophobicContact CB-CZ 4.44Å
1052T88.4Confident87.4Confident5.2 Ų5.213 Ų133%0.0327%0.068CC..Hα-helixtrans-69.9-36.6174.9-66.90000111.5C877 L878 H1049 L1050 F1055 A1056 W1209C877-T1052 HydrophobicContact CB-CG2 3.87Å; C877-T1052 WeakPolarHBondContact O-CG2 3.38Å; L878-T1052 HydrophobicContact CD2-CG2 3.98Å; H1049-T1052 CarbonylContact O-C 3.54Å; H1049-T1052 WeakPolarHBondContact O-CA 3.3Å; H1049-T1052 VanDerWaalsContact O-CB 3.3Å; H1049-T1052 WeakPolarHBondContact O-CB 3.37Å; H1049-T1052 PolarHBondContact O-N 3.02Å; L1050-T1052 VanDerWaalsContact C-N 3.3Å; L1050-T1052 PolarHBondContact O-N 3.16Å; T1052-F1055 PolarHBondContact O-N 2.83Å; T1052-A1056 VanDerWaalsContact O-CB 3.29Å; T1052-A1056 WeakPolarHBondContact O-CB 3.31Å; T1052-A1056 PolarHBondContact O-N 2.93Å; T1052-W1209 HydrophobicContact CG2-CH2 3.83Å; T1052-W1209 HydrophobicContact CG2-CZ3 4.45Å
1053I90.4Very high88Confident0.6 Ų0.610.8 Ų10.80%0.0036%0.055CC..Hα-helixtrans-62.6-50.5174.1-66.8171.7000110.2L874 L878 I937 V1046 H1049 L1050 F1055 A1056 F1057L874-I1053 HydrophobicContact CD2-CB 4.19Å; L874-I1053 HydrophobicContact CD2-CG1 3.8Å; L874-I1053 HydrophobicContact CD2-CG2 4.1Å; L878-I1053 HydrophobicContact CD1-CG1 4.44Å; L878-I1053 HydrophobicContact CD2-CG1 4.19Å; I937-I1053 HydrophobicContact CG2-CG2 4.31Å; V1046-I1053 HydrophobicContact CG1-CD1 3.85Å; H1049-I1053 WeakPolarHBondContact O-CG1 3.31Å; H1049-I1053 PolarHBondContact O-N 3.1Å; L1050-I1053 HydrophobicContact CD1-CB 4.49Å; L1050-I1053 HydrophobicContact CD1-CD1 4.45Å; L1050-I1053 WeakPolarHBondContact O-CB 3.32Å; L1050-I1053 PolarHBondContact O-N 3.29Å; I1053-F1055 VanDerWaalsContact C-N 3.33Å; I1053-F1055 PolarHBondContact O-N 2.98Å; I1053-A1056 PolarHBondContact O-N 3.03Å; I1053-F1057 HydrophobicContact CG2-CD2 3.91Å; I1053-F1057 HydrophobicContact CG2-CE1 4.36Å; I1053-F1057 HydrophobicContact CG2-CE2 3.6Å; I1053-F1057 VanDerWaalsContact CG2-CE2 3.49Å; I1053-F1057 HydrophobicContact CG2-CG 4.41Å; I1053-F1057 HydrophobicContact CG2-CZ 3.85Å; I1053-F1057 WeakPolarHBondContact O-CB 3.3Å; I1053-F1057 WeakPolarHBondContact O-CG 3.37Å; I1053-F1057 PolarHBondContact O-N 3.06Å
1054L91.5Very high88.5Confident0 Ų010.8 Ų10.80%06%0.055CC..Hα-helixtrans-57.5-45.7177.1178.363.3000111.6L1050 F1057 H1058 N1081 I1084 L1088 L1090L1050-L1054 PolarHBondContact O-N 3.12Å; L1054-F1057 PolarHBondContact O-N 3.17Å; L1054-H1058 WeakPolarHBondContact O-CB 3.35Å; L1054-H1058 PolarHBondContact O-N 3.06Å; L1054-N1081 HydrophobicContact CD1-CB 4.04Å; L1054-I1084 HydrophobicContact CB-CG2 3.89Å; L1054-I1084 HydrophobicContact CD1-CB 4.22Å; L1054-I1084 HydrophobicContact CD1-CG2 4.06Å; L1054-I1084 HydrophobicContact CD2-CG2 4.44Å; L1054-I1084 HydrophobicContact CG-CG2 4.34Å; L1054-L1088 HydrophobicContact CB-CD1 4.27Å; L1054-L1088 HydrophobicContact CD2-CD1 3.9Å; L1054-L1090 HydrophobicContact CD2-CD1 3.64Å
1055F90Very high89Confident2.2 Ų2.29.6 Ų9.61%0.015%0.049CC..Hα-helixtrans-63-45.3178.8-175.9-104.9000112P1051 T1052 I1053 F1057 H1058 L1059 I1126 F1128 P1132 P1158 V1160 W1209P1051-F1055 WeakPolarHBondContact O-CB 3.34Å; P1051-F1055 PolarHBondContact O-N 3.06Å; P1051-F1055 VanDerWaalsContact O-N 3.09Å; T1052-F1055 PolarHBondContact O-N 2.83Å; I1053-F1055 VanDerWaalsContact C-N 3.33Å; I1053-F1055 PolarHBondContact O-N 2.98Å; F1055-F1057 VanDerWaalsContact C-N 3.32Å; F1055-F1057 PolarHBondContact O-N 3.16Å; F1055-H1058 PolarHBondContact O-N 3.17Å; F1055-L1059 HydrophobicContact CD1-CD1 4.13Å; F1055-L1059 HydrophobicContact CE1-CD1 3.56Å; F1055-L1059 HydrophobicContact CE1-CG 4.24Å; F1055-L1059 HydrophobicContact CZ-CD1 3.87Å; F1055-L1059 HydrophobicContact CZ-CD2 4.4Å; F1055-L1059 HydrophobicContact CZ-CG 4.27Å; F1055-L1059 WeakPolarHBondContact O-CG 3.25Å; F1055-L1059 PolarHBondContact O-N 3.18Å; F1055-I1126 HydrophobicContact CD1-CD1 3.85Å; F1055-I1126 HydrophobicContact CD2-CD1 4.3Å; F1055-I1126 HydrophobicContact CD2-CG2 3.98Å; F1055-I1126 HydrophobicContact CE1-CD1 3.49Å; F1055-I1126 VanDerWaalsContact CE1-CD1 3.43Å; F1055-I1126 HydrophobicContact CE1-CG1 4.44Å; F1055-I1126 HydrophobicContact CE2-CD1 4.09Å; F1055-I1126 HydrophobicContact CE2-CG1 4.35Å; F1055-I1126 HydrophobicContact CE2-CG2 3.68Å; F1055-I1126 HydrophobicContact CG-CD1 4.28Å; F1055-I1126 HydrophobicContact CZ-CD1 3.62Å; F1055-I1126 VanDerWaalsContact CZ-CD1 3.43Å; F1055-I1126 HydrophobicContact CZ-CG1 4.25Å; F1055-I1126 HydrophobicContact CZ-CG2 4.2Å; F1055-F1128 HydrophobicContact CB-CE1 4.34Å; F1055-F1128 HydrophobicContact CB-CZ 4.47Å; F1055-F1128 HydrophobicContact CD2-CE1 4.46Å; F1055-P1132 HydrophobicContact CE2-CG 4.35Å; F1055-P1158 HydrophobicContact CE2-CB 4.41Å; F1055-P1158 HydrophobicContact CE2-CG 4.4Å; F1055-P1158 HydrophobicContact CZ-CB 3.72Å; F1055-P1158 HydrophobicContact CZ-CG 4.12Å; F1055-V1160 HydrophobicContact CE1-CG2 4.32Å; F1055-W1209 HydrophobicContact CD1-CE3 4.14Å; F1055-W1209 HydrophobicContact CD1-CH2 4.45Å; F1055-W1209 AromaticContact CD1-CZ3 3.84Å; F1055-W1209 HydrophobicContact CD1-CZ3 3.94Å; F1055-W1209 HydrophobicContact CE1-CD2 4.4Å; F1055-W1209 AromaticContact CE1-CE3 3.79Å; F1055-W1209 HydrophobicContact CE1-CE3 4.01Å; F1055-W1209 HydrophobicContact CE1-CZ3 4.16Å
1056A90.4Very high89.3Confident0 Ų06.8 Ų6.80%04%0.035CC..Hα-helixtrans-60.9-41.1176.200000112.2S873 L874 C877 T1052 I1053 L1059 T1060S873-A1056 PolarHBondContact OG-O 3.48Å; L874-A1056 HydrophobicContact CD2-CB 4.3Å; C877-A1056 HydrophobicContact CB-CB 3.85Å; C877-A1056 VanDerWaalsContact SG-CB 3.57Å; T1052-A1056 VanDerWaalsContact O-CB 3.29Å; T1052-A1056 WeakPolarHBondContact O-CB 3.31Å; T1052-A1056 PolarHBondContact O-N 2.93Å; I1053-A1056 PolarHBondContact O-N 3.03Å; A1056-L1059 PolarHBondContact O-N 3.44Å; A1056-T1060 WeakPolarHBondContact O-CB 3.24Å; A1056-T1060 PolarHBondContact O-N 3.16Å; A1056-T1060 VanDerWaalsContact O-N 3.13Å; A1056-T1060 PolarHBondContact O-OG1 3.13Å
1057F93.2Very high89.5Confident0 Ų07.9 Ų7.90%04%0.04CC..Hα-helixtrans-70-36.6176.9-74-4000113C870 L874 F933 I937 I1053 L1054 F1055 T1060 Y1061 L1077 L1080 N1081 I1084C870-F1057 HydrophobicContact CB-CD1 4.18Å; C870-F1057 HydrophobicContact CB-CE1 3.69Å; C870-F1057 HydrophobicContact CB-CZ 4.35Å; L874-F1057 HydrophobicContact CD1-CE1 3.63Å; L874-F1057 HydrophobicContact CD1-CZ 3.88Å; L874-F1057 HydrophobicContact CD2-CD1 4.4Å; L874-F1057 HydrophobicContact CD2-CE1 3.88Å; L874-F1057 HydrophobicContact CD2-CZ 4.28Å; L874-F1057 HydrophobicContact CG-CD1 4.44Å; L874-F1057 HydrophobicContact CG-CE1 3.68Å; L874-F1057 HydrophobicContact CG-CZ 4.36Å; F933-F1057 AromaticContact CE1-CZ 3.97Å; F933-F1057 HydrophobicContact CE1-CZ 4.04Å; F933-F1057 HydrophobicContact CZ-CE1 4.42Å; F933-F1057 AromaticContact CZ-CZ 3.9Å; F933-F1057 HydrophobicContact CZ-CZ 3.94Å; I937-F1057 HydrophobicContact CD1-CZ 4.18Å; I937-F1057 HydrophobicContact CG1-CE2 4.36Å; I937-F1057 HydrophobicContact CG1-CZ 4.16Å; I937-F1057 HydrophobicContact CG2-CE2 4.21Å; I1053-F1057 HydrophobicContact CG2-CD2 3.91Å; I1053-F1057 HydrophobicContact CG2-CE1 4.36Å; I1053-F1057 HydrophobicContact CG2-CE2 3.6Å; I1053-F1057 VanDerWaalsContact CG2-CE2 3.49Å; I1053-F1057 HydrophobicContact CG2-CG 4.41Å; I1053-F1057 HydrophobicContact CG2-CZ 3.85Å; I1053-F1057 WeakPolarHBondContact O-CB 3.3Å; I1053-F1057 WeakPolarHBondContact O-CG 3.37Å; I1053-F1057 PolarHBondContact O-N 3.06Å; L1054-F1057 PolarHBondContact O-N 3.17Å; F1055-F1057 VanDerWaalsContact C-N 3.32Å; F1055-F1057 PolarHBondContact O-N 3.16Å; F1057-T1060 VanDerWaalsContact CA-OG1 3.28Å; F1057-T1060 WeakPolarHBondContact CA-OG1 3.37Å; F1057-T1060 WeakPolarHBondContact O-CB 3.27Å; F1057-T1060 PolarHBondContact O-N 3.22Å; F1057-T1060 PolarHBondContact O-OG1 3.22Å; F1057-T1060 VanDerWaalsContact O-OG1 3.06Å; F1057-Y1061 WeakPolarHBondContact O-CB 3.29Å; F1057-Y1061 PolarHBondContact O-N 3.19Å; F1057-L1077 HydrophobicContact CB-CD1 4.18Å; F1057-L1077 HydrophobicContact CD2-CD1 4.38Å; F1057-L1077 HydrophobicContact CG-CD1 4.35Å; F1057-L1080 HydrophobicContact CD2-CD2 4.38Å; F1057-L1080 HydrophobicContact CE2-CD2 3.98Å; F1057-N1081 VanDerWaalsContact CB-OD1 3.22Å; F1057-N1081 WeakPolarHBondContact CB-OD1 3.27Å; F1057-I1084 HydrophobicContact CD2-CD1 4.29Å; F1057-I1084 HydrophobicContact CE2-CD1 4.36Å
1058H92.6Very high89.6Confident0 Ų010.4 Ų10.40%06%0.059CC..Hα-helixtrans-66.2-40.6174.5-178.182000111.8L1054 F1055 T1060 Y1061 E1062 Y1093 F1096 Y1097 P1132L1054-H1058 WeakPolarHBondContact O-CB 3.35Å; L1054-H1058 PolarHBondContact O-N 3.06Å; F1055-H1058 PolarHBondContact O-N 3.17Å; H1058-T1060 VanDerWaalsContact C-N 3.28Å; H1058-T1060 PolarHBondContact O-N 2.94Å; H1058-Y1061 WeakPolarHBondContact O-CB 3.28Å; H1058-Y1061 PolarHBondContact O-N 3.22Å; H1058-E1062 PolarHBondContact O-N 3.04Å; H1058-Y1093 HydrophobicContact CB-CE1 4.14Å; H1058-Y1093 AromaticContact CD2-CE1 3.96Å; H1058-Y1093 AromaticContact CG-CE1 3.74Å; H1058-Y1093 AromaticContact ND1-CD1 3.88Å; H1058-Y1093 AromaticContact ND1-CE1 3.83Å; H1058-F1096 AromaticContact CE1-CD1 3.91Å; H1058-F1096 AromaticContact CE1-CE1 3.54Å; H1058-F1096 VanDerWaalsContact CE1-CE1 3.49Å; H1058-F1096 WeakPolarHBondContact CE1-CE1 3.45Å; H1058-Y1097 AromaticContact ND1-CZ 3.68Å; H1058-Y1097 PolarHBondContact ND1-OH 3.12Å; H1058-P1132 VanDerWaalsContact CD2-CG 3.48Å; H1058-P1132 WeakPolarHBondContact CD2-CG 3.3Å; H1058-P1132 VanDerWaalsContact NE2-CD 3.31Å; H1058-P1132 WeakPolarHBondContact NE2-CD 3.37Å; H1058-P1132 PolarHBondContact NE2-O 2.98Å
1059L90.9Very high89.5Confident0 Ų015.3 Ų15.30%08%0.083CC..Hα-helixtrans-65.6-35.6173.2-65.1-176000112.6F1055 A1056 Y1061 E1062 E1063 P1132 P1158 V1160 V1163 N1164F1055-L1059 HydrophobicContact CD1-CD1 4.13Å; F1055-L1059 HydrophobicContact CE1-CD1 3.56Å; F1055-L1059 HydrophobicContact CE1-CG 4.24Å; F1055-L1059 HydrophobicContact CZ-CD1 3.87Å; F1055-L1059 HydrophobicContact CZ-CD2 4.4Å; F1055-L1059 HydrophobicContact CZ-CG 4.27Å; F1055-L1059 WeakPolarHBondContact O-CG 3.25Å; F1055-L1059 PolarHBondContact O-N 3.18Å; A1056-L1059 PolarHBondContact O-N 3.44Å; L1059-Y1061 VanDerWaalsContact C-N 3.31Å; L1059-Y1061 PolarHBondContact O-N 3.07Å; L1059-E1062 PolarHBondContact O-N 3.21Å; L1059-E1063 WeakPolarHBondContact O-CB 3.3Å; L1059-E1063 PolarHBondContact O-N 3.06Å; L1059-P1132 HydrophobicContact CD2-CG 4.42Å; L1059-P1158 HydrophobicContact CD2-CB 4.47Å; L1059-P1158 HydrophobicContact CD2-CG 3.86Å; L1059-V1160 HydrophobicContact CD1-CB 4.16Å; L1059-V1160 HydrophobicContact CD1-CG2 3.49Å; L1059-V1160 VanDerWaalsContact CD1-CG2 3.47Å; L1059-V1163 HydrophobicContact CB-CG1 4.01Å; L1059-N1164 HydrophobicContact CB-CB 4.43Å
1060T91.9Very high89.4Confident5.2 Ų5.214.3 Ų14.33%0.0328%0.078CC..Hα-helixtrans-68.8-33.7172.913.20000112.3R869 S873 A1056 F1057 H1058 A1064 L1077 V1163R869-T1060 HydrophobicContact CB-CG2 4.1Å; S873-T1060 VanDerWaalsContact CB-CG2 3.45Å; S873-T1060 WeakPolarHBondContact CB-OG1 3.39Å; S873-T1060 WeakPolarHBondContact OG-CG2 3.4Å; S873-T1060 PolarHBondContact OG-OG1 2.81Å; S873-T1060 VanDerWaalsContact OG-OG1 3.08Å; A1056-T1060 WeakPolarHBondContact O-CB 3.24Å; A1056-T1060 PolarHBondContact O-N 3.16Å; A1056-T1060 VanDerWaalsContact O-N 3.13Å; A1056-T1060 PolarHBondContact O-OG1 3.13Å; F1057-T1060 VanDerWaalsContact CA-OG1 3.28Å; F1057-T1060 WeakPolarHBondContact CA-OG1 3.37Å; F1057-T1060 WeakPolarHBondContact O-CB 3.27Å; F1057-T1060 PolarHBondContact O-N 3.22Å; F1057-T1060 PolarHBondContact O-OG1 3.22Å; F1057-T1060 VanDerWaalsContact O-OG1 3.06Å; H1058-T1060 VanDerWaalsContact C-N 3.28Å; H1058-T1060 PolarHBondContact O-N 2.94Å; T1060-A1064 WeakPolarHBondContact O-CB 3.29Å; T1060-A1064 PolarHBondContact O-N 3.41Å; T1060-L1077 HydrophobicContact CG2-CD2 4.37Å; T1060-V1163 HydrophobicContact CG2-CG1 3.76Å
1061Y92.7Very high89.1Confident0 Ų018.6 Ų18.60%010%0.098CC..Hα-helixtrans-63.4-48.4173.4168.4-90.3000111.1F1057 H1058 L1059 E1063 A1064 K1065 V1074 L1077 A1078 F1096 Y1097 E1100 Y1101F1057-Y1061 WeakPolarHBondContact O-CB 3.29Å; F1057-Y1061 PolarHBondContact O-N 3.19Å; H1058-Y1061 WeakPolarHBondContact O-CB 3.28Å; H1058-Y1061 PolarHBondContact O-N 3.22Å; L1059-Y1061 VanDerWaalsContact C-N 3.31Å; L1059-Y1061 PolarHBondContact O-N 3.07Å; Y1061-E1063 PolarHBondContact O-N 2.58Å; Y1061-A1064 PolarHBondContact O-N 3.08Å; Y1061-K1065 HydrophobicContact CD1-CD 3.96Å; Y1061-K1065 HydrophobicContact CE1-CD 3.52Å; Y1061-K1065 VanDerWaalsContact CE1-CD 3.45Å; Y1061-K1065 HydrophobicContact CE1-CG 4.29Å; Y1061-K1065 VanDerWaalsContact CE1-NZ 3.3Å; Y1061-K1065 HydrophobicContact CE2-CD 4.24Å; Y1061-K1065 VanDerWaalsContact CZ-CD 3.46Å; Y1061-K1065 WeakPolarHBondContact O-CB 3.3Å; Y1061-K1065 WeakPolarHBondContact O-CG 3.2Å; Y1061-K1065 PolarHBondContact O-N 3.1Å; Y1061-K1065 WeakPolarHBondContact OH-CE 3Å; Y1061-K1065 PolarHBondContact OH-NZ 3.43Å; Y1061-V1074 HydrophobicContact CD2-CG1 3.54Å; Y1061-V1074 VanDerWaalsContact CD2-CG1 3.49Å; Y1061-V1074 HydrophobicContact CE2-CG1 3.33Å; Y1061-V1074 VanDerWaalsContact CE2-CG1 3.48Å; Y1061-V1074 HydrophobicContact CG-CG1 4.47Å; Y1061-L1077 HydrophobicContact CD2-CG 4.48Å; Y1061-A1078 HydrophobicContact CD2-CB 4.4Å; Y1061-A1078 HydrophobicContact CE2-CB 3.8Å; Y1061-F1096 HydrophobicContact CD1-CE1 4.4Å; Y1061-F1096 AromaticContact CE1-CE1 3.7Å; Y1061-F1096 HydrophobicContact CE1-CE1 3.7Å; Y1061-F1096 AromaticContact CE1-CZ 3.97Å; Y1061-F1096 HydrophobicContact CE1-CZ 4.13Å; Y1061-Y1097 HydrophobicContact CD1-CE1 4.21Å; Y1061-Y1097 HydrophobicContact CD2-CE1 4.44Å; Y1061-Y1097 HydrophobicContact CE1-CD1 4.44Å; Y1061-Y1097 AromaticContact CE1-CE1 3.92Å; Y1061-Y1097 HydrophobicContact CE1-CE1 4.1Å; Y1061-Y1097 HydrophobicContact CE2-CD1 4.5Å; Y1061-Y1097 HydrophobicContact CE2-CE1 4.35Å; Y1061-Y1097 HydrophobicContact CG-CE1 4.4Å; Y1061-Y1097 AromaticContact CZ-CE1 3.96Å; Y1061-E1100 PolarHBondContact OH-OE2 3.32Å; Y1061-E1100 VanDerWaalsContact OH-OE2 3.04Å; Y1061-Y1101 HydrophobicContact CE2-CE2 4.19Å; Y1061-Y1101 WeakPolarHBondContact OH-CE2 3.4Å
1062E90.5Very high88.6Confident5.8 Ų5.824.7 Ų24.73%0.02713%0.131CC..Hα-helixtrans-65.4-40.5177.3-77.4-70.4121.600112.9H1058 L1059 A1064 K1065 L1066 F1096 P1132 C1133 L1134H1058-E1062 PolarHBondContact O-N 3.04Å; L1059-E1062 PolarHBondContact O-N 3.21Å; E1062-A1064 VanDerWaalsContact C-N 3.31Å; E1062-A1064 PolarHBondContact O-N 2.96Å; E1062-K1065 WeakPolarHBondContact O-CB 3.34Å; E1062-K1065 PolarHBondContact O-N 3.22Å; E1062-K1065 WeakPolarHBondContact OE1-CD 3.23Å; E1062-K1065 VanDerWaalsContact OE1-CE 3.3Å; E1062-K1065 WeakPolarHBondContact OE1-CE 3.38Å; E1062-K1065 IonicContact OE1-NZ 3.32Å; E1062-K1065 PolarHBondContact OE1-NZ 3.2Å; E1062-L1066 PolarHBondContact O-N 3.08Å; E1062-F1096 WeakPolarHBondContact OE1-CZ 3.29Å; E1062-P1132 WeakPolarHBondContact CG-O 3.33Å; E1062-C1133 PolarHBondContact OE1-SG 3.33Å; E1062-C1133 VanDerWaalsContact OE2-CA 3.29Å; E1062-C1133 WeakPolarHBondContact OE2-CA 3.38Å; E1062-C1133 PolarHBondContact OE2-SG 3.15Å; E1062-C1133 VanDerWaalsContact OE2-SG 3.35Å; E1062-L1134 PolarHBondContact OE2-N 3.26Å
1063E90.3Very high88.2Confident19.8 Ų19.828.4 Ų28.49%0.09315%0.146CC..Hα-helixtrans-64.9-38.3172.8175.874.6-16500111.6L1059 Y1061 K1065 L1066 V1163 N1164 L1166 A1167 R1304L1059-E1063 WeakPolarHBondContact O-CB 3.3Å; L1059-E1063 PolarHBondContact O-N 3.06Å; Y1061-E1063 PolarHBondContact O-N 2.58Å; E1063-K1065 VanDerWaalsContact C-N 3.33Å; E1063-K1065 PolarHBondContact O-N 3.12Å; E1063-L1066 VanDerWaalsContact O-CB 3.31Å; E1063-L1066 WeakPolarHBondContact O-CB 3.32Å; E1063-L1066 PolarHBondContact O-N 3.06Å; E1063-L1066 VanDerWaalsContact O-N 3.15Å; E1063-V1163 WeakPolarHBondContact CG-O 3.39Å; E1063-N1164 HydrophobicContact CB-CB 4.42Å; E1063-N1164 WeakPolarHBondContact OE2-CA 3.41Å; E1063-L1166 WeakPolarHBondContact OE1-CB 3.43Å; E1063-L1166 WeakPolarHBondContact OE2-CB 3.35Å; E1063-L1166 PolarHBondContact OE2-N 3.17Å; E1063-L1166 VanDerWaalsContact OE2-N 3.12Å; E1063-A1167 PolarHBondContact OE2-N 3.11Å; E1063-A1167 VanDerWaalsContact OE2-N 3.13Å; E1063-R1304 IonicContact OE1-CZ 3Å; E1063-R1304 IonicContact OE1-NH1 2.99Å; E1063-R1304 PolarHBondContact OE1-NH1 3.1Å; E1063-R1304 IonicContact OE1-NH2 3.57Å
1064A89.6Confident88Confident1.2 Ų1.228.4 Ų28.41%0.0115%0.146CC..Hα-helixtrans-70.4-32.5177.800000112.5M866 T1060 Y1061 E1062 L1066 N1067 L1070 V1074M866-A1064 HydrophobicContact CE-CB 4.02Å; M866-A1064 HydrophobicContact SD-CB 4.22Å; T1060-A1064 WeakPolarHBondContact O-CB 3.29Å; T1060-A1064 PolarHBondContact O-N 3.41Å; Y1061-A1064 PolarHBondContact O-N 3.08Å; E1062-A1064 VanDerWaalsContact C-N 3.31Å; E1062-A1064 PolarHBondContact O-N 2.96Å; A1064-L1066 PolarHBondContact O-N 2.96Å; A1064-N1067 WeakPolarHBondContact O-CB 3.35Å; A1064-N1067 PolarHBondContact O-N 2.83Å; A1064-L1070 HydrophobicContact CB-CD1 4.44Å; A1064-V1074 HydrophobicContact CB-CG2 3.56Å
1065K89.9Confident87.7Confident34.6 Ų34.630.6 Ų30.615%0.1516%0.156CC..Hα-helixtrans-59.6-24.9170.9-95.9174.695.4176.10113.2Y1061 E1062 E1063 N1067 Q1071 V1074 E1100 P1309Y1061-K1065 HydrophobicContact CD1-CD 3.96Å; Y1061-K1065 HydrophobicContact CE1-CD 3.52Å; Y1061-K1065 VanDerWaalsContact CE1-CD 3.45Å; Y1061-K1065 HydrophobicContact CE1-CG 4.29Å; Y1061-K1065 VanDerWaalsContact CE1-NZ 3.3Å; Y1061-K1065 HydrophobicContact CE2-CD 4.24Å; Y1061-K1065 VanDerWaalsContact CZ-CD 3.46Å; Y1061-K1065 WeakPolarHBondContact O-CB 3.3Å; Y1061-K1065 WeakPolarHBondContact O-CG 3.2Å; Y1061-K1065 PolarHBondContact O-N 3.1Å; Y1061-K1065 WeakPolarHBondContact OH-CE 3Å; Y1061-K1065 PolarHBondContact OH-NZ 3.43Å; E1062-K1065 WeakPolarHBondContact O-CB 3.34Å; E1062-K1065 PolarHBondContact O-N 3.22Å; E1062-K1065 WeakPolarHBondContact OE1-CD 3.23Å; E1062-K1065 VanDerWaalsContact OE1-CE 3.3Å; E1062-K1065 WeakPolarHBondContact OE1-CE 3.38Å; E1062-K1065 IonicContact OE1-NZ 3.32Å; E1062-K1065 PolarHBondContact OE1-NZ 3.2Å; E1063-K1065 VanDerWaalsContact C-N 3.33Å; E1063-K1065 PolarHBondContact O-N 3.12Å; K1065-N1067 PolarHBondContact O-N 3.03Å; K1065-N1067 VanDerWaalsContact O-N 3.17Å; K1065-Q1071 PolarHBondContact O-NE2 3.01Å; K1065-Q1071 VanDerWaalsContact O-NE2 3.09Å; K1065-V1074 HydrophobicContact CG-CG1 3.96Å; K1065-E1100 VanDerWaalsContact CE-OE2 3.25Å; K1065-E1100 WeakPolarHBondContact CE-OE2 3.42Å; K1065-E1100 VanDerWaalsContact NZ-CD 3.31Å; K1065-E1100 IonicContact NZ-OE1 3.39Å; K1065-E1100 PolarHBondContact NZ-OE1 2.99Å; K1065-E1100 IonicContact NZ-OE2 3.04Å; K1065-E1100 PolarHBondContact NZ-OE2 3.36Å; K1065-P1309 WeakPolarHBondContact O-CG 3.41Å
1066L87.6Confident87.3Confident10.6 Ų10.631.4 Ų31.46%0.05516%0.16CC..THydrogen-bonded Turntrans-73.5-1.2173-57.9179.3000113.8E1062 E1063 A1064 L1134 L1166 A1167 L1170 L1308 P1309 L1312E1062-L1066 PolarHBondContact O-N 3.08Å; E1063-L1066 VanDerWaalsContact O-CB 3.31Å; E1063-L1066 WeakPolarHBondContact O-CB 3.32Å; E1063-L1066 PolarHBondContact O-N 3.06Å; E1063-L1066 VanDerWaalsContact O-N 3.15Å; A1064-L1066 PolarHBondContact O-N 2.96Å; L1066-L1134 HydrophobicContact CD1-CD2 4.24Å; L1066-L1134 HydrophobicContact CD2-CD2 3.98Å; L1066-L1166 HydrophobicContact CB-CD2 4.13Å; L1066-L1166 HydrophobicContact CD1-CB 4.35Å; L1066-L1166 HydrophobicContact CD1-CD2 4.14Å; L1066-L1166 HydrophobicContact CD1-CG 4.09Å; L1066-A1167 HydrophobicContact CD1-CB 3.76Å; L1066-L1170 HydrophobicContact CD1-CD1 4.04Å; L1066-L1170 HydrophobicContact CD2-CD1 4.25Å; L1066-L1308 HydrophobicContact CB-CD2 4.15Å; L1066-L1308 HydrophobicContact CD2-CD2 4.43Å; L1066-L1308 WeakPolarHBondContact O-CA 3.35Å; L1066-P1309 VanDerWaalsContact O-CD 3.3Å; L1066-P1309 WeakPolarHBondContact O-CD 3.24Å; L1066-L1312 HydrophobicContact CD2-CD1 3.54Å
1067N87.5Confident87.3Confident29.8 Ų29.831.4 Ų31.416%0.15916%0.16CC..  trans-117.4106.3176.3-176.7-14.4000110.3A1064 K1065 I1069 L1070 Q1071 V1307A1064-N1067 WeakPolarHBondContact O-CB 3.35Å; A1064-N1067 PolarHBondContact O-N 2.83Å; K1065-N1067 PolarHBondContact O-N 3.03Å; K1065-N1067 VanDerWaalsContact O-N 3.17Å; N1067-I1069 PolarHBondContact O-N 3.06Å; N1067-I1069 VanDerWaalsContact O-N 3.1Å; N1067-I1069 VanDerWaalsContact OD1-CB 3.3Å; N1067-I1069 WeakPolarHBondContact OD1-CB 3.41Å; N1067-I1069 PolarHBondContact OD1-N 2.9Å; N1067-L1070 HydrophobicContact CB-CB 4.3Å; N1067-L1070 HydrophobicContact CB-CD1 3.89Å; N1067-L1070 HydrophobicContact CB-CG 4.16Å; N1067-L1070 VanDerWaalsContact ND2-CD1 3.3Å; N1067-L1070 WeakPolarHBondContact ND2-CD1 3.29Å; N1067-L1070 WeakPolarHBondContact ND2-CG 3.37Å; N1067-L1070 PolarHBondContact O-N 2.93Å; N1067-L1070 VanDerWaalsContact O-N 3.09Å; N1067-Q1071 PolarHBondContact O-NE2 2.82Å; N1067-V1307 HydrophobicContact CB-CG1 4.33Å; N1067-V1307 WeakPolarHBondContact OD1-CG1 3.39Å
1068S84.2Confident87Confident59.8 Ų59.831.4 Ų31.442%0.41816%0.16SC..THydrogen-bonded Turntrans-61-18.7178.957.60000114.5L1070 Q1071 V1307S1068-L1070 VanDerWaalsContact C-N 3.33Å; S1068-Q1071 WeakPolarHBondContact O-CG 3.36Å; S1068-V1307 WeakPolarHBondContact CB-O 3.34Å; S1068-V1307 PolarHBondContact N-O 3.05Å; S1068-V1307 PolarHBondContact OG-O 3.16Å; S1068-V1307 VanDerWaalsContact OG-O 3.12Å
1069I85.2Confident86.7Confident121.2 Ų121.232.4 Ų32.462%0.62216%0.164SC*.THydrogen-bonded Turntrans-81.5-17.6178-55.9163.6000111.3N1067 V1307N1067-I1069 PolarHBondContact O-N 3.06Å; N1067-I1069 VanDerWaalsContact O-N 3.1Å; N1067-I1069 VanDerWaalsContact OD1-CB 3.3Å; N1067-I1069 WeakPolarHBondContact OD1-CB 3.41Å; N1067-I1069 PolarHBondContact OD1-N 2.9Å; I1069-V1307 HydrophobicContact CD1-CG1 3.79Å; I1069-V1307 HydrophobicContact CD1-CG2 4.02Å; I1069-V1307 HydrophobicContact CG1-CG1 3.99Å
1070L84.3Confident86.5Confident4 Ų432.4 Ų32.42%0.02116%0.164CC..SBendtrans-99-1-177.7-67.2175000114M866 R869 A1064 N1067 S1068 D1072 K1073 V1074M866-L1070 HydrophobicContact SD-CD1 4.43Å; R869-L1070 VanDerWaalsContact CZ-CD1 3.47Å; R869-L1070 VanDerWaalsContact NH1-CD1 3.26Å; A1064-L1070 HydrophobicContact CB-CD1 4.44Å; N1067-L1070 HydrophobicContact CB-CB 4.3Å; N1067-L1070 HydrophobicContact CB-CD1 3.89Å; N1067-L1070 HydrophobicContact CB-CG 4.16Å; N1067-L1070 VanDerWaalsContact ND2-CD1 3.3Å; N1067-L1070 WeakPolarHBondContact ND2-CD1 3.29Å; N1067-L1070 WeakPolarHBondContact ND2-CG 3.37Å; N1067-L1070 PolarHBondContact O-N 2.93Å; N1067-L1070 VanDerWaalsContact O-N 3.09Å; S1068-L1070 VanDerWaalsContact C-N 3.33Å; L1070-D1072 VanDerWaalsContact C-N 3.28Å; L1070-D1072 PolarHBondContact O-N 3.15Å; L1070-K1073 HydrophobicContact CD2-CD 4.16Å; L1070-K1073 CarbonylContact O-C 3.57Å; L1070-K1073 WeakPolarHBondContact O-CA 3.39Å; L1070-K1073 WeakPolarHBondContact O-CB 3.26Å; L1070-K1073 PolarHBondContact O-N 3.26Å; L1070-V1074 HydrophobicContact CB-CG2 4.3Å; L1070-V1074 VanDerWaalsContact O-CG2 3.26Å; L1070-V1074 WeakPolarHBondContact O-CG2 3.39Å; L1070-V1074 PolarHBondContact O-N 3.05Å
1071Q81.1Confident86.4Confident90.8 Ų90.832.1 Ų32.142%0.42416%0.163SC..Hα-helixtrans-54.6-43-170.8-101.1-106.3-32.300112.6K1065 N1067 S1068 K1073 V1074 K1075K1065-Q1071 PolarHBondContact O-NE2 3.01Å; K1065-Q1071 VanDerWaalsContact O-NE2 3.09Å; N1067-Q1071 PolarHBondContact O-NE2 2.82Å; S1068-Q1071 WeakPolarHBondContact O-CG 3.36Å; Q1071-K1073 VanDerWaalsContact C-N 3.31Å; Q1071-K1073 PolarHBondContact O-N 3.11Å; Q1071-V1074 WeakPolarHBondContact O-CA 3.39Å; Q1071-V1074 WeakPolarHBondContact O-CB 3.34Å; Q1071-V1074 PolarHBondContact O-N 3.21Å; Q1071-V1074 VanDerWaalsContact O-N 3.15Å; Q1071-K1075 PolarHBondContact O-N 3.08Å
1072D77.8Confident86.2Confident128 Ų12832.5 Ų32.568%0.68416%0.164SC*.Hα-helixtrans-61.8-40.2178-45.6-37.1000111.4L1070 V1074 H1076L1070-D1072 VanDerWaalsContact C-N 3.28Å; L1070-D1072 PolarHBondContact O-N 3.15Å; D1072-V1074 VanDerWaalsContact C-N 3.32Å; D1072-V1074 PolarHBondContact O-N 3.07Å; D1072-H1076 PolarHBondContact O-CE1 2.96Å; D1072-H1076 PolarHBondContact O-ND1 3.11Å; D1072-H1076 VanDerWaalsContact O-ND1 3.13Å
1073K80.9Confident85.9Confident83 Ų8332.8 Ų32.836%0.36117%0.166SC..Hα-helixtrans-75.8-20.1177.8-58-172.3179-175.80113.5N864 M866 L1070 Q1071 K1075 H1076N864-K1073 PolarHBondContact OD1-NZ 3.42Å; N864-K1073 VanDerWaalsContact OD1-NZ 3.14Å; M866-K1073 HydrophobicContact CG-CB 3.7Å; M866-K1073 HydrophobicContact CG-CD 4.2Å; M866-K1073 HydrophobicContact SD-CB 4.44Å; L1070-K1073 HydrophobicContact CD2-CD 4.16Å; L1070-K1073 CarbonylContact O-C 3.57Å; L1070-K1073 WeakPolarHBondContact O-CA 3.39Å; L1070-K1073 WeakPolarHBondContact O-CB 3.26Å; L1070-K1073 PolarHBondContact O-N 3.26Å; Q1071-K1073 VanDerWaalsContact C-N 3.31Å; Q1071-K1073 PolarHBondContact O-N 3.11Å; K1073-K1075 VanDerWaalsContact C-N 3.31Å; K1073-K1075 PolarHBondContact O-N 2.94Å; K1073-H1076 PolarHBondContact O-N 3.14Å; K1073-H1076 PolarHBondContact O-ND1 3.26Å
1074V85.9Confident85.7Confident0.6 Ų0.631.8 Ų31.80%0.00416%0.161CC..Hα-helixtrans-74.6-30.8-179.4165.70000111.6M866 Y1061 A1064 K1065 L1070 Q1071 D1072 H1076 L1077 A1078M866-V1074 HydrophobicContact CE-CG2 4.27Å; Y1061-V1074 HydrophobicContact CD2-CG1 3.54Å; Y1061-V1074 VanDerWaalsContact CD2-CG1 3.49Å; Y1061-V1074 HydrophobicContact CE2-CG1 3.33Å; Y1061-V1074 VanDerWaalsContact CE2-CG1 3.48Å; Y1061-V1074 HydrophobicContact CG-CG1 4.47Å; A1064-V1074 HydrophobicContact CB-CG2 3.56Å; K1065-V1074 HydrophobicContact CG-CG1 3.96Å; L1070-V1074 HydrophobicContact CB-CG2 4.3Å; L1070-V1074 VanDerWaalsContact O-CG2 3.26Å; L1070-V1074 WeakPolarHBondContact O-CG2 3.39Å; L1070-V1074 PolarHBondContact O-N 3.05Å; Q1071-V1074 WeakPolarHBondContact O-CA 3.39Å; Q1071-V1074 WeakPolarHBondContact O-CB 3.34Å; Q1071-V1074 PolarHBondContact O-N 3.21Å; Q1071-V1074 VanDerWaalsContact O-N 3.15Å; D1072-V1074 VanDerWaalsContact C-N 3.32Å; D1072-V1074 PolarHBondContact O-N 3.07Å; V1074-H1076 VanDerWaalsContact C-N 3.32Å; V1074-H1076 PolarHBondContact O-N 3.14Å; V1074-L1077 PolarHBondContact O-N 3.16Å; V1074-L1077 VanDerWaalsContact O-N 3.14Å; V1074-A1078 PolarHBondContact O-N 3Å; V1074-A1078 VanDerWaalsContact O-N 3.11Å
1075K84.4Confident85.7Confident46 Ų4631.8 Ų31.820%0.216%0.161CC..Hα-helixtrans-52-49.7172.7-175.3-163.7171.3-145.70111.8D996 Q1071 K1073 L1077 A1078 E1079 Y1101D996-K1075 WeakPolarHBondContact OD2-CE 3.3Å; D996-K1075 IonicContact OD2-NZ 3.4Å; D996-K1075 PolarHBondContact OD2-NZ 3.3Å; Q1071-K1075 PolarHBondContact O-N 3.08Å; K1073-K1075 VanDerWaalsContact C-N 3.31Å; K1073-K1075 PolarHBondContact O-N 2.94Å; K1075-L1077 VanDerWaalsContact C-N 3.29Å; K1075-L1077 PolarHBondContact O-N 3.06Å; K1075-L1077 VanDerWaalsContact O-N 3.13Å; K1075-A1078 WeakPolarHBondContact O-CA 3.33Å; K1075-A1078 VanDerWaalsContact O-CB 3.26Å; K1075-A1078 WeakPolarHBondContact O-CB 3.24Å; K1075-A1078 PolarHBondContact O-N 2.98Å; K1075-E1079 WeakPolarHBondContact CD-OE1 3.25Å; K1075-E1079 VanDerWaalsContact CE-OE1 3.25Å; K1075-E1079 WeakPolarHBondContact CE-OE1 3.4Å; K1075-E1079 WeakPolarHBondContact CG-OE1 3.36Å; K1075-E1079 IonicContact NZ-OE1 3.08Å; K1075-E1079 PolarHBondContact NZ-OE1 3.24Å; K1075-E1079 PolarHBondContact O-N 3.11Å; K1075-Y1101 HydrophobicContact CB-CD1 4.49Å; K1075-Y1101 HydrophobicContact CB-CE1 4.01Å; K1075-Y1101 HydrophobicContact CG-CD1 4.15Å; K1075-Y1101 HydrophobicContact CG-CE1 4.03Å; K1075-Y1101 PolarHBondContact N-OH 2.94Å
1076H83.4Confident85.4Confident19.6 Ų19.631.7 Ų31.79%0.09117%0.165CC..Hα-helixtrans-60.6-30.4-180-51.586.1000114D925 E926 W930 D1072 K1073 V1074 A1078 E1079 L1080D925-H1076 PolarHBondContact O-CD2 2.99Å; D925-H1076 VanDerWaalsContact O-CD2 3.24Å; D925-H1076 PolarHBondContact O-NE2 3.06Å; E926-H1076 VanDerWaalsContact CB-NE2 3.3Å; E926-H1076 WeakPolarHBondContact CB-NE2 3.41Å; E926-H1076 PolarHBondContact O-CD2 3.35Å; E926-H1076 IonicContact OE2-CE1 3.31Å; E926-H1076 PolarHBondContact OE2-CE1 2.99Å; E926-H1076 IonicContact OE2-ND1 2.72Å; E926-H1076 IonicContact OE2-NE2 3Å; W930-H1076 HydrophobicContact CD2-CB 4.4Å; W930-H1076 HydrophobicContact CG-CB 4.38Å; W930-H1076 HydrophobicContact CZ2-CB 4.22Å; W930-H1076 WeakPolarHBondContact CZ2-O 3.33Å; W930-H1076 VanDerWaalsContact NE1-CB 3.3Å; W930-H1076 PolarHBondContact NE1-O 3.1Å; D1072-H1076 PolarHBondContact O-CE1 2.96Å; D1072-H1076 PolarHBondContact O-ND1 3.11Å; D1072-H1076 VanDerWaalsContact O-ND1 3.13Å; K1073-H1076 PolarHBondContact O-N 3.14Å; K1073-H1076 PolarHBondContact O-ND1 3.26Å; V1074-H1076 VanDerWaalsContact C-N 3.32Å; V1074-H1076 PolarHBondContact O-N 3.14Å; H1076-A1078 VanDerWaalsContact C-N 3.33Å; H1076-E1079 PolarHBondContact O-N 3.42Å; H1076-L1080 PolarHBondContact O-N 3.01Å
1077L88.8Confident85.1Confident0 Ų031.8 Ų31.80%017%0.165CC..Hα-helixtrans-78.1-32.1173.3178.260.6000111.8M866 W930 F1057 T1060 Y1061 V1074 K1075 E1079 N1081M866-L1077 HydrophobicContact CE-CB 4.05Å; M866-L1077 HydrophobicContact CE-CD2 3.53Å; M866-L1077 HydrophobicContact CE-CG 4.4Å; W930-L1077 HydrophobicContact CH2-CB 4.12Å; W930-L1077 HydrophobicContact CH2-CD1 3.92Å; W930-L1077 HydrophobicContact CH2-CG 4.42Å; W930-L1077 HydrophobicContact CZ2-CB 4.19Å; W930-L1077 HydrophobicContact CZ2-CD1 4.33Å; F1057-L1077 HydrophobicContact CB-CD1 4.18Å; F1057-L1077 HydrophobicContact CD2-CD1 4.38Å; F1057-L1077 HydrophobicContact CG-CD1 4.35Å; T1060-L1077 HydrophobicContact CG2-CD2 4.37Å; Y1061-L1077 HydrophobicContact CD2-CG 4.48Å; V1074-L1077 PolarHBondContact O-N 3.16Å; V1074-L1077 VanDerWaalsContact O-N 3.14Å; K1075-L1077 VanDerWaalsContact C-N 3.29Å; K1075-L1077 PolarHBondContact O-N 3.06Å; K1075-L1077 VanDerWaalsContact O-N 3.13Å; L1077-E1079 VanDerWaalsContact C-N 3.32Å; L1077-N1081 WeakPolarHBondContact CD1-OD1 3.32Å; L1077-N1081 VanDerWaalsContact O-CB 3.3Å; L1077-N1081 WeakPolarHBondContact O-CB 3.33Å; L1077-N1081 PolarHBondContact O-N 3.07Å; L1077-N1081 PolarHBondContact O-ND2 3.04Å; L1077-N1081 VanDerWaalsContact O-ND2 3.12Å
1078A87.3Confident84.9Confident0 Ų031.2 Ų31.20%016%0.162CC..Hα-helixtrans-63.9-41.8171.600000111.6Y1061 V1074 K1075 H1076 N1081 F1082 Y1097 Y1101 L1104Y1061-A1078 HydrophobicContact CD2-CB 4.4Å; Y1061-A1078 HydrophobicContact CE2-CB 3.8Å; V1074-A1078 PolarHBondContact O-N 3Å; V1074-A1078 VanDerWaalsContact O-N 3.11Å; K1075-A1078 WeakPolarHBondContact O-CA 3.33Å; K1075-A1078 VanDerWaalsContact O-CB 3.26Å; K1075-A1078 WeakPolarHBondContact O-CB 3.24Å; K1075-A1078 PolarHBondContact O-N 2.98Å; H1076-A1078 VanDerWaalsContact C-N 3.33Å; A1078-N1081 PolarHBondContact O-N 3.23Å; A1078-F1082 VanDerWaalsContact O-CB 3.26Å; A1078-F1082 WeakPolarHBondContact O-CB 3.38Å; A1078-F1082 PolarHBondContact O-N 3.17Å; A1078-Y1097 HydrophobicContact CB-CD1 4.03Å; A1078-Y1097 HydrophobicContact CB-CE1 4.49Å; A1078-Y1101 HydrophobicContact CB-CD2 3.68Å; A1078-Y1101 HydrophobicContact CB-CE2 3.66Å; A1078-L1104 HydrophobicContact CB-CD1 4.4Å
1079E85.5Confident84.9Confident20 Ų2034.8 Ų34.89%0.09318%0.176CC..Hα-helixtrans-57.5-51.4175.9-72.4162.7-168.100111.9F924 K1075 H1076 L1077 N1081 F1082 I1083 L1104F924-E1079 HydrophobicContact CD1-CB 4.24Å; F924-E1079 HydrophobicContact CE1-CB 4.2Å; K1075-E1079 WeakPolarHBondContact CD-OE1 3.25Å; K1075-E1079 VanDerWaalsContact CE-OE1 3.25Å; K1075-E1079 WeakPolarHBondContact CE-OE1 3.4Å; K1075-E1079 WeakPolarHBondContact CG-OE1 3.36Å; K1075-E1079 IonicContact NZ-OE1 3.08Å; K1075-E1079 PolarHBondContact NZ-OE1 3.24Å; K1075-E1079 PolarHBondContact O-N 3.11Å; H1076-E1079 PolarHBondContact O-N 3.42Å; L1077-E1079 VanDerWaalsContact C-N 3.32Å; E1079-N1081 PolarHBondContact O-N 3.13Å; E1079-F1082 WeakPolarHBondContact O-CB 3.31Å; E1079-F1082 PolarHBondContact O-N 3.29Å; E1079-I1083 WeakPolarHBondContact O-CG1 3.34Å; E1079-I1083 PolarHBondContact O-N 3.05Å; E1079-I1083 VanDerWaalsContact O-N 3.09Å; E1079-L1104 HydrophobicContact CB-CD2 4.44Å; E1079-L1104 HydrophobicContact CG-CD2 3.54Å; E1079-L1104 VanDerWaalsContact CG-CD2 3.45Å
1080L87.1Confident85Confident0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-61.8-43.4176.7178.760.3000111.9F924 W930 A934 L938 F1057 H1076 F1082 I1083 I1084F924-L1080 HydrophobicContact CE1-CB 4.3Å; F924-L1080 HydrophobicContact CZ-CD1 4.24Å; W930-L1080 HydrophobicContact CH2-CD2 4.36Å; W930-L1080 HydrophobicContact CZ2-CB 4.39Å; W930-L1080 HydrophobicContact CZ2-CD2 4.11Å; A934-L1080 HydrophobicContact CB-CD1 4.1Å; A934-L1080 HydrophobicContact CB-CD2 4.13Å; A934-L1080 HydrophobicContact CB-CG 4.5Å; L938-L1080 HydrophobicContact CD1-CD1 4.21Å; L938-L1080 HydrophobicContact CD2-CD1 4.43Å; L938-L1080 HydrophobicContact CG-CD1 4.24Å; F1057-L1080 HydrophobicContact CD2-CD2 4.38Å; F1057-L1080 HydrophobicContact CE2-CD2 3.98Å; H1076-L1080 PolarHBondContact O-N 3.01Å; L1080-F1082 VanDerWaalsContact C-N 3.33Å; L1080-F1082 PolarHBondContact O-N 3.3Å; L1080-I1083 PolarHBondContact O-N 3.31Å; L1080-I1084 HydrophobicContact CD1-CD1 3.94Å; L1080-I1084 HydrophobicContact CD1-CG1 4.32Å; L1080-I1084 HydrophobicContact CG-CD1 3.92Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.35Å; L1080-I1084 PolarHBondContact O-N 3.07Å
1081N90.1Very high85Confident0 Ų033.9 Ų33.90%018%0.177CC..Hα-helixtrans-68-34179-72.2-16.8000112.6L1054 F1057 L1077 A1078 E1079 I1084 S1085 Y1097L1054-N1081 HydrophobicContact CD1-CB 4.04Å; F1057-N1081 VanDerWaalsContact CB-OD1 3.22Å; F1057-N1081 WeakPolarHBondContact CB-OD1 3.27Å; L1077-N1081 WeakPolarHBondContact CD1-OD1 3.32Å; L1077-N1081 VanDerWaalsContact O-CB 3.3Å; L1077-N1081 WeakPolarHBondContact O-CB 3.33Å; L1077-N1081 PolarHBondContact O-N 3.07Å; L1077-N1081 PolarHBondContact O-ND2 3.04Å; L1077-N1081 VanDerWaalsContact O-ND2 3.12Å; A1078-N1081 PolarHBondContact O-N 3.23Å; E1079-N1081 PolarHBondContact O-N 3.13Å; N1081-I1084 PolarHBondContact O-N 3.21Å; N1081-S1085 VanDerWaalsContact O-CB 3.26Å; N1081-S1085 WeakPolarHBondContact O-CB 3.29Å; N1081-S1085 PolarHBondContact O-N 3.18Å; N1081-S1085 PolarHBondContact O-OG 3.05Å; N1081-S1085 VanDerWaalsContact O-OG 3.07Å; N1081-Y1097 HydrophobicContact CB-CD2 4.31Å; N1081-Y1097 HydrophobicContact CB-CE1 4.15Å; N1081-Y1097 HydrophobicContact CB-CE2 3.51Å; N1081-Y1097 VanDerWaalsContact CB-CE2 3.48Å; N1081-Y1097 VanDerWaalsContact CB-CZ 3.46Å; N1081-Y1097 VanDerWaalsContact CB-OH 3.29Å; N1081-Y1097 WeakPolarHBondContact CB-OH 3.28Å; N1081-Y1097 PolarHBondContact ND2-OH 3.21Å; N1081-Y1097 VanDerWaalsContact ND2-OH 3.15Å
1082F88Confident85.3Confident7.8 Ų7.830.8 Ų30.83%0.03417%0.167CC..Hα-helixtrans-62.3-48.5174176.2-98.3000110.4A1078 E1079 L1080 I1084 S1085 S1086 T1094 Y1097 E1098 L1104 I1107A1078-F1082 VanDerWaalsContact O-CB 3.26Å; A1078-F1082 WeakPolarHBondContact O-CB 3.38Å; A1078-F1082 PolarHBondContact O-N 3.17Å; E1079-F1082 WeakPolarHBondContact O-CB 3.31Å; E1079-F1082 PolarHBondContact O-N 3.29Å; L1080-F1082 VanDerWaalsContact C-N 3.33Å; L1080-F1082 PolarHBondContact O-N 3.3Å; F1082-I1084 PolarHBondContact O-N 3.16Å; F1082-S1085 WeakPolarHBondContact CA-OG 3.26Å; F1082-S1085 PolarHBondContact O-N 3.11Å; F1082-S1085 VanDerWaalsContact O-N 3.12Å; F1082-S1085 PolarHBondContact O-OG 3.02Å; F1082-S1085 VanDerWaalsContact O-OG 3.07Å; F1082-S1086 WeakPolarHBondContact O-CB 3.35Å; F1082-S1086 PolarHBondContact O-N 3.09Å; F1082-S1086 PolarHBondContact O-OG 3.08Å; F1082-S1086 VanDerWaalsContact O-OG 3.07Å; F1082-T1094 HydrophobicContact CD2-CG2 4.44Å; F1082-T1094 HydrophobicContact CE2-CG2 4.33Å; F1082-Y1097 HydrophobicContact CB-CD2 4.36Å; F1082-E1098 HydrophobicContact CD2-CG 4.43Å; F1082-E1098 HydrophobicContact CE2-CG 3.82Å; F1082-E1098 WeakPolarHBondContact CE2-OE1 3.35Å; F1082-L1104 HydrophobicContact CB-CD1 4.25Å; F1082-L1104 HydrophobicContact CG-CB 4.49Å; F1082-L1104 HydrophobicContact CG-CD1 4.41Å; F1082-I1107 HydrophobicContact CE1-CB 4.05Å; F1082-I1107 HydrophobicContact CE1-CG2 4.19Å
1083I84.7Confident85.8Confident11.4 Ų11.424.7 Ų24.76%0.05814%0.135CC..Hα-helixtrans-58.4-49.9175.4-66.7166.4000110.8F924 L938 E1079 L1080 S1085 S1086 I1087 L1109F924-I1083 HydrophobicContact CE1-CD1 3.83Å; F924-I1083 HydrophobicContact CZ-CD1 3.73Å; L938-I1083 HydrophobicContact CD1-CG2 4.37Å; L938-I1083 HydrophobicContact CD2-CG2 4.22Å; E1079-I1083 WeakPolarHBondContact O-CG1 3.34Å; E1079-I1083 PolarHBondContact O-N 3.05Å; E1079-I1083 VanDerWaalsContact O-N 3.09Å; L1080-I1083 PolarHBondContact O-N 3.31Å; I1083-S1085 VanDerWaalsContact C-N 3.32Å; I1083-S1085 PolarHBondContact O-N 2.95Å; I1083-S1086 WeakPolarHBondContact O-CB 3.33Å; I1083-S1086 PolarHBondContact O-N 3.2Å; I1083-I1087 HydrophobicContact CG2-CD1 3.9Å; I1083-I1087 VanDerWaalsContact O-CG1 3.29Å; I1083-I1087 WeakPolarHBondContact O-CG1 3.34Å; I1083-I1087 PolarHBondContact O-N 3.24Å; I1083-L1109 HydrophobicContact CB-CD1 4.33Å; I1083-L1109 HydrophobicContact CG1-CD1 4.28Å; I1083-L1109 HydrophobicContact CG2-CD1 4.14Å
1084I87.1Confident86.1Confident0.4 Ų0.421.7 Ų21.70%0.00212%0.123CC..Hα-helixtrans-63.8-39.7179.8-64.4168000111.6I937 L938 L1050 L1054 F1057 L1080 N1081 F1082 S1086 I1087 L1088I937-I1084 HydrophobicContact CG2-CD1 4.29Å; L938-I1084 HydrophobicContact CD2-CG1 4.23Å; L1050-I1084 HydrophobicContact CD1-CG2 4.02Å; L1050-I1084 HydrophobicContact CD2-CG2 4.46Å; L1050-I1084 HydrophobicContact CG-CG2 4.08Å; L1054-I1084 HydrophobicContact CB-CG2 3.89Å; L1054-I1084 HydrophobicContact CD1-CB 4.22Å; L1054-I1084 HydrophobicContact CD1-CG2 4.06Å; L1054-I1084 HydrophobicContact CD2-CG2 4.44Å; L1054-I1084 HydrophobicContact CG-CG2 4.34Å; F1057-I1084 HydrophobicContact CD2-CD1 4.29Å; F1057-I1084 HydrophobicContact CE2-CD1 4.36Å; L1080-I1084 HydrophobicContact CD1-CD1 3.94Å; L1080-I1084 HydrophobicContact CD1-CG1 4.32Å; L1080-I1084 HydrophobicContact CG-CD1 3.92Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.35Å; L1080-I1084 PolarHBondContact O-N 3.07Å; N1081-I1084 PolarHBondContact O-N 3.21Å; F1082-I1084 PolarHBondContact O-N 3.16Å; I1084-S1086 VanDerWaalsContact C-N 3.33Å; I1084-S1086 PolarHBondContact O-N 2.95Å; I1084-I1087 WeakPolarHBondContact O-CB 3.28Å; I1084-I1087 PolarHBondContact O-N 3.16Å; I1084-L1088 HydrophobicContact CG2-CD1 4.09Å; I1084-L1088 WeakPolarHBondContact O-CB 3.38Å; I1084-L1088 WeakPolarHBondContact O-CG 3.36Å; I1084-L1088 PolarHBondContact O-N 3.05Å
1085S87.9Confident86.1Confident0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-68.5-31.217765.60000113.1N1081 F1082 I1083 L1088 N1089 L1090 T1094N1081-S1085 VanDerWaalsContact O-CB 3.26Å; N1081-S1085 WeakPolarHBondContact O-CB 3.29Å; N1081-S1085 PolarHBondContact O-N 3.18Å; N1081-S1085 PolarHBondContact O-OG 3.05Å; N1081-S1085 VanDerWaalsContact O-OG 3.07Å; F1082-S1085 WeakPolarHBondContact CA-OG 3.26Å; F1082-S1085 PolarHBondContact O-N 3.11Å; F1082-S1085 VanDerWaalsContact O-N 3.12Å; F1082-S1085 PolarHBondContact O-OG 3.02Å; F1082-S1085 VanDerWaalsContact O-OG 3.07Å; I1083-S1085 VanDerWaalsContact C-N 3.32Å; I1083-S1085 PolarHBondContact O-N 2.95Å; S1085-L1088 PolarHBondContact O-N 3.01Å; S1085-N1089 PolarHBondContact O-N 3.31Å; S1085-N1089 VanDerWaalsContact O-N 3.1Å; S1085-L1090 PolarHBondContact O-N 3.33Å; S1085-T1094 VanDerWaalsContact OG-CG2 3.27Å; S1085-T1094 WeakPolarHBondContact OG-CG2 3.36Å
1086S84.7Confident86.3Confident33.6 Ų33.623.9 Ų23.924%0.23514%0.139CC..Hα-helixtrans-69.2-43172.1-58.10000111.3F1082 I1083 I1084 L1088 N1089 T1094F1082-S1086 WeakPolarHBondContact O-CB 3.35Å; F1082-S1086 PolarHBondContact O-N 3.09Å; F1082-S1086 PolarHBondContact O-OG 3.08Å; F1082-S1086 VanDerWaalsContact O-OG 3.07Å; I1083-S1086 WeakPolarHBondContact O-CB 3.33Å; I1083-S1086 PolarHBondContact O-N 3.2Å; I1084-S1086 VanDerWaalsContact C-N 3.33Å; I1084-S1086 PolarHBondContact O-N 2.95Å; S1086-L1088 VanDerWaalsContact C-N 3.33Å; S1086-L1088 PolarHBondContact O-N 2.97Å; S1086-N1089 PolarHBondContact O-N 3.23Å; S1086-N1089 VanDerWaalsContact O-N 3.12Å; S1086-T1094 WeakPolarHBondContact OG-CG2 3.46Å
1087I81.6Confident86.6Confident12 Ų1223 Ų236%0.06214%0.135CC..Hα-helixtrans-60.6-42.4174.5-67.7167.1000111.1L938 F943 L1034 L1050 I1083 I1084 N1089 L1109 F1115L938-I1087 HydrophobicContact CD2-CD1 4.11Å; F943-I1087 HydrophobicContact CD2-CD1 4.34Å; F943-I1087 HydrophobicContact CE1-CG2 4.14Å; F943-I1087 HydrophobicContact CE2-CD1 4.3Å; F943-I1087 HydrophobicContact CE2-CG2 4.12Å; F943-I1087 HydrophobicContact CZ-CD1 4.42Å; F943-I1087 HydrophobicContact CZ-CG2 3.63Å; F943-I1087 VanDerWaalsContact CZ-CG2 3.47Å; L1034-I1087 HydrophobicContact CD1-CD1 4.09Å; L1034-I1087 HydrophobicContact CD1-CG1 4.29Å; L1034-I1087 HydrophobicContact CD2-CD1 3.89Å; L1034-I1087 HydrophobicContact CD2-CG1 3.72Å; L1050-I1087 HydrophobicContact CD2-CG2 4.18Å; I1083-I1087 HydrophobicContact CG2-CD1 3.9Å; I1083-I1087 VanDerWaalsContact O-CG1 3.29Å; I1083-I1087 WeakPolarHBondContact O-CG1 3.34Å; I1083-I1087 PolarHBondContact O-N 3.24Å; I1084-I1087 WeakPolarHBondContact O-CB 3.28Å; I1084-I1087 PolarHBondContact O-N 3.16Å; I1087-N1089 VanDerWaalsContact C-N 3.27Å; I1087-N1089 PolarHBondContact O-N 3.33Å; I1087-L1109 HydrophobicContact CB-CD2 4.5Å; I1087-L1109 HydrophobicContact CG1-CD2 3.75Å; I1087-F1115 HydrophobicContact CG2-CD2 4.08Å; I1087-F1115 HydrophobicContact CG2-CE1 3.9Å; I1087-F1115 HydrophobicContact CG2-CE2 3.63Å; I1087-F1115 HydrophobicContact CG2-CZ 3.89Å; I1087-F1115 VanDerWaalsContact O-CZ 3.29Å; I1087-F1115 WeakPolarHBondContact O-CZ 3.22Å
1088L82.6Confident86.5Confident16.4 Ų16.425.9 Ų25.99%0.08615%0.148CC..THydrogen-bonded Turntrans-79.3-1.7177.8-70.2175.7000114.1L1050 P1051 L1054 I1084 S1085 S1086 L1090 F1115 L1120L1050-L1088 HydrophobicContact CB-CD2 4.48Å; L1050-L1088 HydrophobicContact CD2-CD1 4.45Å; L1050-L1088 HydrophobicContact CD2-CD2 3.99Å; L1050-L1088 HydrophobicContact CD2-CG 4.18Å; L1050-L1088 HydrophobicContact CG-CD1 4.28Å; L1050-L1088 HydrophobicContact CG-CD2 4.36Å; L1050-L1088 HydrophobicContact CG-CG 4.42Å; P1051-L1088 HydrophobicContact CB-CD1 4.37Å; P1051-L1088 HydrophobicContact CG-CD1 4.34Å; P1051-L1088 HydrophobicContact CG-CD2 4.21Å; L1054-L1088 HydrophobicContact CB-CD1 4.27Å; L1054-L1088 HydrophobicContact CD2-CD1 3.9Å; I1084-L1088 HydrophobicContact CG2-CD1 4.09Å; I1084-L1088 WeakPolarHBondContact O-CB 3.38Å; I1084-L1088 WeakPolarHBondContact O-CG 3.36Å; I1084-L1088 PolarHBondContact O-N 3.05Å; S1085-L1088 PolarHBondContact O-N 3.01Å; S1086-L1088 VanDerWaalsContact C-N 3.33Å; S1086-L1088 PolarHBondContact O-N 2.97Å; L1088-L1090 HydrophobicContact CB-CD1 4.01Å; L1088-L1090 HydrophobicContact CB-CG 4.04Å; L1088-L1090 HydrophobicContact CD1-CD1 4.29Å; L1088-L1090 PolarHBondContact O-N 3.46Å; L1088-F1115 HydrophobicContact CD2-CZ 4.38Å; L1088-L1120 HydrophobicContact CD2-CD1 3.94Å; L1088-L1120 HydrophobicContact CD2-CD2 4.39Å
1089N84.8Confident86.4Confident136.4 Ų136.431.1 Ų31.173%0.72918%0.18SC*.THydrogen-bonded Turntrans52.851.1-176.7-165.619.1000113.5S1085 S1086 I1087 P1091S1085-N1089 PolarHBondContact O-N 3.31Å; S1085-N1089 VanDerWaalsContact O-N 3.1Å; S1086-N1089 PolarHBondContact O-N 3.23Å; S1086-N1089 VanDerWaalsContact O-N 3.12Å; I1087-N1089 VanDerWaalsContact C-N 3.27Å; I1087-N1089 PolarHBondContact O-N 3.33Å; N1089-P1091 VanDerWaalsContact O-CD 3.22Å; N1089-P1091 WeakPolarHBondContact O-CD 3.32Å
1090L86.1Confident86.3Confident20.2 Ų20.233.9 Ų33.911%0.10619%0.193CC..  trans-106.586.5-179.3-69.2176000111.5L1054 S1085 L1088 A1092 Y1093 T1094 W1122 F1128L1054-L1090 HydrophobicContact CD2-CD1 3.64Å; S1085-L1090 PolarHBondContact O-N 3.33Å; L1088-L1090 HydrophobicContact CB-CD1 4.01Å; L1088-L1090 HydrophobicContact CB-CG 4.04Å; L1088-L1090 HydrophobicContact CD1-CD1 4.29Å; L1088-L1090 PolarHBondContact O-N 3.46Å; L1090-A1092 VanDerWaalsContact C-N 3.27Å; L1090-A1092 PolarHBondContact O-N 3.01Å; L1090-A1092 VanDerWaalsContact O-N 3.15Å; L1090-Y1093 HydrophobicContact CB-CD2 4.22Å; L1090-Y1093 HydrophobicContact CD1-CD2 4.36Å; L1090-Y1093 PolarHBondContact O-N 3.09Å; L1090-Y1093 VanDerWaalsContact O-N 3.12Å; L1090-T1094 PolarHBondContact O-N 3.29Å; L1090-T1094 VanDerWaalsContact O-N 3.15Å; L1090-W1122 HydrophobicContact CD1-CH2 4.41Å; L1090-W1122 HydrophobicContact CD1-CZ3 4.38Å; L1090-W1122 HydrophobicContact CD2-CH2 4.18Å; L1090-W1122 HydrophobicContact CD2-CZ3 4.39Å; L1090-W1122 HydrophobicContact CG-CH2 4.46Å; L1090-F1128 HydrophobicContact CD1-CD1 4.06Å; L1090-F1128 HydrophobicContact CD2-CB 4.06Å
1091P85.7Confident86.1Confident85.4 Ų85.436.1 Ų36.156%0.55520%0.202SC*.Hα-helixtrans-63.8-27.6-171.824.8-35.2000113.9N1089 Y1093 T1094 T1095N1089-P1091 VanDerWaalsContact O-CD 3.22Å; N1089-P1091 WeakPolarHBondContact O-CD 3.32Å; P1091-Y1093 VanDerWaalsContact C-N 3.29Å; P1091-Y1093 PolarHBondContact O-N 3.3Å; P1091-T1094 WeakPolarHBondContact CA-OG1 3.32Å; P1091-T1094 PolarHBondContact O-OG1 3.18Å; P1091-T1094 VanDerWaalsContact O-OG1 3.13Å; P1091-T1095 WeakPolarHBondContact O-CB 3.33Å; P1091-T1095 VanDerWaalsContact O-CG2 3.27Å; P1091-T1095 WeakPolarHBondContact O-CG2 3.41Å; P1091-T1095 PolarHBondContact O-N 3.16Å; P1091-T1095 VanDerWaalsContact O-N 3.1Å; P1091-T1095 PolarHBondContact O-OG1 3.09Å
1092A86.7Confident85.6Confident25.8 Ų25.840.2 Ų40.221%0.21323%0.228CC..Hα-helixtrans-68.1-27.3176.400000113.1L1090 T1095 F1096 D1129L1090-A1092 VanDerWaalsContact C-N 3.27Å; L1090-A1092 PolarHBondContact O-N 3.01Å; L1090-A1092 VanDerWaalsContact O-N 3.15Å; A1092-T1095 PolarHBondContact O-OG1 3.26Å; A1092-T1095 VanDerWaalsContact O-OG1 3.11Å; A1092-F1096 VanDerWaalsContact O-CB 3.31Å; A1092-F1096 WeakPolarHBondContact O-CB 3.4Å; A1092-F1096 PolarHBondContact O-N 3.38Å; A1092-D1129 WeakPolarHBondContact CB-O 3.32Å
1093Y87.9Confident84.9Confident0 Ų045 Ų450%025%0.254CS..Hα-helixtrans-87.5-40176.7-79.4-99.1000111.5H1058 L1090 P1091 F1096 Y1097 F1128 A1131 P1132H1058-Y1093 HydrophobicContact CB-CE1 4.14Å; H1058-Y1093 AromaticContact CD2-CE1 3.96Å; H1058-Y1093 AromaticContact CG-CE1 3.74Å; H1058-Y1093 AromaticContact ND1-CD1 3.88Å; H1058-Y1093 AromaticContact ND1-CE1 3.83Å; L1090-Y1093 HydrophobicContact CB-CD2 4.22Å; L1090-Y1093 HydrophobicContact CD1-CD2 4.36Å; L1090-Y1093 PolarHBondContact O-N 3.09Å; L1090-Y1093 VanDerWaalsContact O-N 3.12Å; P1091-Y1093 VanDerWaalsContact C-N 3.29Å; P1091-Y1093 PolarHBondContact O-N 3.3Å; Y1093-F1096 WeakPolarHBondContact O-CB 3.32Å; Y1093-F1096 PolarHBondContact O-N 3.18Å; Y1093-Y1097 HydrophobicContact CD1-CE2 4.34Å; Y1093-Y1097 WeakPolarHBondContact O-CD2 3.4Å; Y1093-Y1097 PolarHBondContact O-N 3.22Å; Y1093-Y1097 VanDerWaalsContact O-N 3.11Å; Y1093-F1128 HydrophobicContact CE2-CB 4.36Å; Y1093-F1128 HydrophobicContact CE2-CD1 4.05Å; Y1093-F1128 WeakPolarHBondContact CE2-O 3.39Å; Y1093-A1131 HydrophobicContact CD1-CB 4.08Å; Y1093-A1131 HydrophobicContact CD2-CB 4.44Å; Y1093-A1131 HydrophobicContact CE1-CB 4.09Å; Y1093-A1131 HydrophobicContact CE2-CB 4.44Å; Y1093-A1131 HydrophobicContact CG-CB 4.34Å; Y1093-P1132 VanDerWaalsContact OH-CD 3.31Å; Y1093-P1132 WeakPolarHBondContact OH-CD 3.33Å
1094T86.7Confident84.2Confident20.4 Ų20.444.7 Ų44.713%0.12525%0.253CS..Hα-helixtrans-60.9-50.8176.159.90000110.6F1082 S1085 S1086 L1090 P1091 F1096 Y1097 E1098F1082-T1094 HydrophobicContact CD2-CG2 4.44Å; F1082-T1094 HydrophobicContact CE2-CG2 4.33Å; S1085-T1094 VanDerWaalsContact OG-CG2 3.27Å; S1085-T1094 WeakPolarHBondContact OG-CG2 3.36Å; S1086-T1094 WeakPolarHBondContact OG-CG2 3.46Å; L1090-T1094 PolarHBondContact O-N 3.29Å; L1090-T1094 VanDerWaalsContact O-N 3.15Å; P1091-T1094 WeakPolarHBondContact CA-OG1 3.32Å; P1091-T1094 PolarHBondContact O-OG1 3.18Å; P1091-T1094 VanDerWaalsContact O-OG1 3.13Å; T1094-F1096 VanDerWaalsContact C-N 3.28Å; T1094-F1096 PolarHBondContact O-N 3.16Å; T1094-Y1097 PolarHBondContact O-N 3.2Å; T1094-Y1097 VanDerWaalsContact O-N 3.12Å; T1094-E1098 WeakPolarHBondContact O-CB 3.35Å; T1094-E1098 VanDerWaalsContact O-CG 3.3Å; T1094-E1098 WeakPolarHBondContact O-CG 3.34Å; T1094-E1098 PolarHBondContact O-N 3.27Å
1095T87.6Confident83.1Confident69 Ų6947.9 Ų47.942%0.42328%0.275SS..Hα-helixtrans-60.6-36.1177.552.80000112.6P1091 A1092 E1098 T1099P1091-T1095 WeakPolarHBondContact O-CB 3.33Å; P1091-T1095 VanDerWaalsContact O-CG2 3.27Å; P1091-T1095 WeakPolarHBondContact O-CG2 3.41Å; P1091-T1095 PolarHBondContact O-N 3.16Å; P1091-T1095 VanDerWaalsContact O-N 3.1Å; P1091-T1095 PolarHBondContact O-OG1 3.09Å; A1092-T1095 PolarHBondContact O-OG1 3.26Å; A1092-T1095 VanDerWaalsContact O-OG1 3.11Å; T1095-E1098 WeakPolarHBondContact CA-OE2 3.36Å; T1095-E1098 PolarHBondContact O-N 3.29Å; T1095-T1099 VanDerWaalsContact O-CG2 3.29Å; T1095-T1099 WeakPolarHBondContact O-CG2 3.31Å; T1095-T1099 PolarHBondContact O-N 3.24Å; T1095-T1099 PolarHBondContact O-OG1 3.22Å
1096F89Confident81.8Confident23.8 Ų23.851.7 Ų51.710%0.10429%0.292CS..Hα-helixtrans-61.1-49174.4174.4-97.8000111.9H1058 Y1061 E1062 A1092 Y1093 T1094 E1098 T1099 E1100 A1131 C1133H1058-F1096 AromaticContact CE1-CD1 3.91Å; H1058-F1096 AromaticContact CE1-CE1 3.54Å; H1058-F1096 VanDerWaalsContact CE1-CE1 3.49Å; H1058-F1096 WeakPolarHBondContact CE1-CE1 3.45Å; Y1061-F1096 HydrophobicContact CD1-CE1 4.4Å; Y1061-F1096 AromaticContact CE1-CE1 3.7Å; Y1061-F1096 HydrophobicContact CE1-CE1 3.7Å; Y1061-F1096 AromaticContact CE1-CZ 3.97Å; Y1061-F1096 HydrophobicContact CE1-CZ 4.13Å; E1062-F1096 WeakPolarHBondContact OE1-CZ 3.29Å; A1092-F1096 VanDerWaalsContact O-CB 3.31Å; A1092-F1096 WeakPolarHBondContact O-CB 3.4Å; A1092-F1096 PolarHBondContact O-N 3.38Å; Y1093-F1096 WeakPolarHBondContact O-CB 3.32Å; Y1093-F1096 PolarHBondContact O-N 3.18Å; T1094-F1096 VanDerWaalsContact C-N 3.28Å; T1094-F1096 PolarHBondContact O-N 3.16Å; F1096-E1098 PolarHBondContact O-N 3.08Å; F1096-T1099 PolarHBondContact O-N 3.32Å; F1096-T1099 PolarHBondContact O-OG1 3.13Å; F1096-E1100 HydrophobicContact CE1-CG 4.4Å; F1096-E1100 HydrophobicContact CE2-CG 4.39Å; F1096-E1100 HydrophobicContact CZ-CG 4.3Å; F1096-E1100 WeakPolarHBondContact O-CG 3.43Å; F1096-E1100 PolarHBondContact O-N 3.11Å; F1096-A1131 HydrophobicContact CB-CB 3.86Å; F1096-A1131 HydrophobicContact CD1-CB 4.12Å; F1096-A1131 HydrophobicContact CD2-CB 4.1Å; F1096-A1131 HydrophobicContact CG-CB 3.75Å; F1096-C1133 HydrophobicContact CE2-CB 3.69Å; F1096-C1133 HydrophobicContact CZ-CB 4.02Å
1097Y88.8Confident80.8Confident0 Ų051.7 Ų51.70%029%0.289CS..Hα-helixtrans-68.7-34.9178.4-62.9-57.2000112.8H1058 Y1061 A1078 N1081 F1082 Y1093 T1094 T1099 E1100 Y1101H1058-Y1097 AromaticContact ND1-CZ 3.68Å; H1058-Y1097 PolarHBondContact ND1-OH 3.12Å; Y1061-Y1097 HydrophobicContact CD1-CE1 4.21Å; Y1061-Y1097 HydrophobicContact CD2-CE1 4.44Å; Y1061-Y1097 HydrophobicContact CE1-CD1 4.44Å; Y1061-Y1097 AromaticContact CE1-CE1 3.92Å; Y1061-Y1097 HydrophobicContact CE1-CE1 4.1Å; Y1061-Y1097 HydrophobicContact CE2-CD1 4.5Å; Y1061-Y1097 HydrophobicContact CE2-CE1 4.35Å; Y1061-Y1097 HydrophobicContact CG-CE1 4.4Å; Y1061-Y1097 AromaticContact CZ-CE1 3.96Å; A1078-Y1097 HydrophobicContact CB-CD1 4.03Å; A1078-Y1097 HydrophobicContact CB-CE1 4.49Å; N1081-Y1097 HydrophobicContact CB-CD2 4.31Å; N1081-Y1097 HydrophobicContact CB-CE1 4.15Å; N1081-Y1097 HydrophobicContact CB-CE2 3.51Å; N1081-Y1097 VanDerWaalsContact CB-CE2 3.48Å; N1081-Y1097 VanDerWaalsContact CB-CZ 3.46Å; N1081-Y1097 VanDerWaalsContact CB-OH 3.29Å; N1081-Y1097 WeakPolarHBondContact CB-OH 3.28Å; N1081-Y1097 PolarHBondContact ND2-OH 3.21Å; N1081-Y1097 VanDerWaalsContact ND2-OH 3.15Å; F1082-Y1097 HydrophobicContact CB-CD2 4.36Å; Y1093-Y1097 HydrophobicContact CD1-CE2 4.34Å; Y1093-Y1097 WeakPolarHBondContact O-CD2 3.4Å; Y1093-Y1097 PolarHBondContact O-N 3.22Å; Y1093-Y1097 VanDerWaalsContact O-N 3.11Å; T1094-Y1097 PolarHBondContact O-N 3.2Å; T1094-Y1097 VanDerWaalsContact O-N 3.12Å; Y1097-T1099 VanDerWaalsContact C-N 3.34Å; Y1097-T1099 PolarHBondContact O-N 3.32Å; Y1097-E1100 PolarHBondContact O-N 3.12Å; Y1097-Y1101 PolarHBondContact O-N 3.09Å
1098E86.6Confident79.8Confident61.2 Ų61.252.7 Ų52.729%0.28630%0.297SS..Hα-helixtrans-61.6-40.5172.4-72.1168-177.700112.2F1082 T1094 T1095 F1096 E1100 Y1101 P1102F1082-E1098 HydrophobicContact CD2-CG 4.43Å; F1082-E1098 HydrophobicContact CE2-CG 3.82Å; F1082-E1098 WeakPolarHBondContact CE2-OE1 3.35Å; T1094-E1098 WeakPolarHBondContact O-CB 3.35Å; T1094-E1098 VanDerWaalsContact O-CG 3.3Å; T1094-E1098 WeakPolarHBondContact O-CG 3.34Å; T1094-E1098 PolarHBondContact O-N 3.27Å; T1095-E1098 WeakPolarHBondContact CA-OE2 3.36Å; T1095-E1098 PolarHBondContact O-N 3.29Å; F1096-E1098 PolarHBondContact O-N 3.08Å; E1098-E1100 VanDerWaalsContact C-N 3.34Å; E1098-E1100 PolarHBondContact O-N 3.46Å; E1098-Y1101 CarbonylContact O-C 3.37Å; E1098-Y1101 VanDerWaalsContact O-C 3.27Å; E1098-P1102 WeakPolarHBondContact O-CA 3.28Å
1099T86.2Confident78.9Confident110.2 Ų110.253.8 Ų53.868%0.67630%0.303SS*.Hα-helixtrans-69.8-30177.955.20000113.5T1095 F1096 Y1097T1095-T1099 VanDerWaalsContact O-CG2 3.29Å; T1095-T1099 WeakPolarHBondContact O-CG2 3.31Å; T1095-T1099 PolarHBondContact O-N 3.24Å; T1095-T1099 PolarHBondContact O-OG1 3.22Å; F1096-T1099 PolarHBondContact O-N 3.32Å; F1096-T1099 PolarHBondContact O-OG1 3.13Å; Y1097-T1099 VanDerWaalsContact C-N 3.34Å; Y1097-T1099 PolarHBondContact O-N 3.32Å
1100E81.7Confident77.7Confident77.2 Ų77.249.7 Ų49.736%0.36128%0.283SS..Hα-helixtrans-82.4-37.2176.9-68.2-100.7154.200111.9Y1061 K1065 F1096 Y1097 E1098Y1061-E1100 PolarHBondContact OH-OE2 3.32Å; Y1061-E1100 VanDerWaalsContact OH-OE2 3.04Å; K1065-E1100 VanDerWaalsContact CE-OE2 3.25Å; K1065-E1100 WeakPolarHBondContact CE-OE2 3.42Å; K1065-E1100 VanDerWaalsContact NZ-CD 3.31Å; K1065-E1100 IonicContact NZ-OE1 3.39Å; K1065-E1100 PolarHBondContact NZ-OE1 2.99Å; K1065-E1100 IonicContact NZ-OE2 3.04Å; K1065-E1100 PolarHBondContact NZ-OE2 3.36Å; F1096-E1100 HydrophobicContact CE1-CG 4.4Å; F1096-E1100 HydrophobicContact CE2-CG 4.39Å; F1096-E1100 HydrophobicContact CZ-CG 4.3Å; F1096-E1100 WeakPolarHBondContact O-CG 3.43Å; F1096-E1100 PolarHBondContact O-N 3.11Å; Y1097-E1100 PolarHBondContact O-N 3.12Å; E1098-E1100 VanDerWaalsContact C-N 3.34Å; E1098-E1100 PolarHBondContact O-N 3.46Å
1101Y83.4Confident76.5Confident47.6 Ų47.652.4 Ų52.419%0.18730%0.3CS..  trans-132.189.3180-62.4-78000111.2Y1061 K1075 A1078 Y1097 E1098 N1103 L1104Y1061-Y1101 HydrophobicContact CE2-CE2 4.19Å; Y1061-Y1101 WeakPolarHBondContact OH-CE2 3.4Å; K1075-Y1101 HydrophobicContact CB-CD1 4.49Å; K1075-Y1101 HydrophobicContact CB-CE1 4.01Å; K1075-Y1101 HydrophobicContact CG-CD1 4.15Å; K1075-Y1101 HydrophobicContact CG-CE1 4.03Å; K1075-Y1101 PolarHBondContact N-OH 2.94Å; A1078-Y1101 HydrophobicContact CB-CD2 3.68Å; A1078-Y1101 HydrophobicContact CB-CE2 3.66Å; Y1097-Y1101 PolarHBondContact O-N 3.09Å; E1098-Y1101 CarbonylContact O-C 3.37Å; E1098-Y1101 VanDerWaalsContact O-C 3.27Å; Y1101-N1103 PolarHBondContact O-N 3.23Å; Y1101-L1104 HydrophobicContact CD2-CD1 4.48Å; Y1101-L1104 WeakPolarHBondContact O-CB 3.31Å; Y1101-L1104 WeakPolarHBondContact O-CG 3.36Å; Y1101-L1104 PolarHBondContact O-N 3.03Å; Y1101-L1104 VanDerWaalsContact O-N 3.07Å
1102P79.6Confident74.9Confident85.6 Ų85.655.5 Ų55.556%0.55631%0.307SS*.G310 helixtrans-58.7-21.5-178.5-27.535.8000114.9E1098 L1104 C1105E1098-P1102 WeakPolarHBondContact O-CA 3.28Å; P1102-L1104 PolarHBondContact O-N 3.16Å; P1102-C1105 VanDerWaalsContact O-CB 3.31Å; P1102-C1105 WeakPolarHBondContact O-CB 3.43Å; P1102-C1105 PolarHBondContact O-N 3.04Å; P1102-C1105 PolarHBondContact O-SG 3.21Å; P1102-C1105 VanDerWaalsContact O-SG 3.4Å
1103N72.8Confident73.4Confident107.6 Ų107.657.2 Ų57.258%0.57532%0.315SS*.G310 helixtrans-63.4-23.6176.8-63.50.2000112.5Y1101 C1105 H1106Y1101-N1103 PolarHBondContact O-N 3.23Å; N1103-C1105 VanDerWaalsContact C-N 3.26Å; N1103-C1105 PolarHBondContact O-N 3.07Å; N1103-H1106 PolarHBondContact O-CD2 3.16Å; N1103-H1106 PolarHBondContact O-N 3.07Å
1104L71.8Confident71.8Confident6 Ų666.4 Ų66.43%0.03136%0.358CS..G310 helixtrans-70.4-21.4179.6-58.9-179.9000112.8A1078 E1079 F1082 Y1101 P1102 H1106 I1107A1078-L1104 HydrophobicContact CB-CD1 4.4Å; E1079-L1104 HydrophobicContact CB-CD2 4.44Å; E1079-L1104 HydrophobicContact CG-CD2 3.54Å; E1079-L1104 VanDerWaalsContact CG-CD2 3.45Å; F1082-L1104 HydrophobicContact CB-CD1 4.25Å; F1082-L1104 HydrophobicContact CG-CB 4.49Å; F1082-L1104 HydrophobicContact CG-CD1 4.41Å; Y1101-L1104 HydrophobicContact CD2-CD1 4.48Å; Y1101-L1104 WeakPolarHBondContact O-CB 3.31Å; Y1101-L1104 WeakPolarHBondContact O-CG 3.36Å; Y1101-L1104 PolarHBondContact O-N 3.03Å; Y1101-L1104 VanDerWaalsContact O-N 3.07Å; P1102-L1104 PolarHBondContact O-N 3.16Å; L1104-H1106 PolarHBondContact O-N 3.07Å; L1104-I1107 HydrophobicContact CD2-CD1 4.14Å; L1104-I1107 WeakPolarHBondContact O-CB 3.09Å; L1104-I1107 PolarHBondContact O-N 3.05Å
1105C63.2Low70.8Confident67.6 Ų67.667.4 Ų67.446%0.45736%0.36SS..G310 helixtrans-61.4-14.9178.5-60.90000114P1102 N1103 I1107P1102-C1105 VanDerWaalsContact O-CB 3.31Å; P1102-C1105 WeakPolarHBondContact O-CB 3.43Å; P1102-C1105 PolarHBondContact O-N 3.04Å; P1102-C1105 PolarHBondContact O-SG 3.21Å; P1102-C1105 VanDerWaalsContact O-SG 3.4Å; N1103-C1105 VanDerWaalsContact C-N 3.26Å; N1103-C1105 PolarHBondContact O-N 3.07Å; C1105-I1107 VanDerWaalsContact C-N 3.32Å
1106H59.5Low69.7Low79.2 Ų79.266.6 Ų66.637%0.36736%0.356SS..G310 helixtrans-80.1-16.5175.5-66.6-81.7000113.2R1026 K1029 Q1030 N1103 L1104 S1108R1026-H1106 PolarHBondContact O-CE1 2.86Å; R1026-H1106 VanDerWaalsContact O-CE1 3.29Å; R1026-H1106 PolarHBondContact O-ND1 3.18Å; K1029-H1106 CarbonylContact C-O 3.58Å; K1029-H1106 WeakPolarHBondContact CA-O 3.26Å; Q1030-H1106 PolarHBondContact N-O 3.15Å; N1103-H1106 PolarHBondContact O-CD2 3.16Å; N1103-H1106 PolarHBondContact O-N 3.07Å; L1104-H1106 PolarHBondContact O-N 3.07Å; H1106-S1108 PolarHBondContact O-N 3.1Å
1107I64.5Low68.6Low34.6 Ų34.669.9 Ų69.918%0.17738%0.379CS..EExtended strand (participates in β ladder)trans-86.5114.5-179.7-56.5173.5000108.8V1032 F1082 L1104 C1105V1032-I1107 HydrophobicContact CG2-CG2 3.98Å; F1082-I1107 HydrophobicContact CE1-CB 4.05Å; F1082-I1107 HydrophobicContact CE1-CG2 4.19Å; L1104-I1107 HydrophobicContact CD2-CD1 4.14Å; L1104-I1107 WeakPolarHBondContact O-CB 3.09Å; L1104-I1107 PolarHBondContact O-N 3.05Å; C1105-I1107 VanDerWaalsContact C-N 3.32Å
1108S61.2Low67.5Low33 Ų3379.2 Ų79.223%0.23142%0.419CS..EExtended strand (participates in β ladder)trans-112.3110.1174.430.70000110.3K1029 Q1030 T1031 V1032 H1106K1029-S1108 PolarHBondContact NZ-OG 3.34Å; K1029-S1108 VanDerWaalsContact NZ-OG 3.12Å; Q1030-S1108 PolarHBondContact O-N 3.1Å; Q1030-S1108 PolarHBondContact O-OG 3.02Å; T1031-S1108 CarbonylContact C-O 3.54Å; T1031-S1108 VanDerWaalsContact CA-O 3.32Å; T1031-S1108 WeakPolarHBondContact CA-O 3.28Å; T1031-S1108 WeakPolarHBondContact CG2-OG 3.41Å; V1032-S1108 PolarHBondContact N-O 3.17Å; H1106-S1108 PolarHBondContact O-N 3.1Å
1109L64.1Low66.6Low38.6 Ų38.683.4 Ų83.420%0.20243%0.434CS..EExtended strand (participates in β ladder)trans-79.6125.8176.2-148.9103.6000110.1V1032 L1034 I1083 I1087 T1111V1032-L1109 HydrophobicContact CB-CD1 4.15Å; V1032-L1109 HydrophobicContact CB-CD2 3.99Å; V1032-L1109 HydrophobicContact CB-CG 4.3Å; V1032-L1109 HydrophobicContact CG1-CD1 4.12Å; V1032-L1109 HydrophobicContact CG1-CD2 3.8Å; V1032-L1109 HydrophobicContact CG2-CD1 4.24Å; V1032-L1109 WeakPolarHBondContact O-CA 3.32Å; L1034-L1109 HydrophobicContact CB-CD2 4.17Å; L1034-L1109 HydrophobicContact CD1-CD2 4.05Å; L1034-L1109 HydrophobicContact CD2-CD2 4.44Å; I1083-L1109 HydrophobicContact CB-CD1 4.33Å; I1083-L1109 HydrophobicContact CG1-CD1 4.28Å; I1083-L1109 HydrophobicContact CG2-CD1 4.14Å; I1087-L1109 HydrophobicContact CB-CD2 4.5Å; I1087-L1109 HydrophobicContact CG1-CD2 3.75Å; L1109-T1111 HydrophobicContact CD2-CG2 3.84Å; L1109-T1111 HydrophobicContact CG-CG2 4.25Å
1110V59.4Low66.2Low51.2 Ų51.279.1 Ų79.131%0.3141%0.406SS..EExtended strand (participates in β ladder)trans-112.3110.2173.6-176.80000108.5T1031 V1032 Y1033 L1034 E1112T1031-V1110 HydrophobicContact CG2-CG2 4.33Å; V1032-V1110 PolarHBondContact O-N 3.12Å; Y1033-V1110 WeakPolarHBondContact CA-O 3.42Å; Y1033-V1110 HydrophobicContact CD1-CB 3.96Å; Y1033-V1110 HydrophobicContact CD1-CG1 4.05Å; Y1033-V1110 HydrophobicContact CE1-CB 3.95Å; Y1033-V1110 HydrophobicContact CE1-CG1 3.82Å; Y1033-V1110 HydrophobicContact CE1-CG2 4.33Å; Y1033-V1110 HydrophobicContact CG-CB 4.44Å; L1034-V1110 PolarHBondContact N-O 3.21Å; L1034-V1110 VanDerWaalsContact N-O 3.15Å; V1110-E1112 HydrophobicContact CG1-CG 4.34Å
1111T59.3Low66.2Low77.2 Ų77.279.6 Ų79.647%0.47441%0.411SS..EExtended strand (participates in β ladder)trans-97.4110.2176.446.80000110.2L1034 L1109 V1113L1034-T1111 HydrophobicContact CB-CG2 4.23Å; L1034-T1111 HydrophobicContact CD2-CG2 4.03Å; L1034-T1111 HydrophobicContact CG-CG2 4.45Å; L1109-T1111 HydrophobicContact CD2-CG2 3.84Å; L1109-T1111 HydrophobicContact CG-CG2 4.25Å; T1111-V1113 VanDerWaalsContact C-N 3.32Å
1112E52.8Low66.1Low149.6 Ų149.682.7 Ų82.770%0.69942%0.423SS*.  trans-88.4-2.1177.8-64.5-172.2165.400113.3Y1033 L1034 V1110Y1033-E1112 HydrophobicContact CD1-CG 4.22Å; L1034-E1112 PolarHBondContact O-N 2.97Å; V1110-E1112 HydrophobicContact CG1-CG 4.34Å
1113V55.3Low65.9Low61.2 Ų61.279.4 Ų79.437%0.37140%0.401SS..SBendtrans-122.7130.1-172.7-1730000111.6V1037 T1111 F1115V1037-V1113 HydrophobicContact CG2-CB 4.48Å; V1037-V1113 HydrophobicContact CG2-CG1 4.13Å; T1111-V1113 VanDerWaalsContact C-N 3.32Å; V1113-F1115 PolarHBondContact O-N 3.24Å; V1113-F1115 VanDerWaalsContact O-N 3.1Å
1114E55.3Low65.8Low193.8 Ų193.880.9 Ų80.991%0.90641%0.409SS*.  trans-67.3106.9169.3-72.1-169.5165.800110.3P1116E1114-P1116 WeakPolarHBondContact O-CD 3.26Å
1115F64.9Low65.7Low40.4 Ų40.489.3 Ų89.318%0.17745%0.446CS..  trans-73.9134.4176.8159.4-87.5000110.9F943 Y1036 L1047 I1087 L1088 V1113 T1117 L1120F943-F1115 HydrophobicContact CE1-CB 4.47Å; F943-F1115 HydrophobicContact CE1-CD1 4.22Å; F943-F1115 HydrophobicContact CE1-CE1 4.47Å; F943-F1115 AromaticContact CE1-CE2 3.69Å; F943-F1115 HydrophobicContact CE1-CE2 3.69Å; F943-F1115 HydrophobicContact CE1-CG 4.27Å; F943-F1115 AromaticContact CE1-CZ 3.39Å; F943-F1115 HydrophobicContact CE1-CZ 3.39Å; F943-F1115 HydrophobicContact CZ-CD1 4.26Å; F943-F1115 HydrophobicContact CZ-CD2 4.5Å; F943-F1115 HydrophobicContact CZ-CE1 4.14Å; F943-F1115 AromaticContact CZ-CE2 3.85Å; F943-F1115 HydrophobicContact CZ-CE2 3.93Å; F943-F1115 HydrophobicContact CZ-CG 4.25Å; F943-F1115 AromaticContact CZ-CZ 3.43Å; F943-F1115 HydrophobicContact CZ-CZ 3.93Å; F943-F1115 VanDerWaalsContact CZ-CZ 3.43Å; Y1036-F1115 HydrophobicContact CD2-CB 4.32Å; Y1036-F1115 HydrophobicContact CD2-CE2 4.44Å; Y1036-F1115 HydrophobicContact CD2-CZ 4.09Å; Y1036-F1115 HydrophobicContact CG-CB 4.49Å; L1047-F1115 HydrophobicContact CD1-CD2 4.44Å; L1047-F1115 HydrophobicContact CD1-CE1 3.96Å; L1047-F1115 HydrophobicContact CD1-CE2 4.35Å; L1047-F1115 HydrophobicContact CD1-CZ 4.12Å; L1047-F1115 HydrophobicContact CD2-CE1 4.03Å; L1047-F1115 HydrophobicContact CD2-CZ 4.35Å; L1047-F1115 HydrophobicContact CG-CE1 4.43Å; I1087-F1115 HydrophobicContact CG2-CD2 4.08Å; I1087-F1115 HydrophobicContact CG2-CE1 3.9Å; I1087-F1115 HydrophobicContact CG2-CE2 3.63Å; I1087-F1115 HydrophobicContact CG2-CZ 3.89Å; I1087-F1115 VanDerWaalsContact O-CZ 3.29Å; I1087-F1115 WeakPolarHBondContact O-CZ 3.22Å; L1088-F1115 HydrophobicContact CD2-CZ 4.38Å; V1113-F1115 PolarHBondContact O-N 3.24Å; V1113-F1115 VanDerWaalsContact O-N 3.1Å; F1115-T1117 VanDerWaalsContact C-N 3.3Å; F1115-T1117 HydrophobicContact CD1-CG2 3.98Å; F1115-T1117 HydrophobicContact CD2-CG2 4.38Å; F1115-T1117 HydrophobicContact CE2-CG2 4.14Å; F1115-T1117 HydrophobicContact CZ-CG2 4.46Å; F1115-T1117 PolarHBondContact O-N 3.04Å; F1115-L1120 HydrophobicContact CE1-CD1 3.72Å; F1115-L1120 HydrophobicContact CE1-CD2 4.12Å; F1115-L1120 HydrophobicContact CE1-CG 4.02Å; F1115-L1120 HydrophobicContact CE2-CD1 4.34Å; F1115-L1120 HydrophobicContact CZ-CD1 4.35Å; F1115-L1120 HydrophobicContact CZ-CD2 4.24Å
1116P63.4Low66.1Low52 Ų5287.3 Ų87.334%0.33843%0.43SS..  trans-76.781.8-175.131.1-35.8000111.6E1114 K1118 Y1119E1114-P1116 WeakPolarHBondContact O-CD 3.26Å; P1116-K1118 PolarHBondContact O-N 3.08Å; P1116-Y1119 HydrophobicContact CB-CD2 3.76Å; P1116-Y1119 HydrophobicContact CB-CE2 3.86Å; P1116-Y1119 HydrophobicContact CG-CD2 4Å; P1116-Y1119 HydrophobicContact CG-CE2 3.77Å; P1116-Y1119 WeakPolarHBondContact O-CD2 3.4Å; P1116-Y1119 PolarHBondContact O-N 2.98Å; P1116-Y1119 VanDerWaalsContact O-N 3.16Å
1117T66Low66.8Low93.2 Ų93.286.2 Ų86.257%0.57243%0.431SS*.G310 helixtrans-54.8-20.3179.653.20000114.5F1115 Y1119 L1120F1115-T1117 VanDerWaalsContact C-N 3.3Å; F1115-T1117 HydrophobicContact CD1-CG2 3.98Å; F1115-T1117 HydrophobicContact CD2-CG2 4.38Å; F1115-T1117 HydrophobicContact CE2-CG2 4.14Å; F1115-T1117 HydrophobicContact CZ-CG2 4.46Å; F1115-T1117 PolarHBondContact O-N 3.04Å; T1117-Y1119 VanDerWaalsContact C-N 3.26Å; T1117-Y1119 PolarHBondContact O-N 3Å; T1117-Y1119 VanDerWaalsContact O-N 3.15Å; T1117-L1120 HydrophobicContact CG2-CD1 4.43Å; T1117-L1120 WeakPolarHBondContact O-CB 3.37Å; T1117-L1120 WeakPolarHBondContact O-CG 3.25Å; T1117-L1120 PolarHBondContact O-N 3.15Å; T1117-L1120 VanDerWaalsContact O-N 3.14Å
1118K65.4Low67.4Low196.6 Ų196.685.6 Ų85.686%0.85543%0.427SS*.G310 helixtrans-61.6-20178.5-64.2178.6-177.51720114.4P1116P1116-K1118 PolarHBondContact O-N 3.08Å
1119Y69.7Low68.1Low149.2 Ų149.290.2 Ų90.259%0.58545%0.45SS*.G310 helixtrans-96-0.9-179.9-59.2-71.3000113.9S1048 P1116 T1117 N1121S1048-Y1119 VanDerWaalsContact CA-O 3.26Å; S1048-Y1119 WeakPolarHBondContact CA-O 3.35Å; S1048-Y1119 VanDerWaalsContact CB-O 3.27Å; S1048-Y1119 WeakPolarHBondContact CB-O 3.38Å; P1116-Y1119 HydrophobicContact CB-CD2 3.76Å; P1116-Y1119 HydrophobicContact CB-CE2 3.86Å; P1116-Y1119 HydrophobicContact CG-CD2 4Å; P1116-Y1119 HydrophobicContact CG-CE2 3.77Å; P1116-Y1119 WeakPolarHBondContact O-CD2 3.4Å; P1116-Y1119 PolarHBondContact O-N 2.98Å; P1116-Y1119 VanDerWaalsContact O-N 3.16Å; T1117-Y1119 VanDerWaalsContact C-N 3.26Å; T1117-Y1119 PolarHBondContact O-N 3Å; T1117-Y1119 VanDerWaalsContact O-N 3.15Å; Y1119-N1121 PolarHBondContact O-N 3.22Å
1120L77.8Confident68.9Low19.4 Ų19.491.9 Ų91.910%0.10246%0.458CS..  trans-80.6120.8-178.6-63-179000111.8L1047 L1050 P1051 L1088 F1115 T1117 W1122L1047-L1120 VanDerWaalsContact O-CD2 3.27Å; L1047-L1120 WeakPolarHBondContact O-CD2 3.31Å; L1050-L1120 HydrophobicContact CB-CD2 4.5Å; P1051-L1120 HydrophobicContact CG-CB 4.4Å; P1051-L1120 HydrophobicContact CG-CD1 4.24Å; P1051-L1120 HydrophobicContact CG-CD2 4.42Å; L1088-L1120 HydrophobicContact CD2-CD1 3.94Å; L1088-L1120 HydrophobicContact CD2-CD2 4.39Å; F1115-L1120 HydrophobicContact CE1-CD1 3.72Å; F1115-L1120 HydrophobicContact CE1-CD2 4.12Å; F1115-L1120 HydrophobicContact CE1-CG 4.02Å; F1115-L1120 HydrophobicContact CE2-CD1 4.34Å; F1115-L1120 HydrophobicContact CZ-CD1 4.35Å; F1115-L1120 HydrophobicContact CZ-CD2 4.24Å; T1117-L1120 HydrophobicContact CG2-CD1 4.43Å; T1117-L1120 WeakPolarHBondContact O-CB 3.37Å; T1117-L1120 WeakPolarHBondContact O-CG 3.25Å; T1117-L1120 PolarHBondContact O-N 3.15Å; T1117-L1120 VanDerWaalsContact O-N 3.14Å; L1120-W1122 HydrophobicContact CD1-CZ2 4.07Å; L1120-W1122 VanDerWaalsContact O-CD1 3.3Å; L1120-W1122 PolarHBondContact O-N 3.16Å; L1120-W1122 VanDerWaalsContact O-N 3.15Å
1121N81.1Confident70.2Confident87.6 Ų87.690 Ų9047%0.46845%0.448SS..  trans-86.496.1171.5-65.6-47.7000109.7S1048 Y1119S1048-N1121 WeakPolarHBondContact CB-ND2 3.44Å; S1048-N1121 VanDerWaalsContact O-CB 3.28Å; S1048-N1121 WeakPolarHBondContact O-CB 3.29Å; S1048-N1121 PolarHBondContact O-N 3.26Å; S1048-N1121 PolarHBondContact O-ND2 3.25Å; S1048-N1121 PolarHBondContact OG-ND2 3.27Å; Y1119-N1121 PolarHBondContact O-N 3.22Å
1122W81.1Confident71.5Confident114 Ų11487.4 Ų87.443%0.43243%0.432SS..PPolyproline II helixtrans-73.2132.5172.9-66.390.9000110.6P1051 L1090 L1120 F1128P1051-W1122 HydrophobicContact CB-CD2 4.25Å; P1051-W1122 HydrophobicContact CB-CE3 3.75Å; P1051-W1122 HydrophobicContact CB-CH2 4.35Å; P1051-W1122 HydrophobicContact CB-CZ3 3.84Å; P1051-W1122 HydrophobicContact CG-CD2 4.1Å; P1051-W1122 HydrophobicContact CG-CE3 4.06Å; P1051-W1122 HydrophobicContact CG-CH2 4.21Å; P1051-W1122 HydrophobicContact CG-CZ2 4.25Å; P1051-W1122 HydrophobicContact CG-CZ3 4.12Å; L1090-W1122 HydrophobicContact CD1-CH2 4.41Å; L1090-W1122 HydrophobicContact CD1-CZ3 4.38Å; L1090-W1122 HydrophobicContact CD2-CH2 4.18Å; L1090-W1122 HydrophobicContact CD2-CZ3 4.39Å; L1090-W1122 HydrophobicContact CG-CH2 4.46Å; L1120-W1122 HydrophobicContact CD1-CZ2 4.07Å; L1120-W1122 VanDerWaalsContact O-CD1 3.3Å; L1120-W1122 PolarHBondContact O-N 3.16Å; L1120-W1122 VanDerWaalsContact O-N 3.15Å; W1122-F1128 AromaticContact CE3-CD2 3.9Å; W1122-F1128 HydrophobicContact CE3-CD2 3.9Å; W1122-F1128 AromaticContact CE3-CE2 3.79Å; W1122-F1128 HydrophobicContact CE3-CE2 3.79Å; W1122-F1128 HydrophobicContact CE3-CG 4.4Å; W1122-F1128 HydrophobicContact CE3-CZ 4.19Å; W1122-F1128 HydrophobicContact CZ3-CD1 4.23Å; W1122-F1128 AromaticContact CZ3-CD2 3.95Å; W1122-F1128 HydrophobicContact CZ3-CD2 4.01Å; W1122-F1128 HydrophobicContact CZ3-CE1 4.38Å; W1122-F1128 HydrophobicContact CZ3-CE2 4.19Å; W1122-F1128 AromaticContact CZ3-CG 3.97Å; W1122-F1128 HydrophobicContact CZ3-CG 4.04Å; W1122-F1128 HydrophobicContact CZ3-CZ 4.36Å
1123P76.2Confident73.2Confident15.4 Ų15.480.6 Ų80.610%0.140%0.401CS..PPolyproline II helixtrans-75.7132.1-176.129.6-35.1000112.5K1125 I1126 F1128 W1209P1123-K1125 PolarHBondContact O-N 3.36Å; P1123-I1126 HydrophobicContact CB-CD1 3.99Å; P1123-I1126 HydrophobicContact CG-CB 4.41Å; P1123-I1126 HydrophobicContact CG-CD1 3.88Å; P1123-I1126 HydrophobicContact CG-CG1 4.5Å; P1123-F1128 HydrophobicContact CG-CE2 3.77Å; P1123-F1128 HydrophobicContact CG-CZ 3.58Å; P1123-W1209 HydrophobicContact CB-CH2 4.32Å; P1123-W1209 HydrophobicContact CB-CZ2 3.48Å; P1123-W1209 VanDerWaalsContact CB-CZ2 3.47Å; P1123-W1209 HydrophobicContact CG-CZ2 4.37Å
1124D70.1Confident74.7Confident138.4 Ų138.477.8 Ų77.874%0.7438%0.384SS*.THydrogen-bonded Turntrans-57.1136.6-177.2-71.1-37.7000113.4I1126D1124-I1126 VanDerWaalsContact C-N 3.28Å; D1124-I1126 PolarHBondContact O-N 3.01Å
1125K68.3Low76.2Confident183.4 Ų183.473.2 Ų73.280%0.79737%0.365SS*.THydrogen-bonded Turntrans66.710174-54.4-175177-169.30116.8P1123 F1207P1123-K1125 PolarHBondContact O-N 3.36Å; K1125-F1207 HydrophobicContact CB-CE1 4.38Å; K1125-F1207 HydrophobicContact CB-CE2 4.33Å; K1125-F1207 HydrophobicContact CB-CZ 3.77Å; K1125-F1207 HydrophobicContact CD-CE2 4.18Å; K1125-F1207 HydrophobicContact CD-CZ 4.2Å
1126I72.2Confident77.3Confident26.2 Ų26.274 Ų7413%0.13437%0.373CS..  trans-95.5124.3171.8-63.4171.6000109.1F1055 P1123 D1124 F1128 F1207 W1209F1055-I1126 HydrophobicContact CD1-CD1 3.85Å; F1055-I1126 HydrophobicContact CD2-CD1 4.3Å; F1055-I1126 HydrophobicContact CD2-CG2 3.98Å; F1055-I1126 HydrophobicContact CE1-CD1 3.49Å; F1055-I1126 VanDerWaalsContact CE1-CD1 3.43Å; F1055-I1126 HydrophobicContact CE1-CG1 4.44Å; F1055-I1126 HydrophobicContact CE2-CD1 4.09Å; F1055-I1126 HydrophobicContact CE2-CG1 4.35Å; F1055-I1126 HydrophobicContact CE2-CG2 3.68Å; F1055-I1126 HydrophobicContact CG-CD1 4.28Å; F1055-I1126 HydrophobicContact CZ-CD1 3.62Å; F1055-I1126 VanDerWaalsContact CZ-CD1 3.43Å; F1055-I1126 HydrophobicContact CZ-CG1 4.25Å; F1055-I1126 HydrophobicContact CZ-CG2 4.2Å; P1123-I1126 HydrophobicContact CB-CD1 3.99Å; P1123-I1126 HydrophobicContact CG-CB 4.41Å; P1123-I1126 HydrophobicContact CG-CD1 3.88Å; P1123-I1126 HydrophobicContact CG-CG1 4.5Å; D1124-I1126 VanDerWaalsContact C-N 3.28Å; D1124-I1126 PolarHBondContact O-N 3.01Å; I1126-F1128 HydrophobicContact CB-CE2 4.07Å; I1126-F1128 HydrophobicContact CB-CZ 4.46Å; I1126-F1128 HydrophobicContact CG2-CD2 4.18Å; I1126-F1128 HydrophobicContact CG2-CE1 4.44Å; I1126-F1128 HydrophobicContact CG2-CE2 3.79Å; I1126-F1128 HydrophobicContact CG2-CZ 4Å; I1126-F1128 WeakPolarHBondContact O-CD2 3.44Å; I1126-F1207 HydrophobicContact CG1-CE1 4.38Å; I1126-W1209 HydrophobicContact CD1-CD2 3.93Å; I1126-W1209 HydrophobicContact CD1-CE3 4.28Å; I1126-W1209 HydrophobicContact CD1-CG 4.1Å; I1126-W1209 HydrophobicContact CD1-CH2 4.45Å; I1126-W1209 HydrophobicContact CD1-CZ2 4.2Å
1127S73.5Confident78.5Confident55.6 Ų55.672.2 Ų72.239%0.38936%0.36SS..  trans-82.3126.5168106.50000109.3D1129S1127-D1129 VanDerWaalsContact C-N 3.33Å; S1127-D1129 WeakPolarHBondContact CB-OD2 3.23Å; S1127-D1129 WeakPolarHBondContact OG-CB 3.46Å; S1127-D1129 PolarHBondContact OG-N 2.84Å; S1127-D1129 PolarHBondContact OG-OD2 2.96Å
1128F78.3Confident79.5Confident21.4 Ų21.468 Ų689%0.09433%0.334CS..  trans-952.1174.5-71.7-93000112.5P1051 F1055 L1090 Y1093 W1122 P1123 I1126 I1130P1051-F1128 HydrophobicContact CB-CZ 4.44Å; F1055-F1128 HydrophobicContact CB-CE1 4.34Å; F1055-F1128 HydrophobicContact CB-CZ 4.47Å; F1055-F1128 HydrophobicContact CD2-CE1 4.46Å; L1090-F1128 HydrophobicContact CD1-CD1 4.06Å; L1090-F1128 HydrophobicContact CD2-CB 4.06Å; Y1093-F1128 HydrophobicContact CE2-CB 4.36Å; Y1093-F1128 HydrophobicContact CE2-CD1 4.05Å; Y1093-F1128 WeakPolarHBondContact CE2-O 3.39Å; W1122-F1128 AromaticContact CE3-CD2 3.9Å; W1122-F1128 HydrophobicContact CE3-CD2 3.9Å; W1122-F1128 AromaticContact CE3-CE2 3.79Å; W1122-F1128 HydrophobicContact CE3-CE2 3.79Å; W1122-F1128 HydrophobicContact CE3-CG 4.4Å; W1122-F1128 HydrophobicContact CE3-CZ 4.19Å; W1122-F1128 HydrophobicContact CZ3-CD1 4.23Å; W1122-F1128 AromaticContact CZ3-CD2 3.95Å; W1122-F1128 HydrophobicContact CZ3-CD2 4.01Å; W1122-F1128 HydrophobicContact CZ3-CE1 4.38Å; W1122-F1128 HydrophobicContact CZ3-CE2 4.19Å; W1122-F1128 AromaticContact CZ3-CG 3.97Å; W1122-F1128 HydrophobicContact CZ3-CG 4.04Å; W1122-F1128 HydrophobicContact CZ3-CZ 4.36Å; P1123-F1128 HydrophobicContact CG-CE2 3.77Å; P1123-F1128 HydrophobicContact CG-CZ 3.58Å; I1126-F1128 HydrophobicContact CB-CE2 4.07Å; I1126-F1128 HydrophobicContact CB-CZ 4.46Å; I1126-F1128 HydrophobicContact CG2-CD2 4.18Å; I1126-F1128 HydrophobicContact CG2-CE1 4.44Å; I1126-F1128 HydrophobicContact CG2-CE2 3.79Å; I1126-F1128 HydrophobicContact CG2-CZ 4Å; I1126-F1128 WeakPolarHBondContact O-CD2 3.44Å; F1128-I1130 VanDerWaalsContact C-N 3.27Å; F1128-I1130 PolarHBondContact O-N 3.09Å
1129D75.7Confident80.5Confident130.2 Ų130.261.5 Ų61.570%0.69631%0.311SS*.SBendtrans-72.4-17.9-178.1-47.4-55000113A1092 S1127A1092-D1129 WeakPolarHBondContact CB-O 3.32Å; S1127-D1129 VanDerWaalsContact C-N 3.33Å; S1127-D1129 WeakPolarHBondContact CB-OD2 3.23Å; S1127-D1129 WeakPolarHBondContact OG-CB 3.46Å; S1127-D1129 PolarHBondContact OG-N 2.84Å; S1127-D1129 PolarHBondContact OG-OD2 2.96Å
1130I81.9Confident81.2Confident74.8 Ų74.859.7 Ų59.738%0.38430%0.303SS..SBendtrans-140.7126.1179.9-57179.8000108.7F1128 P1132F1128-I1130 VanDerWaalsContact C-N 3.27Å; F1128-I1130 PolarHBondContact O-N 3.09Å; I1130-P1132 WeakPolarHBondContact O-CD 3.38Å
1131A85.4Confident81.5Confident11.2 Ų11.259.3 Ų59.39%0.09330%0.3CS..  trans-67.3123.6172.300000110.7Y1093 F1096 C1133Y1093-A1131 HydrophobicContact CD1-CB 4.08Å; Y1093-A1131 HydrophobicContact CD2-CB 4.44Å; Y1093-A1131 HydrophobicContact CE1-CB 4.09Å; Y1093-A1131 HydrophobicContact CE2-CB 4.44Å; Y1093-A1131 HydrophobicContact CG-CB 4.34Å; F1096-A1131 HydrophobicContact CB-CB 3.86Å; F1096-A1131 HydrophobicContact CD1-CB 4.12Å; F1096-A1131 HydrophobicContact CD2-CB 4.1Å; F1096-A1131 HydrophobicContact CG-CB 3.75Å; A1131-C1133 PolarHBondContact O-N 3.08Å; A1131-C1133 VanDerWaalsContact O-N 3.12Å
1132P86.5Confident81.4Confident21.4 Ų21.458 Ų5814%0.13929%0.291CS..  trans-7785.4-173.730.5-36.5000113F1055 H1058 L1059 E1062 Y1093 I1130 P1158F1055-P1132 HydrophobicContact CE2-CG 4.35Å; H1058-P1132 VanDerWaalsContact CD2-CG 3.48Å; H1058-P1132 WeakPolarHBondContact CD2-CG 3.3Å; H1058-P1132 VanDerWaalsContact NE2-CD 3.31Å; H1058-P1132 WeakPolarHBondContact NE2-CD 3.37Å; H1058-P1132 PolarHBondContact NE2-O 2.98Å; L1059-P1132 HydrophobicContact CD2-CG 4.42Å; E1062-P1132 WeakPolarHBondContact CG-O 3.33Å; Y1093-P1132 VanDerWaalsContact OH-CD 3.31Å; Y1093-P1132 WeakPolarHBondContact OH-CD 3.33Å; I1130-P1132 WeakPolarHBondContact O-CD 3.38Å; P1132-P1158 HydrophobicContact CB-CG 3.61Å; P1132-P1158 VanDerWaalsContact CB-CG 3.47Å; P1132-P1158 HydrophobicContact CG-CG 3.9Å
1133C88.5Confident81.5Confident7.4 Ų7.457.9 Ų57.95%0.0530%0.295CS..  trans-91.1129.7174.5-1800000112.4E1062 F1096 A1131 L1135 T1136 W1137E1062-C1133 PolarHBondContact OE1-SG 3.33Å; E1062-C1133 VanDerWaalsContact OE2-CA 3.29Å; E1062-C1133 WeakPolarHBondContact OE2-CA 3.38Å; E1062-C1133 PolarHBondContact OE2-SG 3.15Å; E1062-C1133 VanDerWaalsContact OE2-SG 3.35Å; F1096-C1133 HydrophobicContact CE2-CB 3.69Å; F1096-C1133 HydrophobicContact CZ-CB 4.02Å; A1131-C1133 PolarHBondContact O-N 3.08Å; A1131-C1133 VanDerWaalsContact O-N 3.12Å; C1133-L1135 VanDerWaalsContact C-N 3.35Å; C1133-L1135 PolarHBondContact O-N 3.16Å; C1133-T1136 PolarHBondContact O-N 3.46Å; C1133-T1136 PolarHBondContact SG-OG1 2.99Å; C1133-T1136 VanDerWaalsContact SG-OG1 3.42Å; C1133-W1137 VanDerWaalsContact O-CB 3.29Å; C1133-W1137 WeakPolarHBondContact O-CB 3.36Å; C1133-W1137 PolarHBondContact O-N 3.14Å
1134L87.5Confident81.5Confident3 Ų359.2 Ų59.22%0.01631%0.305CS..Hα-helixtrans-62.9-42.8-179.9-179.369.4000111.5E1062 L1066 W1137 V1138 Y1157 A1167 L1170 A1171 L1312E1062-L1134 PolarHBondContact OE2-N 3.26Å; L1066-L1134 HydrophobicContact CD1-CD2 4.24Å; L1066-L1134 HydrophobicContact CD2-CD2 3.98Å; L1134-W1137 HydrophobicContact CD1-CE3 4.4Å; L1134-W1137 WeakPolarHBondContact O-CB 3.19Å; L1134-W1137 PolarHBondContact O-N 3.18Å; L1134-V1138 HydrophobicContact CD1-CG2 4.25Å; L1134-V1138 HydrophobicContact CG-CG2 4.31Å; L1134-V1138 WeakPolarHBondContact O-CB 3.4Å; L1134-V1138 VanDerWaalsContact O-CG2 3.3Å; L1134-V1138 WeakPolarHBondContact O-CG2 3.33Å; L1134-V1138 PolarHBondContact O-N 3.29Å; L1134-Y1157 HydrophobicContact CB-CE2 4.02Å; L1134-Y1157 HydrophobicContact CD1-CD2 4.35Å; L1134-Y1157 HydrophobicContact CD1-CE1 4.39Å; L1134-Y1157 HydrophobicContact CD1-CE2 4.1Å; L1134-A1167 HydrophobicContact CD2-CB 4.12Å; L1134-L1170 HydrophobicContact CD2-CB 4.36Å; L1134-L1170 HydrophobicContact CD2-CD1 4.34Å; L1134-A1171 HydrophobicContact CD1-CB 4.07Å; L1134-L1312 HydrophobicContact CD2-CD1 4.4Å
1135L86.7Confident81.4Confident96.4 Ų96.457 Ų5751%0.50529%0.293SS..Hα-helixtrans-65.7-44.4-176.6-159.377.8000111.4C1133 W1137 V1138 T1139 L1312C1133-L1135 VanDerWaalsContact C-N 3.35Å; C1133-L1135 PolarHBondContact O-N 3.16Å; L1135-W1137 VanDerWaalsContact C-N 3.32Å; L1135-W1137 PolarHBondContact O-N 3.09Å; L1135-V1138 PolarHBondContact O-N 3.04Å; L1135-T1139 WeakPolarHBondContact O-CG2 3.34Å; L1135-T1139 PolarHBondContact O-N 3.25Å; L1135-T1139 PolarHBondContact O-OG1 3.13Å; L1135-L1312 HydrophobicContact CD2-CD1 4.23Å; L1135-L1312 HydrophobicContact CD2-CD2 4.28Å; L1135-L1312 HydrophobicContact CD2-CG 4.18Å
1136T87.2Confident81.2Confident57.2 Ų57.256.7 Ų56.735%0.35129%0.291SS..Hα-helixtrans-65.2-34.7175.6-52.10000111.9C1133 T1139 R1140C1133-T1136 PolarHBondContact O-N 3.46Å; C1133-T1136 PolarHBondContact SG-OG1 2.99Å; C1133-T1136 VanDerWaalsContact SG-OG1 3.42Å; T1136-T1139 WeakPolarHBondContact CA-OG1 3.41Å; T1136-T1139 PolarHBondContact O-OG1 3.02Å; T1136-T1139 VanDerWaalsContact O-OG1 3.09Å; T1136-R1140 WeakPolarHBondContact O-CB 3.38Å; T1136-R1140 WeakPolarHBondContact O-CD 3.41Å; T1136-R1140 VanDerWaalsContact O-CG 3.26Å; T1136-R1140 WeakPolarHBondContact O-CG 3.38Å; T1136-R1140 PolarHBondContact O-N 2.98Å; T1136-R1140 VanDerWaalsContact O-N 3.1Å
1137W88.9Confident80.7Confident15 Ų1558.3 Ų58.36%0.05731%0.305CS..Hα-helixtrans-66.4-48172.7-177.290.7000111C1133 L1134 L1135 T1139 R1140 Q1141 N1155 Y1157 A1171 V1175 Q1205C1133-W1137 VanDerWaalsContact O-CB 3.29Å; C1133-W1137 WeakPolarHBondContact O-CB 3.36Å; C1133-W1137 PolarHBondContact O-N 3.14Å; L1134-W1137 HydrophobicContact CD1-CE3 4.4Å; L1134-W1137 WeakPolarHBondContact O-CB 3.19Å; L1134-W1137 PolarHBondContact O-N 3.18Å; L1135-W1137 VanDerWaalsContact C-N 3.32Å; L1135-W1137 PolarHBondContact O-N 3.09Å; W1137-T1139 PolarHBondContact O-N 3.19Å; W1137-R1140 PolarHBondContact O-N 3.05Å; W1137-Q1141 HydrophobicContact CD2-CG 3.93Å; W1137-Q1141 VanDerWaalsContact CE2-NE2 3.31Å; W1137-Q1141 HydrophobicContact CE3-CG 3.97Å; W1137-Q1141 HydrophobicContact CH2-CG 3.9Å; W1137-Q1141 HydrophobicContact CZ2-CG 3.88Å; W1137-Q1141 HydrophobicContact CZ3-CG 3.95Å; W1137-Q1141 VanDerWaalsContact O-CG 3.26Å; W1137-Q1141 WeakPolarHBondContact O-CG 3.41Å; W1137-Q1141 PolarHBondContact O-N 3.13Å; W1137-N1155 PolarHBondContact NE1-O 3.17Å; W1137-Y1157 HydrophobicContact CB-CD2 4.42Å; W1137-Y1157 HydrophobicContact CG-CD2 4.39Å; W1137-A1171 HydrophobicContact CE3-CB 4.43Å; W1137-A1171 HydrophobicContact CH2-CB 4.04Å; W1137-A1171 HydrophobicContact CZ3-CB 3.77Å; W1137-V1175 HydrophobicContact CH2-CG2 3.8Å; W1137-V1175 HydrophobicContact CZ2-CG2 4.43Å; W1137-Q1205 WeakPolarHBondContact CZ2-O 3.35Å
1138V86.7Confident79.5Confident4.2 Ų4.259.4 Ų59.43%0.02533%0.325CS..Hα-helixtrans-61.1-42178.5167.80000112.4L1134 L1135 Q1141 F1142 I1174L1134-V1138 HydrophobicContact CD1-CG2 4.25Å; L1134-V1138 HydrophobicContact CG-CG2 4.31Å; L1134-V1138 WeakPolarHBondContact O-CB 3.4Å; L1134-V1138 VanDerWaalsContact O-CG2 3.3Å; L1134-V1138 WeakPolarHBondContact O-CG2 3.33Å; L1134-V1138 PolarHBondContact O-N 3.29Å; L1135-V1138 PolarHBondContact O-N 3.04Å; V1138-Q1141 WeakPolarHBondContact O-CB 3.41Å; V1138-Q1141 PolarHBondContact O-N 3.04Å; V1138-F1142 HydrophobicContact CG1-CD2 3.9Å; V1138-F1142 HydrophobicContact CG1-CE2 3.4Å; V1138-F1142 VanDerWaalsContact CG1-CE2 3.47Å; V1138-F1142 HydrophobicContact CG1-CZ 4.2Å; V1138-F1142 VanDerWaalsContact O-CD2 3.26Å; V1138-F1142 WeakPolarHBondContact O-CD2 3.35Å; V1138-F1142 PolarHBondContact O-N 3.21Å; V1138-F1142 VanDerWaalsContact O-N 3.12Å; V1138-I1174 HydrophobicContact CB-CD1 4.22Å; V1138-I1174 HydrophobicContact CG1-CD1 3.73Å; V1138-I1174 HydrophobicContact CG1-CG1 4.33Å; V1138-I1174 HydrophobicContact CG2-CD1 3.4Å; V1138-I1174 VanDerWaalsContact CG2-CD1 3.44Å; V1138-I1174 HydrophobicContact CG2-CG1 4.22Å
1139T86.1Confident78.2Confident60.4 Ų60.461.7 Ų61.737%0.37136%0.355SS..Hα-helixtrans-65-44.4176.849.40000111.5L1135 T1136 W1137 Q1141 F1142 E1143L1135-T1139 WeakPolarHBondContact O-CG2 3.34Å; L1135-T1139 PolarHBondContact O-N 3.25Å; L1135-T1139 PolarHBondContact O-OG1 3.13Å; T1136-T1139 WeakPolarHBondContact CA-OG1 3.41Å; T1136-T1139 PolarHBondContact O-OG1 3.02Å; T1136-T1139 VanDerWaalsContact O-OG1 3.09Å; W1137-T1139 PolarHBondContact O-N 3.19Å; T1139-Q1141 VanDerWaalsContact C-N 3.31Å; T1139-Q1141 PolarHBondContact O-N 3.2Å; T1139-F1142 CarbonylContact O-C 3.38Å; T1139-F1142 PolarHBondContact O-N 3.23Å; T1139-F1142 VanDerWaalsContact O-N 3.09Å; T1139-E1143 WeakPolarHBondContact O-CG 3.37Å; T1139-E1143 PolarHBondContact O-N 3.04Å
1140R85Confident77Confident111.2 Ų111.260.4 Ų60.442%0.4235%0.352SS..Hα-helixtrans-61.1-36.8174.6-74.1174.3178.2169.60.9113T1136 W1137 F1142 E1143 S1144 I1154T1136-R1140 WeakPolarHBondContact O-CB 3.38Å; T1136-R1140 WeakPolarHBondContact O-CD 3.41Å; T1136-R1140 VanDerWaalsContact O-CG 3.26Å; T1136-R1140 WeakPolarHBondContact O-CG 3.38Å; T1136-R1140 PolarHBondContact O-N 2.98Å; T1136-R1140 VanDerWaalsContact O-N 3.1Å; W1137-R1140 PolarHBondContact O-N 3.05Å; R1140-F1142 VanDerWaalsContact C-N 3.3Å; R1140-F1142 PolarHBondContact O-N 3.1Å; R1140-E1143 PolarHBondContact O-N 3.2Å; R1140-S1144 WeakPolarHBondContact O-CB 3.39Å; R1140-S1144 PolarHBondContact O-N 3.23Å; R1140-S1144 PolarHBondContact O-OG 3.33Å; R1140-I1154 HydrophobicContact CB-CD1 4.34Å; R1140-I1154 WeakPolarHBondContact O-CD1 3.33Å
1141Q83.4Confident75.5Confident10.4 Ų10.466.6 Ų66.65%0.04938%0.376CS..Hα-helixtrans-63.8-36173.6-69.7-68.9-10.100112.1W1137 V1138 T1139 S1144 L1145 I1154 L1178W1137-Q1141 HydrophobicContact CD2-CG 3.93Å; W1137-Q1141 VanDerWaalsContact CE2-NE2 3.31Å; W1137-Q1141 HydrophobicContact CE3-CG 3.97Å; W1137-Q1141 HydrophobicContact CH2-CG 3.9Å; W1137-Q1141 HydrophobicContact CZ2-CG 3.88Å; W1137-Q1141 HydrophobicContact CZ3-CG 3.95Å; W1137-Q1141 VanDerWaalsContact O-CG 3.26Å; W1137-Q1141 WeakPolarHBondContact O-CG 3.41Å; W1137-Q1141 PolarHBondContact O-N 3.13Å; V1138-Q1141 WeakPolarHBondContact O-CB 3.41Å; V1138-Q1141 PolarHBondContact O-N 3.04Å; T1139-Q1141 VanDerWaalsContact C-N 3.31Å; T1139-Q1141 PolarHBondContact O-N 3.2Å; Q1141-S1144 PolarHBondContact O-N 2.9Å; Q1141-S1144 PolarHBondContact O-OG 2.97Å; Q1141-L1145 WeakPolarHBondContact O-CG 3.21Å; Q1141-L1145 PolarHBondContact O-N 3.09Å; Q1141-I1154 VanDerWaalsContact CD-CD1 3.47Å; Q1141-I1154 HydrophobicContact CG-CD1 4.15Å; Q1141-L1178 HydrophobicContact CB-CD1 4.22Å; Q1141-L1178 WeakPolarHBondContact O-CD1 3.36Å
1142F80.7Confident74.3Confident61.8 Ų61.871 Ų7127%0.27140%0.401SS..Hα-helixtrans-75.1-40.8173.1-66.3-47.6000112.4V1138 T1139 R1140 S1144 L1145 F1146 I1174 L1178 I1315V1138-F1142 HydrophobicContact CG1-CD2 3.9Å; V1138-F1142 HydrophobicContact CG1-CE2 3.4Å; V1138-F1142 VanDerWaalsContact CG1-CE2 3.47Å; V1138-F1142 HydrophobicContact CG1-CZ 4.2Å; V1138-F1142 VanDerWaalsContact O-CD2 3.26Å; V1138-F1142 WeakPolarHBondContact O-CD2 3.35Å; V1138-F1142 PolarHBondContact O-N 3.21Å; V1138-F1142 VanDerWaalsContact O-N 3.12Å; T1139-F1142 CarbonylContact O-C 3.38Å; T1139-F1142 PolarHBondContact O-N 3.23Å; T1139-F1142 VanDerWaalsContact O-N 3.09Å; R1140-F1142 VanDerWaalsContact C-N 3.3Å; R1140-F1142 PolarHBondContact O-N 3.1Å; F1142-S1144 VanDerWaalsContact C-N 3.29Å; F1142-S1144 PolarHBondContact O-N 3.2Å; F1142-L1145 HydrophobicContact CD1-CD1 4.13Å; F1142-L1145 WeakPolarHBondContact O-CB 3.24Å; F1142-L1145 PolarHBondContact O-N 3Å; F1142-L1145 VanDerWaalsContact O-N 3.14Å; F1142-F1146 HydrophobicContact CB-CE2 4.36Å; F1142-F1146 WeakPolarHBondContact O-CD2 3.33Å; F1142-F1146 WeakPolarHBondContact O-CE2 3.2Å; F1142-F1146 PolarHBondContact O-N 2.9Å; F1142-I1174 HydrophobicContact CE1-CG2 4.32Å; F1142-I1174 HydrophobicContact CZ-CD1 4.01Å; F1142-I1174 HydrophobicContact CZ-CG2 4.31Å; F1142-L1178 HydrophobicContact CE1-CD2 4.43Å; F1142-I1315 HydrophobicContact CE2-CD1 4.24Å; F1142-I1315 HydrophobicContact CZ-CD1 4.45Å
1143E82.5Confident73.2Confident110.6 Ų110.678.6 Ų78.652%0.51743%0.432SS..Hα-helixtrans-60.4-36177.4-73.3166.9-177.800112.8T1139 R1140 L1145 F1146 S1147T1139-E1143 WeakPolarHBondContact O-CG 3.37Å; T1139-E1143 PolarHBondContact O-N 3.04Å; R1140-E1143 PolarHBondContact O-N 3.2Å; E1143-L1145 VanDerWaalsContact C-N 3.29Å; E1143-L1145 PolarHBondContact O-N 3.17Å; E1143-F1146 PolarHBondContact O-N 3.24Å; E1143-S1147 VanDerWaalsContact O-CB 3.3Å; E1143-S1147 WeakPolarHBondContact O-CB 3.35Å; E1143-S1147 PolarHBondContact O-N 3.07Å; E1143-S1147 VanDerWaalsContact O-N 3.12Å; E1143-S1147 PolarHBondContact O-OG 3.09Å
1144S76.1Confident72.4Confident44 Ų4479.7 Ų79.731%0.30844%0.437SS..Hα-helixtrans-62.7-31.6176.2109.60000113R1140 Q1141 F1142R1140-S1144 WeakPolarHBondContact O-CB 3.39Å; R1140-S1144 PolarHBondContact O-N 3.23Å; R1140-S1144 PolarHBondContact O-OG 3.33Å; Q1141-S1144 PolarHBondContact O-N 2.9Å; Q1141-S1144 PolarHBondContact O-OG 2.97Å; F1142-S1144 VanDerWaalsContact C-N 3.29Å; F1142-S1144 PolarHBondContact O-N 3.2Å
1145L67.7Low72Confident91.8 Ų91.883.4 Ų83.448%0.48146%0.457SS..Hα-helixtrans-72.9-35.9176.5-58.3164.4000112.2Q1141 F1142 E1143 S1147 L1178Q1141-L1145 WeakPolarHBondContact O-CG 3.21Å; Q1141-L1145 PolarHBondContact O-N 3.09Å; F1142-L1145 HydrophobicContact CD1-CD1 4.13Å; F1142-L1145 WeakPolarHBondContact O-CB 3.24Å; F1142-L1145 PolarHBondContact O-N 3Å; F1142-L1145 VanDerWaalsContact O-N 3.14Å; E1143-L1145 VanDerWaalsContact C-N 3.29Å; E1143-L1145 PolarHBondContact O-N 3.17Å; L1145-S1147 VanDerWaalsContact C-N 3.35Å; L1145-L1178 HydrophobicContact CD1-CD1 4.08Å; L1145-L1178 HydrophobicContact CD1-CD2 3.33Å; L1145-L1178 VanDerWaalsContact CD1-CD2 3.46Å; L1145-L1178 HydrophobicContact CD1-CG 4.33Å; L1145-L1178 HydrophobicContact CD2-CD1 4.36Å; L1145-L1178 HydrophobicContact CD2-CD2 4.2Å; L1145-L1178 HydrophobicContact CG-CD1 4.45Å; L1145-L1178 HydrophobicContact CG-CD2 4.27Å
1146F64.2Low71.8Confident176.4 Ų176.481.3 Ų81.377%0.77445%0.449SS*.Hα-helixtrans-82-22.2-179.6-63.3-65.1000112.7F1142 E1143 G1148F1142-F1146 HydrophobicContact CB-CE2 4.36Å; F1142-F1146 WeakPolarHBondContact O-CD2 3.33Å; F1142-F1146 WeakPolarHBondContact O-CE2 3.2Å; F1142-F1146 PolarHBondContact O-N 2.9Å; E1143-F1146 PolarHBondContact O-N 3.24Å; F1146-G1148 VanDerWaalsContact C-N 3.27Å; F1146-G1148 PolarHBondContact O-N 3.1Å
1147S62Low71.7Confident60.4 Ų60.478.7 Ų78.742%0.42243%0.433SS..SBendtrans-82.458.4-178.8-59.80000112.6E1143 L1145 G1149 T1150E1143-S1147 VanDerWaalsContact O-CB 3.3Å; E1143-S1147 WeakPolarHBondContact O-CB 3.35Å; E1143-S1147 PolarHBondContact O-N 3.07Å; E1143-S1147 VanDerWaalsContact O-N 3.12Å; E1143-S1147 PolarHBondContact O-OG 3.09Å; L1145-S1147 VanDerWaalsContact C-N 3.35Å; S1147-G1149 PolarHBondContact O-N 3.38Å; S1147-G1149 VanDerWaalsContact O-N 3.08Å; S1147-T1150 PolarHBondContact O-N 3.13Å; S1147-T1150 VanDerWaalsContact O-N 3.1Å
1148G48.4Very low71.7Confident77.6 Ų77.678.6 Ų78.680%0.843%0.434SS*.THydrogen-bonded Turntrans-33.686.9-176.800000115.8F1146F1146-G1148 VanDerWaalsContact C-N 3.27Å; F1146-G1148 PolarHBondContact O-N 3.1Å
1149G51.4Low71.6Confident70 Ų7078.8 Ų78.872%0.72244%0.435SS*.THydrogen-bonded Turntrans105-8.4167.600000116.8S1147 F1151S1147-G1149 PolarHBondContact O-N 3.38Å; S1147-G1149 VanDerWaalsContact O-N 3.08Å; G1149-F1151 PolarHBondContact O-N 3.4Å
1150T49.2Very low71.6Confident103.6 Ų103.675.9 Ų75.964%0.63642%0.417SS*.  trans-97.296.8176.5-10.60000110.4S1147 V1152S1147-T1150 PolarHBondContact O-N 3.13Å; S1147-T1150 VanDerWaalsContact O-N 3.1Å; T1150-V1152 VanDerWaalsContact C-N 3.33Å; T1150-V1152 PolarHBondContact O-N 3.01Å
1151F52Low71.3Confident205.4 Ų205.472.5 Ų72.590%0.90141%0.409SS*.  trans-64.889176.7-79.1-85.1000111.7G1149 K1153G1149-F1151 PolarHBondContact O-N 3.4Å; F1151-K1153 PolarHBondContact O-N 3.04Å
1152V59.3Low71.1Confident102 Ų10273.7 Ų73.762%0.61842%0.424SS*.  trans-72.3113163.8-179.10000107.2T1150 I1154T1150-V1152 VanDerWaalsContact C-N 3.33Å; T1150-V1152 PolarHBondContact O-N 3.01Å; V1152-I1154 PolarHBondContact O-N 3.07Å; V1152-I1154 VanDerWaalsContact O-N 3.09Å
1153K62.9Low71.1Confident182 Ų18271.4 Ų71.479%0.79141%0.414SS*.  trans-66.8108.1175-135.7175.8-179.2174.90109F1151 D1204F1151-K1153 PolarHBondContact O-N 3.04Å; K1153-D1204 IonicContact NZ-OD1 2.69Å; K1153-D1204 PolarHBondContact NZ-OD1 2.9Å; K1153-D1204 IonicContact NZ-OD2 2.74Å
1154I72.9Confident71.4Confident29.8 Ų29.866.1 Ų66.115%0.15339%0.39CS..PPolyproline II helixtrans-79135.7176.6-57.8172.3000108.3R1140 Q1141 V1152R1140-I1154 HydrophobicContact CB-CD1 4.34Å; R1140-I1154 WeakPolarHBondContact O-CD1 3.33Å; Q1141-I1154 VanDerWaalsContact CD-CD1 3.47Å; Q1141-I1154 HydrophobicContact CG-CD1 4.15Å; V1152-I1154 PolarHBondContact O-N 3.07Å; V1152-I1154 VanDerWaalsContact O-N 3.09Å
1155N77.7Confident71.8Confident81.6 Ų81.665.3 Ų65.344%0.43638%0.382SS..PPolyproline II helixtrans-66.5136.2173.7-73.40.1000110.1W1137W1137-N1155 PolarHBondContact NE1-O 3.17Å
1156P82.6Confident72.6Confident51 Ų5161.1 Ų61.133%0.33136%0.36SS..PPolyproline II helixtrans-63.9141.5-179.125.2-33.8000111.3D1204 Q1205 F1207P1156-D1204 WeakPolarHBondContact CB-O 3.32Å; P1156-Q1205 CarbonylContact C-O 3.55Å; P1156-Q1205 VanDerWaalsContact CA-O 3.28Å; P1156-Q1205 WeakPolarHBondContact CA-O 3.4Å; P1156-F1207 HydrophobicContact CB-CB 3.81Å; P1156-F1207 HydrophobicContact CG-CB 3.87Å
1157Y87Confident73.8Confident3 Ų352.7 Ų52.71%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-71.6126176.4-173.7-101.9000109.9L1134 W1137 N1164 A1167 T1168 A1171 Q1205 I1206 F1207L1134-Y1157 HydrophobicContact CB-CE2 4.02Å; L1134-Y1157 HydrophobicContact CD1-CD2 4.35Å; L1134-Y1157 HydrophobicContact CD1-CE1 4.39Å; L1134-Y1157 HydrophobicContact CD1-CE2 4.1Å; W1137-Y1157 HydrophobicContact CB-CD2 4.42Å; W1137-Y1157 HydrophobicContact CG-CD2 4.39Å; Y1157-N1164 WeakPolarHBondContact CE1-ND2 3.4Å; Y1157-N1164 PolarHBondContact OH-ND2 3.25Å; Y1157-A1167 HydrophobicContact CE1-CB 4.06Å; Y1157-A1167 VanDerWaalsContact OH-CB 3.29Å; Y1157-A1167 WeakPolarHBondContact OH-CB 3.27Å; Y1157-T1168 HydrophobicContact CD1-CG2 3.97Å; Y1157-T1168 HydrophobicContact CE1-CG2 3.88Å; Y1157-A1171 HydrophobicContact CD1-CB 4.42Å; Y1157-Q1205 PolarHBondContact N-O 3.47Å; Y1157-I1206 CarbonylContact O-C 3.49Å; Y1157-I1206 WeakPolarHBondContact O-CA 3.44Å; Y1157-F1207 PolarHBondContact O-N 3.08Å
1158P87.2Confident75Confident12.4 Ų12.449.9 Ų49.98%0.08130%0.303CS..EExtended strand (participates in β ladder)trans-72135.9-178.127.5-34000111.9F1055 L1059 P1132 N1164 F1207F1055-P1158 HydrophobicContact CE2-CB 4.41Å; F1055-P1158 HydrophobicContact CE2-CG 4.4Å; F1055-P1158 HydrophobicContact CZ-CB 3.72Å; F1055-P1158 HydrophobicContact CZ-CG 4.12Å; L1059-P1158 HydrophobicContact CD2-CB 4.47Å; L1059-P1158 HydrophobicContact CD2-CG 3.86Å; P1132-P1158 HydrophobicContact CB-CG 3.61Å; P1132-P1158 VanDerWaalsContact CB-CG 3.47Å; P1132-P1158 HydrophobicContact CG-CG 3.9Å; P1158-N1164 PolarHBondContact O-ND2 3.13Å; P1158-F1207 CarbonylContact C-O 3.47Å; P1158-F1207 WeakPolarHBondContact CA-O 3.42Å
1159Y86.3Confident76.8Confident8.6 Ų8.646.3 Ų46.33%0.03427%0.266CS..EExtended strand (participates in β ladder)trans-121.1129.6176.4168.2-128.4000111.7T1161 N1164 D1165 T1168 F1207 K1208 W1209 Y1247Y1159-T1161 HydrophobicContact CE1-CG2 4Å; Y1159-T1161 WeakPolarHBondContact OH-CA 3.5Å; Y1159-T1161 VanDerWaalsContact OH-CG2 3.25Å; Y1159-T1161 WeakPolarHBondContact OH-CG2 3.25Å; Y1159-N1164 WeakPolarHBondContact CD2-OD1 3.39Å; Y1159-D1165 VanDerWaalsContact CE2-OD1 3.28Å; Y1159-D1165 WeakPolarHBondContact CE2-OD1 3.47Å; Y1159-D1165 PolarHBondContact OH-OD1 2.85Å; Y1159-T1168 HydrophobicContact CD1-CG2 4.32Å; Y1159-T1168 HydrophobicContact CD2-CG2 3.63Å; Y1159-T1168 WeakPolarHBondContact CD2-OG1 3.32Å; Y1159-T1168 HydrophobicContact CE2-CG2 4.3Å; Y1159-T1168 HydrophobicContact CG-CG2 3.73Å; Y1159-F1207 PolarHBondContact N-O 3.13Å; Y1159-K1208 HydrophobicContact CD1-CB 4.11Å; Y1159-K1208 HydrophobicContact CD1-CD 4.36Å; Y1159-K1208 HydrophobicContact CD1-CG 3.96Å; Y1159-K1208 HydrophobicContact CE1-CD 4.26Å; Y1159-K1208 HydrophobicContact CE1-CG 4.31Å; Y1159-W1209 PolarHBondContact O-N 3.29Å; Y1159-Y1247 HydrophobicContact CD2-CE2 4.35Å; Y1159-Y1247 AromaticContact CE1-CD2 3.89Å; Y1159-Y1247 HydrophobicContact CE1-CD2 3.99Å; Y1159-Y1247 HydrophobicContact CE1-CE2 4.27Å; Y1159-Y1247 HydrophobicContact CE2-CD2 4.27Å; Y1159-Y1247 AromaticContact CE2-CE2 3.78Å; Y1159-Y1247 HydrophobicContact CE2-CE2 3.84Å; Y1159-Y1247 AromaticContact CZ-CD2 3.75Å; Y1159-Y1247 AromaticContact CZ-CE2 3.56Å; Y1159-Y1247 VanDerWaalsContact CZ-CE2 3.43Å; Y1159-Y1247 VanDerWaalsContact OH-CE2 3.29Å; Y1159-Y1247 WeakPolarHBondContact OH-CE2 3.47Å
1160V84.2Confident78.5Confident0.4 Ų0.443.4 Ų43.40%0.00223%0.234CC..  trans-126.9121.6172.7-178.30000109.7R876 F1055 L1059 G1162 V1163 N1164 W1209 T1211R876-V1160 HydrophobicContact CB-CG1 4.36Å; F1055-V1160 HydrophobicContact CE1-CG2 4.32Å; L1059-V1160 HydrophobicContact CD1-CB 4.16Å; L1059-V1160 HydrophobicContact CD1-CG2 3.49Å; L1059-V1160 VanDerWaalsContact CD1-CG2 3.47Å; V1160-G1162 PolarHBondContact O-N 3.15Å; V1160-V1163 HydrophobicContact CB-CB 4.11Å; V1160-V1163 HydrophobicContact CB-CG2 4.24Å; V1160-V1163 HydrophobicContact CG1-CB 4.11Å; V1160-V1163 HydrophobicContact CG1-CG2 3.67Å; V1160-V1163 PolarHBondContact O-N 3.17Å; V1160-V1163 VanDerWaalsContact O-N 3.12Å; V1160-N1164 PolarHBondContact N-OD1 3.1Å; V1160-N1164 PolarHBondContact O-N 3.27Å; V1160-N1164 PolarHBondContact O-OD1 3.16Å; V1160-N1164 VanDerWaalsContact O-OD1 3.1Å; V1160-W1209 HydrophobicContact CG2-CB 4.31Å; V1160-W1209 HydrophobicContact CG2-CE3 3.85Å; V1160-T1211 HydrophobicContact CG1-CG2 3.93Å
1161T80.3Confident80.3Confident40 Ų4038.4 Ų38.425%0.24520%0.204CC..THydrogen-bonded Turntrans-57.4121.5-178.446.20000111.9R876 Y1159 V1163R876-T1161 WeakPolarHBondContact CD-O 3.13Å; R876-T1161 WeakPolarHBondContact CG-O 3.31Å; Y1159-T1161 HydrophobicContact CE1-CG2 4Å; Y1159-T1161 WeakPolarHBondContact OH-CA 3.5Å; Y1159-T1161 VanDerWaalsContact OH-CG2 3.25Å; Y1159-T1161 WeakPolarHBondContact OH-CG2 3.25Å; T1161-V1163 VanDerWaalsContact C-N 3.34Å
1162G78.3Confident82Confident35 Ų3528.6 Ų28.636%0.36116%0.161SC..THydrogen-bonded Turntrans82.27.5179.200000115.1V1160 D1165V1160-G1162 PolarHBondContact O-N 3.15Å; G1162-D1165 VanDerWaalsContact CA-OD2 3.31Å; G1162-D1165 WeakPolarHBondContact CA-OD2 3.36Å; G1162-D1165 PolarHBondContact N-OD1 3.17Å; G1162-D1165 PolarHBondContact N-OD2 3.03Å; G1162-D1165 VanDerWaalsContact N-OD2 3.11Å
1163V81.8Confident83.3Confident13 Ų1323.9 Ų23.98%0.07913%0.132CC..THydrogen-bonded Turntrans-117.3-58.8179-177.50000111.4R876 L1059 T1060 E1063 V1160 T1161R876-V1163 HydrophobicContact CB-CG2 4.06Å; R876-V1163 HydrophobicContact CG-CG2 4.24Å; L1059-V1163 HydrophobicContact CB-CG1 4.01Å; T1060-V1163 HydrophobicContact CG2-CG1 3.76Å; E1063-V1163 WeakPolarHBondContact CG-O 3.39Å; V1160-V1163 HydrophobicContact CB-CB 4.11Å; V1160-V1163 HydrophobicContact CB-CG2 4.24Å; V1160-V1163 HydrophobicContact CG1-CB 4.11Å; V1160-V1163 HydrophobicContact CG1-CG2 3.67Å; V1160-V1163 PolarHBondContact O-N 3.17Å; V1160-V1163 VanDerWaalsContact O-N 3.12Å; T1161-V1163 VanDerWaalsContact C-N 3.34Å
1164N87.6Confident84.4Confident0 Ų015.6 Ų15.60%010%0.096CC..SBendtrans-119.942.5-177.171.4-27.7000112.4L1059 E1063 Y1157 P1158 Y1159 V1160 L1166 A1167 T1168L1059-N1164 HydrophobicContact CB-CB 4.43Å; E1063-N1164 HydrophobicContact CB-CB 4.42Å; E1063-N1164 WeakPolarHBondContact OE2-CA 3.41Å; Y1157-N1164 WeakPolarHBondContact CE1-ND2 3.4Å; Y1157-N1164 PolarHBondContact OH-ND2 3.25Å; P1158-N1164 PolarHBondContact O-ND2 3.13Å; Y1159-N1164 WeakPolarHBondContact CD2-OD1 3.39Å; V1160-N1164 PolarHBondContact N-OD1 3.1Å; V1160-N1164 PolarHBondContact O-N 3.27Å; V1160-N1164 PolarHBondContact O-OD1 3.16Å; V1160-N1164 VanDerWaalsContact O-OD1 3.1Å; N1164-L1166 PolarHBondContact O-N 3.13Å; N1164-A1167 HydrophobicContact CB-CB 4.19Å; N1164-A1167 PolarHBondContact O-N 3.1Å; N1164-T1168 WeakPolarHBondContact O-CB 3.36Å; N1164-T1168 WeakPolarHBondContact O-CG2 3.41Å; N1164-T1168 PolarHBondContact O-N 3.28Å; N1164-T1168 PolarHBondContact O-OG1 3.16Å
1165D84.4Confident85.1Confident27.4 Ų27.414.4 Ų14.415%0.1479%0.09CC..Hα-helixtrans-61.4-40.6-177.4-75.9-35.2000112.4Y1159 G1162 T1168 A1169 Y1220 Y1247 F1297Y1159-D1165 VanDerWaalsContact CE2-OD1 3.28Å; Y1159-D1165 WeakPolarHBondContact CE2-OD1 3.47Å; Y1159-D1165 PolarHBondContact OH-OD1 2.85Å; G1162-D1165 VanDerWaalsContact CA-OD2 3.31Å; G1162-D1165 WeakPolarHBondContact CA-OD2 3.36Å; G1162-D1165 PolarHBondContact N-OD1 3.17Å; G1162-D1165 PolarHBondContact N-OD2 3.03Å; G1162-D1165 VanDerWaalsContact N-OD2 3.11Å; D1165-T1168 WeakPolarHBondContact CA-OG1 3.21Å; D1165-T1168 PolarHBondContact O-N 3.15Å; D1165-T1168 PolarHBondContact O-OG1 2.71Å; D1165-A1169 WeakPolarHBondContact O-CB 3.32Å; D1165-A1169 PolarHBondContact O-N 3.13Å; D1165-Y1220 PolarHBondContact OD1-OH 3.08Å; D1165-Y1220 VanDerWaalsContact OD1-OH 3.12Å; D1165-Y1247 WeakPolarHBondContact CA-OH 3.3Å; D1165-Y1247 VanDerWaalsContact CB-OH 3.25Å; D1165-Y1247 WeakPolarHBondContact CB-OH 3.44Å; D1165-Y1247 VanDerWaalsContact CG-OH 3.24Å; D1165-Y1247 PolarHBondContact O-OH 3.18Å; D1165-Y1247 WeakPolarHBondContact OD1-CE2 3.43Å; D1165-Y1247 PolarHBondContact OD1-OH 2.88Å; D1165-F1297 HydrophobicContact CB-CE2 3.84Å; D1165-F1297 HydrophobicContact CB-CZ 3.76Å; D1165-F1297 WeakPolarHBondContact O-CZ 3.35Å
1166L85.8Confident85.4Confident4 Ų410.5 Ų10.52%0.0217%0.069CC..Hα-helixtrans-72-43.8178.3-178.965.9000111E1063 L1066 N1164 T1168 A1169 L1170 F1297 L1301 R1304 L1308E1063-L1166 WeakPolarHBondContact OE1-CB 3.43Å; E1063-L1166 WeakPolarHBondContact OE2-CB 3.35Å; E1063-L1166 PolarHBondContact OE2-N 3.17Å; E1063-L1166 VanDerWaalsContact OE2-N 3.12Å; L1066-L1166 HydrophobicContact CB-CD2 4.13Å; L1066-L1166 HydrophobicContact CD1-CB 4.35Å; L1066-L1166 HydrophobicContact CD1-CD2 4.14Å; L1066-L1166 HydrophobicContact CD1-CG 4.09Å; N1164-L1166 PolarHBondContact O-N 3.13Å; L1166-T1168 VanDerWaalsContact C-N 3.27Å; L1166-T1168 PolarHBondContact O-N 3.11Å; L1166-A1169 WeakPolarHBondContact O-CB 3.33Å; L1166-A1169 PolarHBondContact O-N 3.24Å; L1166-A1169 VanDerWaalsContact O-N 3.17Å; L1166-L1170 HydrophobicContact CD1-CG 4.37Å; L1166-L1170 HydrophobicContact CG-CD1 4.36Å; L1166-L1170 HydrophobicContact CG-CG 4.44Å; L1166-L1170 WeakPolarHBondContact O-CG 3.41Å; L1166-L1170 PolarHBondContact O-N 3.24Å; L1166-F1297 HydrophobicContact CD1-CE2 4.08Å; L1166-F1297 HydrophobicContact CD1-CZ 4.2Å; L1166-L1301 HydrophobicContact CD1-CD1 4.06Å; L1166-R1304 VanDerWaalsContact CD2-NH1 3.3Å; L1166-L1308 HydrophobicContact CD2-CD2 3.99Å
1167A88Confident85.4Confident0 Ų08.4 Ų8.40%06%0.057CC..Hα-helixtrans-56.7-42.417600000111.6E1063 L1066 L1134 Y1157 N1164 L1170 A1171E1063-A1167 PolarHBondContact OE2-N 3.11Å; E1063-A1167 VanDerWaalsContact OE2-N 3.13Å; L1066-A1167 HydrophobicContact CD1-CB 3.76Å; L1134-A1167 HydrophobicContact CD2-CB 4.12Å; Y1157-A1167 HydrophobicContact CE1-CB 4.06Å; Y1157-A1167 VanDerWaalsContact OH-CB 3.29Å; Y1157-A1167 WeakPolarHBondContact OH-CB 3.27Å; N1164-A1167 HydrophobicContact CB-CB 4.19Å; N1164-A1167 PolarHBondContact O-N 3.1Å; A1167-L1170 PolarHBondContact O-N 3.05Å; A1167-A1171 WeakPolarHBondContact O-CB 3.38Å; A1167-A1171 PolarHBondContact O-N 3.26Å
1168T87.4Confident85.2Confident0.2 Ų0.210.3 Ų10.30%0.0017%0.067CC..Hα-helixtrans-70.3-37.3177.7-40.20000112.7Y1157 Y1159 N1164 D1165 L1166 L1170 A1171 G1172 I1206 Y1247Y1157-T1168 HydrophobicContact CD1-CG2 3.97Å; Y1157-T1168 HydrophobicContact CE1-CG2 3.88Å; Y1159-T1168 HydrophobicContact CD1-CG2 4.32Å; Y1159-T1168 HydrophobicContact CD2-CG2 3.63Å; Y1159-T1168 WeakPolarHBondContact CD2-OG1 3.32Å; Y1159-T1168 HydrophobicContact CE2-CG2 4.3Å; Y1159-T1168 HydrophobicContact CG-CG2 3.73Å; N1164-T1168 WeakPolarHBondContact O-CB 3.36Å; N1164-T1168 WeakPolarHBondContact O-CG2 3.41Å; N1164-T1168 PolarHBondContact O-N 3.28Å; N1164-T1168 PolarHBondContact O-OG1 3.16Å; D1165-T1168 WeakPolarHBondContact CA-OG1 3.21Å; D1165-T1168 PolarHBondContact O-N 3.15Å; D1165-T1168 PolarHBondContact O-OG1 2.71Å; L1166-T1168 VanDerWaalsContact C-N 3.27Å; L1166-T1168 PolarHBondContact O-N 3.11Å; T1168-L1170 VanDerWaalsContact C-N 3.33Å; T1168-L1170 PolarHBondContact O-N 3.32Å; T1168-A1171 PolarHBondContact O-N 3.03Å; T1168-G1172 PolarHBondContact O-N 3.05Å; T1168-I1206 HydrophobicContact CG2-CG2 4.05Å; T1168-Y1247 HydrophobicContact CG2-CD1 4.26Å; T1168-Y1247 HydrophobicContact CG2-CD2 4.07Å; T1168-Y1247 HydrophobicContact CG2-CE2 4.07Å; T1168-Y1247 HydrophobicContact CG2-CG 4.13Å
1169A86.1Confident84.8Confident2.2 Ų2.29.8 Ų9.82%0.0186%0.064CC..Hα-helixtrans-60.6-44.8171.700000111.4D1165 L1166 G1172 V1173 Y1247 L1290 F1297D1165-A1169 WeakPolarHBondContact O-CB 3.32Å; D1165-A1169 PolarHBondContact O-N 3.13Å; L1166-A1169 WeakPolarHBondContact O-CB 3.33Å; L1166-A1169 PolarHBondContact O-N 3.24Å; L1166-A1169 VanDerWaalsContact O-N 3.17Å; A1169-G1172 PolarHBondContact O-N 3.21Å; A1169-V1173 VanDerWaalsContact O-CG2 3.3Å; A1169-V1173 WeakPolarHBondContact O-CG2 3.43Å; A1169-V1173 PolarHBondContact O-N 3.07Å; A1169-Y1247 HydrophobicContact CB-CD1 4.47Å; A1169-Y1247 HydrophobicContact CB-CE1 3.98Å; A1169-L1290 HydrophobicContact CB-CD1 4.23Å; A1169-F1297 HydrophobicContact CB-CD1 4.36Å; A1169-F1297 HydrophobicContact CB-CD2 4.36Å; A1169-F1297 HydrophobicContact CB-CE1 3.96Å; A1169-F1297 HydrophobicContact CB-CE2 3.48Å; A1169-F1297 VanDerWaalsContact CB-CE2 3.45Å; A1169-F1297 HydrophobicContact CB-CZ 3.89Å; A1169-F1297 VanDerWaalsContact CB-CZ 3.44Å
1170L87Confident84.1Confident8.8 Ų8.811.9 Ų11.95%0.0468%0.077CC..Hα-helixtrans-65.5-41.8177.1-66.5176.7000112.2L1066 L1134 L1166 A1167 T1168 G1172 V1173 I1174 L1301 L1308 L1312 L1316L1066-L1170 HydrophobicContact CD1-CD1 4.04Å; L1066-L1170 HydrophobicContact CD2-CD1 4.25Å; L1134-L1170 HydrophobicContact CD2-CB 4.36Å; L1134-L1170 HydrophobicContact CD2-CD1 4.34Å; L1166-L1170 HydrophobicContact CD1-CG 4.37Å; L1166-L1170 HydrophobicContact CG-CD1 4.36Å; L1166-L1170 HydrophobicContact CG-CG 4.44Å; L1166-L1170 WeakPolarHBondContact O-CG 3.41Å; L1166-L1170 PolarHBondContact O-N 3.24Å; A1167-L1170 PolarHBondContact O-N 3.05Å; T1168-L1170 VanDerWaalsContact C-N 3.33Å; T1168-L1170 PolarHBondContact O-N 3.32Å; L1170-G1172 VanDerWaalsContact C-N 3.33Å; L1170-G1172 PolarHBondContact O-N 2.96Å; L1170-V1173 WeakPolarHBondContact O-CB 3.37Å; L1170-V1173 PolarHBondContact O-N 3.08Å; L1170-I1174 WeakPolarHBondContact O-CG1 3.38Å; L1170-I1174 PolarHBondContact O-N 3.08Å; L1170-L1301 HydrophobicContact CD2-CD1 4.42Å; L1170-L1308 HydrophobicContact CD1-CD2 3.89Å; L1170-L1308 HydrophobicContact CD2-CD1 4.41Å; L1170-L1312 HydrophobicContact CD1-CD1 4.24Å; L1170-L1316 HydrophobicContact CD2-CD1 3.78Å; L1170-L1316 HydrophobicContact CD2-CD2 4.43Å; L1170-L1316 HydrophobicContact CD2-CG 4.46Å
1171A87.6Confident83.5Confident0 Ų019.2 Ų19.20%011%0.111CC..Hα-helixtrans-58.6-47.1172.600000110.9L1134 W1137 Y1157 A1167 T1168 V1173 I1174 V1175 I1206L1134-A1171 HydrophobicContact CD1-CB 4.07Å; W1137-A1171 HydrophobicContact CE3-CB 4.43Å; W1137-A1171 HydrophobicContact CH2-CB 4.04Å; W1137-A1171 HydrophobicContact CZ3-CB 3.77Å; Y1157-A1171 HydrophobicContact CD1-CB 4.42Å; A1167-A1171 WeakPolarHBondContact O-CB 3.38Å; A1167-A1171 PolarHBondContact O-N 3.26Å; T1168-A1171 PolarHBondContact O-N 3.03Å; A1171-V1173 VanDerWaalsContact C-N 3.32Å; A1171-V1173 PolarHBondContact O-N 2.99Å; A1171-I1174 WeakPolarHBondContact O-CA 3.34Å; A1171-I1174 WeakPolarHBondContact O-CB 3.45Å; A1171-I1174 PolarHBondContact O-N 3.11Å; A1171-I1174 VanDerWaalsContact O-N 3.1Å; A1171-V1175 WeakPolarHBondContact O-CG2 3.38Å; A1171-V1175 PolarHBondContact O-N 3.32Å; A1171-I1206 HydrophobicContact CB-CD1 3.93Å; A1171-I1206 HydrophobicContact CB-CG1 4.42Å
1172G86.8Confident82.9Confident0 Ų019.6 Ų19.60%011%0.11CC..Hα-helixtrans-61.4-36.7177.200000114.2T1168 A1169 L1170 I1174 V1175 S1176T1168-G1172 PolarHBondContact O-N 3.05Å; A1169-G1172 PolarHBondContact O-N 3.21Å; L1170-G1172 VanDerWaalsContact C-N 3.33Å; L1170-G1172 PolarHBondContact O-N 2.96Å; G1172-I1174 VanDerWaalsContact C-N 3.27Å; G1172-I1174 PolarHBondContact O-N 3.08Å; G1172-V1175 PolarHBondContact O-N 3.03Å; G1172-S1176 VanDerWaalsContact O-CB 3.28Å; G1172-S1176 WeakPolarHBondContact O-CB 3.27Å; G1172-S1176 PolarHBondContact O-N 3.21Å; G1172-S1176 PolarHBondContact O-OG 3.09Å; G1172-S1176 VanDerWaalsContact O-OG 3.08Å
1173V86.8Confident82.5Confident2 Ų218.6 Ų18.61%0.01210%0.096CC..Hα-helixtrans-60.4-39.9172.5170.20000111.1A1169 L1170 A1171 S1176 A1177 A1283 F1286 L1287 L1316 F1319A1169-V1173 VanDerWaalsContact O-CG2 3.3Å; A1169-V1173 WeakPolarHBondContact O-CG2 3.43Å; A1169-V1173 PolarHBondContact O-N 3.07Å; L1170-V1173 WeakPolarHBondContact O-CB 3.37Å; L1170-V1173 PolarHBondContact O-N 3.08Å; A1171-V1173 VanDerWaalsContact C-N 3.32Å; A1171-V1173 PolarHBondContact O-N 2.99Å; V1173-S1176 WeakPolarHBondContact CA-OG 3.48Å; V1173-S1176 PolarHBondContact O-OG 3.16Å; V1173-S1176 VanDerWaalsContact O-OG 3.11Å; V1173-A1177 WeakPolarHBondContact O-CB 3.23Å; V1173-A1177 PolarHBondContact O-N 3.21Å; V1173-A1177 VanDerWaalsContact O-N 3.11Å; V1173-A1283 HydrophobicContact CG1-CB 4.03Å; V1173-F1286 HydrophobicContact CB-CD1 4.41Å; V1173-F1286 HydrophobicContact CG2-CD1 3.77Å; V1173-F1286 HydrophobicContact CG2-CE1 4.09Å; V1173-F1286 VanDerWaalsContact N-CE1 3.32Å; V1173-L1287 HydrophobicContact CG2-CD1 4.09Å; V1173-L1287 HydrophobicContact CG2-CD2 3.41Å; V1173-L1287 VanDerWaalsContact CG2-CD2 3.44Å; V1173-L1287 HydrophobicContact CG2-CG 3.68Å; V1173-L1316 HydrophobicContact CG1-CD2 3.92Å; V1173-F1319 HydrophobicContact CG1-CD2 4.27Å; V1173-F1319 HydrophobicContact CG1-CE2 4.12Å
1174I87.1Confident81.8Confident8 Ų824.2 Ų24.24%0.04112%0.121CC..Hα-helixtrans-72.6-47.5178.7-64.9177.6000110.1V1138 F1142 L1170 A1171 G1172 S1176 A1177 L1178V1138-I1174 HydrophobicContact CB-CD1 4.22Å; V1138-I1174 HydrophobicContact CG1-CD1 3.73Å; V1138-I1174 HydrophobicContact CG1-CG1 4.33Å; V1138-I1174 HydrophobicContact CG2-CD1 3.4Å; V1138-I1174 VanDerWaalsContact CG2-CD1 3.44Å; V1138-I1174 HydrophobicContact CG2-CG1 4.22Å; F1142-I1174 HydrophobicContact CE1-CG2 4.32Å; F1142-I1174 HydrophobicContact CZ-CD1 4.01Å; F1142-I1174 HydrophobicContact CZ-CG2 4.31Å; L1170-I1174 WeakPolarHBondContact O-CG1 3.38Å; L1170-I1174 PolarHBondContact O-N 3.08Å; A1171-I1174 WeakPolarHBondContact O-CA 3.34Å; A1171-I1174 WeakPolarHBondContact O-CB 3.45Å; A1171-I1174 PolarHBondContact O-N 3.11Å; A1171-I1174 VanDerWaalsContact O-N 3.1Å; G1172-I1174 VanDerWaalsContact C-N 3.27Å; G1172-I1174 PolarHBondContact O-N 3.08Å; I1174-S1176 VanDerWaalsContact C-N 3.3Å; I1174-S1176 PolarHBondContact O-N 3.07Å; I1174-A1177 WeakPolarHBondContact O-CA 3.37Å; I1174-A1177 WeakPolarHBondContact O-CB 3.32Å; I1174-A1177 PolarHBondContact O-N 3.16Å; I1174-L1178 HydrophobicContact CG2-CD1 4.2Å; I1174-L1178 HydrophobicContact CG2-CG 4.39Å; I1174-L1178 WeakPolarHBondContact O-CG 3.34Å; I1174-L1178 PolarHBondContact O-N 3.08Å
1175V86.8Confident80.9Confident4 Ų428.7 Ų28.72%0.02414%0.142CC..Hα-helixtrans-54.4-46.6174.8179.10000111.2W1137 A1171 G1172 A1177 L1178 S1179 F1201 Q1205 I1206 Y1251W1137-V1175 HydrophobicContact CH2-CG2 3.8Å; W1137-V1175 HydrophobicContact CZ2-CG2 4.43Å; A1171-V1175 WeakPolarHBondContact O-CG2 3.38Å; A1171-V1175 PolarHBondContact O-N 3.32Å; G1172-V1175 PolarHBondContact O-N 3.03Å; V1175-A1177 VanDerWaalsContact C-N 3.3Å; V1175-A1177 PolarHBondContact O-N 2.98Å; V1175-L1178 PolarHBondContact O-N 3.15Å; V1175-L1178 VanDerWaalsContact O-N 3.07Å; V1175-S1179 PolarHBondContact O-N 3.15Å; V1175-S1179 VanDerWaalsContact O-N 3.11Å; V1175-S1179 PolarHBondContact O-OG 3.31Å; V1175-S1179 VanDerWaalsContact O-OG 3.12Å; V1175-F1201 HydrophobicContact CG1-CD1 4.4Å; V1175-F1201 HydrophobicContact CG1-CE1 3.85Å; V1175-Q1205 HydrophobicContact CG1-CG 4.38Å; V1175-Q1205 HydrophobicContact CG2-CB 4.11Å; V1175-Q1205 HydrophobicContact CG2-CG 4.44Å; V1175-I1206 HydrophobicContact CG2-CD1 4.27Å; V1175-I1206 HydrophobicContact CG2-CG1 4.47Å; V1175-Y1251 HydrophobicContact CG1-CD2 4.42Å; V1175-Y1251 HydrophobicContact CG1-CE2 3.87Å
1176S84.2Confident80.2Confident0.2 Ų0.227.9 Ų27.90%0.00114%0.138CC..Hα-helixtrans-62.8-34.1176.3-22.80000113.4G1172 V1173 I1174 L1178 S1179 Y1251 L1282 A1283 F1286G1172-S1176 VanDerWaalsContact O-CB 3.28Å; G1172-S1176 WeakPolarHBondContact O-CB 3.27Å; G1172-S1176 PolarHBondContact O-N 3.21Å; G1172-S1176 PolarHBondContact O-OG 3.09Å; G1172-S1176 VanDerWaalsContact O-OG 3.08Å; V1173-S1176 WeakPolarHBondContact CA-OG 3.48Å; V1173-S1176 PolarHBondContact O-OG 3.16Å; V1173-S1176 VanDerWaalsContact O-OG 3.11Å; I1174-S1176 VanDerWaalsContact C-N 3.3Å; I1174-S1176 PolarHBondContact O-N 3.07Å; S1176-L1178 VanDerWaalsContact C-N 3.32Å; S1176-L1178 PolarHBondContact O-N 3.22Å; S1176-S1179 PolarHBondContact O-N 2.91Å; S1176-S1179 PolarHBondContact O-OG 3.38Å; S1176-S1179 VanDerWaalsContact O-OG 3.04Å; S1176-Y1251 WeakPolarHBondContact OG-CD2 3.35Å; S1176-L1282 WeakPolarHBondContact O-CB 3.41Å; S1176-L1282 VanDerWaalsContact O-CD1 3.24Å; S1176-L1282 WeakPolarHBondContact O-CD1 3.33Å; S1176-A1283 WeakPolarHBondContact OG-CA 3.07Å; S1176-F1286 WeakPolarHBondContact OG-CB 3.35Å; S1176-F1286 WeakPolarHBondContact OG-CD2 3.24Å; S1176-F1286 WeakPolarHBondContact OG-CG 3.21Å
1177A82.7Confident79.4Confident8.2 Ų8.232.6 Ų32.67%0.06816%0.158CC..Hα-helixtrans-68.5-32.5173.500000112.5V1173 I1174 V1175 A1279 A1283 F1319V1173-A1177 WeakPolarHBondContact O-CB 3.23Å; V1173-A1177 PolarHBondContact O-N 3.21Å; V1173-A1177 VanDerWaalsContact O-N 3.11Å; I1174-A1177 WeakPolarHBondContact O-CA 3.37Å; I1174-A1177 WeakPolarHBondContact O-CB 3.32Å; I1174-A1177 PolarHBondContact O-N 3.16Å; V1175-A1177 VanDerWaalsContact C-N 3.3Å; V1175-A1177 PolarHBondContact O-N 2.98Å; A1177-A1279 HydrophobicContact CB-CB 4.32Å; A1177-A1279 WeakPolarHBondContact O-CB 3.42Å; A1177-A1283 HydrophobicContact CB-CB 4.21Å; A1177-F1319 HydrophobicContact CB-CE2 4.31Å; A1177-F1319 HydrophobicContact CB-CZ 4.24Å
1178L81.8Confident78.4Confident42.8 Ų42.839.8 Ų39.822%0.22420%0.197CC..Hα-helixtrans-82.1-23.8-178.4-60.1-174.3000113.2Q1141 F1142 L1145 I1174 V1175 S1176 T1180Q1141-L1178 HydrophobicContact CB-CD1 4.22Å; Q1141-L1178 WeakPolarHBondContact O-CD1 3.36Å; F1142-L1178 HydrophobicContact CE1-CD2 4.43Å; L1145-L1178 HydrophobicContact CD1-CD1 4.08Å; L1145-L1178 HydrophobicContact CD1-CD2 3.33Å; L1145-L1178 VanDerWaalsContact CD1-CD2 3.46Å; L1145-L1178 HydrophobicContact CD1-CG 4.33Å; L1145-L1178 HydrophobicContact CD2-CD1 4.36Å; L1145-L1178 HydrophobicContact CD2-CD2 4.2Å; L1145-L1178 HydrophobicContact CG-CD1 4.45Å; L1145-L1178 HydrophobicContact CG-CD2 4.27Å; I1174-L1178 HydrophobicContact CG2-CD1 4.2Å; I1174-L1178 HydrophobicContact CG2-CG 4.39Å; I1174-L1178 WeakPolarHBondContact O-CG 3.34Å; I1174-L1178 PolarHBondContact O-N 3.08Å; V1175-L1178 PolarHBondContact O-N 3.15Å; V1175-L1178 VanDerWaalsContact O-N 3.07Å; S1176-L1178 VanDerWaalsContact C-N 3.32Å; S1176-L1178 PolarHBondContact O-N 3.22Å; L1178-T1180 PolarHBondContact O-N 2.99Å; L1178-T1180 VanDerWaalsContact O-N 3.09Å
1179S78.8Confident77.5Confident1.4 Ų1.443 Ų431%0.0122%0.216CC..THydrogen-bonded Turntrans-73.518.2-177.4-18.10000115.6V1175 S1176 E1181 K1182 L1183 Y1251V1175-S1179 PolarHBondContact O-N 3.15Å; V1175-S1179 VanDerWaalsContact O-N 3.11Å; V1175-S1179 PolarHBondContact O-OG 3.31Å; V1175-S1179 VanDerWaalsContact O-OG 3.12Å; S1176-S1179 PolarHBondContact O-N 2.91Å; S1176-S1179 PolarHBondContact O-OG 3.38Å; S1176-S1179 VanDerWaalsContact O-OG 3.04Å; S1179-E1181 VanDerWaalsContact C-N 3.34Å; S1179-E1181 PolarHBondContact O-N 3.25Å; S1179-K1182 PolarHBondContact O-N 3.11Å; S1179-L1183 PolarHBondContact O-N 3.01Å; S1179-Y1251 VanDerWaalsContact CB-OH 3.27Å; S1179-Y1251 WeakPolarHBondContact CB-OH 3.44Å; S1179-Y1251 PolarHBondContact OG-OH 3.31Å
1180T72.9Confident77Confident51.4 Ų51.449.1 Ų49.132%0.31525%0.248SC..THydrogen-bonded Turntrans-62.6-40.7178.348.90000113.4L1178 K1182 L1183 A1279 L1282L1178-T1180 PolarHBondContact O-N 2.99Å; L1178-T1180 VanDerWaalsContact O-N 3.09Å; T1180-K1182 VanDerWaalsContact C-N 3.28Å; T1180-K1182 PolarHBondContact O-N 3.07Å; T1180-L1183 VanDerWaalsContact O-CB 3.28Å; T1180-L1183 WeakPolarHBondContact O-CB 3.34Å; T1180-L1183 PolarHBondContact O-N 3.16Å; T1180-L1183 VanDerWaalsContact O-N 3.12Å; T1180-A1279 VanDerWaalsContact CG2-CA 3.46Å; T1180-A1279 HydrophobicContact CG2-CB 3.76Å; T1180-L1282 HydrophobicContact CG2-CD1 3.71Å; T1180-L1282 HydrophobicContact CG2-CG 4.5Å
1181E70.5Confident76.3Confident155.2 Ų155.251.3 Ų51.373%0.72527%0.265SS*.THydrogen-bonded Turntrans-66.9-36.2179.9-62.8-177.6167.600111.4S1179 L1183 E1184S1179-E1181 VanDerWaalsContact C-N 3.34Å; S1179-E1181 PolarHBondContact O-N 3.25Å; E1181-L1183 VanDerWaalsContact C-N 3.28Å; E1181-L1183 PolarHBondContact O-N 3.02Å; E1181-L1183 VanDerWaalsContact O-N 3.16Å; E1181-E1184 WeakPolarHBondContact O-CB 3.49Å; E1181-E1184 PolarHBondContact O-N 3.1Å; E1181-E1184 VanDerWaalsContact O-N 3.14Å
1182K69.2Low75.8Confident47.6 Ų47.654.8 Ų54.821%0.20728%0.28CS..Hα-helixtrans-68.4-17.2178.2-60.6-95178.1-166.20113.6S1179 T1180 E1184 E1185 L1186 Y1197 F1201S1179-K1182 PolarHBondContact O-N 3.11Å; T1180-K1182 VanDerWaalsContact C-N 3.28Å; T1180-K1182 PolarHBondContact O-N 3.07Å; K1182-E1184 VanDerWaalsContact C-N 3.25Å; K1182-E1184 PolarHBondContact O-N 3.01Å; K1182-E1185 VanDerWaalsContact CD-CD 3.5Å; K1182-E1185 VanDerWaalsContact CD-OE2 3.23Å; K1182-E1185 WeakPolarHBondContact CD-OE2 3.44Å; K1182-E1185 WeakPolarHBondContact CG-OE2 3.23Å; K1182-E1185 VanDerWaalsContact NZ-CD 3.3Å; K1182-E1185 IonicContact NZ-OE1 3.32Å; K1182-E1185 PolarHBondContact NZ-OE1 2.87Å; K1182-E1185 IonicContact NZ-OE2 3.17Å; K1182-E1185 PolarHBondContact NZ-OE2 3.13Å; K1182-E1185 PolarHBondContact O-N 3.07Å; K1182-L1186 VanDerWaalsContact O-CD1 3.32Å; K1182-L1186 WeakPolarHBondContact O-CD1 3.33Å; K1182-L1186 VanDerWaalsContact O-CG 3.26Å; K1182-L1186 WeakPolarHBondContact O-CG 3.36Å; K1182-L1186 PolarHBondContact O-N 3.05Å; K1182-L1186 VanDerWaalsContact O-N 3.13Å; K1182-Y1197 HydrophobicContact CD-CE1 4.35Å; K1182-Y1197 WeakPolarHBondContact CD-OH 3.42Å; K1182-Y1197 VanDerWaalsContact CE-OH 3.23Å; K1182-Y1197 WeakPolarHBondContact CE-OH 3.32Å; K1182-Y1197 PolarHBondContact NZ-OH 3Å; K1182-Y1197 VanDerWaalsContact NZ-OH 3.09Å; K1182-F1201 HydrophobicContact CD-CD1 4.48Å; K1182-F1201 HydrophobicContact CD-CD2 4.45Å; K1182-F1201 HydrophobicContact CD-CE1 4.42Å; K1182-F1201 HydrophobicContact CD-CE2 4.38Å; K1182-F1201 HydrophobicContact CD-CG 4.48Å; K1182-F1201 HydrophobicContact CD-CZ 4.36Å; K1182-F1201 VanDerWaalsContact NZ-CD2 3.28Å
1183L68.8Low75.4Confident14.2 Ų14.257.4 Ų57.47%0.07430%0.298CS..Hα-helixtrans-65-25.1174.1-163.173.9000112.4S1179 T1180 E1181 K1187 L1255 C1258 V1259 I1277 L1282S1179-L1183 PolarHBondContact O-N 3.01Å; T1180-L1183 VanDerWaalsContact O-CB 3.28Å; T1180-L1183 WeakPolarHBondContact O-CB 3.34Å; T1180-L1183 PolarHBondContact O-N 3.16Å; T1180-L1183 VanDerWaalsContact O-N 3.12Å; E1181-L1183 VanDerWaalsContact C-N 3.28Å; E1181-L1183 PolarHBondContact O-N 3.02Å; E1181-L1183 VanDerWaalsContact O-N 3.16Å; L1183-K1187 VanDerWaalsContact O-CE 3.32Å; L1183-K1187 WeakPolarHBondContact O-CE 3.14Å; L1183-K1187 WeakPolarHBondContact O-CG 3.37Å; L1183-L1255 HydrophobicContact CD1-CD2 4.1Å; L1183-C1258 HydrophobicContact CD1-CB 3.85Å; L1183-C1258 HydrophobicContact CD2-CB 4.29Å; L1183-V1259 HydrophobicContact CD1-CG2 3.75Å; L1183-I1277 HydrophobicContact CD2-CB 4.36Å; L1183-I1277 HydrophobicContact CD2-CD1 4.26Å; L1183-L1282 HydrophobicContact CD1-CD2 4.41Å
1184E66.7Low75Confident130.6 Ų130.657.7 Ų57.761%0.6130%0.3SS*.Hα-helixtrans-77.1-40.6174.9-61.4-120.4132.700111.9E1181 K1182 L1186 K1187E1181-E1184 WeakPolarHBondContact O-CB 3.49Å; E1181-E1184 PolarHBondContact O-N 3.1Å; E1181-E1184 VanDerWaalsContact O-N 3.14Å; K1182-E1184 VanDerWaalsContact C-N 3.25Å; K1182-E1184 PolarHBondContact O-N 3.01Å; E1184-L1186 VanDerWaalsContact C-N 3.31Å; E1184-L1186 PolarHBondContact O-N 3.13Å; E1184-K1187 PolarHBondContact O-N 3.04Å; E1184-K1187 IonicContact OE1-NZ 3.27Å; E1184-K1187 PolarHBondContact OE1-NZ 3.16Å; E1184-K1187 WeakPolarHBondContact OE2-CE 3.38Å; E1184-K1187 IonicContact OE2-NZ 2.79Å; E1184-K1187 PolarHBondContact OE2-NZ 2.96Å
1185E69.5Low74.6Confident94 Ų9457.4 Ų57.444%0.43930%0.299SS..Hα-helixtrans-60.5-40.6176.6-62.5178.7173.100111.6K1182 K1187 N1188 V1189 Y1197K1182-E1185 VanDerWaalsContact CD-CD 3.5Å; K1182-E1185 VanDerWaalsContact CD-OE2 3.23Å; K1182-E1185 WeakPolarHBondContact CD-OE2 3.44Å; K1182-E1185 WeakPolarHBondContact CG-OE2 3.23Å; K1182-E1185 VanDerWaalsContact NZ-CD 3.3Å; K1182-E1185 IonicContact NZ-OE1 3.32Å; K1182-E1185 PolarHBondContact NZ-OE1 2.87Å; K1182-E1185 IonicContact NZ-OE2 3.17Å; K1182-E1185 PolarHBondContact NZ-OE2 3.13Å; K1182-E1185 PolarHBondContact O-N 3.07Å; E1185-K1187 VanDerWaalsContact C-N 3.34Å; E1185-K1187 PolarHBondContact O-N 3.16Å; E1185-K1187 VanDerWaalsContact O-N 3.14Å; E1185-N1188 PolarHBondContact O-N 3.31Å; E1185-V1189 VanDerWaalsContact O-CG2 3.29Å; E1185-V1189 WeakPolarHBondContact O-CG2 3.33Å; E1185-Y1197 WeakPolarHBondContact OE2-CE1 3.07Å; E1185-Y1197 PolarHBondContact OE2-OH 3.05Å
1186L69.2Low74.4Confident10.6 Ų10.661.5 Ų61.56%0.05532%0.318CS..G310 helixtrans-70.4-15.3-176.1-67.8162.9000114.6K1182 E1184 N1188 V1189 A1194 Y1197 L1198 L1255 V1259K1182-L1186 VanDerWaalsContact O-CD1 3.32Å; K1182-L1186 WeakPolarHBondContact O-CD1 3.33Å; K1182-L1186 VanDerWaalsContact O-CG 3.26Å; K1182-L1186 WeakPolarHBondContact O-CG 3.36Å; K1182-L1186 PolarHBondContact O-N 3.05Å; K1182-L1186 VanDerWaalsContact O-N 3.13Å; E1184-L1186 VanDerWaalsContact C-N 3.31Å; E1184-L1186 PolarHBondContact O-N 3.13Å; L1186-N1188 VanDerWaalsContact C-N 3.26Å; L1186-N1188 PolarHBondContact O-N 3.03Å; L1186-V1189 PolarHBondContact O-N 2.83Å; L1186-A1194 HydrophobicContact CD2-CB 3.8Å; L1186-Y1197 HydrophobicContact CD2-CD1 4.28Å; L1186-L1198 HydrophobicContact CD1-CD1 4.28Å; L1186-L1198 HydrophobicContact CD1-CD2 4.01Å; L1186-L1198 HydrophobicContact CD1-CG 4.47Å; L1186-L1198 HydrophobicContact CD2-CD1 4.27Å; L1186-L1198 HydrophobicContact CD2-CD2 4.28Å; L1186-L1198 HydrophobicContact CD2-CG 4.12Å; L1186-L1255 HydrophobicContact CD1-CB 4.4Å; L1186-L1255 HydrophobicContact CD1-CD1 4.48Å; L1186-V1259 HydrophobicContact CB-CG2 4.09Å
1187K68.7Low74.3Confident103 Ų10365.3 Ų65.345%0.44833%0.333SS..G310 helixtrans-67.9-24.2-178.7-71.4172.2-173.6170.60113.4L1183 E1184 E1185L1183-K1187 VanDerWaalsContact O-CE 3.32Å; L1183-K1187 WeakPolarHBondContact O-CE 3.14Å; L1183-K1187 WeakPolarHBondContact O-CG 3.37Å; E1184-K1187 PolarHBondContact O-N 3.04Å; E1184-K1187 IonicContact OE1-NZ 3.27Å; E1184-K1187 PolarHBondContact OE1-NZ 3.16Å; E1184-K1187 WeakPolarHBondContact OE2-CE 3.38Å; E1184-K1187 IonicContact OE2-NZ 2.79Å; E1184-K1187 PolarHBondContact OE2-NZ 2.96Å; E1185-K1187 VanDerWaalsContact C-N 3.34Å; E1185-K1187 PolarHBondContact O-N 3.16Å; E1185-K1187 VanDerWaalsContact O-N 3.14Å
1188N66.9Low74.3Confident152 Ų15265.1 Ų65.181%0.81333%0.331SS*.G310 helixtrans-110.17.1-172-62.5-23.1000113.3E1185 L1186E1185-N1188 PolarHBondContact O-N 3.31Å; L1186-N1188 VanDerWaalsContact C-N 3.26Å; L1186-N1188 PolarHBondContact O-N 3.03Å
1189V70.1Confident74.3Confident66.8 Ų66.864.4 Ų64.441%0.40533%0.327SS..SBendtrans-113.5138.5-170.3178.90000110.2E1185 L1186 S1191 S1193 A1194E1185-V1189 VanDerWaalsContact O-CG2 3.29Å; E1185-V1189 WeakPolarHBondContact O-CG2 3.33Å; L1186-V1189 PolarHBondContact O-N 2.83Å; V1189-S1191 PolarHBondContact O-N 3.23Å; V1189-S1193 VanDerWaalsContact CG1-OG 3.27Å; V1189-S1193 WeakPolarHBondContact CG1-OG 3.39Å; V1189-A1194 HydrophobicContact CG1-CB 4.16Å
1190D74.2Confident74.5Confident130.4 Ų130.468.9 Ų68.970%0.69735%0.348SS*.  trans-55.6139.9175.1-70.4-39.1000111.2K1192 S1193 A1194D1190-K1192 PolarHBondContact O-N 3.1Å; D1190-K1192 VanDerWaalsContact O-N 3.09Å; D1190-S1193 PolarHBondContact O-N 3.1Å; D1190-S1193 VanDerWaalsContact O-N 3.11Å; D1190-S1193 PolarHBondContact O-OG 3.02Å; D1190-S1193 VanDerWaalsContact O-OG 3.05Å; D1190-A1194 WeakPolarHBondContact O-CB 3.3Å; D1190-A1194 PolarHBondContact O-N 3.21Å
1191S72.6Confident74.9Confident55.4 Ų55.468.3 Ų68.339%0.38734%0.341SS..Hα-helixtrans-55.7-31.4-173.352.40000114V1189 V1195 I1231V1189-S1191 PolarHBondContact O-N 3.23Å; S1191-V1195 VanDerWaalsContact O-CG2 3.28Å; S1191-V1195 WeakPolarHBondContact O-CG2 3.39Å; S1191-V1195 PolarHBondContact O-N 3.05Å; S1191-V1195 VanDerWaalsContact O-N 3.12Å; S1191-I1231 WeakPolarHBondContact OG-CD1 3.4Å; S1191-I1231 WeakPolarHBondContact OG-CG1 3.4Å
1192K78Confident75.5Confident72.2 Ų72.261.8 Ų61.831%0.31431%0.31SS..Hα-helixtrans-72.7-46177.3-132.2176.9178.9-179.20112.8D1190 A1194 V1195 Q1196 I1231 D1234 E1236 V1237 W1240D1190-K1192 PolarHBondContact O-N 3.1Å; D1190-K1192 VanDerWaalsContact O-N 3.09Å; K1192-A1194 VanDerWaalsContact C-N 3.31Å; K1192-A1194 PolarHBondContact O-N 3.16Å; K1192-V1195 PolarHBondContact O-N 3.17Å; K1192-Q1196 PolarHBondContact O-N 3.07Å; K1192-Q1196 VanDerWaalsContact O-N 3.1Å; K1192-I1231 HydrophobicContact CB-CD1 3.9Å; K1192-I1231 VanDerWaalsContact N-CD1 3.33Å; K1192-D1234 WeakPolarHBondContact CE-OD2 3.41Å; K1192-D1234 IonicContact NZ-OD1 3.83Å; K1192-D1234 PolarHBondContact NZ-OD1 2.88Å; K1192-D1234 IonicContact NZ-OD2 3.66Å; K1192-D1234 PolarHBondContact NZ-OD2 3.05Å; K1192-E1236 VanDerWaalsContact CE-OE2 3.28Å; K1192-E1236 WeakPolarHBondContact CE-OE2 3.3Å; K1192-E1236 IonicContact NZ-OE2 3.23Å; K1192-E1236 PolarHBondContact NZ-OE2 3.19Å; K1192-V1237 HydrophobicContact CD-CG2 4.14Å; K1192-V1237 HydrophobicContact CG-CG2 4.15Å; K1192-W1240 HydrophobicContact CG-CH2 4.19Å; K1192-W1240 HydrophobicContact CG-CZ3 4.01Å
1193S77.5Confident76Confident56 Ų5662.6 Ų62.639%0.39232%0.321SS..Hα-helixtrans-69.3-33.2176.79.10000111.6V1189 D1190 Q1196 Y1197V1189-S1193 VanDerWaalsContact CG1-OG 3.27Å; V1189-S1193 WeakPolarHBondContact CG1-OG 3.39Å; D1190-S1193 PolarHBondContact O-N 3.1Å; D1190-S1193 VanDerWaalsContact O-N 3.11Å; D1190-S1193 PolarHBondContact O-OG 3.02Å; D1190-S1193 VanDerWaalsContact O-OG 3.05Å; S1193-Q1196 PolarHBondContact O-N 3.11Å; S1193-Y1197 VanDerWaalsContact O-CB 3.27Å; S1193-Y1197 WeakPolarHBondContact O-CB 3.3Å; S1193-Y1197 PolarHBondContact O-N 3.02Å
1194A78.9Confident76.5Confident7 Ų766.6 Ų66.66%0.05834%0.343CS..Hα-helixtrans-59.4-46.3170.100000111.8L1186 V1189 D1190 K1192 Q1196 Y1197 L1198L1186-A1194 HydrophobicContact CD2-CB 3.8Å; V1189-A1194 HydrophobicContact CG1-CB 4.16Å; D1190-A1194 WeakPolarHBondContact O-CB 3.3Å; D1190-A1194 PolarHBondContact O-N 3.21Å; K1192-A1194 VanDerWaalsContact C-N 3.31Å; K1192-A1194 PolarHBondContact O-N 3.16Å; A1194-Q1196 PolarHBondContact O-N 3.14Å; A1194-Y1197 PolarHBondContact O-N 3.02Å; A1194-L1198 WeakPolarHBondContact O-CB 3.31Å; A1194-L1198 VanDerWaalsContact O-CG 3.25Å; A1194-L1198 WeakPolarHBondContact O-CG 3.27Å; A1194-L1198 PolarHBondContact O-N 3.08Å
1195V79.2Confident77.1Confident2 Ų261.9 Ų61.91%0.01232%0.321CS..Hα-helixtrans-61.7-44.7175.9171.40000111.5S1191 K1192 L1198 L1199 F1232 V1237 W1240 V1252S1191-V1195 VanDerWaalsContact O-CG2 3.28Å; S1191-V1195 WeakPolarHBondContact O-CG2 3.39Å; S1191-V1195 PolarHBondContact O-N 3.05Å; S1191-V1195 VanDerWaalsContact O-N 3.12Å; K1192-V1195 PolarHBondContact O-N 3.17Å; V1195-L1198 PolarHBondContact O-N 3.12Å; V1195-L1199 HydrophobicContact CG1-CD1 3.93Å; V1195-L1199 HydrophobicContact CG1-CG 4.37Å; V1195-L1199 WeakPolarHBondContact O-CB 3.26Å; V1195-L1199 WeakPolarHBondContact O-CG 3.31Å; V1195-L1199 PolarHBondContact O-N 2.73Å; V1195-F1232 HydrophobicContact CG2-CE1 4.32Å; V1195-V1237 HydrophobicContact CG1-CG1 4.24Å; V1195-V1237 HydrophobicContact CG2-CG1 4.28Å; V1195-W1240 HydrophobicContact CG1-CE3 4.35Å; V1195-V1252 HydrophobicContact CB-CG1 4.4Å; V1195-V1252 HydrophobicContact CG1-CG1 4.14Å; V1195-V1252 HydrophobicContact CG2-CG1 3.83Å
1196Q82.3Confident77.6Confident91.4 Ų91.457.6 Ų57.643%0.42730%0.301SS..Hα-helixtrans-61.3-48.9178.1-176.9178.2-17.900111.7K1192 S1193 A1194 L1198 L1199 E1200 W1240K1192-Q1196 PolarHBondContact O-N 3.07Å; K1192-Q1196 VanDerWaalsContact O-N 3.1Å; S1193-Q1196 PolarHBondContact O-N 3.11Å; A1194-Q1196 PolarHBondContact O-N 3.14Å; Q1196-L1198 VanDerWaalsContact C-N 3.29Å; Q1196-L1198 PolarHBondContact O-N 3.28Å; Q1196-L1199 PolarHBondContact O-N 3.16Å; Q1196-L1199 VanDerWaalsContact O-N 3.1Å; Q1196-E1200 HydrophobicContact CG-CG 4.42Å; Q1196-E1200 WeakPolarHBondContact CG-OE1 3.34Å; Q1196-E1200 PolarHBondContact NE2-OE1 3.02Å; Q1196-E1200 WeakPolarHBondContact O-CG 3.3Å; Q1196-E1200 PolarHBondContact O-N 3.22Å; Q1196-W1240 HydrophobicContact CB-CZ3 4.34Å
1197Y82.3Confident78.1Confident78.6 Ų78.659.6 Ų59.631%0.30831%0.309SS..Hα-helixtrans-57.8-40.6177.5176.7-116.3000112.5K1182 E1185 L1186 S1193 A1194 E1200 F1201K1182-Y1197 HydrophobicContact CD-CE1 4.35Å; K1182-Y1197 WeakPolarHBondContact CD-OH 3.42Å; K1182-Y1197 VanDerWaalsContact CE-OH 3.23Å; K1182-Y1197 WeakPolarHBondContact CE-OH 3.32Å; K1182-Y1197 PolarHBondContact NZ-OH 3Å; K1182-Y1197 VanDerWaalsContact NZ-OH 3.09Å; E1185-Y1197 WeakPolarHBondContact OE2-CE1 3.07Å; E1185-Y1197 PolarHBondContact OE2-OH 3.05Å; L1186-Y1197 HydrophobicContact CD2-CD1 4.28Å; S1193-Y1197 VanDerWaalsContact O-CB 3.27Å; S1193-Y1197 WeakPolarHBondContact O-CB 3.3Å; S1193-Y1197 PolarHBondContact O-N 3.02Å; A1194-Y1197 PolarHBondContact O-N 3.02Å; Y1197-E1200 PolarHBondContact O-N 3.22Å; Y1197-F1201 VanDerWaalsContact O-CB 3.32Å; Y1197-F1201 WeakPolarHBondContact O-CB 3.36Å; Y1197-F1201 PolarHBondContact O-N 3.24Å
1198L82.1Confident78.5Confident5 Ų558.5 Ų58.53%0.02630%0.304CS..Hα-helixtrans-69.2-35.3177.2-71.4179.3000113.3L1186 A1194 V1195 Q1196 W1202 Y1251 V1252 L1255L1186-L1198 HydrophobicContact CD1-CD1 4.28Å; L1186-L1198 HydrophobicContact CD1-CD2 4.01Å; L1186-L1198 HydrophobicContact CD1-CG 4.47Å; L1186-L1198 HydrophobicContact CD2-CD1 4.27Å; L1186-L1198 HydrophobicContact CD2-CD2 4.28Å; L1186-L1198 HydrophobicContact CD2-CG 4.12Å; A1194-L1198 WeakPolarHBondContact O-CB 3.31Å; A1194-L1198 VanDerWaalsContact O-CG 3.25Å; A1194-L1198 WeakPolarHBondContact O-CG 3.27Å; A1194-L1198 PolarHBondContact O-N 3.08Å; V1195-L1198 PolarHBondContact O-N 3.12Å; Q1196-L1198 VanDerWaalsContact C-N 3.29Å; Q1196-L1198 PolarHBondContact O-N 3.28Å; L1198-W1202 VanDerWaalsContact O-CB 3.3Å; L1198-W1202 WeakPolarHBondContact O-CB 3.44Å; L1198-W1202 PolarHBondContact O-N 3.23Å; L1198-Y1251 HydrophobicContact CB-CE1 4.3Å; L1198-Y1251 HydrophobicContact CD2-CE1 4.02Å; L1198-V1252 HydrophobicContact CB-CG2 4Å; L1198-V1252 HydrophobicContact CD1-CG1 4.44Å; L1198-L1255 HydrophobicContact CD1-CB 3.95Å; L1198-L1255 HydrophobicContact CD1-CD1 4.02Å; L1198-L1255 HydrophobicContact CD2-CD1 3.44Å; L1198-L1255 VanDerWaalsContact CD2-CD1 3.47Å; L1198-L1255 HydrophobicContact CG-CD1 4.36Å
1199L82.2Confident78.7Confident26.8 Ų26.852.5 Ų52.514%0.1427%0.27CS..Hα-helixtrans-71.6-39.4175.1-71.9175.9000111.9V1195 Q1196 W1202 S1203 W1240 L1241 A1244 A1248 V1252V1195-L1199 HydrophobicContact CG1-CD1 3.93Å; V1195-L1199 HydrophobicContact CG1-CG 4.37Å; V1195-L1199 WeakPolarHBondContact O-CB 3.26Å; V1195-L1199 WeakPolarHBondContact O-CG 3.31Å; V1195-L1199 PolarHBondContact O-N 2.73Å; Q1196-L1199 PolarHBondContact O-N 3.16Å; Q1196-L1199 VanDerWaalsContact O-N 3.1Å; L1199-W1202 PolarHBondContact O-N 3.18Å; L1199-S1203 WeakPolarHBondContact O-CB 3.26Å; L1199-S1203 PolarHBondContact O-N 3.17Å; L1199-S1203 PolarHBondContact O-OG 2.79Å; L1199-W1240 HydrophobicContact CD1-CB 4.02Å; L1199-L1241 HydrophobicContact CD1-CD2 4.45Å; L1199-L1241 HydrophobicContact CD2-CD2 4.37Å; L1199-A1244 HydrophobicContact CD2-CB 3.67Å; L1199-A1248 HydrophobicContact CD2-CB 4.06Å; L1199-V1252 HydrophobicContact CD2-CG2 3.87Å; L1199-V1252 HydrophobicContact CG-CG2 4.1Å
1200E82.5Confident78.4Confident95.8 Ų95.858.1 Ų58.145%0.44829%0.289SS..Hα-helixtrans-61.2-50.9173.1-74.1173.4-172.400110.4Q1196 Y1197 W1202 S1203 D1204Q1196-E1200 HydrophobicContact CG-CG 4.42Å; Q1196-E1200 WeakPolarHBondContact CG-OE1 3.34Å; Q1196-E1200 PolarHBondContact NE2-OE1 3.02Å; Q1196-E1200 WeakPolarHBondContact O-CG 3.3Å; Q1196-E1200 PolarHBondContact O-N 3.22Å; Y1197-E1200 PolarHBondContact O-N 3.22Å; E1200-W1202 VanDerWaalsContact C-N 3.34Å; E1200-W1202 PolarHBondContact O-N 3.07Å; E1200-S1203 WeakPolarHBondContact CA-OG 3.41Å; E1200-S1203 WeakPolarHBondContact O-CA 3.48Å; E1200-S1203 PolarHBondContact O-N 2.86Å; E1200-S1203 VanDerWaalsContact O-N 3.08Å; E1200-S1203 PolarHBondContact O-OG 3.09Å; E1200-D1204 PolarHBondContact O-N 3.3Å
1201F81.8Confident77.6Confident40 Ų4054.2 Ų54.218%0.17527%0.27CS..Hα-helixtrans-60.6-39.4176.4-179-102.5000113.2V1175 K1182 Y1197 S1203 D1204 Q1205 Y1251V1175-F1201 HydrophobicContact CG1-CD1 4.4Å; V1175-F1201 HydrophobicContact CG1-CE1 3.85Å; K1182-F1201 HydrophobicContact CD-CD1 4.48Å; K1182-F1201 HydrophobicContact CD-CD2 4.45Å; K1182-F1201 HydrophobicContact CD-CE1 4.42Å; K1182-F1201 HydrophobicContact CD-CE2 4.38Å; K1182-F1201 HydrophobicContact CD-CG 4.48Å; K1182-F1201 HydrophobicContact CD-CZ 4.36Å; K1182-F1201 VanDerWaalsContact NZ-CD2 3.28Å; Y1197-F1201 VanDerWaalsContact O-CB 3.32Å; Y1197-F1201 WeakPolarHBondContact O-CB 3.36Å; Y1197-F1201 PolarHBondContact O-N 3.24Å; F1201-S1203 VanDerWaalsContact C-N 3.32Å; F1201-S1203 PolarHBondContact O-N 2.95Å; F1201-D1204 PolarHBondContact O-N 3.04Å; F1201-Q1205 HydrophobicContact CD1-CG 4.41Å; F1201-Q1205 HydrophobicContact CE1-CG 4.23Å; F1201-Q1205 HydrophobicContact CE2-CG 4.29Å; F1201-Q1205 HydrophobicContact CZ-CG 4.17Å; F1201-Q1205 WeakPolarHBondContact O-CG 3.31Å; F1201-Q1205 PolarHBondContact O-N 2.94Å; F1201-Y1251 HydrophobicContact CD1-CE1 4.37Å; F1201-Y1251 WeakPolarHBondContact CD1-OH 3.37Å; F1201-Y1251 WeakPolarHBondContact CE1-OH 3.3Å
1202W82.7Confident76.5Confident18.2 Ų18.258.3 Ų58.37%0.06928%0.281CS..Hα-helixtrans-61.7-41.9172.8178.9-83.6000111.3L1198 L1199 E1200 D1204 Q1205 I1206 A1248 Y1251 F1286L1198-W1202 VanDerWaalsContact O-CB 3.3Å; L1198-W1202 WeakPolarHBondContact O-CB 3.44Å; L1198-W1202 PolarHBondContact O-N 3.23Å; L1199-W1202 PolarHBondContact O-N 3.18Å; E1200-W1202 VanDerWaalsContact C-N 3.34Å; E1200-W1202 PolarHBondContact O-N 3.07Å; W1202-D1204 VanDerWaalsContact C-N 3.32Å; W1202-D1204 PolarHBondContact O-N 3.27Å; W1202-Q1205 PolarHBondContact O-N 2.94Å; W1202-Q1205 VanDerWaalsContact O-N 3.14Å; W1202-I1206 HydrophobicContact CD2-CD1 4.46Å; W1202-I1206 HydrophobicContact CE3-CD1 4.47Å; W1202-I1206 HydrophobicContact CH2-CD1 3.56Å; W1202-I1206 VanDerWaalsContact CH2-CD1 3.5Å; W1202-I1206 HydrophobicContact CZ2-CB 4.28Å; W1202-I1206 HydrophobicContact CZ2-CD1 3.51Å; W1202-I1206 VanDerWaalsContact CZ2-CD1 3.46Å; W1202-I1206 HydrophobicContact CZ2-CG1 4.44Å; W1202-I1206 HydrophobicContact CZ2-CG2 4.27Å; W1202-I1206 HydrophobicContact CZ3-CD1 4.1Å; W1202-I1206 PolarHBondContact O-N 3.16Å; W1202-A1248 HydrophobicContact CD2-CB 4.28Å; W1202-A1248 HydrophobicContact CG-CB 4.06Å; W1202-Y1251 HydrophobicContact CB-CD1 4.32Å; W1202-Y1251 HydrophobicContact CB-CE1 4.37Å; W1202-Y1251 HydrophobicContact CD2-CD1 4.44Å; W1202-Y1251 HydrophobicContact CD2-CG 4.46Å; W1202-Y1251 AromaticContact CE3-CD1 3.76Å; W1202-Y1251 HydrophobicContact CE3-CD1 3.76Å; W1202-Y1251 AromaticContact CE3-CD2 3.9Å; W1202-Y1251 HydrophobicContact CE3-CD2 3.96Å; W1202-Y1251 HydrophobicContact CE3-CE1 4.4Å; W1202-Y1251 HydrophobicContact CE3-CE2 4.47Å; W1202-Y1251 AromaticContact CE3-CG 3.5Å; W1202-Y1251 HydrophobicContact CE3-CG 3.5Å; W1202-Y1251 VanDerWaalsContact CE3-CG 3.42Å; W1202-Y1251 HydrophobicContact CZ3-CD1 4.47Å; W1202-Y1251 AromaticContact CZ3-CD2 3.96Å; W1202-Y1251 HydrophobicContact CZ3-CD2 4.02Å; W1202-Y1251 AromaticContact CZ3-CG 3.86Å; W1202-Y1251 HydrophobicContact CZ3-CG 3.86Å; W1202-F1286 HydrophobicContact CH2-CE2 4.26Å; W1202-F1286 AromaticContact CH2-CZ 3.94Å; W1202-F1286 HydrophobicContact CH2-CZ 3.97Å; W1202-F1286 HydrophobicContact CZ3-CE2 4.18Å; W1202-F1286 HydrophobicContact CZ3-CZ 4.24Å
1203S79.8Confident74.8Confident64.2 Ų64.257.9 Ų57.945%0.44929%0.292SS..Hα-helixtrans-69-28.5-179.574.60000114.1L1199 E1200 F1201 Q1205L1199-S1203 WeakPolarHBondContact O-CB 3.26Å; L1199-S1203 PolarHBondContact O-N 3.17Å; L1199-S1203 PolarHBondContact O-OG 2.79Å; E1200-S1203 WeakPolarHBondContact CA-OG 3.41Å; E1200-S1203 WeakPolarHBondContact O-CA 3.48Å; E1200-S1203 PolarHBondContact O-N 2.86Å; E1200-S1203 VanDerWaalsContact O-N 3.08Å; E1200-S1203 PolarHBondContact O-OG 3.09Å; F1201-S1203 VanDerWaalsContact C-N 3.32Å; F1201-S1203 PolarHBondContact O-N 2.95Å; S1203-Q1205 VanDerWaalsContact C-N 3.3Å; S1203-Q1205 PolarHBondContact O-N 3.25Å
1204D78.7Confident73.2Confident97.8 Ų97.861 Ų6152%0.52330%0.298SS..Hα-helixtrans-70.2-24.9171.5-85.1-23.8000112.8K1153 P1156 E1200 F1201 W1202K1153-D1204 IonicContact NZ-OD1 2.69Å; K1153-D1204 PolarHBondContact NZ-OD1 2.9Å; K1153-D1204 IonicContact NZ-OD2 2.74Å; P1156-D1204 WeakPolarHBondContact CB-O 3.32Å; E1200-D1204 PolarHBondContact O-N 3.3Å; F1201-D1204 PolarHBondContact O-N 3.04Å; W1202-D1204 VanDerWaalsContact C-N 3.32Å; W1202-D1204 PolarHBondContact O-N 3.27Å
1205Q79.1Confident71.4Confident33 Ų3365.2 Ų65.215%0.15433%0.327CS..Hα-helixtrans-98.7-37.5-178-63.5-64.5-16.600113.3W1137 P1156 Y1157 V1175 F1201 W1202 S1203W1137-Q1205 WeakPolarHBondContact CZ2-O 3.35Å; P1156-Q1205 CarbonylContact C-O 3.55Å; P1156-Q1205 VanDerWaalsContact CA-O 3.28Å; P1156-Q1205 WeakPolarHBondContact CA-O 3.4Å; Y1157-Q1205 PolarHBondContact N-O 3.47Å; V1175-Q1205 HydrophobicContact CG1-CG 4.38Å; V1175-Q1205 HydrophobicContact CG2-CB 4.11Å; V1175-Q1205 HydrophobicContact CG2-CG 4.44Å; F1201-Q1205 HydrophobicContact CD1-CG 4.41Å; F1201-Q1205 HydrophobicContact CE1-CG 4.23Å; F1201-Q1205 HydrophobicContact CE2-CG 4.29Å; F1201-Q1205 HydrophobicContact CZ-CG 4.17Å; F1201-Q1205 WeakPolarHBondContact O-CG 3.31Å; F1201-Q1205 PolarHBondContact O-N 2.94Å; W1202-Q1205 PolarHBondContact O-N 2.94Å; W1202-Q1205 VanDerWaalsContact O-N 3.14Å; S1203-Q1205 VanDerWaalsContact C-N 3.3Å; S1203-Q1205 PolarHBondContact O-N 3.25Å
1206I81Confident69.3Low2.6 Ų2.668.8 Ų68.81%0.01335%0.352CS..EExtended strand (participates in β ladder)trans-134109.1-175.3-64.3171.6000109.3Y1157 T1168 A1171 V1175 W1202 K1208Y1157-I1206 CarbonylContact O-C 3.49Å; Y1157-I1206 WeakPolarHBondContact O-CA 3.44Å; T1168-I1206 HydrophobicContact CG2-CG2 4.05Å; A1171-I1206 HydrophobicContact CB-CD1 3.93Å; A1171-I1206 HydrophobicContact CB-CG1 4.42Å; V1175-I1206 HydrophobicContact CG2-CD1 4.27Å; V1175-I1206 HydrophobicContact CG2-CG1 4.47Å; W1202-I1206 HydrophobicContact CD2-CD1 4.46Å; W1202-I1206 HydrophobicContact CE3-CD1 4.47Å; W1202-I1206 HydrophobicContact CH2-CD1 3.56Å; W1202-I1206 VanDerWaalsContact CH2-CD1 3.5Å; W1202-I1206 HydrophobicContact CZ2-CB 4.28Å; W1202-I1206 HydrophobicContact CZ2-CD1 3.51Å; W1202-I1206 VanDerWaalsContact CZ2-CD1 3.46Å; W1202-I1206 HydrophobicContact CZ2-CG1 4.44Å; W1202-I1206 HydrophobicContact CZ2-CG2 4.27Å; W1202-I1206 HydrophobicContact CZ3-CD1 4.1Å; W1202-I1206 PolarHBondContact O-N 3.16Å; I1206-K1208 PolarHBondContact O-N 3.17Å
1207F80.6Confident67.1Low53.2 Ų53.267 Ų6723%0.23336%0.358CS..EExtended strand (participates in β ladder)trans-89.6107.7-177.4176.4-105.3000111K1125 I1126 P1156 Y1157 P1158 Y1159 W1209K1125-F1207 HydrophobicContact CB-CE1 4.38Å; K1125-F1207 HydrophobicContact CB-CE2 4.33Å; K1125-F1207 HydrophobicContact CB-CZ 3.77Å; K1125-F1207 HydrophobicContact CD-CE2 4.18Å; K1125-F1207 HydrophobicContact CD-CZ 4.2Å; I1126-F1207 HydrophobicContact CG1-CE1 4.38Å; P1156-F1207 HydrophobicContact CB-CB 3.81Å; P1156-F1207 HydrophobicContact CG-CB 3.87Å; Y1157-F1207 PolarHBondContact O-N 3.08Å; P1158-F1207 CarbonylContact C-O 3.47Å; P1158-F1207 WeakPolarHBondContact CA-O 3.42Å; Y1159-F1207 PolarHBondContact N-O 3.13Å; F1207-W1209 HydrophobicContact CD1-CB 4.49Å; F1207-W1209 HydrophobicContact CE1-CB 4.12Å; F1207-W1209 AromaticContact CE1-CD1 3.91Å; F1207-W1209 HydrophobicContact CE1-CG 4.41Å; F1207-W1209 PolarHBondContact O-N 3.06Å
1208K76.1Confident64.9Low80 Ų8066.8 Ų66.835%0.34837%0.368SS..EExtended strand (participates in β ladder)trans-74.9111.1172.3-178179177.9-175.70110.3Y1159 I1206 K1210 N1243 A1244Y1159-K1208 HydrophobicContact CD1-CB 4.11Å; Y1159-K1208 HydrophobicContact CD1-CD 4.36Å; Y1159-K1208 HydrophobicContact CD1-CG 3.96Å; Y1159-K1208 HydrophobicContact CE1-CD 4.26Å; Y1159-K1208 HydrophobicContact CE1-CG 4.31Å; I1206-K1208 PolarHBondContact O-N 3.17Å; K1208-K1210 PolarHBondContact O-N 2.91Å; K1208-N1243 PolarHBondContact NZ-O 3.07Å; K1208-N1243 VanDerWaalsContact NZ-O 3.12Å; K1208-A1244 WeakPolarHBondContact CD-O 3.33Å; K1208-A1244 PolarHBondContact NZ-O 3.09Å
1209W70.6Confident62.7Low25.4 Ų25.471 Ų7110%0.09639%0.394CS..  trans-74.4137.2176-171.141.1000110.8C877 T1052 F1055 P1123 I1126 Y1159 V1160 F1207 T1211 F1212C877-W1209 HydrophobicContact CB-CH2 4.34Å; C877-W1209 HydrophobicContact CB-CZ3 3.91Å; T1052-W1209 HydrophobicContact CG2-CH2 3.83Å; T1052-W1209 HydrophobicContact CG2-CZ3 4.45Å; F1055-W1209 HydrophobicContact CD1-CE3 4.14Å; F1055-W1209 HydrophobicContact CD1-CH2 4.45Å; F1055-W1209 AromaticContact CD1-CZ3 3.84Å; F1055-W1209 HydrophobicContact CD1-CZ3 3.94Å; F1055-W1209 HydrophobicContact CE1-CD2 4.4Å; F1055-W1209 AromaticContact CE1-CE3 3.79Å; F1055-W1209 HydrophobicContact CE1-CE3 4.01Å; F1055-W1209 HydrophobicContact CE1-CZ3 4.16Å; P1123-W1209 HydrophobicContact CB-CH2 4.32Å; P1123-W1209 HydrophobicContact CB-CZ2 3.48Å; P1123-W1209 VanDerWaalsContact CB-CZ2 3.47Å; P1123-W1209 HydrophobicContact CG-CZ2 4.37Å; I1126-W1209 HydrophobicContact CD1-CD2 3.93Å; I1126-W1209 HydrophobicContact CD1-CE3 4.28Å; I1126-W1209 HydrophobicContact CD1-CG 4.1Å; I1126-W1209 HydrophobicContact CD1-CH2 4.45Å; I1126-W1209 HydrophobicContact CD1-CZ2 4.2Å; Y1159-W1209 PolarHBondContact O-N 3.29Å; V1160-W1209 HydrophobicContact CG2-CB 4.31Å; V1160-W1209 HydrophobicContact CG2-CE3 3.85Å; F1207-W1209 HydrophobicContact CD1-CB 4.49Å; F1207-W1209 HydrophobicContact CE1-CB 4.12Å; F1207-W1209 AromaticContact CE1-CD1 3.91Å; F1207-W1209 HydrophobicContact CE1-CG 4.41Å; F1207-W1209 PolarHBondContact O-N 3.06Å; W1209-T1211 HydrophobicContact CE3-CG2 4.47Å; W1209-T1211 PolarHBondContact O-N 3.03Å; W1209-T1211 VanDerWaalsContact O-N 3.15Å; W1209-F1212 HydrophobicContact CZ2-CE2 4.38Å
1210K65.1Low60.7Low185.2 Ų185.274.6 Ų74.681%0.80541%0.406SS*.  trans-81.997.2179.5-71.2-173.6178.4-176.50109.9K1208K1208-K1210 PolarHBondContact O-N 2.91Å
1211T57Low58.4Low49 Ų4975.1 Ų75.130%0.30141%0.409SS..  trans-62.5137.9169.350.50000111.1R876 V1160 W1209 A1213R876-T1211 HydrophobicContact CB-CG2 4.41Å; R876-T1211 VanDerWaalsContact O-CB 3.29Å; R876-T1211 WeakPolarHBondContact O-CB 3.24Å; R876-T1211 VanDerWaalsContact O-CG2 3.27Å; R876-T1211 WeakPolarHBondContact O-CG2 3.27Å; V1160-T1211 HydrophobicContact CG1-CG2 3.93Å; W1209-T1211 HydrophobicContact CE3-CG2 4.47Å; W1209-T1211 PolarHBondContact O-N 3.03Å; W1209-T1211 VanDerWaalsContact O-N 3.15Å; T1211-A1213 PolarHBondContact O-N 3.07Å; T1211-A1213 VanDerWaalsContact O-N 3.1Å
1212F49Very low56.2Low141.2 Ų141.275 Ų7562%0.61941%0.412SS*.  trans-63.251.7172.7-68.8-83.6000111.3C877 P879 W1209 K1214C877-F1212 WeakPolarHBondContact O-CD2 3.33Å; C877-F1212 WeakPolarHBondContact O-CE2 3.48Å; P879-F1212 HydrophobicContact CG-CD1 4.35Å; P879-F1212 HydrophobicContact CG-CD2 4.26Å; P879-F1212 HydrophobicContact CG-CE1 4.11Å; P879-F1212 HydrophobicContact CG-CE2 3.86Å; P879-F1212 HydrophobicContact CG-CG 4.38Å; P879-F1212 HydrophobicContact CG-CZ 3.86Å; W1209-F1212 HydrophobicContact CZ2-CE2 4.38Å; F1212-K1214 VanDerWaalsContact C-N 3.26Å; F1212-K1214 PolarHBondContact O-N 3.3Å; F1212-K1214 VanDerWaalsContact O-N 3.15Å
1213A42.7Very low54Low64 Ų6477.2 Ų77.253%0.52943%0.431SS..  trans-73.5103.8-17600000112T1211 S1215T1211-A1213 PolarHBondContact O-N 3.07Å; T1211-A1213 VanDerWaalsContact O-N 3.1Å; A1213-S1215 PolarHBondContact O-N 3.03Å
1214K43.8Very low52.3Low120.4 Ų120.483 Ų8352%0.52344%0.443SS..  trans-64.6115166.1-72.4176179.8169.80109.4N875 E880 S883 F1212 S1216N875-K1214 WeakPolarHBondContact O-CD 3.47Å; N875-K1214 PolarHBondContact O-NZ 2.87Å; N875-K1214 PolarHBondContact OD1-NZ 3.03Å; E880-K1214 IonicContact OE2-NZ 2.82Å; S883-K1214 PolarHBondContact OG-NZ 3.06Å; F1212-K1214 VanDerWaalsContact C-N 3.26Å; F1212-K1214 PolarHBondContact O-N 3.3Å; F1212-K1214 VanDerWaalsContact O-N 3.15Å; K1214-S1216 VanDerWaalsContact C-N 3.29Å; K1214-S1216 PolarHBondContact O-N 3.24Å
1215S40.6Very low50.8Low96 Ų9682.8 Ų82.867%0.67144%0.437SS*.  trans-77.879.7172.550.40000111.6D622 A1213 G1217D622-S1215 WeakPolarHBondContact CB-OG 3.3Å; D622-S1215 PolarHBondContact OD2-OG 3.48Å; A1213-S1215 PolarHBondContact O-N 3.03Å; S1215-G1217 VanDerWaalsContact C-N 3.32Å; S1215-G1217 PolarHBondContact O-N 3.37Å
1216S35.7Very low49.2Very low76.6 Ų76.684.7 Ų84.754%0.53644%0.443SS..  trans-57.7102159.4130.60000110.1R876 K1214 S1218R876-S1216 PolarHBondContact NH1-OG 3.5Å; R876-S1216 PolarHBondContact NH2-OG 2.89Å; K1214-S1216 VanDerWaalsContact C-N 3.29Å; K1214-S1216 PolarHBondContact O-N 3.24Å; S1216-S1218 PolarHBondContact O-N 3.16Å
1217G35.4Very low47.4Very low53.2 Ų53.291.5 Ų91.555%0.54848%0.48SS..  trans-17.483.3172.600000114.1D626 S1215 V1219D626-G1217 WeakPolarHBondContact OD1-CA 3.49Å; D626-G1217 WeakPolarHBondContact OD2-CA 3.3Å; S1215-G1217 VanDerWaalsContact C-N 3.32Å; S1215-G1217 PolarHBondContact O-N 3.37Å; G1217-V1219 VanDerWaalsContact C-N 3.34Å; G1217-V1219 WeakPolarHBondContact O-CG2 3.42Å; G1217-V1219 PolarHBondContact O-N 3.16Å
1218S36.2Very low45.9Very low75.4 Ų75.494 Ų9453%0.52750%0.495SS..  trans-76.384.4176.5178.80000110.9D626 S1216 Y1220 E1221D626-S1218 PolarHBondContact OD1-N 2.88Å; D626-S1218 PolarHBondContact OD2-N 2.95Å; S1216-S1218 PolarHBondContact O-N 3.16Å; S1218-Y1220 VanDerWaalsContact C-N 3.25Å; S1218-Y1220 CarbonylContact O-C 3.55Å; S1218-Y1220 VanDerWaalsContact O-CD2 3.29Å; S1218-Y1220 WeakPolarHBondContact O-CD2 3.44Å; S1218-Y1220 PolarHBondContact O-N 2.97Å; S1218-Y1220 VanDerWaalsContact O-N 3.09Å; S1218-Y1220 PolarHBondContact OG-O 3.03Å; S1218-Y1220 VanDerWaalsContact OG-O 3.08Å; S1218-E1221 PolarHBondContact O-N 2.97Å; S1218-E1221 VanDerWaalsContact O-N 3.1Å
1219V36.8Very low44.8Very low93.4 Ų93.491.4 Ų91.457%0.56648%0.484SS*.  trans-20.634.3162.5-164.20000112.2G1217 E1221 V1296G1217-V1219 VanDerWaalsContact C-N 3.34Å; G1217-V1219 WeakPolarHBondContact O-CG2 3.42Å; G1217-V1219 PolarHBondContact O-N 3.16Å; V1219-E1221 VanDerWaalsContact C-N 3.29Å; V1219-E1221 HydrophobicContact CG1-CG 4.09Å; V1219-E1221 PolarHBondContact O-N 3.24Å; V1219-V1296 HydrophobicContact CB-CG2 3.98Å; V1219-V1296 HydrophobicContact CG1-CG2 3.46Å
1220Y39.1Very low44.1Very low101.8 Ų101.895 Ų9540%0.39951%0.511SS..  trans-94.972156-66.1-81.6000108.5D1165 S1218 C1222 P1246 S1294 V1296D1165-Y1220 PolarHBondContact OD1-OH 3.08Å; D1165-Y1220 VanDerWaalsContact OD1-OH 3.12Å; S1218-Y1220 VanDerWaalsContact C-N 3.25Å; S1218-Y1220 CarbonylContact O-C 3.55Å; S1218-Y1220 VanDerWaalsContact O-CD2 3.29Å; S1218-Y1220 WeakPolarHBondContact O-CD2 3.44Å; S1218-Y1220 PolarHBondContact O-N 2.97Å; S1218-Y1220 VanDerWaalsContact O-N 3.09Å; S1218-Y1220 PolarHBondContact OG-O 3.03Å; S1218-Y1220 VanDerWaalsContact OG-O 3.08Å; Y1220-C1222 VanDerWaalsContact C-N 3.28Å; Y1220-C1222 PolarHBondContact O-N 3.31Å; Y1220-P1246 HydrophobicContact CD1-CB 3.62Å; Y1220-P1246 VanDerWaalsContact CD1-CB 3.43Å; Y1220-P1246 HydrophobicContact CD1-CG 3.84Å; Y1220-P1246 VanDerWaalsContact CD1-CG 3.46Å; Y1220-P1246 HydrophobicContact CD2-CG 4.04Å; Y1220-P1246 HydrophobicContact CE1-CB 3.71Å; Y1220-P1246 HydrophobicContact CE1-CG 3.55Å; Y1220-P1246 HydrophobicContact CE2-CG 4.16Å; Y1220-P1246 HydrophobicContact CG-CB 3.9Å; Y1220-P1246 HydrophobicContact CG-CG 3.81Å; Y1220-S1294 WeakPolarHBondContact CE1-OG 3.28Å; Y1220-V1296 HydrophobicContact CE1-CB 4.35Å; Y1220-V1296 HydrophobicContact CE1-CG2 3.75Å; Y1220-V1296 WeakPolarHBondContact OH-CG2 3.37Å
1221E34.5Very low43.9Very low106.6 Ų106.688.1 Ų88.150%0.49848%0.482SS..  trans-64.385163.1-112.3-167.6164.400107.9S1218 V1219 S1223 K1295S1218-E1221 PolarHBondContact O-N 2.97Å; S1218-E1221 VanDerWaalsContact O-N 3.1Å; V1219-E1221 VanDerWaalsContact C-N 3.29Å; V1219-E1221 HydrophobicContact CG1-CG 4.09Å; V1219-E1221 PolarHBondContact O-N 3.24Å; E1221-S1223 VanDerWaalsContact C-OG 3.26Å; E1221-S1223 WeakPolarHBondContact CA-OG 3.46Å; E1221-S1223 WeakPolarHBondContact CB-OG 3.32Å; E1221-S1223 WeakPolarHBondContact CG-OG 3.35Å; E1221-S1223 PolarHBondContact O-N 3.07Å; E1221-S1223 PolarHBondContact O-OG 3.31Å; E1221-S1223 WeakPolarHBondContact OE1-CB 3.41Å; E1221-S1223 PolarHBondContact OE1-OG 3.15Å; E1221-S1223 PolarHBondContact OE2-OG 3.41Å; E1221-K1295 WeakPolarHBondContact OE2-CE 3.19Å; E1221-K1295 IonicContact OE2-NZ 3.31Å; E1221-K1295 PolarHBondContact OE2-NZ 2.74Å
1222C35.2Very low44.1Very low37.4 Ų37.486.3 Ų86.325%0.25347%0.47SS..  trans-73.965.3171.6-167.70000108.1Y1220 R1226 E1253Y1220-C1222 VanDerWaalsContact C-N 3.28Å; Y1220-C1222 PolarHBondContact O-N 3.31Å; C1222-R1226 WeakPolarHBondContact O-CD 3.39Å; C1222-R1226 VanDerWaalsContact O-CZ 3.27Å; C1222-R1226 PolarHBondContact O-NE 3.24Å; C1222-R1226 PolarHBondContact O-NH2 2.93Å; C1222-R1226 VanDerWaalsContact SG-CZ 3.57Å; C1222-R1226 PolarHBondContact SG-NE 3.01Å; C1222-R1226 PolarHBondContact SG-NH2 3.02Å; C1222-E1253 PolarHBondContact SG-OE1 2.89Å
1223S37.1Very low44.7Very low65 Ų6584.2 Ų84.246%0.45547%0.465SS..  trans-132.474.1-159.7-60.90000111.5E1221E1221-S1223 VanDerWaalsContact C-OG 3.26Å; E1221-S1223 WeakPolarHBondContact CA-OG 3.46Å; E1221-S1223 WeakPolarHBondContact CB-OG 3.32Å; E1221-S1223 WeakPolarHBondContact CG-OG 3.35Å; E1221-S1223 PolarHBondContact O-N 3.07Å; E1221-S1223 PolarHBondContact O-OG 3.31Å; E1221-S1223 WeakPolarHBondContact OE1-CB 3.41Å; E1221-S1223 PolarHBondContact OE1-OG 3.15Å; E1221-S1223 PolarHBondContact OE2-OG 3.41Å
1224R44.1Very low45.9Very low185.6 Ų185.684.4 Ų84.470%0.746%0.457SS*.SBendtrans-171-16.7166.4-85.3176.9177.5-165.8-3.8117.4N1356 D1360R1224-N1356 PolarHBondContact NH2-OD1 2.78Å; R1224-D1360 IonicContact NH1-OD1 2.95Å; R1224-D1360 PolarHBondContact NH1-OD1 3.11Å; R1224-D1360 IonicContact NH1-OD2 3.43Å; R1224-D1360 IonicContact NH2-OD1 3.89Å; R1224-D1360 IonicContact NH2-OD2 3.03Å
1225K47.6Very low47.2Very low94 Ų9484.7 Ų84.741%0.40946%0.461SS..SBendtrans-132.837.7176.1-65.3-169176.7-177.60113.8R1289 D1352K1225-R1289 PolarHBondContact O-NH2 2.8Å; K1225-D1352 WeakPolarHBondContact CE-OD1 3.36Å; K1225-D1352 VanDerWaalsContact NZ-CG 3.28Å; K1225-D1352 IonicContact NZ-OD1 3.37Å; K1225-D1352 PolarHBondContact NZ-OD1 3.15Å; K1225-D1352 IonicContact NZ-OD2 3.04Å; K1225-D1352 PolarHBondContact NZ-OD2 3.27Å
1226R44.9Very low48.7Very low73 Ų7385.4 Ų85.428%0.27545%0.454SS..  trans-83.6-20.3179.4-80.4-170.4-173.9174.41114.3C1222 D1228 F1229 F1232C1222-R1226 WeakPolarHBondContact O-CD 3.39Å; C1222-R1226 VanDerWaalsContact O-CZ 3.27Å; C1222-R1226 PolarHBondContact O-NE 3.24Å; C1222-R1226 PolarHBondContact O-NH2 2.93Å; C1222-R1226 VanDerWaalsContact SG-CZ 3.57Å; C1222-R1226 PolarHBondContact SG-NE 3.01Å; C1222-R1226 PolarHBondContact SG-NH2 3.02Å; R1226-D1228 VanDerWaalsContact C-N 3.31Å; R1226-D1228 PolarHBondContact O-N 3.16Å; R1226-D1228 VanDerWaalsContact O-N 3.13Å; R1226-F1229 PolarHBondContact O-N 3.34Å; R1226-F1229 VanDerWaalsContact O-N 3.12Å; R1226-F1232 PolarHBondContact NH1-O 3.16Å
1227D43.6Very low50.4Low146 Ų14681.9 Ų81.978%0.78143%0.429SS*.THydrogen-bonded Turntrans-72.6-12.7-171.2-55.2-38.3000113.6F1229D1227-F1229 VanDerWaalsContact C-N 3.28Å; D1227-F1229 PolarHBondContact O-N 2.97Å
1228D48.4Very low52.2Low104.8 Ų104.881.7 Ų81.756%0.5641%0.413SS*.THydrogen-bonded Turntrans-68.2-19.2176.1-67.5-20.1000113.7R1226 P1230 R1289R1226-D1228 VanDerWaalsContact C-N 3.31Å; R1226-D1228 PolarHBondContact O-N 3.16Å; R1226-D1228 VanDerWaalsContact O-N 3.13Å; D1228-P1230 WeakPolarHBondContact O-CD 3.46Å; D1228-R1289 IonicContact OD2-CZ 3.01Å; D1228-R1289 IonicContact OD2-NH1 2.88Å; D1228-R1289 PolarHBondContact OD2-NH1 3.36Å; D1228-R1289 IonicContact OD2-NH2 3.24Å; D1228-R1289 PolarHBondContact OD2-NH2 2.68Å
1229F53.6Low53.9Low25.4 Ų25.483.1 Ų83.111%0.11141%0.411CS..  trans-130.7105.7-176.2-64.3-76.2000112R1226 D1227 I1231 F1232 L1256 T1257 T1260 R1289R1226-F1229 PolarHBondContact O-N 3.34Å; R1226-F1229 VanDerWaalsContact O-N 3.12Å; D1227-F1229 VanDerWaalsContact C-N 3.28Å; D1227-F1229 PolarHBondContact O-N 2.97Å; F1229-I1231 HydrophobicContact CB-CG2 4.45Å; F1229-I1231 PolarHBondContact O-N 3.09Å; F1229-F1232 HydrophobicContact CB-CD2 3.64Å; F1229-F1232 HydrophobicContact CB-CE2 3.78Å; F1229-F1232 VanDerWaalsContact CB-CE2 3.42Å; F1229-F1232 HydrophobicContact CB-CG 4.3Å; F1229-F1232 HydrophobicContact CB-CZ 4.17Å; F1229-F1232 HydrophobicContact CD2-CD2 4.13Å; F1229-F1232 AromaticContact CD2-CE2 3.63Å; F1229-F1232 HydrophobicContact CD2-CE2 3.81Å; F1229-F1232 HydrophobicContact CD2-CZ 4.48Å; F1229-F1232 HydrophobicContact CE2-CE2 4.4Å; F1229-F1232 HydrophobicContact CG-CD2 4.3Å; F1229-F1232 AromaticContact CG-CE2 3.77Å; F1229-F1232 HydrophobicContact CG-CE2 4.06Å; F1229-F1232 HydrophobicContact CG-CZ 4.35Å; F1229-F1232 PolarHBondContact O-N 3.04Å; F1229-F1232 VanDerWaalsContact O-N 3.15Å; F1229-L1256 HydrophobicContact CB-CD2 4.09Å; F1229-L1256 HydrophobicContact CD1-CB 4.38Å; F1229-L1256 HydrophobicContact CD1-CD2 3.44Å; F1229-L1256 VanDerWaalsContact CD1-CD2 3.44Å; F1229-L1256 HydrophobicContact CD1-CG 3.65Å; F1229-L1256 HydrophobicContact CD2-CD2 4.44Å; F1229-L1256 HydrophobicContact CE1-CB 4.19Å; F1229-L1256 HydrophobicContact CE1-CD2 4.03Å; F1229-L1256 HydrophobicContact CE1-CG 3.73Å; F1229-L1256 HydrophobicContact CG-CD2 3.78Å; F1229-L1256 HydrophobicContact CG-CG 4.4Å; F1229-T1257 HydrophobicContact CD1-CG2 4.11Å; F1229-T1257 HydrophobicContact CE1-CG2 3.67Å; F1229-T1257 VanDerWaalsContact CE1-CG2 3.45Å; F1229-T1257 HydrophobicContact CE2-CG2 3.82Å; F1229-T1257 WeakPolarHBondContact CE2-OG1 3.33Å; F1229-T1257 HydrophobicContact CZ-CG2 3.93Å; F1229-T1257 VanDerWaalsContact CZ-OG1 3.31Å; F1229-T1257 WeakPolarHBondContact CZ-OG1 3.35Å; F1229-T1260 HydrophobicContact CD1-CG2 4.28Å; F1229-T1260 HydrophobicContact CE1-CG2 3.85Å; F1229-T1260 VanDerWaalsContact CE1-OG1 3.28Å; F1229-T1260 WeakPolarHBondContact CE1-OG1 3.38Å; F1229-R1289 VanDerWaalsContact CE2-NH2 3.34Å
1230P56.9Low55.8Low101.2 Ų101.282.8 Ų82.866%0.65740%0.4SS*.G310 helixtrans-63.5-15.9-17625-34.4000114D1228 F1232 N1233D1228-P1230 WeakPolarHBondContact O-CD 3.46Å; P1230-F1232 VanDerWaalsContact C-N 3.29Å; P1230-F1232 PolarHBondContact O-N 3.09Å; P1230-N1233 WeakPolarHBondContact O-CB 3.34Å; P1230-N1233 PolarHBondContact O-N 3.14Å; P1230-N1233 PolarHBondContact O-ND2 3.23Å
1231I60.1Low57.4Low40.4 Ų40.478.4 Ų78.421%0.20738%0.383CS..G310 helixtrans-70.6-25.6-180-68.9154000112.3S1191 K1192 F1229 N1233 D1234 V1237 L1256 T1260S1191-I1231 WeakPolarHBondContact OG-CD1 3.4Å; S1191-I1231 WeakPolarHBondContact OG-CG1 3.4Å; K1192-I1231 HydrophobicContact CB-CD1 3.9Å; K1192-I1231 VanDerWaalsContact N-CD1 3.33Å; F1229-I1231 HydrophobicContact CB-CG2 4.45Å; F1229-I1231 PolarHBondContact O-N 3.09Å; I1231-N1233 PolarHBondContact O-N 3.25Å; I1231-N1233 VanDerWaalsContact O-N 3.15Å; I1231-D1234 WeakPolarHBondContact O-CB 3.47Å; I1231-D1234 PolarHBondContact O-N 2.81Å; I1231-D1234 VanDerWaalsContact O-N 3.08Å; I1231-V1237 HydrophobicContact CG1-CG1 4.43Å; I1231-V1237 HydrophobicContact CG1-CG2 4.11Å; I1231-V1237 HydrophobicContact CG2-CG1 4.49Å; I1231-V1237 HydrophobicContact CG2-CG2 4.33Å; I1231-L1256 HydrophobicContact CB-CD2 4.18Å; I1231-L1256 HydrophobicContact CD1-CD1 4.18Å; I1231-L1256 HydrophobicContact CD1-CD2 3.87Å; I1231-L1256 HydrophobicContact CD1-CG 4.06Å; I1231-L1256 HydrophobicContact CG2-CD1 4.5Å; I1231-L1256 HydrophobicContact CG2-CD2 4.03Å; I1231-L1256 HydrophobicContact CG2-CG 4.44Å; I1231-T1260 HydrophobicContact CD1-CG2 3.39Å
1232F61.2Low59.1Low11.8 Ų11.878.9 Ų78.95%0.05239%0.385CS..G310 helixtrans-82.98.1178.5-59.9-50.4000114V1195 R1226 F1229 P1230 D1234 V1237 K1238 L1241 V1252 E1253 L1256V1195-F1232 HydrophobicContact CG2-CE1 4.32Å; R1226-F1232 PolarHBondContact NH1-O 3.16Å; F1229-F1232 HydrophobicContact CB-CD2 3.64Å; F1229-F1232 HydrophobicContact CB-CE2 3.78Å; F1229-F1232 VanDerWaalsContact CB-CE2 3.42Å; F1229-F1232 HydrophobicContact CB-CG 4.3Å; F1229-F1232 HydrophobicContact CB-CZ 4.17Å; F1229-F1232 HydrophobicContact CD2-CD2 4.13Å; F1229-F1232 AromaticContact CD2-CE2 3.63Å; F1229-F1232 HydrophobicContact CD2-CE2 3.81Å; F1229-F1232 HydrophobicContact CD2-CZ 4.48Å; F1229-F1232 HydrophobicContact CE2-CE2 4.4Å; F1229-F1232 HydrophobicContact CG-CD2 4.3Å; F1229-F1232 AromaticContact CG-CE2 3.77Å; F1229-F1232 HydrophobicContact CG-CE2 4.06Å; F1229-F1232 HydrophobicContact CG-CZ 4.35Å; F1229-F1232 PolarHBondContact O-N 3.04Å; F1229-F1232 VanDerWaalsContact O-N 3.15Å; P1230-F1232 VanDerWaalsContact C-N 3.29Å; P1230-F1232 PolarHBondContact O-N 3.09Å; F1232-D1234 VanDerWaalsContact C-N 3.32Å; F1232-D1234 PolarHBondContact O-N 3.03Å; F1232-V1237 HydrophobicContact CD1-CG1 4.15Å; F1232-V1237 HydrophobicContact CE1-CG1 4.24Å; F1232-K1238 WeakPolarHBondContact O-CE 3.3Å; F1232-K1238 VanDerWaalsContact O-CG 3.3Å; F1232-K1238 WeakPolarHBondContact O-CG 3.39Å; F1232-L1241 HydrophobicContact CB-CD1 4.45Å; F1232-L1241 HydrophobicContact CD1-CD1 3.62Å; F1232-L1241 VanDerWaalsContact CD1-CD1 3.46Å; F1232-L1241 HydrophobicContact CE1-CD1 3.76Å; F1232-L1241 HydrophobicContact CG-CD1 4.28Å; F1232-L1241 HydrophobicContact CZ-CD1 4.42Å; F1232-V1252 HydrophobicContact CE1-CG1 4.16Å; F1232-V1252 HydrophobicContact CZ-CG1 4.14Å; F1232-E1253 HydrophobicContact CD2-CG 4.37Å; F1232-E1253 HydrophobicContact CE1-CG 4.45Å; F1232-E1253 HydrophobicContact CE2-CG 3.88Å; F1232-E1253 HydrophobicContact CZ-CB 4.43Å; F1232-E1253 HydrophobicContact CZ-CG 3.83Å; F1232-L1256 HydrophobicContact CE1-CD2 4.14Å; F1232-L1256 HydrophobicContact CE2-CD2 4.16Å; F1232-L1256 HydrophobicContact CZ-CD2 3.62Å; F1232-L1256 VanDerWaalsContact CZ-CD2 3.49Å
1233N61.9Low60.7Low95.2 Ų95.281.8 Ų81.851%0.50940%0.398SS..G310 helixtrans-86.8-12.7174.3-66.2-28000113.1P1230 I1231 E1235 K1238P1230-N1233 WeakPolarHBondContact O-CB 3.34Å; P1230-N1233 PolarHBondContact O-N 3.14Å; P1230-N1233 PolarHBondContact O-ND2 3.23Å; I1231-N1233 PolarHBondContact O-N 3.25Å; I1231-N1233 VanDerWaalsContact O-N 3.15Å; N1233-E1235 PolarHBondContact O-N 3.1Å; N1233-K1238 VanDerWaalsContact C-CE 3.42Å; N1233-K1238 VanDerWaalsContact CA-CE 3.49Å; N1233-K1238 WeakPolarHBondContact O-CE 3.49Å; N1233-K1238 PolarHBondContact O-NZ 3.02Å
1234D67.5Low62.3Low68.6 Ų68.680 Ų8037%0.36739%0.388SS..SBendtrans-70.4122.2172.1-96.2-18.8000110.9K1192 I1231 F1232 E1236 V1237 K1238K1192-D1234 WeakPolarHBondContact CE-OD2 3.41Å; K1192-D1234 IonicContact NZ-OD1 3.83Å; K1192-D1234 PolarHBondContact NZ-OD1 2.88Å; K1192-D1234 IonicContact NZ-OD2 3.66Å; K1192-D1234 PolarHBondContact NZ-OD2 3.05Å; I1231-D1234 WeakPolarHBondContact O-CB 3.47Å; I1231-D1234 PolarHBondContact O-N 2.81Å; I1231-D1234 VanDerWaalsContact O-N 3.08Å; F1232-D1234 VanDerWaalsContact C-N 3.32Å; F1232-D1234 PolarHBondContact O-N 3.03Å; D1234-E1236 VanDerWaalsContact C-N 3.29Å; D1234-E1236 PolarHBondContact O-N 3.04Å; D1234-E1236 WeakPolarHBondContact OD1-CB 3.34Å; D1234-E1236 PolarHBondContact OD1-N 2.76Å; D1234-V1237 HydrophobicContact CB-CB 4.2Å; D1234-V1237 HydrophobicContact CB-CG2 3.98Å; D1234-V1237 PolarHBondContact O-N 3.11Å; D1234-V1237 VanDerWaalsContact O-N 3.1Å; D1234-K1238 VanDerWaalsContact O-CB 3.24Å; D1234-K1238 WeakPolarHBondContact O-CB 3.29Å; D1234-K1238 WeakPolarHBondContact O-CG 3.38Å; D1234-K1238 PolarHBondContact O-N 3.19Å
1235E70.3Confident63.7Low128 Ų12871.6 Ų71.660%0.59836%0.359SS*.Hα-helixtrans-60.4-33.1-177.5-69.3-60142.400113.5N1233 K1238 H1239N1233-E1235 PolarHBondContact O-N 3.1Å; E1235-K1238 PolarHBondContact O-N 3.27Å; E1235-K1238 IonicContact OE1-NZ 2.99Å; E1235-K1238 PolarHBondContact OE1-NZ 3.23Å; E1235-K1238 WeakPolarHBondContact OE2-CD 3.45Å; E1235-K1238 WeakPolarHBondContact OE2-CE 3.24Å; E1235-K1238 IonicContact OE2-NZ 3.04Å; E1235-K1238 PolarHBondContact OE2-NZ 3.07Å; E1235-H1239 VanDerWaalsContact O-CB 3.24Å; E1235-H1239 WeakPolarHBondContact O-CB 3.43Å; E1235-H1239 PolarHBondContact O-N 2.93Å
1236E72.7Confident65Low111 Ų11168.4 Ų68.452%0.51935%0.347SS..Hα-helixtrans-64.7-45.8175.5-64.3179.4157.500111.6K1192 D1234 K1238 H1239 W1240K1192-E1236 VanDerWaalsContact CE-OE2 3.28Å; K1192-E1236 WeakPolarHBondContact CE-OE2 3.3Å; K1192-E1236 IonicContact NZ-OE2 3.23Å; K1192-E1236 PolarHBondContact NZ-OE2 3.19Å; D1234-E1236 VanDerWaalsContact C-N 3.29Å; D1234-E1236 PolarHBondContact O-N 3.04Å; D1234-E1236 WeakPolarHBondContact OD1-CB 3.34Å; D1234-E1236 PolarHBondContact OD1-N 2.76Å; E1236-K1238 PolarHBondContact O-N 3.32Å; E1236-H1239 WeakPolarHBondContact O-CB 3.5Å; E1236-H1239 PolarHBondContact O-N 3.12Å; E1236-W1240 HydrophobicContact CB-CZ2 4.34Å; E1236-W1240 VanDerWaalsContact O-CG 3.26Å; E1236-W1240 PolarHBondContact O-N 3.24Å
1237V72.1Confident66.7Low2 Ų265.2 Ų65.21%0.01234%0.335CS..Hα-helixtrans-66.7-42179.4177.40000110.2K1192 V1195 I1231 F1232 D1234 H1239 W1240 L1241K1192-V1237 HydrophobicContact CD-CG2 4.14Å; K1192-V1237 HydrophobicContact CG-CG2 4.15Å; V1195-V1237 HydrophobicContact CG1-CG1 4.24Å; V1195-V1237 HydrophobicContact CG2-CG1 4.28Å; I1231-V1237 HydrophobicContact CG1-CG1 4.43Å; I1231-V1237 HydrophobicContact CG1-CG2 4.11Å; I1231-V1237 HydrophobicContact CG2-CG1 4.49Å; I1231-V1237 HydrophobicContact CG2-CG2 4.33Å; F1232-V1237 HydrophobicContact CD1-CG1 4.15Å; F1232-V1237 HydrophobicContact CE1-CG1 4.24Å; D1234-V1237 HydrophobicContact CB-CB 4.2Å; D1234-V1237 HydrophobicContact CB-CG2 3.98Å; D1234-V1237 PolarHBondContact O-N 3.11Å; D1234-V1237 VanDerWaalsContact O-N 3.1Å; V1237-H1239 VanDerWaalsContact C-N 3.32Å; V1237-H1239 PolarHBondContact O-N 2.98Å; V1237-W1240 HydrophobicContact CG2-CE3 4.32Å; V1237-W1240 HydrophobicContact CG2-CZ3 4.29Å; V1237-W1240 PolarHBondContact O-N 3.16Å; V1237-L1241 HydrophobicContact CG1-CD1 3.84Å; V1237-L1241 HydrophobicContact CG1-CG 4.42Å; V1237-L1241 WeakPolarHBondContact O-CB 3.4Å; V1237-L1241 WeakPolarHBondContact O-CD1 3.14Å; V1237-L1241 VanDerWaalsContact O-CG 3.26Å; V1237-L1241 WeakPolarHBondContact O-CG 3.36Å; V1237-L1241 PolarHBondContact O-N 2.98Å
1238K72.2Confident68.5Low48.6 Ų48.658.3 Ų58.321%0.21130%0.299CS..Hα-helixtrans-57.6-43.9172.3-107.8179.7-176.2-175.10111.5F1232 N1233 D1234 E1235 E1236 L1241 Q1242F1232-K1238 WeakPolarHBondContact O-CE 3.3Å; F1232-K1238 VanDerWaalsContact O-CG 3.3Å; F1232-K1238 WeakPolarHBondContact O-CG 3.39Å; N1233-K1238 VanDerWaalsContact C-CE 3.42Å; N1233-K1238 VanDerWaalsContact CA-CE 3.49Å; N1233-K1238 WeakPolarHBondContact O-CE 3.49Å; N1233-K1238 PolarHBondContact O-NZ 3.02Å; D1234-K1238 VanDerWaalsContact O-CB 3.24Å; D1234-K1238 WeakPolarHBondContact O-CB 3.29Å; D1234-K1238 WeakPolarHBondContact O-CG 3.38Å; D1234-K1238 PolarHBondContact O-N 3.19Å; E1235-K1238 PolarHBondContact O-N 3.27Å; E1235-K1238 IonicContact OE1-NZ 2.99Å; E1235-K1238 PolarHBondContact OE1-NZ 3.23Å; E1235-K1238 WeakPolarHBondContact OE2-CD 3.45Å; E1235-K1238 WeakPolarHBondContact OE2-CE 3.24Å; E1235-K1238 IonicContact OE2-NZ 3.04Å; E1235-K1238 PolarHBondContact OE2-NZ 3.07Å; E1236-K1238 PolarHBondContact O-N 3.32Å; K1238-L1241 PolarHBondContact O-N 3.08Å; K1238-Q1242 WeakPolarHBondContact O-CB 3.39Å; K1238-Q1242 VanDerWaalsContact O-CG 3.27Å; K1238-Q1242 WeakPolarHBondContact O-CG 3.37Å; K1238-Q1242 PolarHBondContact O-N 3.14Å
1239H73.3Confident70Confident105.6 Ų105.653.9 Ų53.949%0.48928%0.276SS..Hα-helixtrans-66.7-42.1177.5178.1-111000112.3E1235 E1236 V1237 L1241 Q1242 N1243E1235-H1239 VanDerWaalsContact O-CB 3.24Å; E1235-H1239 WeakPolarHBondContact O-CB 3.43Å; E1235-H1239 PolarHBondContact O-N 2.93Å; E1236-H1239 WeakPolarHBondContact O-CB 3.5Å; E1236-H1239 PolarHBondContact O-N 3.12Å; V1237-H1239 VanDerWaalsContact C-N 3.32Å; V1237-H1239 PolarHBondContact O-N 2.98Å; H1239-L1241 PolarHBondContact O-N 3.12Å; H1239-Q1242 PolarHBondContact O-N 2.95Å; H1239-N1243 PolarHBondContact CD2-ND2 3.1Å; H1239-N1243 VanDerWaalsContact CD2-ND2 3.27Å; H1239-N1243 PolarHBondContact CE1-ND2 2.88Å; H1239-N1243 VanDerWaalsContact CE1-ND2 3.27Å; H1239-N1243 PolarHBondContact ND1-ND2 3.18Å; H1239-N1243 PolarHBondContact NE2-ND2 3.11Å; H1239-N1243 VanDerWaalsContact NE2-ND2 3.19Å; H1239-N1243 WeakPolarHBondContact O-CB 3.21Å; H1239-N1243 VanDerWaalsContact O-CG 3.27Å; H1239-N1243 PolarHBondContact O-N 3.23Å; H1239-N1243 VanDerWaalsContact O-N 3.1Å; H1239-N1243 PolarHBondContact O-ND2 3.25Å; H1239-N1243 VanDerWaalsContact O-ND2 3.1Å
1240W75.3Confident71.1Confident86.4 Ų86.452.7 Ų52.733%0.32727%0.27SS..Hα-helixtrans-60.1-46.6174.1-62.4-20.4000111.9K1192 V1195 Q1196 L1199 E1236 V1237 N1243 A1244K1192-W1240 HydrophobicContact CG-CH2 4.19Å; K1192-W1240 HydrophobicContact CG-CZ3 4.01Å; V1195-W1240 HydrophobicContact CG1-CE3 4.35Å; Q1196-W1240 HydrophobicContact CB-CZ3 4.34Å; L1199-W1240 HydrophobicContact CD1-CB 4.02Å; E1236-W1240 HydrophobicContact CB-CZ2 4.34Å; E1236-W1240 VanDerWaalsContact O-CG 3.26Å; E1236-W1240 PolarHBondContact O-N 3.24Å; V1237-W1240 HydrophobicContact CG2-CE3 4.32Å; V1237-W1240 HydrophobicContact CG2-CZ3 4.29Å; V1237-W1240 PolarHBondContact O-N 3.16Å; W1240-N1243 PolarHBondContact O-N 3.21Å; W1240-A1244 WeakPolarHBondContact O-CB 3.35Å; W1240-A1244 PolarHBondContact O-N 3.14Å
1241L72.7Confident72.4Confident9.2 Ų9.247.8 Ų47.85%0.04824%0.239CC..Hα-helixtrans-64.1-46.1178.9-70.7169000111.9L1199 F1232 V1237 K1238 H1239 N1243 A1244 G1245 C1249 V1252L1199-L1241 HydrophobicContact CD1-CD2 4.45Å; L1199-L1241 HydrophobicContact CD2-CD2 4.37Å; F1232-L1241 HydrophobicContact CB-CD1 4.45Å; F1232-L1241 HydrophobicContact CD1-CD1 3.62Å; F1232-L1241 VanDerWaalsContact CD1-CD1 3.46Å; F1232-L1241 HydrophobicContact CE1-CD1 3.76Å; F1232-L1241 HydrophobicContact CG-CD1 4.28Å; F1232-L1241 HydrophobicContact CZ-CD1 4.42Å; V1237-L1241 HydrophobicContact CG1-CD1 3.84Å; V1237-L1241 HydrophobicContact CG1-CG 4.42Å; V1237-L1241 WeakPolarHBondContact O-CB 3.4Å; V1237-L1241 WeakPolarHBondContact O-CD1 3.14Å; V1237-L1241 VanDerWaalsContact O-CG 3.26Å; V1237-L1241 WeakPolarHBondContact O-CG 3.36Å; V1237-L1241 PolarHBondContact O-N 2.98Å; K1238-L1241 PolarHBondContact O-N 3.08Å; H1239-L1241 PolarHBondContact O-N 3.12Å; L1241-N1243 VanDerWaalsContact C-N 3.3Å; L1241-N1243 PolarHBondContact O-N 3.01Å; L1241-N1243 VanDerWaalsContact O-N 3.15Å; L1241-A1244 PolarHBondContact O-N 3.24Å; L1241-A1244 VanDerWaalsContact O-N 3.11Å; L1241-G1245 PolarHBondContact O-N 3.18Å; L1241-G1245 VanDerWaalsContact O-N 3.14Å; L1241-C1249 VanDerWaalsContact C-SG 3.55Å; L1241-C1249 HydrophobicContact CD2-CB 4.36Å; L1241-C1249 PolarHBondContact O-SG 2.95Å; L1241-V1252 HydrophobicContact CD2-CB 4.23Å; L1241-V1252 HydrophobicContact CD2-CG1 4.29Å; L1241-V1252 HydrophobicContact CD2-CG2 4.38Å
1242Q70Confident73.4Confident118.2 Ų118.245.9 Ų45.955%0.55223%0.229SC*.Hα-helixtrans-56.2-40.5175.1-76.61735.600112.3K1238 H1239K1238-Q1242 WeakPolarHBondContact O-CB 3.39Å; K1238-Q1242 VanDerWaalsContact O-CG 3.27Å; K1238-Q1242 WeakPolarHBondContact O-CG 3.37Å; K1238-Q1242 PolarHBondContact O-N 3.14Å; H1239-Q1242 PolarHBondContact O-N 2.95Å
1243N70.1Confident74.2Confident97.4 Ų97.446.3 Ų46.352%0.52123%0.231SC..Hα-helixtrans-72.2-37.1178-74-47.8000113.1K1208 H1239 W1240 L1241 G1245K1208-N1243 PolarHBondContact NZ-O 3.07Å; K1208-N1243 VanDerWaalsContact NZ-O 3.12Å; H1239-N1243 PolarHBondContact CD2-ND2 3.1Å; H1239-N1243 VanDerWaalsContact CD2-ND2 3.27Å; H1239-N1243 PolarHBondContact CE1-ND2 2.88Å; H1239-N1243 VanDerWaalsContact CE1-ND2 3.27Å; H1239-N1243 PolarHBondContact ND1-ND2 3.18Å; H1239-N1243 PolarHBondContact NE2-ND2 3.11Å; H1239-N1243 VanDerWaalsContact NE2-ND2 3.19Å; H1239-N1243 WeakPolarHBondContact O-CB 3.21Å; H1239-N1243 VanDerWaalsContact O-CG 3.27Å; H1239-N1243 PolarHBondContact O-N 3.23Å; H1239-N1243 VanDerWaalsContact O-N 3.1Å; H1239-N1243 PolarHBondContact O-ND2 3.25Å; H1239-N1243 VanDerWaalsContact O-ND2 3.1Å; W1240-N1243 PolarHBondContact O-N 3.21Å; L1241-N1243 VanDerWaalsContact C-N 3.3Å; L1241-N1243 PolarHBondContact O-N 3.01Å; L1241-N1243 VanDerWaalsContact O-N 3.15Å; N1243-G1245 VanDerWaalsContact C-N 3.34Å; N1243-G1245 PolarHBondContact O-N 3.4Å
1244A69.9Low74.9Confident28.4 Ų28.441.8 Ų41.824%0.23521%0.207CC..Hα-helixtrans-66-41.6178.500000112L1199 K1208 W1240 L1241 A1248L1199-A1244 HydrophobicContact CD2-CB 3.67Å; K1208-A1244 WeakPolarHBondContact CD-O 3.33Å; K1208-A1244 PolarHBondContact NZ-O 3.09Å; W1240-A1244 WeakPolarHBondContact O-CB 3.35Å; W1240-A1244 PolarHBondContact O-N 3.14Å; L1241-A1244 PolarHBondContact O-N 3.24Å; L1241-A1244 VanDerWaalsContact O-N 3.11Å; A1244-A1248 HydrophobicContact CB-CB 3.68Å
1245G73.6Confident75.5Confident9 Ų938.5 Ų38.59%0.09319%0.19CC..  trans95.2172.6177.900000114L1241 N1243 Y1247 A1248 C1249L1241-G1245 PolarHBondContact O-N 3.18Å; L1241-G1245 VanDerWaalsContact O-N 3.14Å; N1243-G1245 VanDerWaalsContact C-N 3.34Å; N1243-G1245 PolarHBondContact O-N 3.4Å; G1245-Y1247 PolarHBondContact O-N 3.24Å; G1245-A1248 WeakPolarHBondContact O-CB 3.35Å; G1245-A1248 PolarHBondContact O-N 3.01Å; G1245-A1248 VanDerWaalsContact O-N 3.11Å; G1245-C1249 PolarHBondContact O-N 3.1Å; G1245-C1249 PolarHBondContact O-SG 3.06Å
1246P75.1Confident75.8Confident25.6 Ų25.633.4 Ų33.417%0.16617%0.166CC..Hα-helixtrans-61.3-39.8-157.923.2-35.3000114.4Y1220 C1249 S1250Y1220-P1246 HydrophobicContact CD1-CB 3.62Å; Y1220-P1246 VanDerWaalsContact CD1-CB 3.43Å; Y1220-P1246 HydrophobicContact CD1-CG 3.84Å; Y1220-P1246 VanDerWaalsContact CD1-CG 3.46Å; Y1220-P1246 HydrophobicContact CD2-CG 4.04Å; Y1220-P1246 HydrophobicContact CE1-CB 3.71Å; Y1220-P1246 HydrophobicContact CE1-CG 3.55Å; Y1220-P1246 HydrophobicContact CE2-CG 4.16Å; Y1220-P1246 HydrophobicContact CG-CB 3.9Å; Y1220-P1246 HydrophobicContact CG-CG 3.81Å; P1246-C1249 PolarHBondContact O-N 3.08Å; P1246-S1250 WeakPolarHBondContact O-CB 3.36Å; P1246-S1250 PolarHBondContact O-N 3.1Å; P1246-S1250 PolarHBondContact O-OG 3.25Å
1247Y80.8Confident75.7Confident6.2 Ų6.228.7 Ų28.72%0.02415%0.145CC..Hα-helixtrans-66.1-43.7179.2-57.8-81.6000112.3Y1159 D1165 T1168 A1169 G1245 C1249 S1250 Y1251 F1286 L1290 F1297Y1159-Y1247 HydrophobicContact CD2-CE2 4.35Å; Y1159-Y1247 AromaticContact CE1-CD2 3.89Å; Y1159-Y1247 HydrophobicContact CE1-CD2 3.99Å; Y1159-Y1247 HydrophobicContact CE1-CE2 4.27Å; Y1159-Y1247 HydrophobicContact CE2-CD2 4.27Å; Y1159-Y1247 AromaticContact CE2-CE2 3.78Å; Y1159-Y1247 HydrophobicContact CE2-CE2 3.84Å; Y1159-Y1247 AromaticContact CZ-CD2 3.75Å; Y1159-Y1247 AromaticContact CZ-CE2 3.56Å; Y1159-Y1247 VanDerWaalsContact CZ-CE2 3.43Å; Y1159-Y1247 VanDerWaalsContact OH-CE2 3.29Å; Y1159-Y1247 WeakPolarHBondContact OH-CE2 3.47Å; D1165-Y1247 WeakPolarHBondContact CA-OH 3.3Å; D1165-Y1247 VanDerWaalsContact CB-OH 3.25Å; D1165-Y1247 WeakPolarHBondContact CB-OH 3.44Å; D1165-Y1247 VanDerWaalsContact CG-OH 3.24Å; D1165-Y1247 PolarHBondContact O-OH 3.18Å; D1165-Y1247 WeakPolarHBondContact OD1-CE2 3.43Å; D1165-Y1247 PolarHBondContact OD1-OH 2.88Å; T1168-Y1247 HydrophobicContact CG2-CD1 4.26Å; T1168-Y1247 HydrophobicContact CG2-CD2 4.07Å; T1168-Y1247 HydrophobicContact CG2-CE2 4.07Å; T1168-Y1247 HydrophobicContact CG2-CG 4.13Å; A1169-Y1247 HydrophobicContact CB-CD1 4.47Å; A1169-Y1247 HydrophobicContact CB-CE1 3.98Å; G1245-Y1247 PolarHBondContact O-N 3.24Å; Y1247-C1249 VanDerWaalsContact C-N 3.34Å; Y1247-C1249 PolarHBondContact O-N 2.9Å; Y1247-S1250 PolarHBondContact O-N 3.19Å; Y1247-S1250 PolarHBondContact O-OG 3.21Å; Y1247-S1250 VanDerWaalsContact O-OG 3.06Å; Y1247-Y1251 WeakPolarHBondContact O-CB 3.46Å; Y1247-Y1251 PolarHBondContact O-N 3.28Å; Y1247-F1286 WeakPolarHBondContact O-CE2 3.43Å; Y1247-L1290 HydrophobicContact CD1-CD1 4.1Å; Y1247-L1290 HydrophobicContact CD1-CD2 3.39Å; Y1247-L1290 VanDerWaalsContact CD1-CD2 3.45Å; Y1247-L1290 HydrophobicContact CD1-CG 4.42Å; Y1247-L1290 HydrophobicContact CE1-CD1 4.28Å; Y1247-L1290 HydrophobicContact CE1-CD2 3.84Å; Y1247-L1290 HydrophobicContact CG-CD2 4.18Å; Y1247-F1297 HydrophobicContact CE1-CE2 4.31Å; Y1247-F1297 AromaticContact CE1-CZ 3.98Å; Y1247-F1297 HydrophobicContact CE1-CZ 4.23Å; Y1247-F1297 WeakPolarHBondContact OH-CD2 3.22Å; Y1247-F1297 WeakPolarHBondContact OH-CE2 3.16Å; Y1247-F1297 VanDerWaalsContact OH-CZ 3.31Å; Y1247-F1297 WeakPolarHBondContact OH-CZ 3.07Å
1248A80.5Confident75.8Confident2 Ų228.6 Ų28.62%0.01715%0.145CC..Hα-helixtrans-66.4-39.9175.700000111.6L1199 W1202 A1244 G1245 Y1251 V1252L1199-A1248 HydrophobicContact CD2-CB 4.06Å; W1202-A1248 HydrophobicContact CD2-CB 4.28Å; W1202-A1248 HydrophobicContact CG-CB 4.06Å; A1244-A1248 HydrophobicContact CB-CB 3.68Å; G1245-A1248 WeakPolarHBondContact O-CB 3.35Å; G1245-A1248 PolarHBondContact O-N 3.01Å; G1245-A1248 VanDerWaalsContact O-N 3.11Å; A1248-Y1251 WeakPolarHBondContact O-CB 3.49Å; A1248-Y1251 PolarHBondContact O-N 3.09Å; A1248-V1252 WeakPolarHBondContact O-CG2 3.24Å; A1248-V1252 PolarHBondContact O-N 3.14Å; A1248-V1252 VanDerWaalsContact O-N 3.07Å
1249C79.8Confident75.9Confident11 Ų1127.8 Ų27.87%0.07414%0.144CC..Hα-helixtrans-58.7-51.4173.7-60.90000111.8L1241 G1245 P1246 Y1247 Y1251 V1252 E1253L1241-C1249 VanDerWaalsContact C-SG 3.55Å; L1241-C1249 HydrophobicContact CD2-CB 4.36Å; L1241-C1249 PolarHBondContact O-SG 2.95Å; G1245-C1249 PolarHBondContact O-N 3.1Å; G1245-C1249 PolarHBondContact O-SG 3.06Å; P1246-C1249 PolarHBondContact O-N 3.08Å; Y1247-C1249 VanDerWaalsContact C-N 3.34Å; Y1247-C1249 PolarHBondContact O-N 2.9Å; C1249-Y1251 VanDerWaalsContact C-N 3.27Å; C1249-Y1251 PolarHBondContact O-N 3Å; C1249-V1252 PolarHBondContact O-N 3.12Å; C1249-E1253 VanDerWaalsContact O-CB 3.31Å; C1249-E1253 WeakPolarHBondContact O-CB 3.44Å; C1249-E1253 VanDerWaalsContact O-CG 3.26Å; C1249-E1253 WeakPolarHBondContact O-CG 3.39Å; C1249-E1253 PolarHBondContact O-N 3.12Å
1250S77.6Confident75.6Confident0 Ų024.8 Ų24.80%013%0.133CC..Hα-helixtrans-60.8-3718023.10000111.8P1246 Y1247 E1253 T1254 F1286 R1289 L1290 S1293P1246-S1250 WeakPolarHBondContact O-CB 3.36Å; P1246-S1250 PolarHBondContact O-N 3.1Å; P1246-S1250 PolarHBondContact O-OG 3.25Å; Y1247-S1250 PolarHBondContact O-N 3.19Å; Y1247-S1250 PolarHBondContact O-OG 3.21Å; Y1247-S1250 VanDerWaalsContact O-OG 3.06Å; S1250-E1253 PolarHBondContact O-N 3.16Å; S1250-T1254 VanDerWaalsContact O-CB 3.25Å; S1250-T1254 WeakPolarHBondContact O-CB 3.15Å; S1250-T1254 VanDerWaalsContact O-CG2 3.3Å; S1250-T1254 WeakPolarHBondContact O-CG2 3.27Å; S1250-T1254 PolarHBondContact O-N 3.25Å; S1250-T1254 PolarHBondContact O-OG1 3.17Å; S1250-F1286 WeakPolarHBondContact OG-CE2 3.41Å; S1250-R1289 VanDerWaalsContact OG-C 3.3Å; S1250-R1289 PolarHBondContact OG-O 2.79Å; S1250-L1290 WeakPolarHBondContact OG-CD2 3.31Å; S1250-L1290 WeakPolarHBondContact OG-CG 3.32Å; S1250-L1290 PolarHBondContact OG-N 2.92Å; S1250-S1293 PolarHBondContact OG-OG 3.04Å; S1250-S1293 VanDerWaalsContact OG-OG 3.1Å
1251Y83.7Confident75.2Confident0 Ų024.1 Ų24.10%014%0.135CC..Hα-helixtrans-61.8-50.7173.9177.8-106.2000112.3V1175 S1176 S1179 L1198 F1201 W1202 Y1247 A1248 C1249 E1253 T1254 L1255V1175-Y1251 HydrophobicContact CG1-CD2 4.42Å; V1175-Y1251 HydrophobicContact CG1-CE2 3.87Å; S1176-Y1251 WeakPolarHBondContact OG-CD2 3.35Å; S1179-Y1251 VanDerWaalsContact CB-OH 3.27Å; S1179-Y1251 WeakPolarHBondContact CB-OH 3.44Å; S1179-Y1251 PolarHBondContact OG-OH 3.31Å; L1198-Y1251 HydrophobicContact CB-CE1 4.3Å; L1198-Y1251 HydrophobicContact CD2-CE1 4.02Å; F1201-Y1251 HydrophobicContact CD1-CE1 4.37Å; F1201-Y1251 WeakPolarHBondContact CD1-OH 3.37Å; F1201-Y1251 WeakPolarHBondContact CE1-OH 3.3Å; W1202-Y1251 HydrophobicContact CB-CD1 4.32Å; W1202-Y1251 HydrophobicContact CB-CE1 4.37Å; W1202-Y1251 HydrophobicContact CD2-CD1 4.44Å; W1202-Y1251 HydrophobicContact CD2-CG 4.46Å; W1202-Y1251 AromaticContact CE3-CD1 3.76Å; W1202-Y1251 HydrophobicContact CE3-CD1 3.76Å; W1202-Y1251 AromaticContact CE3-CD2 3.9Å; W1202-Y1251 HydrophobicContact CE3-CD2 3.96Å; W1202-Y1251 HydrophobicContact CE3-CE1 4.4Å; W1202-Y1251 HydrophobicContact CE3-CE2 4.47Å; W1202-Y1251 AromaticContact CE3-CG 3.5Å; W1202-Y1251 HydrophobicContact CE3-CG 3.5Å; W1202-Y1251 VanDerWaalsContact CE3-CG 3.42Å; W1202-Y1251 HydrophobicContact CZ3-CD1 4.47Å; W1202-Y1251 AromaticContact CZ3-CD2 3.96Å; W1202-Y1251 HydrophobicContact CZ3-CD2 4.02Å; W1202-Y1251 AromaticContact CZ3-CG 3.86Å; W1202-Y1251 HydrophobicContact CZ3-CG 3.86Å; Y1247-Y1251 WeakPolarHBondContact O-CB 3.46Å; Y1247-Y1251 PolarHBondContact O-N 3.28Å; A1248-Y1251 WeakPolarHBondContact O-CB 3.49Å; A1248-Y1251 PolarHBondContact O-N 3.09Å; C1249-Y1251 VanDerWaalsContact C-N 3.27Å; C1249-Y1251 PolarHBondContact O-N 3Å; Y1251-E1253 PolarHBondContact O-N 3.09Å; Y1251-T1254 WeakPolarHBondContact O-CB 3.22Å; Y1251-T1254 PolarHBondContact O-N 2.93Å; Y1251-T1254 PolarHBondContact O-OG1 3.03Å; Y1251-L1255 HydrophobicContact CD1-CD1 4.39Å; Y1251-L1255 HydrophobicContact CD2-CD1 4.43Å; Y1251-L1255 HydrophobicContact CE1-CD1 3.81Å; Y1251-L1255 HydrophobicContact CE2-CD1 3.78Å; Y1251-L1255 HydrophobicContact CE2-CG 4.46Å; Y1251-L1255 VanDerWaalsContact CZ-CD1 3.47Å; Y1251-L1255 PolarHBondContact O-N 3.11Å; Y1251-L1255 VanDerWaalsContact O-N 3.11Å; Y1251-L1255 WeakPolarHBondContact OH-CD1 3.26Å
1252V80.5Confident74.8Confident0.4 Ų0.425.5 Ų25.50%0.00215%0.145CC..Hα-helixtrans-60.7-46.1177.1173.60000111.3V1195 L1198 L1199 F1232 L1241 A1248 C1249 T1254 L1255 L1256V1195-V1252 HydrophobicContact CB-CG1 4.4Å; V1195-V1252 HydrophobicContact CG1-CG1 4.14Å; V1195-V1252 HydrophobicContact CG2-CG1 3.83Å; L1198-V1252 HydrophobicContact CB-CG2 4Å; L1198-V1252 HydrophobicContact CD1-CG1 4.44Å; L1199-V1252 HydrophobicContact CD2-CG2 3.87Å; L1199-V1252 HydrophobicContact CG-CG2 4.1Å; F1232-V1252 HydrophobicContact CE1-CG1 4.16Å; F1232-V1252 HydrophobicContact CZ-CG1 4.14Å; L1241-V1252 HydrophobicContact CD2-CB 4.23Å; L1241-V1252 HydrophobicContact CD2-CG1 4.29Å; L1241-V1252 HydrophobicContact CD2-CG2 4.38Å; A1248-V1252 WeakPolarHBondContact O-CG2 3.24Å; A1248-V1252 PolarHBondContact O-N 3.14Å; A1248-V1252 VanDerWaalsContact O-N 3.07Å; C1249-V1252 PolarHBondContact O-N 3.12Å; V1252-T1254 VanDerWaalsContact C-N 3.31Å; V1252-T1254 PolarHBondContact O-N 3.08Å; V1252-L1255 PolarHBondContact O-N 3.02Å; V1252-L1256 WeakPolarHBondContact O-CB 3.3Å; V1252-L1256 PolarHBondContact O-N 3.21Å; V1252-L1256 VanDerWaalsContact O-N 3.11Å
1253E77.4Confident74.1Confident18.8 Ų18.823.7 Ų23.79%0.08815%0.146CC..Hα-helixtrans-57.2-42.4176.1-76.6-179.3-145.500111.8C1222 F1232 C1249 S1250 Y1251 L1255 L1256 T1257 R1289C1222-E1253 PolarHBondContact SG-OE1 2.89Å; F1232-E1253 HydrophobicContact CD2-CG 4.37Å; F1232-E1253 HydrophobicContact CE1-CG 4.45Å; F1232-E1253 HydrophobicContact CE2-CG 3.88Å; F1232-E1253 HydrophobicContact CZ-CB 4.43Å; F1232-E1253 HydrophobicContact CZ-CG 3.83Å; C1249-E1253 VanDerWaalsContact O-CB 3.31Å; C1249-E1253 WeakPolarHBondContact O-CB 3.44Å; C1249-E1253 VanDerWaalsContact O-CG 3.26Å; C1249-E1253 WeakPolarHBondContact O-CG 3.39Å; C1249-E1253 PolarHBondContact O-N 3.12Å; S1250-E1253 PolarHBondContact O-N 3.16Å; Y1251-E1253 PolarHBondContact O-N 3.09Å; E1253-L1255 PolarHBondContact O-N 2.96Å; E1253-L1256 PolarHBondContact O-N 2.94Å; E1253-T1257 VanDerWaalsContact O-CB 3.32Å; E1253-T1257 WeakPolarHBondContact O-CB 3.39Å; E1253-T1257 WeakPolarHBondContact O-CG2 3.35Å; E1253-T1257 PolarHBondContact O-N 3.02Å; E1253-T1257 PolarHBondContact O-OG1 2.98Å; E1253-R1289 HydrophobicContact CB-CG 4.15Å; E1253-R1289 WeakPolarHBondContact OE2-CD 3.36Å; E1253-R1289 IonicContact OE2-CZ 3.26Å; E1253-R1289 IonicContact OE2-NE 3.45Å; E1253-R1289 PolarHBondContact OE2-NE 2.81Å; E1253-R1289 IonicContact OE2-NH1 3.34Å; E1253-R1289 PolarHBondContact OE2-NH1 2.84Å; E1253-R1289 IonicContact OE2-NH2 3.8Å; E1253-R1289 PolarHBondContact OE2-NH2 2.9Å
1254T77.9Confident73.1Confident0.4 Ų0.425 Ų250%0.00215%0.153CC..Hα-helixtrans-64.1-46.8-17944.90000113.1S1250 Y1251 V1252 L1256 T1257 C1258 L1285 F1286 R1289S1250-T1254 VanDerWaalsContact O-CB 3.25Å; S1250-T1254 WeakPolarHBondContact O-CB 3.15Å; S1250-T1254 VanDerWaalsContact O-CG2 3.3Å; S1250-T1254 WeakPolarHBondContact O-CG2 3.27Å; S1250-T1254 PolarHBondContact O-N 3.25Å; S1250-T1254 PolarHBondContact O-OG1 3.17Å; Y1251-T1254 WeakPolarHBondContact O-CB 3.22Å; Y1251-T1254 PolarHBondContact O-N 2.93Å; Y1251-T1254 PolarHBondContact O-OG1 3.03Å; V1252-T1254 VanDerWaalsContact C-N 3.31Å; V1252-T1254 PolarHBondContact O-N 3.08Å; T1254-L1256 VanDerWaalsContact C-N 3.3Å; T1254-L1256 PolarHBondContact O-N 3.15Å; T1254-T1257 WeakPolarHBondContact CA-OG1 3.28Å; T1254-T1257 WeakPolarHBondContact O-CB 3.39Å; T1254-T1257 PolarHBondContact O-N 3.19Å; T1254-T1257 PolarHBondContact O-OG1 3.07Å; T1254-C1258 WeakPolarHBondContact O-CB 3.45Å; T1254-C1258 PolarHBondContact O-N 2.93Å; T1254-C1258 VanDerWaalsContact O-N 3.08Å; T1254-C1258 PolarHBondContact O-SG 3.11Å; T1254-C1258 VanDerWaalsContact O-SG 3.34Å; T1254-L1285 HydrophobicContact CG2-CB 4.06Å; T1254-L1285 VanDerWaalsContact CG2-O 3.31Å; T1254-L1285 WeakPolarHBondContact CG2-O 3.3Å; T1254-F1286 VanDerWaalsContact CG2-CA 3.41Å; T1254-F1286 HydrophobicContact CG2-CB 4.05Å; T1254-F1286 HydrophobicContact CG2-CD2 4.34Å; T1254-F1286 VanDerWaalsContact CG2-N 3.32Å; T1254-F1286 WeakPolarHBondContact OG1-CA 3.4Å; T1254-F1286 PolarHBondContact OG1-N 2.75Å; T1254-R1289 HydrophobicContact CG2-CB 3.99Å; T1254-R1289 HydrophobicContact CG2-CG 3.74Å
1255L79.7Confident71.9Confident0.8 Ų0.831 Ų310%0.00417%0.174CC..Hα-helixtrans-69.7-39.3-178.3-69.7174000110.9L1183 L1186 L1198 Y1251 V1252 E1253 T1257 C1258 V1259 L1282L1183-L1255 HydrophobicContact CD1-CD2 4.1Å; L1186-L1255 HydrophobicContact CD1-CB 4.4Å; L1186-L1255 HydrophobicContact CD1-CD1 4.48Å; L1198-L1255 HydrophobicContact CD1-CB 3.95Å; L1198-L1255 HydrophobicContact CD1-CD1 4.02Å; L1198-L1255 HydrophobicContact CD2-CD1 3.44Å; L1198-L1255 VanDerWaalsContact CD2-CD1 3.47Å; L1198-L1255 HydrophobicContact CG-CD1 4.36Å; Y1251-L1255 HydrophobicContact CD1-CD1 4.39Å; Y1251-L1255 HydrophobicContact CD2-CD1 4.43Å; Y1251-L1255 HydrophobicContact CE1-CD1 3.81Å; Y1251-L1255 HydrophobicContact CE2-CD1 3.78Å; Y1251-L1255 HydrophobicContact CE2-CG 4.46Å; Y1251-L1255 VanDerWaalsContact CZ-CD1 3.47Å; Y1251-L1255 PolarHBondContact O-N 3.11Å; Y1251-L1255 VanDerWaalsContact O-N 3.11Å; Y1251-L1255 WeakPolarHBondContact OH-CD1 3.26Å; V1252-L1255 PolarHBondContact O-N 3.02Å; E1253-L1255 PolarHBondContact O-N 2.96Å; L1255-T1257 VanDerWaalsContact C-N 3.32Å; L1255-T1257 PolarHBondContact O-N 3.02Å; L1255-C1258 WeakPolarHBondContact O-CB 3.37Å; L1255-C1258 PolarHBondContact O-N 2.96Å; L1255-C1258 VanDerWaalsContact O-N 3.12Å; L1255-V1259 WeakPolarHBondContact O-CG2 3.37Å; L1255-V1259 PolarHBondContact O-N 3.16Å; L1255-L1282 HydrophobicContact CD2-CD1 4.19Å; L1255-L1282 HydrophobicContact CD2-CD2 4.22Å
1256L76.3Confident69.9Low20.8 Ų20.839.3 Ų39.311%0.10921%0.208CC..Hα-helixtrans-64-39.7174.8-162.667000112F1229 I1231 F1232 V1252 E1253 T1254 C1258 V1259 T1260F1229-L1256 HydrophobicContact CB-CD2 4.09Å; F1229-L1256 HydrophobicContact CD1-CB 4.38Å; F1229-L1256 HydrophobicContact CD1-CD2 3.44Å; F1229-L1256 VanDerWaalsContact CD1-CD2 3.44Å; F1229-L1256 HydrophobicContact CD1-CG 3.65Å; F1229-L1256 HydrophobicContact CD2-CD2 4.44Å; F1229-L1256 HydrophobicContact CE1-CB 4.19Å; F1229-L1256 HydrophobicContact CE1-CD2 4.03Å; F1229-L1256 HydrophobicContact CE1-CG 3.73Å; F1229-L1256 HydrophobicContact CG-CD2 3.78Å; F1229-L1256 HydrophobicContact CG-CG 4.4Å; I1231-L1256 HydrophobicContact CB-CD2 4.18Å; I1231-L1256 HydrophobicContact CD1-CD1 4.18Å; I1231-L1256 HydrophobicContact CD1-CD2 3.87Å; I1231-L1256 HydrophobicContact CD1-CG 4.06Å; I1231-L1256 HydrophobicContact CG2-CD1 4.5Å; I1231-L1256 HydrophobicContact CG2-CD2 4.03Å; I1231-L1256 HydrophobicContact CG2-CG 4.44Å; F1232-L1256 HydrophobicContact CE1-CD2 4.14Å; F1232-L1256 HydrophobicContact CE2-CD2 4.16Å; F1232-L1256 HydrophobicContact CZ-CD2 3.62Å; F1232-L1256 VanDerWaalsContact CZ-CD2 3.49Å; V1252-L1256 WeakPolarHBondContact O-CB 3.3Å; V1252-L1256 PolarHBondContact O-N 3.21Å; V1252-L1256 VanDerWaalsContact O-N 3.11Å; E1253-L1256 PolarHBondContact O-N 2.94Å; T1254-L1256 VanDerWaalsContact C-N 3.3Å; T1254-L1256 PolarHBondContact O-N 3.15Å; L1256-C1258 VanDerWaalsContact C-N 3.33Å; L1256-C1258 PolarHBondContact O-N 3.21Å; L1256-V1259 PolarHBondContact O-N 3.1Å; L1256-T1260 WeakPolarHBondContact O-CG2 3.4Å; L1256-T1260 PolarHBondContact O-N 3.24Å; L1256-T1260 VanDerWaalsContact O-N 3.08Å; L1256-T1260 PolarHBondContact O-OG1 3.1Å
1257T71.8Confident67.9Low12 Ų1243 Ų437%0.07423%0.234CC..Hα-helixtrans-62.2-39.3172.4-14.80000111.7F1229 E1253 T1254 L1255 V1259 T1260 L1261 R1289F1229-T1257 HydrophobicContact CD1-CG2 4.11Å; F1229-T1257 HydrophobicContact CE1-CG2 3.67Å; F1229-T1257 VanDerWaalsContact CE1-CG2 3.45Å; F1229-T1257 HydrophobicContact CE2-CG2 3.82Å; F1229-T1257 WeakPolarHBondContact CE2-OG1 3.33Å; F1229-T1257 HydrophobicContact CZ-CG2 3.93Å; F1229-T1257 VanDerWaalsContact CZ-OG1 3.31Å; F1229-T1257 WeakPolarHBondContact CZ-OG1 3.35Å; E1253-T1257 VanDerWaalsContact O-CB 3.32Å; E1253-T1257 WeakPolarHBondContact O-CB 3.39Å; E1253-T1257 WeakPolarHBondContact O-CG2 3.35Å; E1253-T1257 PolarHBondContact O-N 3.02Å; E1253-T1257 PolarHBondContact O-OG1 2.98Å; T1254-T1257 WeakPolarHBondContact CA-OG1 3.28Å; T1254-T1257 WeakPolarHBondContact O-CB 3.39Å; T1254-T1257 PolarHBondContact O-N 3.19Å; T1254-T1257 PolarHBondContact O-OG1 3.07Å; L1255-T1257 VanDerWaalsContact C-N 3.32Å; L1255-T1257 PolarHBondContact O-N 3.02Å; T1257-V1259 PolarHBondContact O-N 3.48Å; T1257-T1260 WeakPolarHBondContact CA-OG1 3.21Å; T1257-T1260 PolarHBondContact O-N 3.1Å; T1257-T1260 PolarHBondContact O-OG1 2.96Å; T1257-T1260 VanDerWaalsContact O-OG1 3.12Å; T1257-L1261 HydrophobicContact CG2-CD1 3.86Å; T1257-L1261 HydrophobicContact CG2-CG 4.31Å; T1257-L1261 VanDerWaalsContact O-CB 3.31Å; T1257-L1261 WeakPolarHBondContact O-CB 3.39Å; T1257-L1261 WeakPolarHBondContact O-CD1 3.48Å; T1257-L1261 VanDerWaalsContact O-CG 3.31Å; T1257-L1261 WeakPolarHBondContact O-CG 3.39Å; T1257-L1261 PolarHBondContact O-N 3.08Å; T1257-R1289 PolarHBondContact OG1-NH2 3.49Å
1258C74.3Confident65.8Low0.8 Ų0.853.9 Ų53.91%0.00528%0.276CS..Hα-helixtrans-68.9-35.6177.7-67.90000112.9L1183 T1254 L1255 L1256 S1262 I1277 L1282 L1285L1183-C1258 HydrophobicContact CD1-CB 3.85Å; L1183-C1258 HydrophobicContact CD2-CB 4.29Å; T1254-C1258 WeakPolarHBondContact O-CB 3.45Å; T1254-C1258 PolarHBondContact O-N 2.93Å; T1254-C1258 VanDerWaalsContact O-N 3.08Å; T1254-C1258 PolarHBondContact O-SG 3.11Å; T1254-C1258 VanDerWaalsContact O-SG 3.34Å; L1255-C1258 WeakPolarHBondContact O-CB 3.37Å; L1255-C1258 PolarHBondContact O-N 2.96Å; L1255-C1258 VanDerWaalsContact O-N 3.12Å; L1256-C1258 VanDerWaalsContact C-N 3.33Å; L1256-C1258 PolarHBondContact O-N 3.21Å; C1258-S1262 VanDerWaalsContact O-CB 3.3Å; C1258-S1262 WeakPolarHBondContact O-CB 3.42Å; C1258-S1262 PolarHBondContact O-N 3.04Å; C1258-S1262 VanDerWaalsContact O-N 3.11Å; C1258-S1262 PolarHBondContact O-OG 3.33Å; C1258-I1277 HydrophobicContact CB-CD1 4.14Å; C1258-I1277 WeakPolarHBondContact O-CD1 3.38Å; C1258-L1282 HydrophobicContact CB-CD2 3.99Å; C1258-L1282 WeakPolarHBondContact SG-CD2 3.37Å; C1258-L1285 VanDerWaalsContact SG-CD1 3.5Å; C1258-L1285 WeakPolarHBondContact SG-CD1 3.43Å
1259V73.1Confident63.4Low30.8 Ų30.862.8 Ų62.819%0.18732%0.317CS..Hα-helixtrans-64.5-46.2173.4173.60000110.7L1183 L1186 L1255 L1256 T1257 L1261 S1262 S1263L1183-V1259 HydrophobicContact CD1-CG2 3.75Å; L1186-V1259 HydrophobicContact CB-CG2 4.09Å; L1255-V1259 WeakPolarHBondContact O-CG2 3.37Å; L1255-V1259 PolarHBondContact O-N 3.16Å; L1256-V1259 PolarHBondContact O-N 3.1Å; T1257-V1259 PolarHBondContact O-N 3.48Å; V1259-L1261 PolarHBondContact O-N 2.9Å; V1259-S1262 WeakPolarHBondContact O-CA 3.5Å; V1259-S1262 WeakPolarHBondContact O-CB 3.25Å; V1259-S1262 PolarHBondContact O-N 3.3Å; V1259-S1262 VanDerWaalsContact O-N 3.11Å; V1259-S1263 WeakPolarHBondContact O-CB 3.28Å; V1259-S1263 PolarHBondContact O-N 3.16Å; V1259-S1263 PolarHBondContact O-OG 3.2Å
1260T68Low61.3Low43 Ų4368.5 Ų68.526%0.26435%0.352SS..Hα-helixtrans-68.1-37.9179.358.30000113.2F1229 I1231 L1256 T1257 S1262 S1263 N1264F1229-T1260 HydrophobicContact CD1-CG2 4.28Å; F1229-T1260 HydrophobicContact CE1-CG2 3.85Å; F1229-T1260 VanDerWaalsContact CE1-OG1 3.28Å; F1229-T1260 WeakPolarHBondContact CE1-OG1 3.38Å; I1231-T1260 HydrophobicContact CD1-CG2 3.39Å; L1256-T1260 WeakPolarHBondContact O-CG2 3.4Å; L1256-T1260 PolarHBondContact O-N 3.24Å; L1256-T1260 VanDerWaalsContact O-N 3.08Å; L1256-T1260 PolarHBondContact O-OG1 3.1Å; T1257-T1260 WeakPolarHBondContact CA-OG1 3.21Å; T1257-T1260 PolarHBondContact O-N 3.1Å; T1257-T1260 PolarHBondContact O-OG1 2.96Å; T1257-T1260 VanDerWaalsContact O-OG1 3.12Å; T1260-S1262 VanDerWaalsContact C-N 3.26Å; T1260-S1262 PolarHBondContact O-N 3.18Å; T1260-S1263 PolarHBondContact O-N 3.11Å; T1260-S1263 VanDerWaalsContact O-N 3.14Å; T1260-S1263 PolarHBondContact O-OG 2.9Å; T1260-S1263 VanDerWaalsContact O-OG 3.08Å; T1260-N1264 WeakPolarHBondContact O-CB 3.15Å; T1260-N1264 PolarHBondContact O-N 3.12Å; T1260-N1264 VanDerWaalsContact O-N 3.1Å; T1260-N1264 PolarHBondContact O-ND2 3.05Å
1261L66Low59.1Low70.8 Ų70.878.4 Ų78.437%0.37140%0.398SS..Hα-helixtrans-63.3-31.7171.4-72.7170.2000112.3T1257 V1259 P1329T1257-L1261 HydrophobicContact CG2-CD1 3.86Å; T1257-L1261 HydrophobicContact CG2-CG 4.31Å; T1257-L1261 VanDerWaalsContact O-CB 3.31Å; T1257-L1261 WeakPolarHBondContact O-CB 3.39Å; T1257-L1261 WeakPolarHBondContact O-CD1 3.48Å; T1257-L1261 VanDerWaalsContact O-CG 3.31Å; T1257-L1261 WeakPolarHBondContact O-CG 3.39Å; T1257-L1261 PolarHBondContact O-N 3.08Å; V1259-L1261 PolarHBondContact O-N 2.9Å; L1261-P1329 HydrophobicContact CD1-CG 3.88Å; L1261-P1329 HydrophobicContact CD2-CG 3.92Å; L1261-P1329 HydrophobicContact CG-CG 4.43Å
1262S64.4Low56.8Low38.2 Ų38.283.3 Ų83.327%0.26743%0.432SS..Hα-helixtrans-77.4-31.8175.8-133.10000113.1C1258 V1259 T1260 K1265 I1277C1258-S1262 VanDerWaalsContact O-CB 3.3Å; C1258-S1262 WeakPolarHBondContact O-CB 3.42Å; C1258-S1262 PolarHBondContact O-N 3.04Å; C1258-S1262 VanDerWaalsContact O-N 3.11Å; C1258-S1262 PolarHBondContact O-OG 3.33Å; V1259-S1262 WeakPolarHBondContact O-CA 3.5Å; V1259-S1262 WeakPolarHBondContact O-CB 3.25Å; V1259-S1262 PolarHBondContact O-N 3.3Å; V1259-S1262 VanDerWaalsContact O-N 3.11Å; T1260-S1262 VanDerWaalsContact C-N 3.26Å; T1260-S1262 PolarHBondContact O-N 3.18Å; S1262-K1265 WeakPolarHBondContact O-CG 3.24Å; S1262-I1277 WeakPolarHBondContact OG-CD1 3.39Å
1263S55.5Low54.8Low81.8 Ų81.889.8 Ų89.857%0.57247%0.472SS*.Hα-helixtrans-80.2-32.4-178.3107.80000113.3V1259 T1260 K1265V1259-S1263 WeakPolarHBondContact O-CB 3.28Å; V1259-S1263 PolarHBondContact O-N 3.16Å; V1259-S1263 PolarHBondContact O-OG 3.2Å; T1260-S1263 PolarHBondContact O-N 3.11Å; T1260-S1263 VanDerWaalsContact O-N 3.14Å; T1260-S1263 PolarHBondContact O-OG 2.9Å; T1260-S1263 VanDerWaalsContact O-OG 3.08Å; S1263-K1265 PolarHBondContact O-N 3.01Å
1264N49.3Very low52.9Low124.4 Ų124.491.4 Ų91.467%0.66549%0.493SS*.  trans-72.627.3-179.2-78.3-14.1000114.9T1260 F1266T1260-N1264 WeakPolarHBondContact O-CB 3.15Å; T1260-N1264 PolarHBondContact O-N 3.12Å; T1260-N1264 VanDerWaalsContact O-N 3.1Å; T1260-N1264 PolarHBondContact O-ND2 3.05Å; N1264-F1266 VanDerWaalsContact C-N 3.26Å; N1264-F1266 PolarHBondContact O-N 3.04Å
1265K43.4Very low51.5Low154.6 Ų154.696.1 Ų96.167%0.67252%0.518SS*.  trans-74.838.9166.2-70.7-175.1178.5179.70111.5S1262 S1263 S1267 G1274S1262-K1265 WeakPolarHBondContact O-CG 3.24Å; S1263-K1265 PolarHBondContact O-N 3.01Å; K1265-S1267 PolarHBondContact O-N 3.25Å; K1265-G1274 PolarHBondContact NZ-O 2.98Å
1266F33Very low50.4Low182.8 Ų182.8101.1 Ų101.180%0.80255%0.55SS**  trans-71.5111.6173.7-117.9-93.1000110.4N1264 R1268N1264-F1266 VanDerWaalsContact C-N 3.26Å; N1264-F1266 PolarHBondContact O-N 3.04Å; F1266-R1268 PolarHBondContact O-N 3.32Å; F1266-R1268 VanDerWaalsContact O-N 3.07Å
1267S32.9Very low49.9Very low103.2 Ų103.2102.5 Ų102.572%0.72256%0.557SS**SBendtrans51.555.8150.844.60000118K1265K1265-S1267 PolarHBondContact O-N 3.25Å
1268R35.5Very low49.9Very low236.2 Ų236.2103.7 Ų103.789%0.89157%0.566SS**  trans-149.2120.7148.5-113.8172.6-173.3-179.92.4112.6F1266 T1270F1266-R1268 PolarHBondContact O-N 3.32Å; F1266-R1268 VanDerWaalsContact O-N 3.07Å; R1268-T1270 PolarHBondContact O-N 3.06Å
1269E30.9Very low50Low187.6 Ų187.6105.1 Ų105.188%0.87758%0.578SS**  trans-60.3114.9173.5-60163.1148.500111.5
1270T35Very low50.3Low132 Ų132105.3 Ų105.381%0.8158%0.577SS**  trans-178.9140.4136.517.80000109.9R1268 S1272R1268-T1270 PolarHBondContact O-N 3.06Å; T1270-S1272 VanDerWaalsContact C-N 3.28Å; T1270-S1272 PolarHBondContact O-N 3.07Å
1271E31.7Very low50.9Low207.6 Ų207.6104.4 Ų104.497%0.9757%0.569SS**  trans-60.977.9-175.7-60.8173.5141.800113.8
1272S36.3Very low51.6Low102.6 Ų102.6101 Ų10172%0.71755%0.552SS**  trans-116.5117.7161.763.60000109.8T1270 G1274T1270-S1272 VanDerWaalsContact C-N 3.28Å; T1270-S1272 PolarHBondContact O-N 3.07Å; S1272-G1274 VanDerWaalsContact C-N 3.26Å; S1272-G1274 PolarHBondContact O-N 3.2Å; S1272-G1274 VanDerWaalsContact O-N 3.13Å
1273T38Very low52.4Low136.2 Ų136.299.2 Ų99.284%0.83654%0.539SS*.  trans-44.398.7176.250.70000111.7L1275T1273-L1275 PolarHBondContact O-N 3.05Å; T1273-L1275 VanDerWaalsContact O-N 3.16Å
1274G37.8Very low53.7Low51.8 Ų51.895.4 Ų95.453%0.53451%0.512SS..  trans-58.8116.1179.300000110.9K1265 S1272 P1276K1265-G1274 PolarHBondContact NZ-O 2.98Å; S1272-G1274 VanDerWaalsContact C-N 3.26Å; S1272-G1274 PolarHBondContact O-N 3.2Å; S1272-G1274 VanDerWaalsContact O-N 3.13Å; G1274-P1276 VanDerWaalsContact O-CD 3.26Å; G1274-P1276 WeakPolarHBondContact O-CD 3.34Å
1275L49.3Very low55.2Low99.8 Ų99.889.9 Ų89.952%0.52348%0.483SS..  trans-55.5123.2-176.9-90.7111.8000110.8T1273 I1277 H1326T1273-L1275 PolarHBondContact O-N 3.05Å; T1273-L1275 VanDerWaalsContact O-N 3.16Å; L1275-I1277 PolarHBondContact O-N 3.26Å; L1275-H1326 HydrophobicContact CD1-CB 4.33Å; L1275-H1326 HydrophobicContact CD2-CB 3.92Å; L1275-H1326 VanDerWaalsContact CD2-CB 3.48Å
1276P56.6Low57.1Low106.8 Ų106.882.6 Ų82.669%0.69445%0.451SS*.  trans-65.8129.7168.728.2-32.2000108.4G1274 S1278G1274-P1276 VanDerWaalsContact O-CD 3.26Å; G1274-P1276 WeakPolarHBondContact O-CD 3.34Å; P1276-S1278 VanDerWaalsContact C-N 3.27Å; P1276-S1278 PolarHBondContact O-N 3.12Å
1277I64.4Low59.5Low49.8 Ų49.874.2 Ų74.226%0.25542%0.415SS..  trans-6791.7175.4-57.9174.7000107.4L1183 C1258 S1262 L1275 H1281 L1282L1183-I1277 HydrophobicContact CD2-CB 4.36Å; L1183-I1277 HydrophobicContact CD2-CD1 4.26Å; C1258-I1277 HydrophobicContact CB-CD1 4.14Å; C1258-I1277 WeakPolarHBondContact O-CD1 3.38Å; S1262-I1277 WeakPolarHBondContact OG-CD1 3.39Å; L1275-I1277 PolarHBondContact O-N 3.26Å; I1277-H1281 HydrophobicContact CG2-CB 4.09Å; I1277-L1282 HydrophobicContact CG2-CD2 3.72Å; I1277-L1282 HydrophobicContact CG2-CG 4.16Å
1278S73.2Confident61.7Low37.4 Ų37.469.5 Ų69.526%0.26238%0.381SS..  trans-69.6156179.8750000110.8P1276 Q1280 H1281 L1282P1276-S1278 VanDerWaalsContact C-N 3.27Å; P1276-S1278 PolarHBondContact O-N 3.12Å; S1278-Q1280 PolarHBondContact O-N 3.09Å; S1278-Q1280 PolarHBondContact OG-N 3.41Å; S1278-Q1280 PolarHBondContact OG-OE1 3.06Å; S1278-H1281 PolarHBondContact N-ND1 3.08Å; S1278-H1281 WeakPolarHBondContact O-CB 3.31Å; S1278-H1281 PolarHBondContact O-N 3.24Å; S1278-H1281 PolarHBondContact OG-CE1 3.36Å; S1278-H1281 PolarHBondContact OG-ND1 3.13Å; S1278-L1282 PolarHBondContact O-N 3.26Å
1279A75.9Confident63.7Low30 Ų3059.6 Ų59.625%0.24834%0.344CS..Hα-helixtrans-41.1-38.3171.100000114.5A1177 T1180 H1281 L1282 A1283A1177-A1279 HydrophobicContact CB-CB 4.32Å; A1177-A1279 WeakPolarHBondContact O-CB 3.42Å; T1180-A1279 VanDerWaalsContact CG2-CA 3.46Å; T1180-A1279 HydrophobicContact CG2-CB 3.76Å; A1279-H1281 VanDerWaalsContact C-N 3.34Å; A1279-H1281 PolarHBondContact O-N 3.28Å; A1279-L1282 PolarHBondContact O-N 3.12Å; A1279-A1283 WeakPolarHBondContact O-CB 3.42Å; A1279-A1283 PolarHBondContact O-N 3.3Å; A1279-A1283 VanDerWaalsContact O-N 3.14Å
1280Q79Confident65.9Low35 Ų3550.8 Ų50.816%0.16430%0.303CS..Hα-helixtrans-68.5-30.4-179.7-60.4139.33300113.2S1278 L1284 F1319 R1322 C1323S1278-Q1280 PolarHBondContact O-N 3.09Å; S1278-Q1280 PolarHBondContact OG-N 3.41Å; S1278-Q1280 PolarHBondContact OG-OE1 3.06Å; Q1280-L1284 WeakPolarHBondContact O-CG 3.34Å; Q1280-L1284 PolarHBondContact O-N 3.07Å; Q1280-L1284 VanDerWaalsContact O-N 3.11Å; Q1280-F1319 HydrophobicContact CB-CB 4.45Å; Q1280-F1319 HydrophobicContact CB-CD1 4.46Å; Q1280-F1319 HydrophobicContact CG-CB 4.41Å; Q1280-F1319 HydrophobicContact CG-CD1 3.68Å; Q1280-F1319 HydrophobicContact CG-CE1 4.26Å; Q1280-F1319 HydrophobicContact CG-CG 4.26Å; Q1280-R1322 VanDerWaalsContact CD-CD 3.44Å; Q1280-R1322 VanDerWaalsContact NE2-NH1 3.14Å; Q1280-R1322 VanDerWaalsContact OE1-CB 3.23Å; Q1280-C1323 VanDerWaalsContact CB-SG 3.54Å
1281H80.2Confident67.9Low23.6 Ų23.644.7 Ų44.711%0.10927%0.266CS..Hα-helixtrans-70.9-42.2175.1-68.182.7000110.8I1277 S1278 A1279 A1283 L1284 L1285 C1323 H1326 P1328I1277-H1281 HydrophobicContact CG2-CB 4.09Å; S1278-H1281 PolarHBondContact N-ND1 3.08Å; S1278-H1281 WeakPolarHBondContact O-CB 3.31Å; S1278-H1281 PolarHBondContact O-N 3.24Å; S1278-H1281 PolarHBondContact OG-CE1 3.36Å; S1278-H1281 PolarHBondContact OG-ND1 3.13Å; A1279-H1281 VanDerWaalsContact C-N 3.34Å; A1279-H1281 PolarHBondContact O-N 3.28Å; H1281-A1283 PolarHBondContact O-N 3.24Å; H1281-L1284 PolarHBondContact O-N 3.17Å; H1281-L1285 WeakPolarHBondContact O-CB 3.35Å; H1281-L1285 VanDerWaalsContact O-CG 3.3Å; H1281-L1285 WeakPolarHBondContact O-CG 3.25Å; H1281-L1285 PolarHBondContact O-N 2.98Å; H1281-C1323 PolarHBondContact ND1-SG 3.16Å; H1281-C1323 VanDerWaalsContact ND1-SG 3.39Å; H1281-H1326 PolarHBondContact CE1-O 3.23Å; H1281-H1326 PolarHBondContact NE2-O 2.89Å; H1281-H1326 VanDerWaalsContact NE2-O 3.14Å; H1281-P1328 HydrophobicContact CB-CG 4.26Å
1282L81Confident69.7Low0.2 Ų0.237.4 Ų37.40%0.00124%0.238CC..Hα-helixtrans-60.4-46.6175-60.2-175.6000111.2S1176 T1180 L1183 L1255 C1258 I1277 S1278 A1279 L1284 L1285 F1286S1176-L1282 WeakPolarHBondContact O-CB 3.41Å; S1176-L1282 VanDerWaalsContact O-CD1 3.24Å; S1176-L1282 WeakPolarHBondContact O-CD1 3.33Å; T1180-L1282 HydrophobicContact CG2-CD1 3.71Å; T1180-L1282 HydrophobicContact CG2-CG 4.5Å; L1183-L1282 HydrophobicContact CD1-CD2 4.41Å; L1255-L1282 HydrophobicContact CD2-CD1 4.19Å; L1255-L1282 HydrophobicContact CD2-CD2 4.22Å; C1258-L1282 HydrophobicContact CB-CD2 3.99Å; C1258-L1282 WeakPolarHBondContact SG-CD2 3.37Å; I1277-L1282 HydrophobicContact CG2-CD2 3.72Å; I1277-L1282 HydrophobicContact CG2-CG 4.16Å; S1278-L1282 PolarHBondContact O-N 3.26Å; A1279-L1282 PolarHBondContact O-N 3.12Å; L1282-L1284 VanDerWaalsContact C-N 3.33Å; L1282-L1284 PolarHBondContact O-N 3.08Å; L1282-L1285 PolarHBondContact O-N 3.25Å; L1282-F1286 WeakPolarHBondContact O-CB 3.32Å; L1282-F1286 PolarHBondContact O-N 3.39Å
1283A82.3Confident71.1Confident0 Ų033.5 Ų33.50%021%0.21CC..Hα-helixtrans-56.5-41.9176.700000113.4V1173 S1176 A1177 A1279 H1281 L1287 F1319V1173-A1283 HydrophobicContact CG1-CB 4.03Å; S1176-A1283 WeakPolarHBondContact OG-CA 3.07Å; A1177-A1283 HydrophobicContact CB-CB 4.21Å; A1279-A1283 WeakPolarHBondContact O-CB 3.42Å; A1279-A1283 PolarHBondContact O-N 3.3Å; A1279-A1283 VanDerWaalsContact O-N 3.14Å; H1281-A1283 PolarHBondContact O-N 3.24Å; A1283-L1287 PolarHBondContact O-N 3.1Å; A1283-L1287 VanDerWaalsContact O-N 3.15Å; A1283-F1319 HydrophobicContact CB-CD2 3.84Å; A1283-F1319 HydrophobicContact CB-CE2 4.06Å; A1283-F1319 HydrophobicContact CB-CG 4.47Å
1284L82.1Confident72.4Confident2 Ų227.2 Ų27.21%0.0117%0.172CC..Hα-helixtrans-80.1-33.2179.6-67.2-177.8000113.4Q1280 H1281 L1282 F1286 L1287 S1288 L1320 C1323 P1328 M1339Q1280-L1284 WeakPolarHBondContact O-CG 3.34Å; Q1280-L1284 PolarHBondContact O-N 3.07Å; Q1280-L1284 VanDerWaalsContact O-N 3.11Å; H1281-L1284 PolarHBondContact O-N 3.17Å; L1282-L1284 VanDerWaalsContact C-N 3.33Å; L1282-L1284 PolarHBondContact O-N 3.08Å; L1284-F1286 VanDerWaalsContact C-N 3.26Å; L1284-F1286 PolarHBondContact O-N 3.04Å; L1284-L1287 HydrophobicContact CD2-CD1 4.12Å; L1284-L1287 PolarHBondContact O-N 3.17Å; L1284-S1288 WeakPolarHBondContact O-CB 3.31Å; L1284-S1288 PolarHBondContact O-N 2.89Å; L1284-L1320 HydrophobicContact CD1-CD2 4.38Å; L1284-L1320 HydrophobicContact CD2-CD2 3.56Å; L1284-L1320 VanDerWaalsContact CD2-CD2 3.46Å; L1284-L1320 HydrophobicContact CD2-CG 4.17Å; L1284-C1323 HydrophobicContact CD1-CB 3.35Å; L1284-C1323 VanDerWaalsContact CD1-CB 3.47Å; L1284-C1323 WeakPolarHBondContact CD1-SG 3.11Å; L1284-P1328 HydrophobicContact CB-CG 4.42Å; L1284-M1339 HydrophobicContact CD1-CE 4.09Å; L1284-M1339 HydrophobicContact CD1-CG 4.21Å; L1284-M1339 HydrophobicContact CD1-SD 3.97Å
1285L80.7Confident73.5Confident9.4 Ų9.432 Ų325%0.04918%0.178CC..Hα-helixtrans-63.7-36.9170.8-74.8168.3000110.7T1254 C1258 H1281 L1282 S1288 R1289 P1328T1254-L1285 HydrophobicContact CG2-CB 4.06Å; T1254-L1285 VanDerWaalsContact CG2-O 3.31Å; T1254-L1285 WeakPolarHBondContact CG2-O 3.3Å; C1258-L1285 VanDerWaalsContact SG-CD1 3.5Å; C1258-L1285 WeakPolarHBondContact SG-CD1 3.43Å; H1281-L1285 WeakPolarHBondContact O-CB 3.35Å; H1281-L1285 VanDerWaalsContact O-CG 3.3Å; H1281-L1285 WeakPolarHBondContact O-CG 3.25Å; H1281-L1285 PolarHBondContact O-N 2.98Å; L1282-L1285 PolarHBondContact O-N 3.25Å; L1285-S1288 WeakPolarHBondContact CA-OG 3.34Å; L1285-S1288 WeakPolarHBondContact O-CB 3.27Å; L1285-S1288 PolarHBondContact O-N 3.22Å; L1285-S1288 VanDerWaalsContact O-N 3.16Å; L1285-S1288 PolarHBondContact O-OG 3.27Å; L1285-R1289 WeakPolarHBondContact O-CB 3.43Å; L1285-R1289 VanDerWaalsContact O-CG 3.29Å; L1285-R1289 WeakPolarHBondContact O-CG 3.3Å; L1285-R1289 PolarHBondContact O-N 3.25Å; L1285-P1328 HydrophobicContact CD1-CB 4.23Å; L1285-P1328 HydrophobicContact CD2-CB 3.84Å; L1285-P1328 HydrophobicContact CD2-CG 4.46Å; L1285-P1328 HydrophobicContact CG-CB 3.89Å; L1285-P1328 HydrophobicContact CG-CG 4.3Å
1286F84.3Confident74Confident0 Ų031 Ų310%018%0.176CC..Hα-helixtrans-63.2-45.5173.9177.9-102.7000112.3V1173 S1176 W1202 Y1247 S1250 T1254 L1282 L1284 S1288 R1289 L1290V1173-F1286 HydrophobicContact CB-CD1 4.41Å; V1173-F1286 HydrophobicContact CG2-CD1 3.77Å; V1173-F1286 HydrophobicContact CG2-CE1 4.09Å; V1173-F1286 VanDerWaalsContact N-CE1 3.32Å; S1176-F1286 WeakPolarHBondContact OG-CB 3.35Å; S1176-F1286 WeakPolarHBondContact OG-CD2 3.24Å; S1176-F1286 WeakPolarHBondContact OG-CG 3.21Å; W1202-F1286 HydrophobicContact CH2-CE2 4.26Å; W1202-F1286 AromaticContact CH2-CZ 3.94Å; W1202-F1286 HydrophobicContact CH2-CZ 3.97Å; W1202-F1286 HydrophobicContact CZ3-CE2 4.18Å; W1202-F1286 HydrophobicContact CZ3-CZ 4.24Å; Y1247-F1286 WeakPolarHBondContact O-CE2 3.43Å; S1250-F1286 WeakPolarHBondContact OG-CE2 3.41Å; T1254-F1286 VanDerWaalsContact CG2-CA 3.41Å; T1254-F1286 HydrophobicContact CG2-CB 4.05Å; T1254-F1286 HydrophobicContact CG2-CD2 4.34Å; T1254-F1286 VanDerWaalsContact CG2-N 3.32Å; T1254-F1286 WeakPolarHBondContact OG1-CA 3.4Å; T1254-F1286 PolarHBondContact OG1-N 2.75Å; L1282-F1286 WeakPolarHBondContact O-CB 3.32Å; L1282-F1286 PolarHBondContact O-N 3.39Å; L1284-F1286 VanDerWaalsContact C-N 3.26Å; L1284-F1286 PolarHBondContact O-N 3.04Å; F1286-S1288 VanDerWaalsContact C-N 3.29Å; F1286-S1288 PolarHBondContact O-N 3.07Å; F1286-R1289 PolarHBondContact O-N 3.34Å; F1286-L1290 HydrophobicContact CD1-CD1 3.86Å; F1286-L1290 HydrophobicContact CD1-CG 4.4Å; F1286-L1290 HydrophobicContact CD2-CG 4.43Å; F1286-L1290 HydrophobicContact CE1-CD1 3.27Å; F1286-L1290 HydrophobicContact CE1-CG 4.04Å; F1286-L1290 HydrophobicContact CE2-CD1 4.33Å; F1286-L1290 HydrophobicContact CE2-CD2 4.4Å; F1286-L1290 HydrophobicContact CE2-CG 4.25Å; F1286-L1290 HydrophobicContact CG-CD1 4.41Å; F1286-L1290 HydrophobicContact CZ-CD1 3.55Å; F1286-L1290 HydrophobicContact CZ-CD2 4.24Å; F1286-L1290 HydrophobicContact CZ-CG 3.94Å; F1286-L1290 WeakPolarHBondContact O-CB 3.3Å; F1286-L1290 WeakPolarHBondContact O-CG 3.4Å; F1286-L1290 PolarHBondContact O-N 3.08Å
1287L81.5Confident74.3Confident7.2 Ų7.226.5 Ų26.54%0.03815%0.145CC..Hα-helixtrans-59.6-42172.3-78.3174.5000112.4V1173 A1283 L1284 R1289 L1290 E1291 F1297 L1301 L1316 V1335V1173-L1287 HydrophobicContact CG2-CD1 4.09Å; V1173-L1287 HydrophobicContact CG2-CD2 3.41Å; V1173-L1287 VanDerWaalsContact CG2-CD2 3.44Å; V1173-L1287 HydrophobicContact CG2-CG 3.68Å; A1283-L1287 PolarHBondContact O-N 3.1Å; A1283-L1287 VanDerWaalsContact O-N 3.15Å; L1284-L1287 HydrophobicContact CD2-CD1 4.12Å; L1284-L1287 PolarHBondContact O-N 3.17Å; L1287-R1289 VanDerWaalsContact C-N 3.32Å; L1287-R1289 PolarHBondContact O-N 2.99Å; L1287-L1290 PolarHBondContact O-N 3Å; L1287-E1291 WeakPolarHBondContact O-CB 3.32Å; L1287-E1291 WeakPolarHBondContact O-CG 3.32Å; L1287-E1291 PolarHBondContact O-N 3.23Å; L1287-F1297 HydrophobicContact CD2-CE1 4.2Å; L1287-L1301 HydrophobicContact CD1-CD2 3.6Å; L1287-L1301 HydrophobicContact CD2-CB 4.46Å; L1287-L1301 HydrophobicContact CD2-CD2 3.63Å; L1287-L1301 HydrophobicContact CG-CD2 4.22Å; L1287-L1316 HydrophobicContact CD1-CD2 4.32Å; L1287-V1335 HydrophobicContact CB-CG2 4.43Å
1288S79.2Confident74.2Confident3.4 Ų3.429.6 Ų29.62%0.02415%0.154CC..Hα-helixtrans-63.3-42.7177.31390000112.6L1284 L1285 F1286 L1290 E1291 S1292 C1331 D1332 V1335L1284-S1288 WeakPolarHBondContact O-CB 3.31Å; L1284-S1288 PolarHBondContact O-N 2.89Å; L1285-S1288 WeakPolarHBondContact CA-OG 3.34Å; L1285-S1288 WeakPolarHBondContact O-CB 3.27Å; L1285-S1288 PolarHBondContact O-N 3.22Å; L1285-S1288 VanDerWaalsContact O-N 3.16Å; L1285-S1288 PolarHBondContact O-OG 3.27Å; F1286-S1288 VanDerWaalsContact C-N 3.29Å; F1286-S1288 PolarHBondContact O-N 3.07Å; S1288-L1290 VanDerWaalsContact C-N 3.31Å; S1288-L1290 PolarHBondContact O-N 2.9Å; S1288-E1291 PolarHBondContact O-N 3.25Å; S1288-S1292 WeakPolarHBondContact O-CB 3.37Å; S1288-S1292 PolarHBondContact O-N 3Å; S1288-S1292 VanDerWaalsContact O-N 3.1Å; S1288-S1292 PolarHBondContact O-OG 3.05Å; S1288-S1292 VanDerWaalsContact O-OG 3.12Å; S1288-C1331 WeakPolarHBondContact OG-CA 3.37Å; S1288-D1332 PolarHBondContact OG-N 3.31Å; S1288-V1335 VanDerWaalsContact CA-CG2 3.45Å
1289R78.9Confident73.8Confident29.4 Ų29.428.2 Ų28.211%0.11115%0.146CC..Hα-helixtrans-72.5-31.7179.4-81.7-55.1-179.7165.1-10111.9K1225 D1228 F1229 S1250 E1253 T1254 T1257 L1285 F1286 L1287 S1292 S1293K1225-R1289 PolarHBondContact O-NH2 2.8Å; D1228-R1289 IonicContact OD2-CZ 3.01Å; D1228-R1289 IonicContact OD2-NH1 2.88Å; D1228-R1289 PolarHBondContact OD2-NH1 3.36Å; D1228-R1289 IonicContact OD2-NH2 3.24Å; D1228-R1289 PolarHBondContact OD2-NH2 2.68Å; F1229-R1289 VanDerWaalsContact CE2-NH2 3.34Å; S1250-R1289 VanDerWaalsContact OG-C 3.3Å; S1250-R1289 PolarHBondContact OG-O 2.79Å; E1253-R1289 HydrophobicContact CB-CG 4.15Å; E1253-R1289 WeakPolarHBondContact OE2-CD 3.36Å; E1253-R1289 IonicContact OE2-CZ 3.26Å; E1253-R1289 IonicContact OE2-NE 3.45Å; E1253-R1289 PolarHBondContact OE2-NE 2.81Å; E1253-R1289 IonicContact OE2-NH1 3.34Å; E1253-R1289 PolarHBondContact OE2-NH1 2.84Å; E1253-R1289 IonicContact OE2-NH2 3.8Å; E1253-R1289 PolarHBondContact OE2-NH2 2.9Å; T1254-R1289 HydrophobicContact CG2-CB 3.99Å; T1254-R1289 HydrophobicContact CG2-CG 3.74Å; T1257-R1289 PolarHBondContact OG1-NH2 3.49Å; L1285-R1289 WeakPolarHBondContact O-CB 3.43Å; L1285-R1289 VanDerWaalsContact O-CG 3.29Å; L1285-R1289 WeakPolarHBondContact O-CG 3.3Å; L1285-R1289 PolarHBondContact O-N 3.25Å; F1286-R1289 PolarHBondContact O-N 3.34Å; L1287-R1289 VanDerWaalsContact C-N 3.32Å; L1287-R1289 PolarHBondContact O-N 2.99Å; R1289-S1292 WeakPolarHBondContact CA-OG 3.36Å; R1289-S1292 PolarHBondContact O-N 2.92Å; R1289-S1292 PolarHBondContact O-OG 2.97Å; R1289-S1293 VanDerWaalsContact O-CB 3.28Å; R1289-S1293 WeakPolarHBondContact O-CB 3.38Å; R1289-S1293 PolarHBondContact O-N 2.95Å; R1289-S1293 PolarHBondContact O-OG 2.98Å
1290L77.6Confident73.6Confident2.6 Ų2.628.4 Ų28.41%0.01414%0.144CC..Hα-helixtrans-64.6-48.5169.3-79.4179.9000112.9A1169 Y1247 S1250 F1286 L1287 S1288 S1292 S1293 S1294 F1297A1169-L1290 HydrophobicContact CB-CD1 4.23Å; Y1247-L1290 HydrophobicContact CD1-CD1 4.1Å; Y1247-L1290 HydrophobicContact CD1-CD2 3.39Å; Y1247-L1290 VanDerWaalsContact CD1-CD2 3.45Å; Y1247-L1290 HydrophobicContact CD1-CG 4.42Å; Y1247-L1290 HydrophobicContact CE1-CD1 4.28Å; Y1247-L1290 HydrophobicContact CE1-CD2 3.84Å; Y1247-L1290 HydrophobicContact CG-CD2 4.18Å; S1250-L1290 WeakPolarHBondContact OG-CD2 3.31Å; S1250-L1290 WeakPolarHBondContact OG-CG 3.32Å; S1250-L1290 PolarHBondContact OG-N 2.92Å; F1286-L1290 HydrophobicContact CD1-CD1 3.86Å; F1286-L1290 HydrophobicContact CD1-CG 4.4Å; F1286-L1290 HydrophobicContact CD2-CG 4.43Å; F1286-L1290 HydrophobicContact CE1-CD1 3.27Å; F1286-L1290 HydrophobicContact CE1-CG 4.04Å; F1286-L1290 HydrophobicContact CE2-CD1 4.33Å; F1286-L1290 HydrophobicContact CE2-CD2 4.4Å; F1286-L1290 HydrophobicContact CE2-CG 4.25Å; F1286-L1290 HydrophobicContact CG-CD1 4.41Å; F1286-L1290 HydrophobicContact CZ-CD1 3.55Å; F1286-L1290 HydrophobicContact CZ-CD2 4.24Å; F1286-L1290 HydrophobicContact CZ-CG 3.94Å; F1286-L1290 WeakPolarHBondContact O-CB 3.3Å; F1286-L1290 WeakPolarHBondContact O-CG 3.4Å; F1286-L1290 PolarHBondContact O-N 3.08Å; L1287-L1290 PolarHBondContact O-N 3Å; S1288-L1290 VanDerWaalsContact C-N 3.31Å; S1288-L1290 PolarHBondContact O-N 2.9Å; L1290-S1292 VanDerWaalsContact C-N 3.32Å; L1290-S1292 PolarHBondContact O-N 3.21Å; L1290-S1293 PolarHBondContact O-N 3.26Å; L1290-S1293 PolarHBondContact O-OG 2.99Å; L1290-S1294 WeakPolarHBondContact O-CB 3.47Å; L1290-S1294 PolarHBondContact O-N 3.01Å; L1290-S1294 VanDerWaalsContact O-N 3.1Å; L1290-F1297 HydrophobicContact CB-CD1 4.29Å
1291E75.6Confident73.3Confident4.8 Ų4.827 Ų272%0.02214%0.138CC..Hα-helixtrans-65.9-35-179-72.5-173.1150.900111.8L1287 S1288 F1297 Y1298 G1299 H1334 V1335L1287-E1291 WeakPolarHBondContact O-CB 3.32Å; L1287-E1291 WeakPolarHBondContact O-CG 3.32Å; L1287-E1291 PolarHBondContact O-N 3.23Å; S1288-E1291 PolarHBondContact O-N 3.25Å; E1291-F1297 HydrophobicContact CG-CD1 4.05Å; E1291-F1297 HydrophobicContact CG-CE1 4.44Å; E1291-Y1298 HydrophobicContact CB-CD2 4.34Å; E1291-Y1298 WeakPolarHBondContact O-CD2 3.28Å; E1291-G1299 PolarHBondContact OE1-N 3.28Å; E1291-H1334 IonicContact OE1-CD2 3.12Å; E1291-H1334 PolarHBondContact OE1-CD2 3.08Å; E1291-H1334 VanDerWaalsContact OE1-CD2 3.31Å; E1291-H1334 IonicContact OE1-CE1 2.73Å; E1291-H1334 PolarHBondContact OE1-CE1 2.62Å; E1291-H1334 IonicContact OE1-ND1 3.53Å; E1291-H1334 PolarHBondContact OE1-ND1 3.09Å; E1291-H1334 WeakPolarHBondContact OE2-CB 3.37Å; E1291-H1334 IonicContact OE2-CD2 3.37Å; E1291-H1334 PolarHBondContact OE2-CD2 3.09Å; E1291-H1334 IonicContact OE2-CE1 2.92Å; E1291-H1334 IonicContact OE2-CG 3.11Å; E1291-H1334 IonicContact OE2-ND1 3.69Å; E1291-H1334 PolarHBondContact OE2-ND1 2.99Å; E1291-V1335 VanDerWaalsContact OE2-CG2 3.27Å; E1291-V1335 WeakPolarHBondContact OE2-CG2 3.35Å
1292S69.7Low72.8Confident54.2 Ų54.227.7 Ų27.738%0.37915%0.145SC..Hα-helixtrans-74.2-30.2174.324.40000114.3S1288 R1289 L1290 D1332S1288-S1292 WeakPolarHBondContact O-CB 3.37Å; S1288-S1292 PolarHBondContact O-N 3Å; S1288-S1292 VanDerWaalsContact O-N 3.1Å; S1288-S1292 PolarHBondContact O-OG 3.05Å; S1288-S1292 VanDerWaalsContact O-OG 3.12Å; R1289-S1292 WeakPolarHBondContact CA-OG 3.36Å; R1289-S1292 PolarHBondContact O-N 2.92Å; R1289-S1292 PolarHBondContact O-OG 2.97Å; L1290-S1292 VanDerWaalsContact C-N 3.32Å; L1290-S1292 PolarHBondContact O-N 3.21Å; S1292-D1332 PolarHBondContact OG-OD2 3.11Å
1293S65.6Low72.5Confident19.8 Ų19.835.4 Ų35.414%0.13818%0.179CC..Hα-helixtrans-89.5-26.4-176.3106.80000113.7S1250 R1289 L1290S1250-S1293 PolarHBondContact OG-OG 3.04Å; S1250-S1293 VanDerWaalsContact OG-OG 3.1Å; R1289-S1293 VanDerWaalsContact O-CB 3.28Å; R1289-S1293 WeakPolarHBondContact O-CB 3.38Å; R1289-S1293 PolarHBondContact O-N 2.95Å; R1289-S1293 PolarHBondContact O-OG 2.98Å; L1290-S1293 PolarHBondContact O-N 3.26Å; L1290-S1293 PolarHBondContact O-OG 2.99Å
1294S64.6Low72.2Confident4.2 Ų4.239.9 Ų39.93%0.02920%0.196CC..  trans-118.2106.3-176.7-177.70000112.7Y1220 L1290 V1296 F1297 Y1298Y1220-S1294 WeakPolarHBondContact CE1-OG 3.28Å; L1290-S1294 WeakPolarHBondContact O-CB 3.47Å; L1290-S1294 PolarHBondContact O-N 3.01Å; L1290-S1294 VanDerWaalsContact O-N 3.1Å; S1294-V1296 PolarHBondContact O-N 3.22Å; S1294-V1296 VanDerWaalsContact O-N 3.1Å; S1294-V1296 WeakPolarHBondContact OG-CB 3.38Å; S1294-V1296 PolarHBondContact OG-N 3.04Å; S1294-F1297 PolarHBondContact O-N 2.91Å; S1294-F1297 VanDerWaalsContact O-N 3.12Å; S1294-F1297 PolarHBondContact OG-N 3.31Å; S1294-Y1298 PolarHBondContact O-N 3.11Å; S1294-Y1298 VanDerWaalsContact O-N 3.12Å
1295K61.9Low72.1Confident152.4 Ų152.440.4 Ų40.466%0.66320%0.199SC*.THydrogen-bonded Turntrans-55.9-23.4168.3-65.5179.3-175.61710112.9E1221E1221-K1295 WeakPolarHBondContact OE2-CE 3.19Å; E1221-K1295 IonicContact OE2-NZ 3.31Å; E1221-K1295 PolarHBondContact OE2-NZ 2.74Å
1296V59.8Low72.1Confident79 Ų7950.4 Ų50.448%0.47924%0.236SC..THydrogen-bonded Turntrans-78.4-32.9178-175.80000111.6V1219 Y1220 S1294 V1300V1219-V1296 HydrophobicContact CB-CG2 3.98Å; V1219-V1296 HydrophobicContact CG1-CG2 3.46Å; Y1220-V1296 HydrophobicContact CE1-CB 4.35Å; Y1220-V1296 HydrophobicContact CE1-CG2 3.75Å; Y1220-V1296 WeakPolarHBondContact OH-CG2 3.37Å; S1294-V1296 PolarHBondContact O-N 3.22Å; S1294-V1296 VanDerWaalsContact O-N 3.1Å; S1294-V1296 WeakPolarHBondContact OG-CB 3.38Å; S1294-V1296 PolarHBondContact OG-N 3.04Å; V1296-V1300 VanDerWaalsContact O-CG2 3.26Å; V1296-V1300 WeakPolarHBondContact O-CG2 3.36Å
1297F63Low72.2Confident11.8 Ų11.851.9 Ų51.95%0.05224%0.244CC..THydrogen-bonded Turntrans-90.8-17.6-178.8-134-97.4000114D1165 L1166 A1169 Y1247 L1287 L1290 E1291 S1294 G1299 V1300 L1301D1165-F1297 HydrophobicContact CB-CE2 3.84Å; D1165-F1297 HydrophobicContact CB-CZ 3.76Å; D1165-F1297 WeakPolarHBondContact O-CZ 3.35Å; L1166-F1297 HydrophobicContact CD1-CE2 4.08Å; L1166-F1297 HydrophobicContact CD1-CZ 4.2Å; A1169-F1297 HydrophobicContact CB-CD1 4.36Å; A1169-F1297 HydrophobicContact CB-CD2 4.36Å; A1169-F1297 HydrophobicContact CB-CE1 3.96Å; A1169-F1297 HydrophobicContact CB-CE2 3.48Å; A1169-F1297 VanDerWaalsContact CB-CE2 3.45Å; A1169-F1297 HydrophobicContact CB-CZ 3.89Å; A1169-F1297 VanDerWaalsContact CB-CZ 3.44Å; Y1247-F1297 HydrophobicContact CE1-CE2 4.31Å; Y1247-F1297 AromaticContact CE1-CZ 3.98Å; Y1247-F1297 HydrophobicContact CE1-CZ 4.23Å; Y1247-F1297 WeakPolarHBondContact OH-CD2 3.22Å; Y1247-F1297 WeakPolarHBondContact OH-CE2 3.16Å; Y1247-F1297 VanDerWaalsContact OH-CZ 3.31Å; Y1247-F1297 WeakPolarHBondContact OH-CZ 3.07Å; L1287-F1297 HydrophobicContact CD2-CE1 4.2Å; L1290-F1297 HydrophobicContact CB-CD1 4.29Å; E1291-F1297 HydrophobicContact CG-CD1 4.05Å; E1291-F1297 HydrophobicContact CG-CE1 4.44Å; S1294-F1297 PolarHBondContact O-N 2.91Å; S1294-F1297 VanDerWaalsContact O-N 3.12Å; S1294-F1297 PolarHBondContact OG-N 3.31Å; F1297-G1299 PolarHBondContact O-N 3.2Å; F1297-G1299 VanDerWaalsContact O-N 3.1Å; F1297-V1300 HydrophobicContact CD2-CB 4.39Å; F1297-V1300 HydrophobicContact CE2-CB 4.49Å; F1297-V1300 HydrophobicContact CE2-CG1 4.43Å; F1297-V1300 VanDerWaalsContact O-CB 3.31Å; F1297-V1300 WeakPolarHBondContact O-CB 3.36Å; F1297-V1300 WeakPolarHBondContact O-CG2 3.24Å; F1297-V1300 PolarHBondContact O-N 3.26Å; F1297-L1301 HydrophobicContact CE1-CB 4.15Å; F1297-L1301 HydrophobicContact CZ-CB 4.31Å
1298Y61.9Low72.4Confident114.8 Ų114.851.9 Ų51.945%0.4524%0.244SC..THydrogen-bonded Turntrans-51.5114.5-179-171.3-96.6000112.3E1291 S1294 V1300 H1334E1291-Y1298 HydrophobicContact CB-CD2 4.34Å; E1291-Y1298 WeakPolarHBondContact O-CD2 3.28Å; S1294-Y1298 PolarHBondContact O-N 3.11Å; S1294-Y1298 VanDerWaalsContact O-N 3.12Å; Y1298-V1300 VanDerWaalsContact C-N 3.27Å; Y1298-V1300 PolarHBondContact O-N 3.36Å; Y1298-H1334 HydrophobicContact CE2-CB 4.26Å
1299G65.1Low72.7Confident8.2 Ų8.253.4 Ų53.49%0.08525%0.254CS..THydrogen-bonded Turntrans75.51-179.900000116.2E1291 F1297 S1302 K1303 H1334E1291-G1299 PolarHBondContact OE1-N 3.28Å; F1297-G1299 PolarHBondContact O-N 3.2Å; F1297-G1299 VanDerWaalsContact O-N 3.1Å; G1299-S1302 PolarHBondContact O-N 3.2Å; G1299-S1302 PolarHBondContact O-OG 3.08Å; G1299-S1302 VanDerWaalsContact O-OG 3.14Å; G1299-K1303 WeakPolarHBondContact O-CG 3.37Å; G1299-K1303 PolarHBondContact O-N 3.12Å; G1299-H1334 WeakPolarHBondContact CA-NE2 3.37Å
1300V70.9Confident73Confident34.6 Ų34.657.3 Ų57.321%0.2128%0.283CS..Hα-helixtrans-66.6-45179.1174.10000110.8V1296 F1297 Y1298 S1302 K1303 R1304V1296-V1300 VanDerWaalsContact O-CG2 3.26Å; V1296-V1300 WeakPolarHBondContact O-CG2 3.36Å; F1297-V1300 HydrophobicContact CD2-CB 4.39Å; F1297-V1300 HydrophobicContact CE2-CB 4.49Å; F1297-V1300 HydrophobicContact CE2-CG1 4.43Å; F1297-V1300 VanDerWaalsContact O-CB 3.31Å; F1297-V1300 WeakPolarHBondContact O-CB 3.36Å; F1297-V1300 WeakPolarHBondContact O-CG2 3.24Å; F1297-V1300 PolarHBondContact O-N 3.26Å; Y1298-V1300 VanDerWaalsContact C-N 3.27Å; Y1298-V1300 PolarHBondContact O-N 3.36Å; V1300-S1302 VanDerWaalsContact C-N 3.34Å; V1300-S1302 PolarHBondContact O-N 3.2Å; V1300-K1303 PolarHBondContact O-N 3.11Å; V1300-R1304 HydrophobicContact CG1-CG 4.25Å; V1300-R1304 VanDerWaalsContact O-CB 3.29Å; V1300-R1304 WeakPolarHBondContact O-CB 3.37Å; V1300-R1304 WeakPolarHBondContact O-CG 3.31Å; V1300-R1304 PolarHBondContact O-N 3.02Å
1301L72.6Confident73.4Confident5.6 Ų5.659.5 Ų59.53%0.02931%0.307CS..Hα-helixtrans-65.8-41.8-176-169.967.8000112L1166 L1170 L1287 F1297 K1303 R1304 L1305 L1308 L1316 L1338L1166-L1301 HydrophobicContact CD1-CD1 4.06Å; L1170-L1301 HydrophobicContact CD2-CD1 4.42Å; L1287-L1301 HydrophobicContact CD1-CD2 3.6Å; L1287-L1301 HydrophobicContact CD2-CB 4.46Å; L1287-L1301 HydrophobicContact CD2-CD2 3.63Å; L1287-L1301 HydrophobicContact CG-CD2 4.22Å; F1297-L1301 HydrophobicContact CE1-CB 4.15Å; F1297-L1301 HydrophobicContact CZ-CB 4.31Å; L1301-K1303 VanDerWaalsContact C-N 3.31Å; L1301-K1303 PolarHBondContact O-N 3.02Å; L1301-R1304 CarbonylContact O-C 3.39Å; L1301-R1304 PolarHBondContact O-N 3.34Å; L1301-L1305 HydrophobicContact CD2-CD1 4.14Å; L1301-L1305 HydrophobicContact CG-CD1 4.03Å; L1301-L1305 HydrophobicContact CG-CG 4.32Å; L1301-L1305 VanDerWaalsContact O-CB 3.26Å; L1301-L1305 WeakPolarHBondContact O-CB 3.33Å; L1301-L1305 PolarHBondContact O-N 3.14Å; L1301-L1308 HydrophobicContact CD1-CD1 4.25Å; L1301-L1316 HydrophobicContact CD1-CD1 4.08Å; L1301-L1316 HydrophobicContact CD2-CD1 4.26Å; L1301-L1338 HydrophobicContact CD2-CD2 3.96Å; L1301-L1338 HydrophobicContact CG-CD2 4.35Å
1302S70.6Confident73.9Confident38.8 Ų38.859.9 Ų59.927%0.27131%0.309SS..Hα-helixtrans-62.4-37.9179.364.20000113.4G1299 V1300 H1334G1299-S1302 PolarHBondContact O-N 3.2Å; G1299-S1302 PolarHBondContact O-OG 3.08Å; G1299-S1302 VanDerWaalsContact O-OG 3.14Å; V1300-S1302 VanDerWaalsContact C-N 3.34Å; V1300-S1302 PolarHBondContact O-N 3.2Å; S1302-H1334 WeakPolarHBondContact CB-CE1 3.39Å; S1302-H1334 VanDerWaalsContact CB-NE2 3.26Å; S1302-H1334 WeakPolarHBondContact CB-NE2 3.33Å; S1302-H1334 PolarHBondContact OG-CE1 3.22Å; S1302-H1334 VanDerWaalsContact OG-CE1 3.23Å; S1302-H1334 PolarHBondContact OG-NE2 3.21Å
1303K74.6Confident74.7Confident161 Ų16157.8 Ų57.870%0.729%0.294SS*.Hα-helixtrans-71.2-44.2175.1-68.4176.7-179176.90111.2G1299 V1300 L1301G1299-K1303 WeakPolarHBondContact O-CG 3.37Å; G1299-K1303 PolarHBondContact O-N 3.12Å; V1300-K1303 PolarHBondContact O-N 3.11Å; L1301-K1303 VanDerWaalsContact C-N 3.31Å; L1301-K1303 PolarHBondContact O-N 3.02Å
1304R75.8Confident75.7Confident94.8 Ų94.862.1 Ų62.136%0.35831%0.313SS..Hα-helixtrans-80.7-15.9-177.3-67.3-169.7-178.9-171.16.8114.7E1063 L1166 V1300 L1301 R1306 V1307 L1308E1063-R1304 IonicContact OE1-CZ 3Å; E1063-R1304 IonicContact OE1-NH1 2.99Å; E1063-R1304 PolarHBondContact OE1-NH1 3.1Å; E1063-R1304 IonicContact OE1-NH2 3.57Å; L1166-R1304 VanDerWaalsContact CD2-NH1 3.3Å; V1300-R1304 HydrophobicContact CG1-CG 4.25Å; V1300-R1304 VanDerWaalsContact O-CB 3.29Å; V1300-R1304 WeakPolarHBondContact O-CB 3.37Å; V1300-R1304 WeakPolarHBondContact O-CG 3.31Å; V1300-R1304 PolarHBondContact O-N 3.02Å; L1301-R1304 CarbonylContact O-C 3.39Å; L1301-R1304 PolarHBondContact O-N 3.34Å; R1304-R1306 PolarHBondContact O-N 3.14Å; R1304-R1306 VanDerWaalsContact O-N 3.09Å; R1304-V1307 CarbonylContact O-C 3.43Å; R1304-V1307 WeakPolarHBondContact O-CA 3.35Å; R1304-V1307 WeakPolarHBondContact O-CB 3.44Å; R1304-V1307 PolarHBondContact O-N 3.2Å; R1304-L1308 PolarHBondContact O-N 3.09Å
1305L80.6Confident76.8Confident13 Ų1363.9 Ų63.97%0.06832%0.322CS..THydrogen-bonded Turntrans-61.4-21.7-178.8-162.778.1000114.2L1301 L1308 S1313 L1316 R1317 L1320 L1338L1301-L1305 HydrophobicContact CD2-CD1 4.14Å; L1301-L1305 HydrophobicContact CG-CD1 4.03Å; L1301-L1305 HydrophobicContact CG-CG 4.32Å; L1301-L1305 VanDerWaalsContact O-CB 3.26Å; L1301-L1305 WeakPolarHBondContact O-CB 3.33Å; L1301-L1305 PolarHBondContact O-N 3.14Å; L1305-L1308 HydrophobicContact CD1-CD1 4.26Å; L1305-L1308 HydrophobicContact CD2-CD1 4.19Å; L1305-L1308 HydrophobicContact CG-CD1 4.3Å; L1305-S1313 PolarHBondContact O-OG 3.24Å; L1305-L1316 HydrophobicContact CD1-CB 4Å; L1305-L1316 HydrophobicContact CD1-CD1 3.76Å; L1305-L1316 HydrophobicContact CD2-CB 4Å; L1305-L1316 HydrophobicContact CD2-CD1 3.82Å; L1305-L1316 HydrophobicContact CG-CD1 4.25Å; L1305-R1317 HydrophobicContact CD2-CG 4.49Å; L1305-R1317 PolarHBondContact O-NH2 3.23Å; L1305-L1320 HydrophobicContact CD1-CD1 4.25Å; L1305-L1320 HydrophobicContact CD2-CD1 4.11Å; L1305-L1338 HydrophobicContact CD1-CD1 3.83Å; L1305-L1338 HydrophobicContact CD1-CD2 3.87Å; L1305-L1338 HydrophobicContact CD1-CG 4.26Å; L1305-L1338 HydrophobicContact CD2-CD1 3.98Å
1306R81.2Confident77.9Confident219.4 Ų219.457.1 Ų57.183%0.82829%0.293SS*.THydrogen-bonded Turntrans-82.2-17.3172.2-62.9-175.8-176.5-176.31113.8R1304R1304-R1306 PolarHBondContact O-N 3.14Å; R1304-R1306 VanDerWaalsContact O-N 3.09Å
1307V85.3Confident79.2Confident30.4 Ų30.458.8 Ų58.818%0.18429%0.291CS..THydrogen-bonded Turntrans-109.8-19.7-169.6-175.40000111.5N1067 S1068 I1069 R1304N1067-V1307 HydrophobicContact CB-CG1 4.33Å; N1067-V1307 WeakPolarHBondContact OD1-CG1 3.39Å; S1068-V1307 WeakPolarHBondContact CB-O 3.34Å; S1068-V1307 PolarHBondContact N-O 3.05Å; S1068-V1307 PolarHBondContact OG-O 3.16Å; S1068-V1307 VanDerWaalsContact OG-O 3.12Å; I1069-V1307 HydrophobicContact CD1-CG1 3.79Å; I1069-V1307 HydrophobicContact CD1-CG2 4.02Å; I1069-V1307 HydrophobicContact CG1-CG1 3.99Å; R1304-V1307 CarbonylContact O-C 3.43Å; R1304-V1307 WeakPolarHBondContact O-CA 3.35Å; R1304-V1307 WeakPolarHBondContact O-CB 3.44Å; R1304-V1307 PolarHBondContact O-N 3.2Å
1308L85.8Confident80.3Confident7.4 Ų7.461 Ų614%0.03930%0.303CS..SBendtrans-57.7146.2171.1-80.2173.5000112.3L1066 L1166 L1170 L1301 R1304 L1305 L1316L1066-L1308 HydrophobicContact CB-CD2 4.15Å; L1066-L1308 HydrophobicContact CD2-CD2 4.43Å; L1066-L1308 WeakPolarHBondContact O-CA 3.35Å; L1166-L1308 HydrophobicContact CD2-CD2 3.99Å; L1170-L1308 HydrophobicContact CD1-CD2 3.89Å; L1170-L1308 HydrophobicContact CD2-CD1 4.41Å; L1301-L1308 HydrophobicContact CD1-CD1 4.25Å; R1304-L1308 PolarHBondContact O-N 3.09Å; L1305-L1308 HydrophobicContact CD1-CD1 4.26Å; L1305-L1308 HydrophobicContact CD2-CD1 4.19Å; L1305-L1308 HydrophobicContact CG-CD1 4.3Å; L1308-L1316 HydrophobicContact CD1-CD1 3.88Å
1309P86.3Confident81.4Confident34.2 Ų34.256.8 Ų56.822%0.22229%0.287CS..  trans-50140.9171-28.935.3000112.1K1065 L1066 G1311 L1312 S1313K1065-P1309 WeakPolarHBondContact O-CG 3.41Å; L1066-P1309 VanDerWaalsContact O-CD 3.3Å; L1066-P1309 WeakPolarHBondContact O-CD 3.24Å; P1309-G1311 VanDerWaalsContact C-N 3.29Å; P1309-G1311 PolarHBondContact O-N 3.2Å; P1309-G1311 VanDerWaalsContact O-N 3.14Å; P1309-L1312 PolarHBondContact O-N 3.21Å; P1309-L1312 VanDerWaalsContact O-N 3.14Å; P1309-S1313 WeakPolarHBondContact O-CB 3.39Å; P1309-S1313 PolarHBondContact O-N 3.06Å
1310P84.3Confident82.4Confident111.4 Ų111.457.1 Ų57.172%0.72329%0.286SS*.Hα-helixtrans-57.8-36.5-169.110.6-20000113.6S1313 M1314P1310-S1313 PolarHBondContact O-N 3.29Å; P1310-S1313 PolarHBondContact O-OG 2.91Å; P1310-M1314 VanDerWaalsContact O-CB 3.24Å; P1310-M1314 WeakPolarHBondContact O-CB 3.38Å; P1310-M1314 PolarHBondContact O-N 3.16Å
1311G85.6Confident83.2Confident49.2 Ų49.259.1 Ų59.151%0.50730%0.302SS..Hα-helixtrans-60.9-50.9176.800000113.4P1309 S1313 M1314 I1315P1309-G1311 VanDerWaalsContact C-N 3.29Å; P1309-G1311 PolarHBondContact O-N 3.2Å; P1309-G1311 VanDerWaalsContact O-N 3.14Å; G1311-S1313 VanDerWaalsContact C-N 3.34Å; G1311-S1313 PolarHBondContact O-N 3Å; G1311-M1314 WeakPolarHBondContact O-CB 3.26Å; G1311-M1314 PolarHBondContact O-N 3.04Å; G1311-I1315 WeakPolarHBondContact O-CG1 3.17Å; G1311-I1315 PolarHBondContact O-N 3.21Å; G1311-I1315 VanDerWaalsContact O-N 3.15Å
1312L85.8Confident83.7Confident13.2 Ų13.265.8 Ų65.87%0.06933%0.327CS..Hα-helixtrans-68-39.3178.2-64.5174000111.5L1066 L1134 L1135 L1170 P1309 M1314 I1315 L1316L1066-L1312 HydrophobicContact CD2-CD1 3.54Å; L1134-L1312 HydrophobicContact CD2-CD1 4.4Å; L1135-L1312 HydrophobicContact CD2-CD1 4.23Å; L1135-L1312 HydrophobicContact CD2-CD2 4.28Å; L1135-L1312 HydrophobicContact CD2-CG 4.18Å; L1170-L1312 HydrophobicContact CD1-CD1 4.24Å; P1309-L1312 PolarHBondContact O-N 3.21Å; P1309-L1312 VanDerWaalsContact O-N 3.14Å; L1312-M1314 VanDerWaalsContact C-N 3.28Å; L1312-M1314 PolarHBondContact O-N 3.18Å; L1312-I1315 PolarHBondContact O-N 3.23Å; L1312-L1316 PolarHBondContact O-N 3.06Å
1313S86.4Confident84.2Confident10 Ų1064 Ų647%0.0731%0.314CS..Hα-helixtrans-60.8-37.8174.1-178.80000111.6L1305 P1309 P1310 G1311 L1316 R1317L1305-S1313 PolarHBondContact O-OG 3.24Å; P1309-S1313 WeakPolarHBondContact O-CB 3.39Å; P1309-S1313 PolarHBondContact O-N 3.06Å; P1310-S1313 PolarHBondContact O-N 3.29Å; P1310-S1313 PolarHBondContact O-OG 2.91Å; G1311-S1313 VanDerWaalsContact C-N 3.34Å; G1311-S1313 PolarHBondContact O-N 3Å; S1313-L1316 PolarHBondContact O-N 3.22Å; S1313-R1317 WeakPolarHBondContact O-CB 3.44Å; S1313-R1317 VanDerWaalsContact O-CD 3.23Å; S1313-R1317 WeakPolarHBondContact O-CD 3.36Å; S1313-R1317 WeakPolarHBondContact O-CG 3.29Å; S1313-R1317 PolarHBondContact O-N 3.22Å; S1313-R1317 PolarHBondContact OG-NE 3.01Å; S1313-R1317 PolarHBondContact OG-NH2 3.04Å
1314M87.5Confident84.7Confident110.8 Ų110.863.3 Ų63.355%0.54631%0.307SS..Hα-helixtrans-67.3-43.1178.6-172.462.217300112.2P1310 G1311 L1312 L1316 R1317 I1318P1310-M1314 VanDerWaalsContact O-CB 3.24Å; P1310-M1314 WeakPolarHBondContact O-CB 3.38Å; P1310-M1314 PolarHBondContact O-N 3.16Å; G1311-M1314 WeakPolarHBondContact O-CB 3.26Å; G1311-M1314 PolarHBondContact O-N 3.04Å; L1312-M1314 VanDerWaalsContact C-N 3.28Å; L1312-M1314 PolarHBondContact O-N 3.18Å; M1314-L1316 PolarHBondContact O-N 3.07Å; M1314-R1317 PolarHBondContact O-N 3Å; M1314-I1318 HydrophobicContact CE-CD1 4.19Å; M1314-I1318 HydrophobicContact CE-CG1 4.2Å; M1314-I1318 HydrophobicContact CG-CD1 3.99Å; M1314-I1318 HydrophobicContact CG-CG1 4.47Å; M1314-I1318 VanDerWaalsContact O-CG1 3.28Å; M1314-I1318 WeakPolarHBondContact O-CG1 3.35Å; M1314-I1318 PolarHBondContact O-N 3Å; M1314-I1318 HydrophobicContact SD-CG1 4.47Å
1315I86.8Confident84.9Confident41.8 Ų41.865.4 Ų65.421%0.21433%0.325CS..Hα-helixtrans-56.9-50.7176.2-66167.7000110.4F1142 G1311 L1312 R1317 I1318 F1319F1142-I1315 HydrophobicContact CE2-CD1 4.24Å; F1142-I1315 HydrophobicContact CZ-CD1 4.45Å; G1311-I1315 WeakPolarHBondContact O-CG1 3.17Å; G1311-I1315 PolarHBondContact O-N 3.21Å; G1311-I1315 VanDerWaalsContact O-N 3.15Å; L1312-I1315 PolarHBondContact O-N 3.23Å; I1315-R1317 VanDerWaalsContact C-N 3.34Å; I1315-R1317 PolarHBondContact O-N 3.12Å; I1315-I1318 PolarHBondContact O-N 3.2Å; I1315-F1319 HydrophobicContact CG2-CD2 4.37Å; I1315-F1319 HydrophobicContact CG2-CE1 4.1Å; I1315-F1319 HydrophobicContact CG2-CE2 3.78Å; I1315-F1319 HydrophobicContact CG2-CZ 3.62Å; I1315-F1319 WeakPolarHBondContact O-CD1 3.31Å; I1315-F1319 WeakPolarHBondContact O-CG 3.4Å; I1315-F1319 PolarHBondContact O-N 3.04Å; I1315-F1319 VanDerWaalsContact O-N 3.1Å
1316L85.9Confident84.8Confident9.6 Ų9.669.7 Ų69.75%0.0534%0.344CS..Hα-helixtrans-61.3-41.6177.4-66.8177.2000112.3L1170 V1173 L1287 L1301 L1305 L1308 L1312 S1313 M1314 I1318 F1319 L1320L1170-L1316 HydrophobicContact CD2-CD1 3.78Å; L1170-L1316 HydrophobicContact CD2-CD2 4.43Å; L1170-L1316 HydrophobicContact CD2-CG 4.46Å; V1173-L1316 HydrophobicContact CG1-CD2 3.92Å; L1287-L1316 HydrophobicContact CD1-CD2 4.32Å; L1301-L1316 HydrophobicContact CD1-CD1 4.08Å; L1301-L1316 HydrophobicContact CD2-CD1 4.26Å; L1305-L1316 HydrophobicContact CD1-CB 4Å; L1305-L1316 HydrophobicContact CD1-CD1 3.76Å; L1305-L1316 HydrophobicContact CD2-CB 4Å; L1305-L1316 HydrophobicContact CD2-CD1 3.82Å; L1305-L1316 HydrophobicContact CG-CD1 4.25Å; L1308-L1316 HydrophobicContact CD1-CD1 3.88Å; L1312-L1316 PolarHBondContact O-N 3.06Å; S1313-L1316 PolarHBondContact O-N 3.22Å; M1314-L1316 PolarHBondContact O-N 3.07Å; L1316-I1318 VanDerWaalsContact C-N 3.33Å; L1316-I1318 PolarHBondContact O-N 3.29Å; L1316-F1319 PolarHBondContact O-N 3.34Å; L1316-L1320 WeakPolarHBondContact O-CB 3.34Å; L1316-L1320 VanDerWaalsContact O-CG 3.27Å; L1316-L1320 WeakPolarHBondContact O-CG 3.34Å; L1316-L1320 PolarHBondContact O-N 3.2Å
1317R86.8Confident84.8Confident115 Ų11561 Ų6143%0.43432%0.316SS..Hα-helixtrans-64.6-35.3176.9-73.2165.2-168.7-81.5-1.3112.5L1305 S1313 M1314 I1315 S1321L1305-R1317 HydrophobicContact CD2-CG 4.49Å; L1305-R1317 PolarHBondContact O-NH2 3.23Å; S1313-R1317 WeakPolarHBondContact O-CB 3.44Å; S1313-R1317 VanDerWaalsContact O-CD 3.23Å; S1313-R1317 WeakPolarHBondContact O-CD 3.36Å; S1313-R1317 WeakPolarHBondContact O-CG 3.29Å; S1313-R1317 PolarHBondContact O-N 3.22Å; S1313-R1317 PolarHBondContact OG-NE 3.01Å; S1313-R1317 PolarHBondContact OG-NH2 3.04Å; M1314-R1317 PolarHBondContact O-N 3Å; I1315-R1317 VanDerWaalsContact C-N 3.34Å; I1315-R1317 PolarHBondContact O-N 3.12Å; R1317-S1321 WeakPolarHBondContact O-CB 3.35Å; R1317-S1321 PolarHBondContact O-N 3.14Å; R1317-S1321 PolarHBondContact O-OG 3.05Å
1318I86.9Confident84.5Confident58.4 Ų58.459.7 Ų59.730%0.29931%0.308SS..Hα-helixtrans-65.1-44.3173.9-69.6163000110.3M1314 I1315 L1316 S1321 R1322M1314-I1318 HydrophobicContact CE-CD1 4.19Å; M1314-I1318 HydrophobicContact CE-CG1 4.2Å; M1314-I1318 HydrophobicContact CG-CD1 3.99Å; M1314-I1318 HydrophobicContact CG-CG1 4.47Å; M1314-I1318 VanDerWaalsContact O-CG1 3.28Å; M1314-I1318 WeakPolarHBondContact O-CG1 3.35Å; M1314-I1318 PolarHBondContact O-N 3Å; M1314-I1318 HydrophobicContact SD-CG1 4.47Å; I1315-I1318 PolarHBondContact O-N 3.2Å; L1316-I1318 VanDerWaalsContact C-N 3.33Å; L1316-I1318 PolarHBondContact O-N 3.29Å; I1318-S1321 PolarHBondContact O-N 3.02Å; I1318-S1321 PolarHBondContact O-OG 3.16Å; I1318-S1321 VanDerWaalsContact O-OG 3.1Å; I1318-R1322 WeakPolarHBondContact O-CG 3.35Å; I1318-R1322 PolarHBondContact O-N 3Å; I1318-R1322 VanDerWaalsContact O-N 3.12Å
1319F85.2Confident83.9Confident26 Ų2662.6 Ų62.611%0.11433%0.328CS..Hα-helixtrans-61.9-51177.1-63-10.1000111.4V1173 A1177 Q1280 A1283 I1315 L1316 S1321 R1322 C1323V1173-F1319 HydrophobicContact CG1-CD2 4.27Å; V1173-F1319 HydrophobicContact CG1-CE2 4.12Å; A1177-F1319 HydrophobicContact CB-CE2 4.31Å; A1177-F1319 HydrophobicContact CB-CZ 4.24Å; Q1280-F1319 HydrophobicContact CB-CB 4.45Å; Q1280-F1319 HydrophobicContact CB-CD1 4.46Å; Q1280-F1319 HydrophobicContact CG-CB 4.41Å; Q1280-F1319 HydrophobicContact CG-CD1 3.68Å; Q1280-F1319 HydrophobicContact CG-CE1 4.26Å; Q1280-F1319 HydrophobicContact CG-CG 4.26Å; A1283-F1319 HydrophobicContact CB-CD2 3.84Å; A1283-F1319 HydrophobicContact CB-CE2 4.06Å; A1283-F1319 HydrophobicContact CB-CG 4.47Å; I1315-F1319 HydrophobicContact CG2-CD2 4.37Å; I1315-F1319 HydrophobicContact CG2-CE1 4.1Å; I1315-F1319 HydrophobicContact CG2-CE2 3.78Å; I1315-F1319 HydrophobicContact CG2-CZ 3.62Å; I1315-F1319 WeakPolarHBondContact O-CD1 3.31Å; I1315-F1319 WeakPolarHBondContact O-CG 3.4Å; I1315-F1319 PolarHBondContact O-N 3.04Å; I1315-F1319 VanDerWaalsContact O-N 3.1Å; L1316-F1319 PolarHBondContact O-N 3.34Å; F1319-S1321 VanDerWaalsContact C-N 3.33Å; F1319-S1321 PolarHBondContact O-N 3.06Å; F1319-R1322 PolarHBondContact O-N 3.07Å; F1319-C1323 PolarHBondContact O-N 3.15Å; F1319-C1323 VanDerWaalsContact O-N 3.14Å
1320L86.3Confident83.3Confident13.6 Ų13.667.3 Ų67.37%0.07135%0.351CS..Hα-helixtrans-58.7-43.7176.6-68.7165.6000112.2L1284 L1305 L1316 R1322 C1323 R1324 L1338 M1339L1284-L1320 HydrophobicContact CD1-CD2 4.38Å; L1284-L1320 HydrophobicContact CD2-CD2 3.56Å; L1284-L1320 VanDerWaalsContact CD2-CD2 3.46Å; L1284-L1320 HydrophobicContact CD2-CG 4.17Å; L1305-L1320 HydrophobicContact CD1-CD1 4.25Å; L1305-L1320 HydrophobicContact CD2-CD1 4.11Å; L1316-L1320 WeakPolarHBondContact O-CB 3.34Å; L1316-L1320 VanDerWaalsContact O-CG 3.27Å; L1316-L1320 WeakPolarHBondContact O-CG 3.34Å; L1316-L1320 PolarHBondContact O-N 3.2Å; L1320-R1322 PolarHBondContact O-N 2.88Å; L1320-C1323 PolarHBondContact O-N 2.97Å; L1320-R1324 WeakPolarHBondContact O-CB 3.36Å; L1320-R1324 PolarHBondContact O-N 3.2Å; L1320-R1324 VanDerWaalsContact O-N 3.15Å; L1320-L1338 HydrophobicContact CD1-CD1 4.44Å; L1320-L1338 HydrophobicContact CD1-CD2 4.23Å; L1320-L1338 HydrophobicContact CD1-CG 3.88Å; L1320-L1338 HydrophobicContact CD2-CB 4.4Å; L1320-L1338 HydrophobicContact CD2-CD2 4.09Å; L1320-L1338 HydrophobicContact CD2-CG 3.92Å; L1320-M1339 HydrophobicContact CD2-CB 4.4Å; L1320-M1339 HydrophobicContact CD2-CG 3.58Å
1321S86.1Confident82.8Confident77.6 Ų77.662.3 Ų62.354%0.54332%0.318SS..Hα-helixtrans-68.7-35.5-177.4172.80000113.2R1317 I1318 F1319 R1324R1317-S1321 WeakPolarHBondContact O-CB 3.35Å; R1317-S1321 PolarHBondContact O-N 3.14Å; R1317-S1321 PolarHBondContact O-OG 3.05Å; I1318-S1321 PolarHBondContact O-N 3.02Å; I1318-S1321 PolarHBondContact O-OG 3.16Å; I1318-S1321 VanDerWaalsContact O-OG 3.1Å; F1319-S1321 VanDerWaalsContact C-N 3.33Å; F1319-S1321 PolarHBondContact O-N 3.06Å; S1321-R1324 VanDerWaalsContact O-CB 3.26Å; S1321-R1324 WeakPolarHBondContact O-CB 3.37Å; S1321-R1324 PolarHBondContact O-N 3.11Å
1322R84.3Confident82.5Confident146.8 Ų146.860.8 Ų60.855%0.55430%0.299SS*.Hα-helixtrans-74.7-43.7178.2-73.3-179.7174.6161.3-1.8111.8Q1280 I1318 F1319 L1320 R1324 L1325Q1280-R1322 VanDerWaalsContact CD-CD 3.44Å; Q1280-R1322 VanDerWaalsContact NE2-NH1 3.14Å; Q1280-R1322 VanDerWaalsContact OE1-CB 3.23Å; I1318-R1322 WeakPolarHBondContact O-CG 3.35Å; I1318-R1322 PolarHBondContact O-N 3Å; I1318-R1322 VanDerWaalsContact O-N 3.12Å; F1319-R1322 PolarHBondContact O-N 3.07Å; L1320-R1322 PolarHBondContact O-N 2.88Å; R1322-R1324 PolarHBondContact O-N 2.94Å; R1322-R1324 VanDerWaalsContact O-N 3.15Å; R1322-L1325 PolarHBondContact O-N 3.15Å
1323C80.7Confident82.2Confident0.6 Ų0.660.4 Ų60.40%0.00430%0.297CS..Hα-helixtrans-71.9-6.9174.3-67.50000113.6Q1280 H1281 L1284 F1319 L1320 L1325 H1326 P1327 M1339Q1280-C1323 VanDerWaalsContact CB-SG 3.54Å; H1281-C1323 PolarHBondContact ND1-SG 3.16Å; H1281-C1323 VanDerWaalsContact ND1-SG 3.39Å; L1284-C1323 HydrophobicContact CD1-CB 3.35Å; L1284-C1323 VanDerWaalsContact CD1-CB 3.47Å; L1284-C1323 WeakPolarHBondContact CD1-SG 3.11Å; F1319-C1323 PolarHBondContact O-N 3.15Å; F1319-C1323 VanDerWaalsContact O-N 3.14Å; L1320-C1323 PolarHBondContact O-N 2.97Å; C1323-L1325 VanDerWaalsContact C-N 3.28Å; C1323-L1325 PolarHBondContact O-N 3.14Å; C1323-H1326 CarbonylContact C-O 3.49Å; C1323-H1326 WeakPolarHBondContact CA-O 3.22Å; C1323-H1326 CarbonylContact O-C 3.37Å; C1323-H1326 PolarHBondContact O-N 2.96Å; C1323-H1326 VanDerWaalsContact O-O 3.06Å; C1323-P1327 VanDerWaalsContact O-CA 3.23Å; C1323-P1327 WeakPolarHBondContact O-CA 3.34Å; C1323-P1327 VanDerWaalsContact O-N 3.1Å; C1323-M1339 VanDerWaalsContact C-CE 3.43Å; C1323-M1339 HydrophobicContact CB-CE 3.63Å; C1323-M1339 WeakPolarHBondContact O-CE 3.35Å
1324R84.5Confident81.8Confident145.8 Ų145.861.5 Ų61.555%0.5530%0.301SS*.THydrogen-bonded Turntrans-62.8-32.2173.1-170.8175.6178-158.6-1.9112.7L1320 S1321 R1322 M1339 G1340 R1341L1320-R1324 WeakPolarHBondContact O-CB 3.36Å; L1320-R1324 PolarHBondContact O-N 3.2Å; L1320-R1324 VanDerWaalsContact O-N 3.15Å; S1321-R1324 VanDerWaalsContact O-CB 3.26Å; S1321-R1324 WeakPolarHBondContact O-CB 3.37Å; S1321-R1324 PolarHBondContact O-N 3.11Å; R1322-R1324 PolarHBondContact O-N 2.94Å; R1322-R1324 VanDerWaalsContact O-N 3.15Å; R1324-M1339 WeakPolarHBondContact CD-O 3.37Å; R1324-M1339 WeakPolarHBondContact CG-O 3.4Å; R1324-G1340 PolarHBondContact NE-O 2.9Å; R1324-G1340 PolarHBondContact NH2-O 3.3Å; R1324-R1341 HydrophobicContact CG-CG 4.38Å; R1324-R1341 WeakPolarHBondContact O-CD 3.41Å
1325L79.6Confident81.5Confident139.8 Ų139.856.2 Ų56.273%0.73228%0.275SS*.THydrogen-bonded Turntrans-77.2-42.3175.6-65.2176.1000111.7R1322 C1323R1322-L1325 PolarHBondContact O-N 3.15Å; C1323-L1325 VanDerWaalsContact C-N 3.28Å; C1323-L1325 PolarHBondContact O-N 3.14Å
1326H79.3Confident81.3Confident102.8 Ų102.855.1 Ų55.148%0.47627%0.268SS..SBendtrans-124.690178.4-60.9-63.7000109.3L1275 H1281 C1323L1275-H1326 HydrophobicContact CD1-CB 4.33Å; L1275-H1326 HydrophobicContact CD2-CB 3.92Å; L1275-H1326 VanDerWaalsContact CD2-CB 3.48Å; H1281-H1326 PolarHBondContact CE1-O 3.23Å; H1281-H1326 PolarHBondContact NE2-O 2.89Å; H1281-H1326 VanDerWaalsContact NE2-O 3.14Å; C1323-H1326 CarbonylContact C-O 3.49Å; C1323-H1326 WeakPolarHBondContact CA-O 3.22Å; C1323-H1326 CarbonylContact O-C 3.37Å; C1323-H1326 PolarHBondContact O-N 2.96Å; C1323-H1326 VanDerWaalsContact O-O 3.06Å
1327P81.9Confident81.2Confident36.8 Ų36.857.6 Ų57.624%0.23929%0.286CS..PPolyproline II helixtrans-76.814417928.6-31.9000110.9C1323 Y1336 M1339 L1344C1323-P1327 VanDerWaalsContact O-CA 3.23Å; C1323-P1327 WeakPolarHBondContact O-CA 3.34Å; C1323-P1327 VanDerWaalsContact O-N 3.1Å; P1327-Y1336 HydrophobicContact CB-CE1 4.18Å; P1327-M1339 HydrophobicContact CB-CE 3.79Å; P1327-L1344 HydrophobicContact CB-CD1 3.87Å; P1327-L1344 HydrophobicContact CG-CD1 3.54Å; P1327-L1344 VanDerWaalsContact CG-CD1 3.49Å
1328P77.5Confident81Confident2.8 Ų2.853.7 Ų53.72%0.01827%0.274CS..PPolyproline II helixtrans-64.7146.6171.7-6.920.1000110.5H1281 L1284 L1285 C1331 Y1336H1281-P1328 HydrophobicContact CB-CG 4.26Å; L1284-P1328 HydrophobicContact CB-CG 4.42Å; L1285-P1328 HydrophobicContact CD1-CB 4.23Å; L1285-P1328 HydrophobicContact CD2-CB 3.84Å; L1285-P1328 HydrophobicContact CD2-CG 4.46Å; L1285-P1328 HydrophobicContact CG-CB 3.89Å; L1285-P1328 HydrophobicContact CG-CG 4.3Å; P1328-C1331 PolarHBondContact O-SG 2.72Å; P1328-Y1336 WeakPolarHBondContact O-CE1 3.31Å; P1328-Y1336 PolarHBondContact O-OH 3.19Å; P1328-Y1336 VanDerWaalsContact O-OH 3.11Å
1329P74.4Confident80.9Confident68 Ų6851.3 Ų51.344%0.44226%0.261SS..THydrogen-bonded Turntrans-69.8154.1171.530.9-34.6000111L1261 C1331L1261-P1329 HydrophobicContact CD1-CG 3.88Å; L1261-P1329 HydrophobicContact CD2-CG 3.92Å; L1261-P1329 HydrophobicContact CG-CG 4.43Å; P1329-C1331 VanDerWaalsContact C-N 3.29Å; P1329-C1331 PolarHBondContact O-N 2.93Å; P1329-C1331 VanDerWaalsContact O-N 3.13Å
1330N72.6Confident80.7Confident132.4 Ų132.451.8 Ų51.871%0.70827%0.274SS*.THydrogen-bonded Turntrans56.731.8173.7-59.8-1000116Y1336N1330-Y1336 PolarHBondContact N-OH 3.22Å
1331C75.7Confident80.7Confident6.6 Ų6.654.3 Ų54.35%0.04528%0.283CS..  trans-71.7156.5167.2-62.90000112.1S1288 P1328 P1329 V1335 Y1336S1288-C1331 WeakPolarHBondContact OG-CA 3.37Å; P1328-C1331 PolarHBondContact O-SG 2.72Å; P1329-C1331 VanDerWaalsContact C-N 3.29Å; P1329-C1331 PolarHBondContact O-N 2.93Å; P1329-C1331 VanDerWaalsContact O-N 3.13Å; C1331-V1335 HydrophobicContact CB-CB 4.37Å; C1331-V1335 HydrophobicContact CB-CG1 4.42Å; C1331-Y1336 HydrophobicContact CB-CD1 4.21Å; C1331-Y1336 HydrophobicContact CB-CD2 4.26Å; C1331-Y1336 HydrophobicContact CB-CE1 3.76Å; C1331-Y1336 HydrophobicContact CB-CE2 3.85Å; C1331-Y1336 HydrophobicContact CB-CG 4.42Å; C1331-Y1336 PolarHBondContact N-OH 2.95Å; C1331-Y1336 VanDerWaalsContact N-OH 3.12Å; C1331-Y1336 VanDerWaalsContact O-CE2 3.22Å; C1331-Y1336 WeakPolarHBondContact O-CE2 3.29Å
1332D78.6Confident80.6Confident18 Ų1854.8 Ų54.810%0.09628%0.283CS..  trans-59.6142.1170.3-169.3-72.2000110.7S1288 S1292 H1334 V1335 Y1336S1288-D1332 PolarHBondContact OG-N 3.31Å; S1292-D1332 PolarHBondContact OG-OD2 3.11Å; D1332-H1334 PolarHBondContact O-N 3.11Å; D1332-H1334 VanDerWaalsContact O-N 3.08Å; D1332-H1334 WeakPolarHBondContact OD1-CB 3.25Å; D1332-H1334 PolarHBondContact OD1-N 3.23Å; D1332-H1334 WeakPolarHBondContact OD2-CB 3.24Å; D1332-H1334 PolarHBondContact OD2-N 3.32Å; D1332-H1334 VanDerWaalsContact OD2-N 3.1Å; D1332-V1335 HydrophobicContact CB-CG2 4.38Å; D1332-V1335 PolarHBondContact O-N 3.11Å; D1332-V1335 VanDerWaalsContact O-N 3.07Å; D1332-Y1336 PolarHBondContact O-N 3.07Å
1333P78.4Confident80.6Confident5 Ų551.1 Ų51.13%0.03227%0.274CS..Hα-helixtrans-50.6-34177.2-25.730.9000114Y1336 S1337 A1345 A1348 H1349P1333-Y1336 PolarHBondContact O-N 3.03Å; P1333-S1337 PolarHBondContact O-N 3.16Å; P1333-S1337 VanDerWaalsContact O-N 3.1Å; P1333-A1345 VanDerWaalsContact O-CB 3.29Å; P1333-A1345 WeakPolarHBondContact O-CB 3.27Å; P1333-A1348 HydrophobicContact CB-CB 4.3Å; P1333-A1348 HydrophobicContact CG-CB 3.76Å; P1333-H1349 VanDerWaalsContact CB-CD2 3.5Å; P1333-H1349 WeakPolarHBondContact CB-CD2 3.37Å; P1333-H1349 VanDerWaalsContact CB-CE1 3.45Å; P1333-H1349 WeakPolarHBondContact CB-CE1 3.44Å; P1333-H1349 VanDerWaalsContact CB-NE2 3.31Å; P1333-H1349 WeakPolarHBondContact CB-NE2 3.35Å
1334H77.9Confident80.8Confident33.4 Ų33.452.5 Ų52.516%0.15528%0.281CS..Hα-helixtrans-70.4-36.8-178.9-165.572.1000112.7E1291 Y1298 G1299 S1302 D1332 S1337 L1338E1291-H1334 IonicContact OE1-CD2 3.12Å; E1291-H1334 PolarHBondContact OE1-CD2 3.08Å; E1291-H1334 VanDerWaalsContact OE1-CD2 3.31Å; E1291-H1334 IonicContact OE1-CE1 2.73Å; E1291-H1334 PolarHBondContact OE1-CE1 2.62Å; E1291-H1334 IonicContact OE1-ND1 3.53Å; E1291-H1334 PolarHBondContact OE1-ND1 3.09Å; E1291-H1334 WeakPolarHBondContact OE2-CB 3.37Å; E1291-H1334 IonicContact OE2-CD2 3.37Å; E1291-H1334 PolarHBondContact OE2-CD2 3.09Å; E1291-H1334 IonicContact OE2-CE1 2.92Å; E1291-H1334 IonicContact OE2-CG 3.11Å; E1291-H1334 IonicContact OE2-ND1 3.69Å; E1291-H1334 PolarHBondContact OE2-ND1 2.99Å; Y1298-H1334 HydrophobicContact CE2-CB 4.26Å; G1299-H1334 WeakPolarHBondContact CA-NE2 3.37Å; S1302-H1334 WeakPolarHBondContact CB-CE1 3.39Å; S1302-H1334 VanDerWaalsContact CB-NE2 3.26Å; S1302-H1334 WeakPolarHBondContact CB-NE2 3.33Å; S1302-H1334 PolarHBondContact OG-CE1 3.22Å; S1302-H1334 VanDerWaalsContact OG-CE1 3.23Å; S1302-H1334 PolarHBondContact OG-NE2 3.21Å; D1332-H1334 PolarHBondContact O-N 3.11Å; D1332-H1334 VanDerWaalsContact O-N 3.08Å; D1332-H1334 WeakPolarHBondContact OD1-CB 3.25Å; D1332-H1334 PolarHBondContact OD1-N 3.23Å; D1332-H1334 WeakPolarHBondContact OD2-CB 3.24Å; D1332-H1334 PolarHBondContact OD2-N 3.32Å; D1332-H1334 VanDerWaalsContact OD2-N 3.1Å; H1334-S1337 VanDerWaalsContact O-CB 3.31Å; H1334-S1337 WeakPolarHBondContact O-CB 3.32Å; H1334-S1337 PolarHBondContact O-N 3.1Å; H1334-L1338 WeakPolarHBondContact O-CB 3.25Å; H1334-L1338 PolarHBondContact O-N 3.31Å
1335V81.3Confident80.7Confident0.4 Ų0.445.9 Ų45.90%0.00226%0.258CS..Hα-helixtrans-67.1-41.1174.5176.60000111.3L1287 S1288 E1291 C1331 D1332 S1337 L1338 M1339L1287-V1335 HydrophobicContact CB-CG2 4.43Å; S1288-V1335 VanDerWaalsContact CA-CG2 3.45Å; E1291-V1335 VanDerWaalsContact OE2-CG2 3.27Å; E1291-V1335 WeakPolarHBondContact OE2-CG2 3.35Å; C1331-V1335 HydrophobicContact CB-CB 4.37Å; C1331-V1335 HydrophobicContact CB-CG1 4.42Å; D1332-V1335 HydrophobicContact CB-CG2 4.38Å; D1332-V1335 PolarHBondContact O-N 3.11Å; D1332-V1335 VanDerWaalsContact O-N 3.07Å; V1335-S1337 VanDerWaalsContact C-N 3.29Å; V1335-S1337 PolarHBondContact O-N 3.06Å; V1335-L1338 WeakPolarHBondContact O-CB 3.28Å; V1335-L1338 PolarHBondContact O-N 3.25Å; V1335-L1338 VanDerWaalsContact O-N 3.12Å; V1335-M1339 HydrophobicContact CG1-CG 4.42Å; V1335-M1339 HydrophobicContact CG1-SD 4.1Å; V1335-M1339 VanDerWaalsContact O-CG 3.28Å; V1335-M1339 WeakPolarHBondContact O-CG 3.22Å; V1335-M1339 PolarHBondContact O-N 3.16Å
1336Y83.9Confident80.7Confident18.6 Ų18.645.1 Ų45.17%0.07325%0.249CC..Hα-helixtrans-61.1-38.3173.4-70.8-49.9000112.1P1327 P1328 N1330 C1331 D1332 P1333 L1338 M1339 G1340 R1341 L1344 A1348P1327-Y1336 HydrophobicContact CB-CE1 4.18Å; P1328-Y1336 WeakPolarHBondContact O-CE1 3.31Å; P1328-Y1336 PolarHBondContact O-OH 3.19Å; P1328-Y1336 VanDerWaalsContact O-OH 3.11Å; N1330-Y1336 PolarHBondContact N-OH 3.22Å; C1331-Y1336 HydrophobicContact CB-CD1 4.21Å; C1331-Y1336 HydrophobicContact CB-CD2 4.26Å; C1331-Y1336 HydrophobicContact CB-CE1 3.76Å; C1331-Y1336 HydrophobicContact CB-CE2 3.85Å; C1331-Y1336 HydrophobicContact CB-CG 4.42Å; C1331-Y1336 PolarHBondContact N-OH 2.95Å; C1331-Y1336 VanDerWaalsContact N-OH 3.12Å; C1331-Y1336 VanDerWaalsContact O-CE2 3.22Å; C1331-Y1336 WeakPolarHBondContact O-CE2 3.29Å; D1332-Y1336 PolarHBondContact O-N 3.07Å; P1333-Y1336 PolarHBondContact O-N 3.03Å; Y1336-L1338 VanDerWaalsContact C-N 3.35Å; Y1336-M1339 HydrophobicContact CD1-SD 4.35Å; Y1336-M1339 PolarHBondContact O-N 3.08Å; Y1336-G1340 PolarHBondContact O-N 3.17Å; Y1336-R1341 CarbonylContact C-O 3.6Å; Y1336-R1341 CarbonylContact O-C 3.5Å; Y1336-R1341 WeakPolarHBondContact O-CA 3.3Å; Y1336-R1341 PolarHBondContact O-N 3.14Å; Y1336-L1344 HydrophobicContact CD1-CB 3.78Å; Y1336-L1344 HydrophobicContact CD1-CD1 3.85Å; Y1336-L1344 HydrophobicContact CD1-CG 4.45Å; Y1336-L1344 HydrophobicContact CD2-CB 3.88Å; Y1336-L1344 HydrophobicContact CE1-CB 4.12Å; Y1336-L1344 HydrophobicContact CE1-CD1 3.74Å; Y1336-L1344 HydrophobicContact CE2-CB 4.19Å; Y1336-L1344 HydrophobicContact CG-CB 3.66Å; Y1336-L1344 HydrophobicContact CG-CD1 4.47Å; Y1336-A1348 HydrophobicContact CD2-CB 4.28Å; Y1336-A1348 HydrophobicContact CE2-CB 4.26Å
1337S83.8Confident80.7Confident60.2 Ų60.244.4 Ų44.442%0.42125%0.245SC..Hα-helixtrans-62.3-44172.3-167.90000111.6P1333 H1334 V1335 M1339 G1340P1333-S1337 PolarHBondContact O-N 3.16Å; P1333-S1337 VanDerWaalsContact O-N 3.1Å; H1334-S1337 VanDerWaalsContact O-CB 3.31Å; H1334-S1337 WeakPolarHBondContact O-CB 3.32Å; H1334-S1337 PolarHBondContact O-N 3.1Å; V1335-S1337 VanDerWaalsContact C-N 3.29Å; V1335-S1337 PolarHBondContact O-N 3.06Å; S1337-M1339 VanDerWaalsContact C-N 3.32Å; S1337-M1339 PolarHBondContact O-N 3.07Å; S1337-G1340 PolarHBondContact O-N 3.03Å; S1337-G1340 VanDerWaalsContact O-N 3.09Å
1338L82.5Confident80.4Confident33.6 Ų33.643.4 Ų43.418%0.17624%0.24CC..Hα-helixtrans-63.2-35.2177.7-17165.2000113L1301 L1305 L1320 H1334 V1335 Y1336 G1340L1301-L1338 HydrophobicContact CD2-CD2 3.96Å; L1301-L1338 HydrophobicContact CG-CD2 4.35Å; L1305-L1338 HydrophobicContact CD1-CD1 3.83Å; L1305-L1338 HydrophobicContact CD1-CD2 3.87Å; L1305-L1338 HydrophobicContact CD1-CG 4.26Å; L1305-L1338 HydrophobicContact CD2-CD1 3.98Å; L1320-L1338 HydrophobicContact CD1-CD1 4.44Å; L1320-L1338 HydrophobicContact CD1-CD2 4.23Å; L1320-L1338 HydrophobicContact CD1-CG 3.88Å; L1320-L1338 HydrophobicContact CD2-CB 4.4Å; L1320-L1338 HydrophobicContact CD2-CD2 4.09Å; L1320-L1338 HydrophobicContact CD2-CG 3.92Å; H1334-L1338 WeakPolarHBondContact O-CB 3.25Å; H1334-L1338 PolarHBondContact O-N 3.31Å; V1335-L1338 WeakPolarHBondContact O-CB 3.28Å; V1335-L1338 PolarHBondContact O-N 3.25Å; V1335-L1338 VanDerWaalsContact O-N 3.12Å; Y1336-L1338 VanDerWaalsContact C-N 3.35Å; L1338-G1340 PolarHBondContact O-N 3.28Å
1339M83.5Confident80.3Confident7.8 Ų7.847.3 Ų47.34%0.03826%0.258CS..THydrogen-bonded Turntrans-71.8-11173.3-67170.468.600113.6L1284 L1320 C1323 R1324 P1327 V1335 Y1336 S1337 R1341L1284-M1339 HydrophobicContact CD1-CE 4.09Å; L1284-M1339 HydrophobicContact CD1-CG 4.21Å; L1284-M1339 HydrophobicContact CD1-SD 3.97Å; L1320-M1339 HydrophobicContact CD2-CB 4.4Å; L1320-M1339 HydrophobicContact CD2-CG 3.58Å; C1323-M1339 VanDerWaalsContact C-CE 3.43Å; C1323-M1339 HydrophobicContact CB-CE 3.63Å; C1323-M1339 WeakPolarHBondContact O-CE 3.35Å; R1324-M1339 WeakPolarHBondContact CD-O 3.37Å; R1324-M1339 WeakPolarHBondContact CG-O 3.4Å; P1327-M1339 HydrophobicContact CB-CE 3.79Å; V1335-M1339 HydrophobicContact CG1-CG 4.42Å; V1335-M1339 HydrophobicContact CG1-SD 4.1Å; V1335-M1339 VanDerWaalsContact O-CG 3.28Å; V1335-M1339 WeakPolarHBondContact O-CG 3.22Å; V1335-M1339 PolarHBondContact O-N 3.16Å; Y1336-M1339 HydrophobicContact CD1-SD 4.35Å; Y1336-M1339 PolarHBondContact O-N 3.08Å; S1337-M1339 VanDerWaalsContact C-N 3.32Å; S1337-M1339 PolarHBondContact O-N 3.07Å; M1339-R1341 HydrophobicContact CB-CG 4.48Å
1340G82.3Confident80Confident37.6 Ų37.644.9 Ų44.939%0.38824%0.241SC..THydrogen-bonded Turntrans76.623.4-172.600000113.9R1324 Y1336 S1337 L1338R1324-G1340 PolarHBondContact NE-O 2.9Å; R1324-G1340 PolarHBondContact NH2-O 3.3Å; Y1336-G1340 PolarHBondContact O-N 3.17Å; S1337-G1340 PolarHBondContact O-N 3.03Å; S1337-G1340 VanDerWaalsContact O-N 3.09Å; L1338-G1340 PolarHBondContact O-N 3.28Å
1341R85Confident79.8Confident66 Ų6643.7 Ų43.725%0.24923%0.234CC..  trans-106.966.5172.6-69.5-120.629144.91.7110.2R1324 Y1336 M1339 D1343 L1344 A1345R1324-R1341 HydrophobicContact CG-CG 4.38Å; R1324-R1341 WeakPolarHBondContact O-CD 3.41Å; Y1336-R1341 CarbonylContact C-O 3.6Å; Y1336-R1341 CarbonylContact O-C 3.5Å; Y1336-R1341 WeakPolarHBondContact O-CA 3.3Å; Y1336-R1341 PolarHBondContact O-N 3.14Å; M1339-R1341 HydrophobicContact CB-CG 4.48Å; R1341-D1343 WeakPolarHBondContact CA-OD1 3.43Å; R1341-D1343 VanDerWaalsContact CB-OD1 3.25Å; R1341-D1343 WeakPolarHBondContact CB-OD1 3.35Å; R1341-D1343 IonicContact CZ-OD1 3.32Å; R1341-D1343 IonicContact CZ-OD2 3.16Å; R1341-D1343 IonicContact NE-OD1 3.23Å; R1341-D1343 PolarHBondContact NE-OD1 3.14Å; R1341-D1343 IonicContact NE-OD2 3.37Å; R1341-D1343 PolarHBondContact NE-OD2 2.72Å; R1341-D1343 IonicContact NH1-OD1 3.12Å; R1341-D1343 PolarHBondContact NH1-OD1 2.92Å; R1341-D1343 IonicContact NH1-OD2 2.99Å; R1341-D1343 PolarHBondContact NH1-OD2 3.01Å; R1341-D1343 IonicContact NH2-OD1 2.93Å; R1341-D1343 PolarHBondContact NH2-OD1 3Å; R1341-D1343 IonicContact NH2-OD2 3.01Å; R1341-D1343 PolarHBondContact NH2-OD2 3.12Å; R1341-D1343 PolarHBondContact O-N 3.09Å; R1341-L1344 HydrophobicContact CB-CB 4.39Å; R1341-L1344 HydrophobicContact CB-CD1 4.25Å; R1341-L1344 HydrophobicContact CB-CG 4.33Å; R1341-L1344 HydrophobicContact CG-CD1 4.45Å; R1341-L1344 PolarHBondContact O-N 3.28Å; R1341-L1344 VanDerWaalsContact O-N 3.09Å; R1341-A1345 PolarHBondContact O-N 2.96Å; R1341-A1345 VanDerWaalsContact O-N 3.12Å
1342T85Confident79.1Confident87.2 Ų87.246.2 Ų46.254%0.53525%0.247SC..Hα-helixtrans-66-16.5-179.655.80000113.6K1346T1342-K1346 WeakPolarHBondContact O-CB 3.45Å; T1342-K1346 WeakPolarHBondContact O-CG 3.34Å; T1342-K1346 PolarHBondContact O-N 3.24Å; T1342-K1346 VanDerWaalsContact O-N 3.14Å
1343D83.9Confident78Confident70 Ų7051.6 Ų51.637%0.37427%0.271SS..Hα-helixtrans-65.6-50.9169.556.8-31.7000111.6R1341 A1345 K1346 Q1347R1341-D1343 WeakPolarHBondContact CA-OD1 3.43Å; R1341-D1343 VanDerWaalsContact CB-OD1 3.25Å; R1341-D1343 WeakPolarHBondContact CB-OD1 3.35Å; R1341-D1343 IonicContact CZ-OD1 3.32Å; R1341-D1343 IonicContact CZ-OD2 3.16Å; R1341-D1343 IonicContact NE-OD1 3.23Å; R1341-D1343 PolarHBondContact NE-OD1 3.14Å; R1341-D1343 IonicContact NE-OD2 3.37Å; R1341-D1343 PolarHBondContact NE-OD2 2.72Å; R1341-D1343 IonicContact NH1-OD1 3.12Å; R1341-D1343 PolarHBondContact NH1-OD1 2.92Å; R1341-D1343 IonicContact NH1-OD2 2.99Å; R1341-D1343 PolarHBondContact NH1-OD2 3.01Å; R1341-D1343 IonicContact NH2-OD1 2.93Å; R1341-D1343 PolarHBondContact NH2-OD1 3Å; R1341-D1343 IonicContact NH2-OD2 3.01Å; R1341-D1343 PolarHBondContact NH2-OD2 3.12Å; R1341-D1343 PolarHBondContact O-N 3.09Å; D1343-A1345 VanDerWaalsContact C-N 3.35Å; D1343-K1346 PolarHBondContact O-N 3.35Å; D1343-Q1347 WeakPolarHBondContact O-CG 3.45Å; D1343-Q1347 PolarHBondContact O-N 2.96Å; D1343-Q1347 VanDerWaalsContact O-N 3.11Å
1344L84.4Confident76.4Confident29 Ų2956.1 Ų56.115%0.15229%0.292CS..Hα-helixtrans-68-36.8176.6-61.5-176.8000111.8P1327 Y1336 R1341 K1346 Q1347 A1348P1327-L1344 HydrophobicContact CB-CD1 3.87Å; P1327-L1344 HydrophobicContact CG-CD1 3.54Å; P1327-L1344 VanDerWaalsContact CG-CD1 3.49Å; Y1336-L1344 HydrophobicContact CD1-CB 3.78Å; Y1336-L1344 HydrophobicContact CD1-CD1 3.85Å; Y1336-L1344 HydrophobicContact CD1-CG 4.45Å; Y1336-L1344 HydrophobicContact CD2-CB 3.88Å; Y1336-L1344 HydrophobicContact CE1-CB 4.12Å; Y1336-L1344 HydrophobicContact CE1-CD1 3.74Å; Y1336-L1344 HydrophobicContact CE2-CB 4.19Å; Y1336-L1344 HydrophobicContact CG-CB 3.66Å; Y1336-L1344 HydrophobicContact CG-CD1 4.47Å; R1341-L1344 HydrophobicContact CB-CB 4.39Å; R1341-L1344 HydrophobicContact CB-CD1 4.25Å; R1341-L1344 HydrophobicContact CB-CG 4.33Å; R1341-L1344 HydrophobicContact CG-CD1 4.45Å; R1341-L1344 PolarHBondContact O-N 3.28Å; R1341-L1344 VanDerWaalsContact O-N 3.09Å; L1344-K1346 VanDerWaalsContact C-N 3.32Å; L1344-K1346 PolarHBondContact O-N 3.13Å; L1344-Q1347 VanDerWaalsContact CD2-OE1 3.28Å; L1344-Q1347 PolarHBondContact O-N 3.18Å; L1344-A1348 WeakPolarHBondContact O-CB 3.26Å; L1344-A1348 PolarHBondContact O-N 3.07Å
1345A82.5Confident74.8Confident7.2 Ų7.257.1 Ų57.16%0.0631%0.312CS..Hα-helixtrans-58.2-43.717400000112P1333 R1341 D1343 A1348 H1349P1333-A1345 VanDerWaalsContact O-CB 3.29Å; P1333-A1345 WeakPolarHBondContact O-CB 3.27Å; R1341-A1345 PolarHBondContact O-N 2.96Å; R1341-A1345 VanDerWaalsContact O-N 3.12Å; D1343-A1345 VanDerWaalsContact C-N 3.35Å; A1345-A1348 PolarHBondContact O-N 3.05Å; A1345-H1349 PolarHBondContact O-CD2 3.07Å; A1345-H1349 VanDerWaalsContact O-CD2 3.3Å; A1345-H1349 PolarHBondContact O-N 3.24Å
1346K79.3Confident72.9Confident124.6 Ų124.660.5 Ų60.554%0.54233%0.33SS..Hα-helixtrans-66.3-43.4176.2-90.9177.2179.6-174.10112.2T1342 D1343 L1344 A1348 H1349 M1350T1342-K1346 WeakPolarHBondContact O-CB 3.45Å; T1342-K1346 WeakPolarHBondContact O-CG 3.34Å; T1342-K1346 PolarHBondContact O-N 3.24Å; T1342-K1346 VanDerWaalsContact O-N 3.14Å; D1343-K1346 PolarHBondContact O-N 3.35Å; L1344-K1346 VanDerWaalsContact C-N 3.32Å; L1344-K1346 PolarHBondContact O-N 3.13Å; K1346-A1348 VanDerWaalsContact C-N 3.33Å; K1346-A1348 PolarHBondContact O-N 3.19Å; K1346-H1349 PolarHBondContact O-N 2.92Å; K1346-M1350 HydrophobicContact CB-CE 4.08Å; K1346-M1350 HydrophobicContact CG-SD 4.48Å; K1346-M1350 VanDerWaalsContact O-CG 3.25Å; K1346-M1350 WeakPolarHBondContact O-CG 3.27Å; K1346-M1350 PolarHBondContact O-N 3.13Å; K1346-M1350 VanDerWaalsContact O-N 3.1Å
1347Q80.5Confident70.8Confident87 Ų8762.6 Ų62.641%0.40735%0.348SS..Hα-helixtrans-59-46.1175.8-87174.7-4.800111.6D1343 L1344 M1350 L1351 W1400D1343-Q1347 WeakPolarHBondContact O-CG 3.45Å; D1343-Q1347 PolarHBondContact O-N 2.96Å; D1343-Q1347 VanDerWaalsContact O-N 3.11Å; L1344-Q1347 VanDerWaalsContact CD2-OE1 3.28Å; L1344-Q1347 PolarHBondContact O-N 3.18Å; Q1347-M1350 PolarHBondContact O-N 3.16Å; Q1347-L1351 HydrophobicContact CG-CD1 4.24Å; Q1347-L1351 WeakPolarHBondContact O-CD1 3.09Å; Q1347-L1351 WeakPolarHBondContact O-CG 3.33Å; Q1347-L1351 PolarHBondContact O-N 2.96Å; Q1347-L1351 VanDerWaalsContact O-N 3.12Å; Q1347-W1400 HydrophobicContact CB-CZ2 4.46Å; Q1347-W1400 HydrophobicContact CG-CH2 3.65Å; Q1347-W1400 HydrophobicContact CG-CZ2 3.88Å
1348A76.4Confident68.7Low16.2 Ų16.265.9 Ų65.913%0.13436%0.359CS..Hα-helixtrans-63.9-44.4178.500000112.3P1333 Y1336 L1344 A1345 K1346 M1350 L1351 D1352P1333-A1348 HydrophobicContact CB-CB 4.3Å; P1333-A1348 HydrophobicContact CG-CB 3.76Å; Y1336-A1348 HydrophobicContact CD2-CB 4.28Å; Y1336-A1348 HydrophobicContact CE2-CB 4.26Å; L1344-A1348 WeakPolarHBondContact O-CB 3.26Å; L1344-A1348 PolarHBondContact O-N 3.07Å; A1345-A1348 PolarHBondContact O-N 3.05Å; K1346-A1348 VanDerWaalsContact C-N 3.33Å; K1346-A1348 PolarHBondContact O-N 3.19Å; A1348-M1350 VanDerWaalsContact C-N 3.31Å; A1348-M1350 PolarHBondContact O-N 3.06Å; A1348-L1351 PolarHBondContact O-N 3.18Å; A1348-L1351 VanDerWaalsContact O-N 3.16Å; A1348-D1352 PolarHBondContact O-N 3.15Å
1349H75Confident66.3Low85 Ų8572.1 Ų72.139%0.39439%0.385SS..Hα-helixtrans-58.2-40.3173.6-83.7-57.8000112.9P1333 A1345 K1346 L1351 D1352 H1353P1333-H1349 VanDerWaalsContact CB-CD2 3.5Å; P1333-H1349 WeakPolarHBondContact CB-CD2 3.37Å; P1333-H1349 VanDerWaalsContact CB-CE1 3.45Å; P1333-H1349 WeakPolarHBondContact CB-CE1 3.44Å; P1333-H1349 VanDerWaalsContact CB-NE2 3.31Å; P1333-H1349 WeakPolarHBondContact CB-NE2 3.35Å; A1345-H1349 PolarHBondContact O-CD2 3.07Å; A1345-H1349 VanDerWaalsContact O-CD2 3.3Å; A1345-H1349 PolarHBondContact O-N 3.24Å; K1346-H1349 PolarHBondContact O-N 2.92Å; H1349-L1351 VanDerWaalsContact C-N 3.28Å; H1349-L1351 PolarHBondContact O-N 3.32Å; H1349-D1352 PolarHBondContact O-N 3.4Å; H1349-H1353 PolarHBondContact O-CD2 3.04Å; H1349-H1353 PolarHBondContact O-N 3.15Å
1350M66.8Low64Low17.4 Ų17.475.4 Ų75.49%0.08640%0.403CS..Hα-helixtrans-67.9-33.2178.8-69.1175.979.800112.7K1346 Q1347 A1348 I1396 L1399 W1400 L1403K1346-M1350 HydrophobicContact CB-CE 4.08Å; K1346-M1350 HydrophobicContact CG-SD 4.48Å; K1346-M1350 VanDerWaalsContact O-CG 3.25Å; K1346-M1350 WeakPolarHBondContact O-CG 3.27Å; K1346-M1350 PolarHBondContact O-N 3.13Å; K1346-M1350 VanDerWaalsContact O-N 3.1Å; Q1347-M1350 PolarHBondContact O-N 3.16Å; A1348-M1350 VanDerWaalsContact C-N 3.31Å; A1348-M1350 PolarHBondContact O-N 3.06Å; M1350-I1396 WeakPolarHBondContact O-CD1 3.4Å; M1350-L1399 HydrophobicContact CE-CB 3.64Å; M1350-L1399 VanDerWaalsContact CE-CB 3.47Å; M1350-W1400 HydrophobicContact CE-CB 4.37Å; M1350-W1400 VanDerWaalsContact CE-CD1 3.49Å; M1350-W1400 HydrophobicContact CE-CD2 3.76Å; M1350-W1400 VanDerWaalsContact CE-CE2 3.45Å; M1350-W1400 HydrophobicContact CE-CE3 4.29Å; M1350-W1400 HydrophobicContact CE-CG 3.64Å; M1350-W1400 HydrophobicContact CE-CH2 4.13Å; M1350-W1400 HydrophobicContact CE-CZ2 4.04Å; M1350-W1400 HydrophobicContact CE-CZ3 4.06Å; M1350-W1400 HydrophobicContact SD-CD2 4.09Å; M1350-W1400 VanDerWaalsContact SD-CE2 3.57Å; M1350-W1400 HydrophobicContact SD-CE3 4.35Å; M1350-W1400 HydrophobicContact SD-CG 4.41Å; M1350-W1400 HydrophobicContact SD-CH2 4.06Å; M1350-W1400 HydrophobicContact SD-CZ2 3.69Å; M1350-W1400 VanDerWaalsContact SD-CZ2 3.57Å; M1350-W1400 HydrophobicContact SD-CZ3 4.35Å; M1350-L1403 HydrophobicContact CE-CD1 3.72Å; M1350-L1403 HydrophobicContact SD-CD1 3.74Å
1351L68.7Low61.8Low107.4 Ų107.478 Ų7856%0.56242%0.415SS*.Hα-helixtrans-73.1-43.9175.6-69.6165.3000112.1Q1347 A1348 H1349 H1353 Q1354 I1396Q1347-L1351 HydrophobicContact CG-CD1 4.24Å; Q1347-L1351 WeakPolarHBondContact O-CD1 3.09Å; Q1347-L1351 WeakPolarHBondContact O-CG 3.33Å; Q1347-L1351 PolarHBondContact O-N 2.96Å; Q1347-L1351 VanDerWaalsContact O-N 3.12Å; A1348-L1351 PolarHBondContact O-N 3.18Å; A1348-L1351 VanDerWaalsContact O-N 3.16Å; H1349-L1351 VanDerWaalsContact C-N 3.28Å; H1349-L1351 PolarHBondContact O-N 3.32Å; L1351-H1353 PolarHBondContact O-N 3.04Å; L1351-H1353 VanDerWaalsContact O-N 3.13Å; L1351-Q1354 PolarHBondContact O-N 3.08Å; L1351-Q1354 VanDerWaalsContact O-N 3.12Å; L1351-I1396 HydrophobicContact CD2-CD1 4.06Å
1352D61.5Low59.5Low59.2 Ų59.279.8 Ų79.832%0.31743%0.433SS..Hα-helixtrans-60.6-25.6179.9-89.8-11.9000112.9K1225 A1348 H1349 Q1354 G1355 N1356K1225-D1352 WeakPolarHBondContact CE-OD1 3.36Å; K1225-D1352 VanDerWaalsContact NZ-CG 3.28Å; K1225-D1352 IonicContact NZ-OD1 3.37Å; K1225-D1352 PolarHBondContact NZ-OD1 3.15Å; K1225-D1352 IonicContact NZ-OD2 3.04Å; K1225-D1352 PolarHBondContact NZ-OD2 3.27Å; A1348-D1352 PolarHBondContact O-N 3.15Å; H1349-D1352 PolarHBondContact O-N 3.4Å; D1352-Q1354 VanDerWaalsContact C-N 3.31Å; D1352-Q1354 PolarHBondContact O-N 3.13Å; D1352-G1355 PolarHBondContact O-N 2.98Å; D1352-N1356 PolarHBondContact O-N 3.48Å; D1352-N1356 PolarHBondContact O-ND2 3.08Å; D1352-N1356 VanDerWaalsContact O-ND2 3.09Å
1353H55.4Low57Low130.6 Ų130.683.3 Ų83.361%0.60544%0.441SS*.Hα-helixtrans-68-27.9176.1-80.7-59.8000114.2H1349 L1351 S1357H1349-H1353 PolarHBondContact O-CD2 3.04Å; H1349-H1353 PolarHBondContact O-N 3.15Å; L1351-H1353 PolarHBondContact O-N 3.04Å; L1351-H1353 VanDerWaalsContact O-N 3.13Å; H1353-S1357 WeakPolarHBondContact O-CB 3.48Å; H1353-S1357 PolarHBondContact O-N 2.85Å; H1353-S1357 VanDerWaalsContact O-N 3.13Å
1354Q45.7Very low54.4Low99.4 Ų99.485.8 Ų85.846%0.46445%0.454SS..Hα-helixtrans-75.4-29176.7-93.5-172.9-11.900113.4L1351 D1352 N1356 S1357 I1396L1351-Q1354 PolarHBondContact O-N 3.08Å; L1351-Q1354 VanDerWaalsContact O-N 3.12Å; D1352-Q1354 VanDerWaalsContact C-N 3.31Å; D1352-Q1354 PolarHBondContact O-N 3.13Å; Q1354-N1356 VanDerWaalsContact C-N 3.32Å; Q1354-N1356 PolarHBondContact O-N 3.18Å; Q1354-S1357 PolarHBondContact O-OG 2.99Å; Q1354-S1357 VanDerWaalsContact O-OG 3.09Å; Q1354-I1396 HydrophobicContact CB-CD1 4.25Å; Q1354-I1396 HydrophobicContact CG-CD1 3.75Å; Q1354-I1396 HydrophobicContact CG-CG1 3.92Å; Q1354-I1396 VanDerWaalsContact OE1-CD1 3.29Å
1355G43.3Very low51.7Low55.4 Ų55.490.7 Ų90.757%0.57149%0.49SS*.Hα-helixtrans-67.7-35.5-179.600000113.3D1352D1352-G1355 PolarHBondContact O-N 2.98Å
1356N42Very low49.1Very low70.6 Ų70.694.4 Ų94.438%0.37852%0.515SS..Hα-helixtrans-88.7-26.9-174.3-68.4-36.5000113.8R1224 D1352 Q1354 I1358 F1359 D1360R1224-N1356 PolarHBondContact NH2-OD1 2.78Å; D1352-N1356 PolarHBondContact O-N 3.48Å; D1352-N1356 PolarHBondContact O-ND2 3.08Å; D1352-N1356 VanDerWaalsContact O-ND2 3.09Å; Q1354-N1356 VanDerWaalsContact C-N 3.32Å; Q1354-N1356 PolarHBondContact O-N 3.18Å; N1356-I1358 VanDerWaalsContact C-N 3.27Å; N1356-I1358 PolarHBondContact O-N 2.93Å; N1356-I1358 VanDerWaalsContact O-N 3.13Å; N1356-F1359 PolarHBondContact O-N 3.17Å; N1356-D1360 HydrophobicContact CB-CB 4.26Å; N1356-D1360 PolarHBondContact ND2-OD2 3.24Å; N1356-D1360 WeakPolarHBondContact O-CB 3.38Å; N1356-D1360 PolarHBondContact O-N 3.24Å; N1356-D1360 VanDerWaalsContact O-N 3.15Å
1357S39.4Very low46.7Very low64 Ų6496 Ų9645%0.44853%0.53SS..Hα-helixtrans-67.2-21.7-173.362.10000114.6H1353 Q1354 F1359 S1361H1353-S1357 WeakPolarHBondContact O-CB 3.48Å; H1353-S1357 PolarHBondContact O-N 2.85Å; H1353-S1357 VanDerWaalsContact O-N 3.13Å; Q1354-S1357 PolarHBondContact O-OG 2.99Å; Q1354-S1357 VanDerWaalsContact O-OG 3.09Å; S1357-F1359 VanDerWaalsContact C-N 3.32Å; S1357-S1361 WeakPolarHBondContact O-CB 3.21Å; S1357-S1361 PolarHBondContact O-OG 3.31Å
1358I38.9Very low44.3Very low129.2 Ų129.297.6 Ų97.666%0.66355%0.55SS*.Hα-helixtrans-79.5-22.5179-61176.9000112N1356N1356-I1358 VanDerWaalsContact C-N 3.27Å; N1356-I1358 PolarHBondContact O-N 2.93Å; N1356-I1358 VanDerWaalsContact O-N 3.13Å
1359F33.3Very low42.2Very low163.6 Ų163.6103.1 Ų103.172%0.71858%0.582SS**Hα-helixtrans-110.4-37-177.7-95.3-87.6000114.4N1356 S1357 S1361 V1362N1356-F1359 PolarHBondContact O-N 3.17Å; S1357-F1359 VanDerWaalsContact C-N 3.32Å; F1359-S1361 VanDerWaalsContact C-N 3.33Å; F1359-S1361 PolarHBondContact O-N 3.17Å; F1359-V1362 PolarHBondContact O-N 3.37Å
1360D34.2Very low39.9Very low77.6 Ų77.6104.2 Ų104.242%0.41560%0.599SS.*Hα-helixtrans-73-19.6-177.5-80.5-29000113.3R1224 N1356 V1362 F1363 N1364R1224-D1360 IonicContact NH1-OD1 2.95Å; R1224-D1360 PolarHBondContact NH1-OD1 3.11Å; R1224-D1360 IonicContact NH1-OD2 3.43Å; R1224-D1360 IonicContact NH2-OD1 3.89Å; R1224-D1360 IonicContact NH2-OD2 3.03Å; N1356-D1360 HydrophobicContact CB-CB 4.26Å; N1356-D1360 PolarHBondContact ND2-OD2 3.24Å; N1356-D1360 WeakPolarHBondContact O-CB 3.38Å; N1356-D1360 PolarHBondContact O-N 3.24Å; N1356-D1360 VanDerWaalsContact O-N 3.15Å; D1360-V1362 VanDerWaalsContact C-N 3.28Å; D1360-V1362 PolarHBondContact O-N 3.01Å; D1360-F1363 PolarHBondContact O-N 3.1Å; D1360-N1364 PolarHBondContact O-N 3.08Å; D1360-N1364 PolarHBondContact OD1-ND2 3.09Å
1361S35.7Very low38.2Very low91 Ų91109.7 Ų109.764%0.63663%0.634SS**THydrogen-bonded Turntrans-70.7-10.7179.360.90000114.6S1357 F1359S1357-S1361 WeakPolarHBondContact O-CB 3.21Å; S1357-S1361 PolarHBondContact O-OG 3.31Å; F1359-S1361 VanDerWaalsContact C-N 3.33Å; F1359-S1361 PolarHBondContact O-N 3.17Å
1362V37.7Very low36.3Very low104.2 Ų104.2110.2 Ų110.263%0.63265%0.646SS**THydrogen-bonded Turntrans-102.6-16.4-177.9-176.20000112.6F1359 D1360F1359-V1362 PolarHBondContact O-N 3.37Å; D1360-V1362 VanDerWaalsContact C-N 3.28Å; D1360-V1362 PolarHBondContact O-N 3.01Å
1363F32.2Very low34.8Very low159.8 Ų159.8113 Ų11370%0.70167%0.67SS**THydrogen-bonded Turntrans-129.56.4-168.9-89.1-80000116.8D1360D1360-F1363 PolarHBondContact O-N 3.1Å
1364N30.1Very low33.6Very low123.2 Ų123.2114.8 Ų114.866%0.65968%0.679SS**  trans-130.560.4177.7-87.8-40.7000114.3D1360D1360-N1364 PolarHBondContact O-N 3.08Å; D1360-N1364 PolarHBondContact OD1-ND2 3.09Å
1365C26.3Very low32.9Very low132.8 Ų132.8115.8 Ų115.890%0.89769%0.694SS**SBendtrans-11742167.3-91.10000112.4
1366S27.9Very low32.3Very low83.8 Ų83.8120.5 Ų120.559%0.58670%0.704SS**SBendtrans-165.1112.6168.340.90000111.6D453D453-S1366 WeakPolarHBondContact OD2-CB 3.46Å; D453-S1366 PolarHBondContact OD2-OG 3.01Å
1367N29.6Very low31.6Very low159.6 Ų159.6121.9 Ų121.985%0.85372%0.72SS**  trans131.473.9154-74.8-29.2000114.4V1369N1367-V1369 PolarHBondContact O-N 3.32Å; N1367-V1369 VanDerWaalsContact O-N 3.16Å
1368S29.6Very low31Very low118.6 Ų118.6126.6 Ų126.683%0.82974%0.739SS**  trans-10293.7155.954.80000111
1369V31.9Very low30.6Very low132.8 Ų132.8128.5 Ų128.581%0.80575%0.75SS**  trans-114.6106.9162.7179.90000108.4N1367 T1371N1367-V1369 PolarHBondContact O-N 3.32Å; N1367-V1369 VanDerWaalsContact O-N 3.16Å; V1369-T1371 PolarHBondContact O-N 3.13Å
1370S28.6Very low30.4Very low107 Ų107130.2 Ų130.275%0.74876%0.757SS**  trans-79115.7-179.651.70000113.1
1371T30.1Very low30.2Very low134 Ų134133.3 Ų133.382%0.82277%0.772SS**  trans-132.196153.946.60000112V1369 S1373V1369-T1371 PolarHBondContact O-N 3.13Å; T1371-S1373 PolarHBondContact O-N 3.13Å
1372S29.2Very low30Very low118 Ų118136.4 Ų136.483%0.82578%0.78SS**  trans-97.5125.2170.945.10000111.4E1374S1372-E1374 PolarHBondContact O-N 2.85Å
1373S29.8Very low29.4Very low117.6 Ų117.6136.8 Ų136.882%0.82279%0.788SS**  trans-139.7120.1162.455.20000110.1T1371T1371-S1373 PolarHBondContact O-N 3.13Å
1374E30.1Very low29.6Very low169.2 Ų169.2134.8 Ų134.879%0.79179%0.788SS**  trans-91.7143.8-169.4-74.3-165.4154.900112.6S1372 I1376S1372-E1374 PolarHBondContact O-N 2.85Å; E1374-I1376 PolarHBondContact O-N 3.21Å
1375P30.7Very low29.7Very low119.8 Ų119.8133.9 Ų133.978%0.77879%0.789SS**  trans-82.3120.4174.532.2-31.8000111.4S1377P1375-S1377 PolarHBondContact O-N 3.11Å
1376I31.2Very low29.9Very low153.4 Ų153.4133.6 Ų133.679%0.78779%0.789SS**  trans-79.7104.2170.3-68.3166.5000110.9E1374 L1378E1374-I1376 PolarHBondContact O-N 3.21Å; I1376-L1378 PolarHBondContact O-N 3.36Å
1377S26.9Very low30.3Very low100.6 Ų100.6134.3 Ų134.370%0.70379%0.794SS**  trans-12.2105.7152.261.70000116.8P1375 L1379P1375-S1377 PolarHBondContact O-N 3.11Å; S1377-L1379 PolarHBondContact O-N 3.17Å
1378L27.9Very low30.7Very low162 Ų162130.6 Ų130.685%0.84878%0.777SS**  trans-15959.1141.9-97.4171.1000113.6I1376 K1380I1376-L1378 PolarHBondContact O-N 3.36Å; L1378-K1380 PolarHBondContact O-N 3.23Å
1379L30Very low31.1Very low170.6 Ų170.6128.3 Ų128.389%0.89377%0.772SS**  trans-116.486.4159.8-106.2150000109.9S1377 I1381S1377-L1379 PolarHBondContact O-N 3.17Å; L1379-I1381 VanDerWaalsContact C-N 3.31Å; L1379-I1381 HydrophobicContact CD2-CD1 3.57Å; L1379-I1381 HydrophobicContact CD2-CG1 3.91Å; L1379-I1381 PolarHBondContact O-N 3.21Å; L1379-I1381 VanDerWaalsContact O-N 3.15Å
1380K29.1Very low31.6Very low198.4 Ų198.4128.7 Ų128.786%0.86377%0.765SS**  trans-8281.6-178.8-143.5176.8-175.8179.30111.8L1378 L1382L1378-K1380 PolarHBondContact O-N 3.23Å; K1380-L1382 PolarHBondContact O-N 3.37Å
1381I30.1Very low32.7Very low142.6 Ų142.6127.7 Ų127.773%0.73175%0.754SS**  trans-53.6104.9154.6-55.7173000110.7L1379L1379-I1381 VanDerWaalsContact C-N 3.31Å; L1379-I1381 HydrophobicContact CD2-CD1 3.57Å; L1379-I1381 HydrophobicContact CD2-CG1 3.91Å; L1379-I1381 PolarHBondContact O-N 3.21Å; L1379-I1381 VanDerWaalsContact O-N 3.15Å
1382L30.3Very low33.7Very low155.6 Ų155.6126.5 Ų126.582%0.81575%0.751SS**  trans-72.7111.1150.8-77.4162.5000110.1K1380 V1384K1380-L1382 PolarHBondContact O-N 3.37Å; L1382-V1384 PolarHBondContact O-N 2.96Å; L1382-V1384 VanDerWaalsContact O-N 3.11Å
1383S26.8Very low34.9Very low112.6 Ų112.6124.6 Ų124.679%0.78774%0.738SS**  trans-55.796.3177.251.30000113.3
1384V34.8Very low36.2Very low117.8 Ų117.8121.7 Ų121.771%0.71471%0.709SS**  trans-83.9134.6156.8-179.60000107.5L1382 S1386L1382-V1384 PolarHBondContact O-N 2.96Å; L1382-V1384 VanDerWaalsContact O-N 3.11Å; V1384-S1386 PolarHBondContact O-N 3.16Å
1385P31.9Very low37.7Very low104.6 Ų104.6115 Ų11568%0.67968%0.681SS**  trans-59.2125.8177.4-3.97.3000110.8S1387P1385-S1387 PolarHBondContact O-N 2.99Å
1386S31.3Very low39.2Very low126.2 Ų126.2110.5 Ų110.588%0.88365%0.65SS**SBendtrans-7960.9-169.658.30000113.6V1384V1384-S1386 PolarHBondContact O-N 3.16Å
1387S36.8Very low40.6Very low99.6 Ų99.6108.2 Ų108.270%0.69764%0.636SS**  trans-123.723.3178.465.10000113.3P1385 G1389P1385-S1387 PolarHBondContact O-N 2.99Å; S1387-G1389 PolarHBondContact O-N 3.09Å
1388V38.3Very low42.2Very low81.6 Ų81.6104 Ų10450%0.49561%0.605SS.*  trans-110.581.8-176.9-161.80000110.4E1390 T1391 W1394V1388-E1390 VanDerWaalsContact C-N 3.27Å; V1388-E1390 PolarHBondContact O-N 2.93Å; V1388-T1391 HydrophobicContact CB-CG2 4.39Å; V1388-T1391 HydrophobicContact CG1-CG2 3.53Å; V1388-T1391 VanDerWaalsContact CG1-CG2 3.42Å; V1388-W1394 HydrophobicContact CB-CH2 4.31Å; V1388-W1394 HydrophobicContact CB-CZ2 4.38Å; V1388-W1394 HydrophobicContact CG1-CH2 3.92Å; V1388-W1394 HydrophobicContact CG1-CZ2 3.69Å; V1388-W1394 HydrophobicContact CG2-CH2 4.22Å; V1388-W1394 HydrophobicContact CG2-CZ2 4.44Å
1389G36.8Very low43.9Very low70.2 Ų70.297.9 Ų97.972%0.72457%0.574SS**  trans-88.525.6169.400000113.1S1387 T1391S1387-G1389 PolarHBondContact O-N 3.09Å; G1389-T1391 PolarHBondContact O-N 3.15Å
1390E43.1Very low45.5Very low142.2 Ų142.294.7 Ų94.766%0.66455%0.55SS*.  trans-15038.8-176.8-61.3179.7-179.700114.2V1388 S1392 S1393 W1394V1388-E1390 VanDerWaalsContact C-N 3.27Å; V1388-E1390 PolarHBondContact O-N 2.93Å; E1390-S1392 VanDerWaalsContact C-N 3.31Å; E1390-S1392 PolarHBondContact O-N 3.17Å; E1390-S1393 PolarHBondContact O-N 3Å; E1390-S1393 VanDerWaalsContact O-N 3.16Å; E1390-S1393 PolarHBondContact O-OG 3.08Å; E1390-S1393 VanDerWaalsContact O-OG 3.08Å; E1390-W1394 PolarHBondContact O-NE1 3Å
1391T51.5Low47.1Very low85 Ų8586.4 Ų86.452%0.52152%0.517SS..G310 helixtrans-68.5-6.9177.454.30000114.5V1388 G1389 S1393 W1394V1388-T1391 HydrophobicContact CB-CG2 4.39Å; V1388-T1391 HydrophobicContact CG1-CG2 3.53Å; V1388-T1391 VanDerWaalsContact CG1-CG2 3.42Å; G1389-T1391 PolarHBondContact O-N 3.15Å; T1391-S1393 VanDerWaalsContact C-N 3.34Å; T1391-S1393 PolarHBondContact O-N 3.03Å; T1391-W1394 HydrophobicContact CG2-CE3 4.37Å; T1391-W1394 HydrophobicContact CG2-CH2 4.26Å; T1391-W1394 HydrophobicContact CG2-CZ3 4.09Å
1392S50.6Low48.6Very low108.6 Ų108.681.6 Ų81.676%0.75949%0.493SS*.G310 helixtrans-78.2-12.4-178.552.20000114.5E1390E1390-S1392 VanDerWaalsContact C-N 3.31Å; E1390-S1392 PolarHBondContact O-N 3.17Å
1393S55Low50.2Low77.6 Ų77.678.6 Ų78.654%0.54348%0.477SS..G310 helixtrans-96.1-10-177.758.20000114.4E1390 T1391E1390-S1393 PolarHBondContact O-N 3Å; E1390-S1393 VanDerWaalsContact O-N 3.16Å; E1390-S1393 PolarHBondContact O-OG 3.08Å; E1390-S1393 VanDerWaalsContact O-OG 3.08Å; T1391-S1393 VanDerWaalsContact C-N 3.34Å; T1391-S1393 PolarHBondContact O-N 3.03Å
1394W57.9Low52Low57 Ų5776.2 Ų76.222%0.21646%0.457CS..  trans-82.2138.2-171.2-65.74.4000111.8V1388 E1390 T1391 E1398 L1399 N1402V1388-W1394 HydrophobicContact CB-CH2 4.31Å; V1388-W1394 HydrophobicContact CB-CZ2 4.38Å; V1388-W1394 HydrophobicContact CG1-CH2 3.92Å; V1388-W1394 HydrophobicContact CG1-CZ2 3.69Å; V1388-W1394 HydrophobicContact CG2-CH2 4.22Å; V1388-W1394 HydrophobicContact CG2-CZ2 4.44Å; E1390-W1394 PolarHBondContact O-NE1 3Å; T1391-W1394 HydrophobicContact CG2-CE3 4.37Å; T1391-W1394 HydrophobicContact CG2-CH2 4.26Å; T1391-W1394 HydrophobicContact CG2-CZ3 4.09Å; W1394-E1398 VanDerWaalsContact CA-OE2 3.31Å; W1394-E1398 WeakPolarHBondContact CA-OE2 3.33Å; W1394-E1398 HydrophobicContact CB-CB 4.08Å; W1394-E1398 HydrophobicContact CE3-CB 4.45Å; W1394-E1398 HydrophobicContact CG-CB 4.39Å; W1394-L1399 HydrophobicContact CB-CD2 4.23Å; W1394-L1399 HydrophobicContact CB-CG 3.98Å; W1394-L1399 HydrophobicContact CD2-CD2 4.47Å; W1394-L1399 HydrophobicContact CE3-CD2 3.85Å; W1394-L1399 HydrophobicContact CE3-CG 4.35Å; W1394-L1399 HydrophobicContact CG-CD2 4.46Å; W1394-N1402 HydrophobicContact CE3-CB 4.46Å; W1394-N1402 VanDerWaalsContact CE3-ND2 3.35Å; W1394-N1402 HydrophobicContact CH2-CB 4.44Å; W1394-N1402 WeakPolarHBondContact CH2-ND2 3.48Å; W1394-N1402 HydrophobicContact CZ3-CB 4.04Å; W1394-N1402 VanDerWaalsContact CZ3-ND2 3.28Å; W1394-N1402 WeakPolarHBondContact CZ3-ND2 3.4Å
1395S61.9Low53.5Low30 Ų3076.5 Ų76.521%0.2145%0.454CS..  trans-65.9162.4170.472.60000111.3E1397 E1398 L1399 D1693S1395-E1397 VanDerWaalsContact C-N 3.28Å; S1395-E1397 VanDerWaalsContact CB-OE2 3.26Å; S1395-E1397 WeakPolarHBondContact CB-OE2 3.49Å; S1395-E1397 PolarHBondContact O-N 3.32Å; S1395-E1397 PolarHBondContact OG-N 3.19Å; S1395-E1397 PolarHBondContact OG-OE2 3.17Å; S1395-E1398 WeakPolarHBondContact CB-OE2 3.35Å; S1395-E1398 PolarHBondContact N-OE2 3.13Å; S1395-E1398 VanDerWaalsContact N-OE2 3.11Å; S1395-E1398 WeakPolarHBondContact O-CB 3.43Å; S1395-E1398 PolarHBondContact O-N 3.3Å; S1395-E1398 VanDerWaalsContact O-N 3.1Å; S1395-E1398 WeakPolarHBondContact OG-CB 3.48Å; S1395-E1398 VanDerWaalsContact OG-CG 3.26Å; S1395-E1398 WeakPolarHBondContact OG-CG 3.4Å; S1395-E1398 PolarHBondContact OG-N 3.22Å; S1395-E1398 VanDerWaalsContact OG-N 3.1Å; S1395-E1398 PolarHBondContact OG-OE2 3.08Å; S1395-L1399 WeakPolarHBondContact O-CG 3.4Å; S1395-L1399 PolarHBondContact O-N 3.07Å; S1395-D1693 PolarHBondContact OG-O 3.46Å
1396I61.5Low55.1Low23.6 Ų23.673.1 Ų73.112%0.12143%0.432CS..Hα-helixtrans-57.2-40.6174.7-76.8-176.6000110.4M1350 L1351 Q1354 E1398 L1399 W1400M1350-I1396 WeakPolarHBondContact O-CD1 3.4Å; L1351-I1396 HydrophobicContact CD2-CD1 4.06Å; Q1354-I1396 HydrophobicContact CB-CD1 4.25Å; Q1354-I1396 HydrophobicContact CG-CD1 3.75Å; Q1354-I1396 HydrophobicContact CG-CG1 3.92Å; Q1354-I1396 VanDerWaalsContact OE1-CD1 3.29Å; I1396-E1398 VanDerWaalsContact C-N 3.35Å; I1396-E1398 PolarHBondContact O-N 3.18Å; I1396-L1399 PolarHBondContact O-N 3.19Å; I1396-W1400 VanDerWaalsContact CG2-CD1 3.45Å; I1396-W1400 PolarHBondContact O-N 3.13Å
1397E61.1Low56.7Low106.8 Ų106.872.4 Ų72.450%0.49942%0.418SS..Hα-helixtrans-66.1-37.1177.8-61132.7178.800112.3S1395 W1400 S1401 D1693S1395-E1397 VanDerWaalsContact C-N 3.28Å; S1395-E1397 VanDerWaalsContact CB-OE2 3.26Å; S1395-E1397 WeakPolarHBondContact CB-OE2 3.49Å; S1395-E1397 PolarHBondContact O-N 3.32Å; S1395-E1397 PolarHBondContact OG-N 3.19Å; S1395-E1397 PolarHBondContact OG-OE2 3.17Å; E1397-W1400 PolarHBondContact O-N 2.93Å; E1397-S1401 VanDerWaalsContact O-CB 3.23Å; E1397-S1401 WeakPolarHBondContact O-CB 3.38Å; E1397-S1401 PolarHBondContact O-N 3.12Å; E1397-S1401 PolarHBondContact O-OG 3.06Å; E1397-D1693 HydrophobicContact CB-CB 4.36Å; E1397-D1693 HydrophobicContact CG-CB 4.41Å; E1397-D1693 WeakPolarHBondContact OE2-CB 3.28Å; E1397-D1693 VanDerWaalsContact OE2-OD2 3.11Å
1398E60.6Low58.1Low10.6 Ų10.674.8 Ų74.85%0.0541%0.411CS..Hα-helixtrans-67.5-42.1173.7-73.4176.914400112W1394 S1395 I1396 W1400 S1401 N1402 G1517 A1694 S1695W1394-E1398 VanDerWaalsContact CA-OE2 3.31Å; W1394-E1398 WeakPolarHBondContact CA-OE2 3.33Å; W1394-E1398 HydrophobicContact CB-CB 4.08Å; W1394-E1398 HydrophobicContact CE3-CB 4.45Å; W1394-E1398 HydrophobicContact CG-CB 4.39Å; S1395-E1398 WeakPolarHBondContact CB-OE2 3.35Å; S1395-E1398 PolarHBondContact N-OE2 3.13Å; S1395-E1398 VanDerWaalsContact N-OE2 3.11Å; S1395-E1398 WeakPolarHBondContact O-CB 3.43Å; S1395-E1398 PolarHBondContact O-N 3.3Å; S1395-E1398 VanDerWaalsContact O-N 3.1Å; S1395-E1398 WeakPolarHBondContact OG-CB 3.48Å; S1395-E1398 VanDerWaalsContact OG-CG 3.26Å; S1395-E1398 WeakPolarHBondContact OG-CG 3.4Å; S1395-E1398 PolarHBondContact OG-N 3.22Å; S1395-E1398 VanDerWaalsContact OG-N 3.1Å; S1395-E1398 PolarHBondContact OG-OE2 3.08Å; I1396-E1398 VanDerWaalsContact C-N 3.35Å; I1396-E1398 PolarHBondContact O-N 3.18Å; E1398-W1400 VanDerWaalsContact C-N 3.3Å; E1398-W1400 PolarHBondContact O-N 3.43Å; E1398-S1401 WeakPolarHBondContact CA-OG 3.31Å; E1398-S1401 PolarHBondContact O-N 3.15Å; E1398-S1401 VanDerWaalsContact O-N 3.17Å; E1398-S1401 PolarHBondContact O-OG 3.02Å; E1398-S1401 VanDerWaalsContact O-OG 3.08Å; E1398-N1402 VanDerWaalsContact O-CB 3.25Å; E1398-N1402 WeakPolarHBondContact O-CB 3.37Å; E1398-N1402 VanDerWaalsContact O-CG 3.23Å; E1398-N1402 PolarHBondContact O-N 3.15Å; E1398-N1402 PolarHBondContact O-ND2 3.19Å; E1398-N1402 VanDerWaalsContact O-ND2 3.15Å; E1398-G1517 VanDerWaalsContact CD-CA 3.46Å; E1398-G1517 WeakPolarHBondContact OE1-CA 3.36Å; E1398-G1517 PolarHBondContact OE1-N 3.31Å; E1398-A1694 VanDerWaalsContact OE1-CA 3.25Å; E1398-A1694 WeakPolarHBondContact OE1-CA 3.32Å; E1398-S1695 PolarHBondContact OE1-N 3.15Å; E1398-S1695 PolarHBondContact OE1-OG 3.47Å; E1398-S1695 VanDerWaalsContact OE1-OG 3.05Å; E1398-S1695 PolarHBondContact OE2-OG 2.87Å
1399L62.6Low59.2Low35.6 Ų35.676.9 Ų76.919%0.18642%0.42CS..Hα-helixtrans-60.3-46173.1-72.2161.7000111M1350 W1394 S1395 I1396 S1401 N1402 L1403M1350-L1399 HydrophobicContact CE-CB 3.64Å; M1350-L1399 VanDerWaalsContact CE-CB 3.47Å; W1394-L1399 HydrophobicContact CB-CD2 4.23Å; W1394-L1399 HydrophobicContact CB-CG 3.98Å; W1394-L1399 HydrophobicContact CD2-CD2 4.47Å; W1394-L1399 HydrophobicContact CE3-CD2 3.85Å; W1394-L1399 HydrophobicContact CE3-CG 4.35Å; W1394-L1399 HydrophobicContact CG-CD2 4.46Å; S1395-L1399 WeakPolarHBondContact O-CG 3.4Å; S1395-L1399 PolarHBondContact O-N 3.07Å; I1396-L1399 PolarHBondContact O-N 3.19Å; L1399-S1401 PolarHBondContact O-N 3.43Å; L1399-N1402 PolarHBondContact O-N 3Å; L1399-L1403 VanDerWaalsContact O-CB 3.28Å; L1399-L1403 WeakPolarHBondContact O-CB 3.37Å; L1399-L1403 WeakPolarHBondContact O-CD1 3.37Å; L1399-L1403 WeakPolarHBondContact O-CG 3.35Å; L1399-L1403 PolarHBondContact O-N 3.11Å
1400W64.1Low60.3Low102.6 Ų102.676.5 Ų76.539%0.38940%0.4SS..Hα-helixtrans-61.9-47.5174.4-78.7113000112.4Q1347 M1350 I1396 E1397 E1398 N1402 L1403 V1404Q1347-W1400 HydrophobicContact CB-CZ2 4.46Å; Q1347-W1400 HydrophobicContact CG-CH2 3.65Å; Q1347-W1400 HydrophobicContact CG-CZ2 3.88Å; M1350-W1400 HydrophobicContact CE-CB 4.37Å; M1350-W1400 VanDerWaalsContact CE-CD1 3.49Å; M1350-W1400 HydrophobicContact CE-CD2 3.76Å; M1350-W1400 VanDerWaalsContact CE-CE2 3.45Å; M1350-W1400 HydrophobicContact CE-CE3 4.29Å; M1350-W1400 HydrophobicContact CE-CG 3.64Å; M1350-W1400 HydrophobicContact CE-CH2 4.13Å; M1350-W1400 HydrophobicContact CE-CZ2 4.04Å; M1350-W1400 HydrophobicContact CE-CZ3 4.06Å; M1350-W1400 HydrophobicContact SD-CD2 4.09Å; M1350-W1400 VanDerWaalsContact SD-CE2 3.57Å; M1350-W1400 HydrophobicContact SD-CE3 4.35Å; M1350-W1400 HydrophobicContact SD-CG 4.41Å; M1350-W1400 HydrophobicContact SD-CH2 4.06Å; M1350-W1400 HydrophobicContact SD-CZ2 3.69Å; M1350-W1400 VanDerWaalsContact SD-CZ2 3.57Å; M1350-W1400 HydrophobicContact SD-CZ3 4.35Å; I1396-W1400 VanDerWaalsContact CG2-CD1 3.45Å; I1396-W1400 PolarHBondContact O-N 3.13Å; E1397-W1400 PolarHBondContact O-N 2.93Å; E1398-W1400 VanDerWaalsContact C-N 3.3Å; E1398-W1400 PolarHBondContact O-N 3.43Å; W1400-N1402 VanDerWaalsContact C-N 3.27Å; W1400-N1402 PolarHBondContact O-N 3.03Å; W1400-L1403 PolarHBondContact O-N 3.09Å; W1400-L1403 VanDerWaalsContact O-N 3.17Å; W1400-V1404 HydrophobicContact CE3-CG2 4.49Å; W1400-V1404 WeakPolarHBondContact O-CG2 3.46Å; W1400-V1404 PolarHBondContact O-N 3.11Å; W1400-V1404 VanDerWaalsContact O-N 3.13Å
1401S62.3Low60.9Low25 Ų2576.1 Ų76.118%0.17540%0.403CS..Hα-helixtrans-69.4-21-176.876.40000113.9E1397 E1398 L1399 T1516 K1519E1397-S1401 VanDerWaalsContact O-CB 3.23Å; E1397-S1401 WeakPolarHBondContact O-CB 3.38Å; E1397-S1401 PolarHBondContact O-N 3.12Å; E1397-S1401 PolarHBondContact O-OG 3.06Å; E1398-S1401 WeakPolarHBondContact CA-OG 3.31Å; E1398-S1401 PolarHBondContact O-N 3.15Å; E1398-S1401 VanDerWaalsContact O-N 3.17Å; E1398-S1401 PolarHBondContact O-OG 3.02Å; E1398-S1401 VanDerWaalsContact O-OG 3.08Å; L1399-S1401 PolarHBondContact O-N 3.43Å; S1401-T1516 VanDerWaalsContact CB-OG1 3.24Å; S1401-T1516 WeakPolarHBondContact CB-OG1 3.36Å; S1401-T1516 WeakPolarHBondContact OG-CB 3.22Å; S1401-T1516 PolarHBondContact OG-OG1 3.09Å; S1401-K1519 PolarHBondContact O-NZ 3.24Å
1402N62.4Low60.8Low40.8 Ų40.877.1 Ų77.122%0.21841%0.414CS..Hα-helixtrans-90.1-27.6173.1-68.2-28.8000112.6W1394 E1398 L1399 W1400 S1518W1394-N1402 HydrophobicContact CE3-CB 4.46Å; W1394-N1402 VanDerWaalsContact CE3-ND2 3.35Å; W1394-N1402 HydrophobicContact CH2-CB 4.44Å; W1394-N1402 WeakPolarHBondContact CH2-ND2 3.48Å; W1394-N1402 HydrophobicContact CZ3-CB 4.04Å; W1394-N1402 VanDerWaalsContact CZ3-ND2 3.28Å; W1394-N1402 WeakPolarHBondContact CZ3-ND2 3.4Å; E1398-N1402 VanDerWaalsContact O-CB 3.25Å; E1398-N1402 WeakPolarHBondContact O-CB 3.37Å; E1398-N1402 VanDerWaalsContact O-CG 3.23Å; E1398-N1402 PolarHBondContact O-N 3.15Å; E1398-N1402 PolarHBondContact O-ND2 3.19Å; E1398-N1402 VanDerWaalsContact O-ND2 3.15Å; L1399-N1402 PolarHBondContact O-N 3Å; W1400-N1402 VanDerWaalsContact C-N 3.27Å; W1400-N1402 PolarHBondContact O-N 3.03Å; N1402-S1518 PolarHBondContact OD1-N 2.98Å; N1402-S1518 PolarHBondContact OD1-OG 3Å; N1402-S1518 VanDerWaalsContact OD1-OG 3.06Å
1403L63.7Low60.5Low93.6 Ų93.679.7 Ų79.749%0.4942%0.418SS..Hα-helixtrans-79.1-28.7177.5-76.5169.7000113.7M1350 L1399 W1400 L1405M1350-L1403 HydrophobicContact CE-CD1 3.72Å; M1350-L1403 HydrophobicContact SD-CD1 3.74Å; L1399-L1403 VanDerWaalsContact O-CB 3.28Å; L1399-L1403 WeakPolarHBondContact O-CB 3.37Å; L1399-L1403 WeakPolarHBondContact O-CD1 3.37Å; L1399-L1403 WeakPolarHBondContact O-CG 3.35Å; L1399-L1403 PolarHBondContact O-N 3.11Å; W1400-L1403 PolarHBondContact O-N 3.09Å; W1400-L1403 VanDerWaalsContact O-N 3.17Å; L1403-L1405 PolarHBondContact O-N 3.04Å
1404V64.4Low60.3Low60.2 Ų60.277.1 Ų77.137%0.36540%0.4SS..SBendtrans-85.9105.2178.9-176.20000110.2W1400 P1432W1400-V1404 HydrophobicContact CE3-CG2 4.49Å; W1400-V1404 WeakPolarHBondContact O-CG2 3.46Å; W1400-V1404 PolarHBondContact O-N 3.11Å; W1400-V1404 VanDerWaalsContact O-N 3.13Å; V1404-P1432 HydrophobicContact CB-CB 4.5Å; V1404-P1432 HydrophobicContact CB-CG 4.11Å; V1404-P1432 HydrophobicContact CG1-CB 3.67Å; V1404-P1432 HydrophobicContact CG1-CG 3.63Å; V1404-P1432 VanDerWaalsContact CG1-CG 3.49Å
1405L66.1Low59.9Low125.6 Ų125.678.7 Ų78.766%0.65842%0.42SS*.  trans-69.4148.5171.1-68.7166.9000111.1L1403L1403-L1405 PolarHBondContact O-N 3.04Å
1406P65.5Low59.3Low31.8 Ų31.883.8 Ų83.821%0.20645%0.445CS..  trans-62150.5172.728.3-34.7000111.4R1408 D1409P1406-R1408 VanDerWaalsContact C-N 3.27Å; P1406-R1408 PolarHBondContact O-N 3.19Å; P1406-D1409 VanDerWaalsContact CG-OD1 3.31Å; P1406-D1409 WeakPolarHBondContact CG-OD1 3.33Å
1407L63.8Low58.9Low112.2 Ų112.285.2 Ų85.259%0.58745%0.454SS*.SBendtrans-72.6-24.8176.5-68.6169.3000112.4Q1435 A1436L1407-Q1435 HydrophobicContact CB-CB 4.42Å; L1407-Q1435 HydrophobicContact CD1-CB 4.38Å; L1407-A1436 VanDerWaalsContact CD1-CA 3.5Å; L1407-A1436 HydrophobicContact CD1-CB 4.06Å
1408R66.2Low58.4Low149.6 Ų149.682.8 Ų82.857%0.56545%0.453SS*.SBendtrans-130.6114.4172.5-65.4178.2179.6148.21.1107.8P1406 I1410 Q1435 K1439P1406-R1408 VanDerWaalsContact C-N 3.27Å; P1406-R1408 PolarHBondContact O-N 3.19Å; R1408-I1410 PolarHBondContact O-N 3.22Å; R1408-Q1435 PolarHBondContact O-NE2 3.13Å; R1408-Q1435 VanDerWaalsContact O-NE2 3.16Å; R1408-Q1435 PolarHBondContact O-OE1 3.21Å; R1408-K1439 PolarHBondContact NH1-O 3.08Å; R1408-K1439 VanDerWaalsContact NH1-O 3.15Å; R1408-K1439 PolarHBondContact NH2-O 3.16Å
1409D61.6Low58Low125.8 Ų125.886.1 Ų86.167%0.67348%0.482SS*.  trans-68121.2164.2-70.3-42.7000108.4P1406 D1411P1406-D1409 VanDerWaalsContact CG-OD1 3.31Å; P1406-D1409 WeakPolarHBondContact CG-OD1 3.33Å; D1409-D1411 PolarHBondContact O-N 3.06Å
1410I61.1Low57.9Low61.4 Ų61.486.5 Ų86.532%0.31549%0.488SS..  trans-84.4119.8172.2-59.9-179.2000107.2R1408 S1412 Y1426 E1429 N1430R1408-I1410 PolarHBondContact O-N 3.22Å; I1410-S1412 PolarHBondContact O-N 3.39Å; I1410-Y1426 HydrophobicContact CB-CE2 4.39Å; I1410-Y1426 HydrophobicContact CG2-CE2 4.18Å; I1410-E1429 HydrophobicContact CD1-CB 3.86Å; I1410-N1430 WeakPolarHBondContact CD1-OD1 3.39Å; I1410-N1430 WeakPolarHBondContact CG1-OD1 3.27Å
1411D54.2Low57.7Low133.8 Ų133.885.1 Ų85.172%0.71649%0.494SS*.  trans-42.4130.3-167.1-74.8-48.4000114.6D1409 L1413 S1414D1409-D1411 PolarHBondContact O-N 3.06Å; D1411-L1413 PolarHBondContact O-N 3Å; D1411-S1414 VanDerWaalsContact O-CB 3.3Å; D1411-S1414 WeakPolarHBondContact O-CB 3.44Å; D1411-S1414 PolarHBondContact O-N 3.14Å; D1411-S1414 PolarHBondContact O-OG 3.24Å; D1411-S1414 VanDerWaalsContact O-OG 3.14Å
1412S49.9Very low58.1Low107.2 Ų107.287.1 Ų87.175%0.7550%0.5SS*.G310 helixtrans-59.9-8.2-175.256.50000115.8I1410 S1414 S1415I1410-S1412 PolarHBondContact O-N 3.39Å; S1412-S1414 PolarHBondContact O-N 3.03Å; S1412-S1414 VanDerWaalsContact O-N 3.1Å; S1412-S1415 PolarHBondContact O-N 3.23Å; S1412-S1415 VanDerWaalsContact O-N 3.16Å
1413L45.5Very low58.6Low162.6 Ų162.686 Ų8685%0.85150%0.497SS*.G310 helixtrans-60-16.5169.2-112.374.9000113D1411 S1415D1411-L1413 PolarHBondContact O-N 3Å; L1413-S1415 VanDerWaalsContact C-N 3.29Å; L1413-S1415 PolarHBondContact O-N 3.3Å
1414S50.5Low59.1Low23.2 Ų23.282.7 Ų82.716%0.16248%0.48CS..G310 helixtrans-87.217.1178.267.30000114.9D1411 S1412 N1416 V1417 Y1426D1411-S1414 VanDerWaalsContact O-CB 3.3Å; D1411-S1414 WeakPolarHBondContact O-CB 3.44Å; D1411-S1414 PolarHBondContact O-N 3.14Å; D1411-S1414 PolarHBondContact O-OG 3.24Å; D1411-S1414 VanDerWaalsContact O-OG 3.14Å; S1412-S1414 PolarHBondContact O-N 3.03Å; S1412-S1414 VanDerWaalsContact O-N 3.1Å; S1414-N1416 PolarHBondContact O-N 3.06Å; S1414-N1416 VanDerWaalsContact O-N 3.13Å; S1414-V1417 WeakPolarHBondContact O-CA 3.37Å; S1414-V1417 VanDerWaalsContact O-CB 3.23Å; S1414-V1417 WeakPolarHBondContact O-CB 3.32Å; S1414-V1417 WeakPolarHBondContact O-CG2 3.27Å; S1414-V1417 PolarHBondContact O-N 3.11Å; S1414-V1417 WeakPolarHBondContact OG-CG2 3.45Å; S1414-Y1426 VanDerWaalsContact OG-CE2 3.28Å; S1414-Y1426 WeakPolarHBondContact OG-CE2 3.31Å; S1414-Y1426 PolarHBondContact OG-OH 2.83Å; S1414-Y1426 VanDerWaalsContact OG-OH 3.08Å
1415S48.9Very low59.8Low90.8 Ų90.881.1 Ų81.164%0.63547%0.469SS*.G310 helixtrans-51-34.5173.7-1770000112.9S1412 L1413 V1417 A1418S1412-S1415 PolarHBondContact O-N 3.23Å; S1412-S1415 VanDerWaalsContact O-N 3.16Å; L1413-S1415 VanDerWaalsContact C-N 3.29Å; L1413-S1415 PolarHBondContact O-N 3.3Å; S1415-V1417 VanDerWaalsContact C-N 3.28Å; S1415-V1417 PolarHBondContact O-N 2.88Å; S1415-V1417 VanDerWaalsContact O-N 3.16Å; S1415-A1418 WeakPolarHBondContact O-CB 3.34Å; S1415-A1418 PolarHBondContact O-N 3.15Å
1416N49Very low60.4Low137.4 Ų137.478 Ų7874%0.73545%0.449SS*.G310 helixtrans-69-17.9176.2-63.9-21.2000113.9S1414 A1419 S1420S1414-N1416 PolarHBondContact O-N 3.06Å; S1414-N1416 VanDerWaalsContact O-N 3.13Å; N1416-A1419 PolarHBondContact O-N 3.24Å; N1416-S1420 PolarHBondContact O-N 3.17Å
1417V53.5Low60.9Low52 Ų5278.6 Ų78.632%0.31545%0.449SS..G310 helixtrans-75.5-29.3179.4179.60000111.5S1414 S1415 A1419 S1420 Y1426S1414-V1417 WeakPolarHBondContact O-CA 3.37Å; S1414-V1417 VanDerWaalsContact O-CB 3.23Å; S1414-V1417 WeakPolarHBondContact O-CB 3.32Å; S1414-V1417 WeakPolarHBondContact O-CG2 3.27Å; S1414-V1417 PolarHBondContact O-N 3.11Å; S1414-V1417 WeakPolarHBondContact OG-CG2 3.45Å; S1415-V1417 VanDerWaalsContact C-N 3.28Å; S1415-V1417 PolarHBondContact O-N 2.88Å; S1415-V1417 VanDerWaalsContact O-N 3.16Å; V1417-A1419 PolarHBondContact O-N 3.04Å; V1417-S1420 WeakPolarHBondContact CA-OG 3.3Å; V1417-S1420 WeakPolarHBondContact CG1-OG 3.44Å; V1417-S1420 VanDerWaalsContact O-CB 3.29Å; V1417-S1420 WeakPolarHBondContact O-CB 3.37Å; V1417-S1420 PolarHBondContact O-N 3.21Å; V1417-S1420 PolarHBondContact O-OG 3.08Å; V1417-Y1426 HydrophobicContact CG1-CD2 3.88Å; V1417-Y1426 HydrophobicContact CG1-CG 3.93Å
1418A50.3Low61.8Low56 Ų5673.5 Ų73.546%0.46342%0.422SS..THydrogen-bonded Turntrans-62.2-25.8173.700000112.8S1415 A1423S1415-A1418 WeakPolarHBondContact O-CB 3.34Å; S1415-A1418 PolarHBondContact O-N 3.15Å; A1418-A1423 VanDerWaalsContact O-CB 3.29Å; A1418-A1423 WeakPolarHBondContact O-CB 3.43Å
1419A51.2Low62.4Low81.2 Ų81.268.5 Ų68.567%0.67141%0.405SS*.THydrogen-bonded Turntrans-92.3-4.1172.700000113.8N1416 V1417N1416-A1419 PolarHBondContact O-N 3.24Å; V1417-A1419 PolarHBondContact O-N 3.04Å
1420S60.9Low63.2Low43 Ų4363.9 Ų63.930%0.30138%0.38SS..SBendtrans-82.2161.3-177.380.50000112.4N1416 V1417 H1422 A1423N1416-S1420 PolarHBondContact O-N 3.17Å; V1417-S1420 WeakPolarHBondContact CA-OG 3.3Å; V1417-S1420 WeakPolarHBondContact CG1-OG 3.44Å; V1417-S1420 VanDerWaalsContact O-CB 3.29Å; V1417-S1420 WeakPolarHBondContact O-CB 3.37Å; V1417-S1420 PolarHBondContact O-N 3.21Å; V1417-S1420 PolarHBondContact O-OG 3.08Å; S1420-H1422 PolarHBondContact O-N 3.29Å; S1420-H1422 PolarHBondContact OG-N 3.08Å; S1420-H1422 VanDerWaalsContact OG-N 3.16Å; S1420-A1423 WeakPolarHBondContact O-CB 3.39Å; S1420-A1423 PolarHBondContact O-N 3.22Å; S1420-A1423 PolarHBondContact OG-N 3.34Å
1421S59.8Low64Low74 Ų7462.9 Ų62.952%0.51738%0.376SS..THydrogen-bonded Turntrans-58.7-8.5171.7-43.60000114.3Y1448 F1454S1421-Y1448 PolarHBondContact O-OH 3.2Å; S1421-F1454 WeakPolarHBondContact O-CD2 3.35Å; S1421-F1454 WeakPolarHBondContact O-CZ 3.32Å
1422H72.1Confident65Low66.6 Ų66.657.5 Ų57.531%0.30835%0.348SS..THydrogen-bonded Turntrans-109.614.4178.3-65.8-73.3000113.5S1420 L1424 L1425 Y1426 Y1448 Q1452 F1454S1420-H1422 PolarHBondContact O-N 3.29Å; S1420-H1422 PolarHBondContact OG-N 3.08Å; S1420-H1422 VanDerWaalsContact OG-N 3.16Å; H1422-L1424 PolarHBondContact O-N 3.41Å; H1422-L1424 VanDerWaalsContact O-N 3.13Å; H1422-L1425 WeakPolarHBondContact O-CB 3.39Å; H1422-L1425 PolarHBondContact O-N 3.23Å; H1422-Y1426 PolarHBondContact O-N 3.18Å; H1422-Y1448 WeakPolarHBondContact CA-OH 3.36Å; H1422-Y1448 HydrophobicContact CB-CE1 4.45Å; H1422-Y1448 AromaticContact CE1-CE1 3.84Å; H1422-Y1448 AromaticContact ND1-CE1 3.49Å; H1422-Y1448 WeakPolarHBondContact ND1-CE1 3.38Å; H1422-Y1448 AromaticContact ND1-CZ 3.76Å; H1422-Y1448 PolarHBondContact ND1-OH 2.91Å; H1422-Y1448 VanDerWaalsContact ND1-OH 3.11Å; H1422-Q1452 PolarHBondContact CE1-NE2 3.06Å; H1422-Q1452 PolarHBondContact CE1-OE1 2.99Å; H1422-Q1452 VanDerWaalsContact CE1-OE1 3.28Å; H1422-Q1452 PolarHBondContact NE2-NE2 3.02Å; H1422-F1454 AromaticContact CD2-CE2 3.99Å; H1422-F1454 AromaticContact CE1-CZ 3.81Å; H1422-F1454 AromaticContact ND1-CZ 3.97Å; H1422-F1454 AromaticContact NE2-CE2 3.69Å; H1422-F1454 AromaticContact NE2-CZ 3.93Å
1423A71.8Confident66.4Low18 Ų1855.7 Ų55.715%0.14934%0.335CS..Hα-helixtrans-50.7-39.4177.900000113.3A1418 S1420 L1425 Y1426 H1427A1418-A1423 VanDerWaalsContact O-CB 3.29Å; A1418-A1423 WeakPolarHBondContact O-CB 3.43Å; S1420-A1423 WeakPolarHBondContact O-CB 3.39Å; S1420-A1423 PolarHBondContact O-N 3.22Å; S1420-A1423 PolarHBondContact OG-N 3.34Å; A1423-L1425 VanDerWaalsContact C-N 3.3Å; A1423-L1425 PolarHBondContact O-N 3.16Å; A1423-Y1426 WeakPolarHBondContact O-CA 3.48Å; A1423-Y1426 WeakPolarHBondContact O-CB 3.36Å; A1423-Y1426 PolarHBondContact O-N 3.01Å; A1423-Y1426 VanDerWaalsContact O-N 3.1Å; A1423-H1427 PolarHBondContact O-CD2 3.07Å; A1423-H1427 PolarHBondContact O-N 3.24Å; A1423-H1427 VanDerWaalsContact O-N 3.09Å
1424L75.3Confident68.1Low24.6 Ų24.649.1 Ų49.113%0.12930%0.301CS..Hα-helixtrans-60.1-35.5176.7-66.1173.3000113.1H1422 Y1426 H1427 I1428 Y1448 T1511 I1686H1422-L1424 PolarHBondContact O-N 3.41Å; H1422-L1424 VanDerWaalsContact O-N 3.13Å; L1424-Y1426 VanDerWaalsContact C-N 3.32Å; L1424-Y1426 PolarHBondContact O-N 3.14Å; L1424-H1427 PolarHBondContact O-N 2.87Å; L1424-I1428 WeakPolarHBondContact O-CB 3.23Å; L1424-I1428 WeakPolarHBondContact O-CD1 3.38Å; L1424-I1428 VanDerWaalsContact O-CG1 3.28Å; L1424-I1428 WeakPolarHBondContact O-CG1 3.34Å; L1424-I1428 PolarHBondContact O-N 3.13Å; L1424-Y1448 HydrophobicContact CB-CE2 4.28Å; L1424-T1511 HydrophobicContact CB-CG2 4.31Å; L1424-T1511 HydrophobicContact CD1-CG2 4.24Å; L1424-I1686 HydrophobicContact CD1-CD1 3.77Å
1425L79.5Confident69.5Low25.6 Ų25.649.1 Ų49.113%0.13430%0.299CS..Hα-helixtrans-65.5-39.5174.3177.496.2000111.1H1422 A1423 H1427 I1428 E1429 L1444 R1445 Y1448H1422-L1425 WeakPolarHBondContact O-CB 3.39Å; H1422-L1425 PolarHBondContact O-N 3.23Å; A1423-L1425 VanDerWaalsContact C-N 3.3Å; A1423-L1425 PolarHBondContact O-N 3.16Å; L1425-H1427 VanDerWaalsContact C-N 3.33Å; L1425-H1427 PolarHBondContact O-N 3.15Å; L1425-I1428 PolarHBondContact O-N 3.34Å; L1425-E1429 HydrophobicContact CD1-CG 4Å; L1425-E1429 WeakPolarHBondContact CD1-OE1 3.42Å; L1425-E1429 HydrophobicContact CD2-CG 4.25Å; L1425-E1429 WeakPolarHBondContact CD2-OE2 3.44Å; L1425-E1429 HydrophobicContact CG-CG 4.28Å; L1425-E1429 WeakPolarHBondContact O-CB 3.4Å; L1425-E1429 WeakPolarHBondContact O-CG 3.27Å; L1425-E1429 PolarHBondContact O-N 3.08Å; L1425-L1444 HydrophobicContact CD1-CD2 4.41Å; L1425-R1445 HydrophobicContact CD1-CG 4.35Å; L1425-R1445 HydrophobicContact CD2-CG 4.32Å; L1425-Y1448 HydrophobicContact CB-CD1 4.15Å; L1425-Y1448 HydrophobicContact CB-CD2 4.06Å; L1425-Y1448 HydrophobicContact CB-CE1 4.03Å; L1425-Y1448 HydrophobicContact CB-CE2 3.92Å; L1425-Y1448 HydrophobicContact CB-CG 4.18Å; L1425-Y1448 HydrophobicContact CD1-CD1 3.89Å; L1425-Y1448 HydrophobicContact CD1-CD2 4.3Å; L1425-Y1448 HydrophobicContact CD1-CE1 4.18Å; L1425-Y1448 HydrophobicContact CD1-CG 3.78Å; L1425-Y1448 HydrophobicContact CD2-CD1 4.14Å; L1425-Y1448 HydrophobicContact CD2-CE1 4.39Å; L1425-Y1448 HydrophobicContact CG-CD1 4.24Å; L1425-Y1448 HydrophobicContact CG-CG 4.43Å
1426Y77Confident71Confident60.6 Ų60.647.2 Ų47.224%0.23829%0.288CS..Hα-helixtrans-63.1-40.2175.3-179.7-99.4000111.6I1410 S1414 V1417 H1422 A1423 L1424 I1428 N1430I1410-Y1426 HydrophobicContact CB-CE2 4.39Å; I1410-Y1426 HydrophobicContact CG2-CE2 4.18Å; S1414-Y1426 VanDerWaalsContact OG-CE2 3.28Å; S1414-Y1426 WeakPolarHBondContact OG-CE2 3.31Å; S1414-Y1426 PolarHBondContact OG-OH 2.83Å; S1414-Y1426 VanDerWaalsContact OG-OH 3.08Å; V1417-Y1426 HydrophobicContact CG1-CD2 3.88Å; V1417-Y1426 HydrophobicContact CG1-CG 3.93Å; H1422-Y1426 PolarHBondContact O-N 3.18Å; A1423-Y1426 WeakPolarHBondContact O-CA 3.48Å; A1423-Y1426 WeakPolarHBondContact O-CB 3.36Å; A1423-Y1426 PolarHBondContact O-N 3.01Å; A1423-Y1426 VanDerWaalsContact O-N 3.1Å; L1424-Y1426 VanDerWaalsContact C-N 3.32Å; L1424-Y1426 PolarHBondContact O-N 3.14Å; Y1426-I1428 VanDerWaalsContact C-N 3.32Å; Y1426-I1428 PolarHBondContact O-N 3.36Å; Y1426-N1430 VanDerWaalsContact CD1-ND2 3.31Å; Y1426-N1430 WeakPolarHBondContact CD1-ND2 3.36Å; Y1426-N1430 VanDerWaalsContact CD2-ND2 3.28Å; Y1426-N1430 WeakPolarHBondContact CD2-ND2 3.36Å; Y1426-N1430 VanDerWaalsContact CE1-ND2 3.27Å; Y1426-N1430 WeakPolarHBondContact CE1-ND2 3.41Å; Y1426-N1430 WeakPolarHBondContact CE2-ND2 3.38Å; Y1426-N1430 VanDerWaalsContact CZ-ND2 3.29Å; Y1426-N1430 VanDerWaalsContact O-CB 3.28Å; Y1426-N1430 WeakPolarHBondContact O-CB 3.36Å; Y1426-N1430 VanDerWaalsContact O-CG 3.28Å; Y1426-N1430 PolarHBondContact O-N 3.01Å; Y1426-N1430 VanDerWaalsContact O-N 3.1Å; Y1426-N1430 PolarHBondContact O-ND2 3.13Å
1427H77.8Confident72.6Confident46 Ų4643.9 Ų43.921%0.21328%0.276CS..Hα-helixtrans-67.3-35.7174.4-67-72.7000113.1A1423 L1424 L1425 N1431 I1514 L1515A1423-H1427 PolarHBondContact O-CD2 3.07Å; A1423-H1427 PolarHBondContact O-N 3.24Å; A1423-H1427 VanDerWaalsContact O-N 3.09Å; L1424-H1427 PolarHBondContact O-N 2.87Å; L1425-H1427 VanDerWaalsContact C-N 3.33Å; L1425-H1427 PolarHBondContact O-N 3.15Å; H1427-N1431 PolarHBondContact O-N 3.18Å; H1427-I1514 HydrophobicContact CB-CG2 3.85Å; H1427-L1515 HydrophobicContact CB-CD2 4.38Å
1428I80.7Confident74Confident4 Ų444.3 Ų44.32%0.02127%0.274CS..Hα-helixtrans-67.1-50.9173.8-65156.8000111.1L1424 L1425 Y1426 N1430 N1431 C1434 L1444 Y1448 L1510 T1511 I1514L1424-I1428 WeakPolarHBondContact O-CB 3.23Å; L1424-I1428 WeakPolarHBondContact O-CD1 3.38Å; L1424-I1428 VanDerWaalsContact O-CG1 3.28Å; L1424-I1428 WeakPolarHBondContact O-CG1 3.34Å; L1424-I1428 PolarHBondContact O-N 3.13Å; L1425-I1428 PolarHBondContact O-N 3.34Å; Y1426-I1428 VanDerWaalsContact C-N 3.32Å; Y1426-I1428 PolarHBondContact O-N 3.36Å; I1428-N1430 VanDerWaalsContact C-N 3.29Å; I1428-N1430 PolarHBondContact O-N 3.2Å; I1428-N1431 WeakPolarHBondContact O-CB 3.27Å; I1428-N1431 PolarHBondContact O-N 3.1Å; I1428-N1431 VanDerWaalsContact O-N 3.11Å; I1428-C1434 HydrophobicContact CG2-CB 4.49Å; I1428-C1434 WeakPolarHBondContact O-CB 3.41Å; I1428-L1444 HydrophobicContact CB-CD2 4Å; I1428-L1444 HydrophobicContact CG2-CB 4.19Å; I1428-L1444 HydrophobicContact CG2-CD1 3.89Å; I1428-L1444 HydrophobicContact CG2-CD2 4.03Å; I1428-L1444 HydrophobicContact CG2-CG 4.12Å; I1428-Y1448 HydrophobicContact CD1-CD2 4.04Å; I1428-Y1448 HydrophobicContact CD1-CE2 4.25Å; I1428-L1510 HydrophobicContact CD1-CD2 4.1Å; I1428-L1510 VanDerWaalsContact CD1-CD2 3.48Å; I1428-L1510 HydrophobicContact CD1-CG 4.38Å; I1428-T1511 HydrophobicContact CD1-CG2 4.1Å; I1428-I1514 HydrophobicContact CB-CD1 4.4Å; I1428-I1514 HydrophobicContact CD1-CD1 4.3Å; I1428-I1514 HydrophobicContact CG1-CD1 3.43Å; I1428-I1514 VanDerWaalsContact CG1-CD1 3.42Å; I1428-I1514 HydrophobicContact CG1-CG2 4.32Å; I1428-I1514 HydrophobicContact CG2-CD1 4.22Å
1429E79.5Confident75.4Confident45.4 Ų45.447.4 Ų47.421%0.21228%0.277CS..Hα-helixtrans-68.8-25.8-175.6-71.3-175.9167.900112.7I1410 L1425 Q1435 L1444 R1445I1410-E1429 HydrophobicContact CD1-CB 3.86Å; L1425-E1429 HydrophobicContact CD1-CG 4Å; L1425-E1429 WeakPolarHBondContact CD1-OE1 3.42Å; L1425-E1429 HydrophobicContact CD2-CG 4.25Å; L1425-E1429 WeakPolarHBondContact CD2-OE2 3.44Å; L1425-E1429 HydrophobicContact CG-CG 4.28Å; L1425-E1429 WeakPolarHBondContact O-CB 3.4Å; L1425-E1429 WeakPolarHBondContact O-CG 3.27Å; L1425-E1429 PolarHBondContact O-N 3.08Å; E1429-Q1435 VanDerWaalsContact O-CG 3.22Å; E1429-Q1435 WeakPolarHBondContact O-CG 3.31Å; E1429-Q1435 PolarHBondContact O-NE2 3.21Å; E1429-L1444 HydrophobicContact CG-CD2 4Å; E1429-R1445 VanDerWaalsContact CD-NH2 3.27Å; E1429-R1445 WeakPolarHBondContact OE1-CD 3.38Å; E1429-R1445 IonicContact OE1-CZ 2.71Å; E1429-R1445 VanDerWaalsContact OE1-CZ 3.28Å; E1429-R1445 IonicContact OE1-NE 2.75Å; E1429-R1445 PolarHBondContact OE1-NE 3.12Å; E1429-R1445 IonicContact OE1-NH2 3.27Å; E1429-R1445 PolarHBondContact OE1-NH2 3.49Å; E1429-R1445 IonicContact OE2-CZ 2.69Å; E1429-R1445 IonicContact OE2-NE 2.68Å; E1429-R1445 IonicContact OE2-NH2 3.95Å; E1429-R1445 PolarHBondContact OE2-NH2 3.13Å
1430N77.9Confident76.9Confident28.4 Ų28.450.7 Ų50.715%0.15228%0.283CS..THydrogen-bonded Turntrans-88.5-2.7173.1-70-49.6000114.4I1410 Y1426 I1428 P1432I1410-N1430 WeakPolarHBondContact CD1-OD1 3.39Å; I1410-N1430 WeakPolarHBondContact CG1-OD1 3.27Å; Y1426-N1430 VanDerWaalsContact CD1-ND2 3.31Å; Y1426-N1430 WeakPolarHBondContact CD1-ND2 3.36Å; Y1426-N1430 VanDerWaalsContact CD2-ND2 3.28Å; Y1426-N1430 WeakPolarHBondContact CD2-ND2 3.36Å; Y1426-N1430 VanDerWaalsContact CE1-ND2 3.27Å; Y1426-N1430 WeakPolarHBondContact CE1-ND2 3.41Å; Y1426-N1430 WeakPolarHBondContact CE2-ND2 3.38Å; Y1426-N1430 VanDerWaalsContact CZ-ND2 3.29Å; Y1426-N1430 VanDerWaalsContact O-CB 3.28Å; Y1426-N1430 WeakPolarHBondContact O-CB 3.36Å; Y1426-N1430 VanDerWaalsContact O-CG 3.28Å; Y1426-N1430 PolarHBondContact O-N 3.01Å; Y1426-N1430 VanDerWaalsContact O-N 3.1Å; Y1426-N1430 PolarHBondContact O-ND2 3.13Å; I1428-N1430 VanDerWaalsContact C-N 3.29Å; I1428-N1430 PolarHBondContact O-N 3.2Å; N1430-P1432 WeakPolarHBondContact O-CD 3.39Å
1431N78.9Confident78.1Confident41.2 Ų41.251.5 Ų51.522%0.2228%0.284CS..  trans-72.1120.7176.1-173.7-39.1000109.3H1427 I1428 C1433 C1434 Q1435H1427-N1431 PolarHBondContact O-N 3.18Å; I1428-N1431 WeakPolarHBondContact O-CB 3.27Å; I1428-N1431 PolarHBondContact O-N 3.1Å; I1428-N1431 VanDerWaalsContact O-N 3.11Å; N1431-C1433 VanDerWaalsContact C-N 3.27Å; N1431-C1433 PolarHBondContact O-N 3.08Å; N1431-C1433 WeakPolarHBondContact OD1-CB 3.3Å; N1431-C1433 PolarHBondContact OD1-N 3.07Å; N1431-C1434 HydrophobicContact CB-CB 4.1Å; N1431-C1434 WeakPolarHBondContact O-CB 3.19Å; N1431-C1434 PolarHBondContact O-N 3.25Å; N1431-C1434 VanDerWaalsContact O-N 3.08Å; N1431-Q1435 PolarHBondContact O-N 3.05Å; N1431-Q1435 VanDerWaalsContact O-N 3.09Å
1432P75.8Confident79.3Confident19.2 Ų19.253.7 Ų53.713%0.12529%0.289CS..Hα-helixtrans-59.5-32.9-176.522.9-33.8000112.8V1404 N1430 C1434 Q1435 A1436V1404-P1432 HydrophobicContact CB-CB 4.5Å; V1404-P1432 HydrophobicContact CB-CG 4.11Å; V1404-P1432 HydrophobicContact CG1-CB 3.67Å; V1404-P1432 HydrophobicContact CG1-CG 3.63Å; V1404-P1432 VanDerWaalsContact CG1-CG 3.49Å; N1430-P1432 WeakPolarHBondContact O-CD 3.39Å; P1432-C1434 VanDerWaalsContact C-N 3.27Å; P1432-C1434 PolarHBondContact O-N 3.14Å; P1432-Q1435 PolarHBondContact O-N 3.17Å; P1432-A1436 WeakPolarHBondContact O-CB 3.35Å; P1432-A1436 PolarHBondContact O-N 3.4Å; P1432-A1436 VanDerWaalsContact O-N 3.17Å
1433C79.2Confident80.1Confident70.8 Ų70.856.2 Ų56.248%0.47830%0.296SS..Hα-helixtrans-67-37.2176.5-134.10000112N1431 Q1435 A1436 S1437N1431-C1433 VanDerWaalsContact C-N 3.27Å; N1431-C1433 PolarHBondContact O-N 3.08Å; N1431-C1433 WeakPolarHBondContact OD1-CB 3.3Å; N1431-C1433 PolarHBondContact OD1-N 3.07Å; C1433-Q1435 VanDerWaalsContact C-N 3.35Å; C1433-Q1435 PolarHBondContact O-N 2.92Å; C1433-A1436 PolarHBondContact O-N 3.26Å; C1433-A1436 VanDerWaalsContact O-N 3.17Å; C1433-S1437 VanDerWaalsContact O-CB 3.29Å; C1433-S1437 WeakPolarHBondContact O-CB 3.44Å; C1433-S1437 PolarHBondContact O-N 3.1Å; C1433-S1437 PolarHBondContact O-OG 3.07Å
1434C80.2Confident80.8Confident22.4 Ų22.456.6 Ų56.615%0.15130%0.296CS..Hα-helixtrans-69.4-42.7175.4-65.40000111.7I1428 N1431 P1432 A1436 S1437 F1438 L1444I1428-C1434 HydrophobicContact CG2-CB 4.49Å; I1428-C1434 WeakPolarHBondContact O-CB 3.41Å; N1431-C1434 HydrophobicContact CB-CB 4.1Å; N1431-C1434 WeakPolarHBondContact O-CB 3.19Å; N1431-C1434 PolarHBondContact O-N 3.25Å; N1431-C1434 VanDerWaalsContact O-N 3.08Å; P1432-C1434 VanDerWaalsContact C-N 3.27Å; P1432-C1434 PolarHBondContact O-N 3.14Å; C1434-A1436 VanDerWaalsContact C-N 3.34Å; C1434-A1436 PolarHBondContact O-N 3.08Å; C1434-S1437 PolarHBondContact O-N 3.15Å; C1434-F1438 PolarHBondContact O-N 3.22Å; C1434-L1444 HydrophobicContact CB-CD1 3.78Å; C1434-L1444 HydrophobicContact CB-CD2 3.94Å
1435Q79.7Confident81.4Confident24.8 Ų24.861.5 Ų61.512%0.11631%0.313CS..Hα-helixtrans-64.9-36.3177-66.3-171.7-5.500112.9L1407 R1408 E1429 N1431 P1432 C1433 S1437 K1439L1407-Q1435 HydrophobicContact CB-CB 4.42Å; L1407-Q1435 HydrophobicContact CD1-CB 4.38Å; R1408-Q1435 PolarHBondContact O-NE2 3.13Å; R1408-Q1435 VanDerWaalsContact O-NE2 3.16Å; R1408-Q1435 PolarHBondContact O-OE1 3.21Å; E1429-Q1435 VanDerWaalsContact O-CG 3.22Å; E1429-Q1435 WeakPolarHBondContact O-CG 3.31Å; E1429-Q1435 PolarHBondContact O-NE2 3.21Å; N1431-Q1435 PolarHBondContact O-N 3.05Å; N1431-Q1435 VanDerWaalsContact O-N 3.09Å; P1432-Q1435 PolarHBondContact O-N 3.17Å; C1433-Q1435 VanDerWaalsContact C-N 3.35Å; C1433-Q1435 PolarHBondContact O-N 2.92Å; Q1435-S1437 VanDerWaalsContact C-N 3.32Å; Q1435-S1437 PolarHBondContact O-N 2.91Å; Q1435-K1439 VanDerWaalsContact O-CA 3.23Å; Q1435-K1439 WeakPolarHBondContact O-CA 3.27Å; Q1435-K1439 WeakPolarHBondContact O-CB 3.36Å; Q1435-K1439 PolarHBondContact O-N 3.13Å
1436A81.3Confident81.8Confident49.6 Ų49.663.9 Ų63.941%0.4132%0.323SS..Hα-helixtrans-69.9-44.6176.200000112.1L1407 P1432 C1433 C1434 F1438L1407-A1436 VanDerWaalsContact CD1-CA 3.5Å; L1407-A1436 HydrophobicContact CD1-CB 4.06Å; P1432-A1436 WeakPolarHBondContact O-CB 3.35Å; P1432-A1436 PolarHBondContact O-N 3.4Å; P1432-A1436 VanDerWaalsContact O-N 3.17Å; C1433-A1436 PolarHBondContact O-N 3.26Å; C1433-A1436 VanDerWaalsContact O-N 3.17Å; C1434-A1436 VanDerWaalsContact C-N 3.34Å; C1434-A1436 PolarHBondContact O-N 3.08Å; A1436-F1438 PolarHBondContact O-N 3.47Å
1437S82.4Confident82.4Confident68 Ų6862.2 Ų62.248%0.47632%0.321SS..Hα-helixtrans-70.4-35.8-176.6-72.10000113.6C1433 C1434 Q1435C1433-S1437 VanDerWaalsContact O-CB 3.29Å; C1433-S1437 WeakPolarHBondContact O-CB 3.44Å; C1433-S1437 PolarHBondContact O-N 3.1Å; C1433-S1437 PolarHBondContact O-OG 3.07Å; C1434-S1437 PolarHBondContact O-N 3.15Å; Q1435-S1437 VanDerWaalsContact C-N 3.32Å; Q1435-S1437 PolarHBondContact O-N 2.91Å
1438F83.5Confident83Confident61.8 Ų61.860.3 Ų60.327%0.27131%0.312SS..THydrogen-bonded Turntrans-122.642.5-173.7-54.7-58.3000112.2C1434 A1436 N1440 D1441 R1443 L1444C1434-F1438 PolarHBondContact O-N 3.22Å; A1436-F1438 PolarHBondContact O-N 3.47Å; F1438-N1440 VanDerWaalsContact C-N 3.27Å; F1438-N1440 PolarHBondContact O-N 3.01Å; F1438-N1440 VanDerWaalsContact O-N 3.09Å; F1438-D1441 PolarHBondContact O-N 3.26Å; F1438-D1441 VanDerWaalsContact O-N 3.09Å; F1438-R1443 VanDerWaalsContact CD1-CD 3.45Å; F1438-R1443 HydrophobicContact CD1-CG 4.06Å; F1438-R1443 VanDerWaalsContact CD1-NE 3.31Å; F1438-R1443 VanDerWaalsContact CE1-CD 3.5Å; F1438-R1443 HydrophobicContact CE1-CG 4.38Å; F1438-R1443 HydrophobicContact CG-CG 4.23Å; F1438-L1444 HydrophobicContact CD2-CB 4.23Å; F1438-L1444 HydrophobicContact CD2-CD1 3.86Å; F1438-L1444 HydrophobicContact CD2-CD2 4.08Å; F1438-L1444 HydrophobicContact CD2-CG 4.06Å; F1438-L1444 HydrophobicContact CE2-CB 4.42Å; F1438-L1444 HydrophobicContact CE2-CD1 4.3Å; F1438-L1444 HydrophobicContact CE2-CD2 4.24Å; F1438-L1444 HydrophobicContact CE2-CG 4.45Å
1439K79.8Confident83.3Confident120.2 Ų120.265.4 Ų65.452%0.52333%0.331SS..THydrogen-bonded Turntrans-54.6-33.7-176.2170.4177.6179.9-179.10115.1R1408 Q1435R1408-K1439 PolarHBondContact NH1-O 3.08Å; R1408-K1439 VanDerWaalsContact NH1-O 3.15Å; R1408-K1439 PolarHBondContact NH2-O 3.16Å; Q1435-K1439 VanDerWaalsContact O-CA 3.23Å; Q1435-K1439 WeakPolarHBondContact O-CA 3.27Å; Q1435-K1439 WeakPolarHBondContact O-CB 3.36Å; Q1435-K1439 PolarHBondContact O-N 3.13Å
1440N81.8Confident83.7Confident150.4 Ų150.468.1 Ų68.180%0.80435%0.347SS*.THydrogen-bonded Turntrans-100.5-11.2-168.6-64.4-10.6000114F1438F1438-N1440 VanDerWaalsContact C-N 3.27Å; F1438-N1440 PolarHBondContact O-N 3.01Å; F1438-N1440 VanDerWaalsContact O-N 3.09Å
1441D85.9Confident84.2Confident59.6 Ų59.668.3 Ų68.332%0.31935%0.348SS..  trans-136.5160.2-169.867.533.7000112.7F1438 R1443F1438-D1441 PolarHBondContact O-N 3.26Å; F1438-D1441 VanDerWaalsContact O-N 3.09Å; D1441-R1443 HydrophobicContact CB-CB 4.13Å; D1441-R1443 HydrophobicContact CB-CG 3.92Å; D1441-R1443 VanDerWaalsContact CG-NE 3.3Å; D1441-R1443 PolarHBondContact O-N 3.33Å; D1441-R1443 VanDerWaalsContact OD1-CB 3.28Å; D1441-R1443 WeakPolarHBondContact OD1-CB 3.33Å; D1441-R1443 WeakPolarHBondContact OD1-CG 3.32Å; D1441-R1443 IonicContact OD1-CZ 3.54Å; D1441-R1443 PolarHBondContact OD1-N 3.27Å; D1441-R1443 VanDerWaalsContact OD1-N 3.12Å; D1441-R1443 IonicContact OD1-NE 3.35Å; D1441-R1443 PolarHBondContact OD1-NE 3.1Å; D1441-R1443 VanDerWaalsContact OD1-NE 3.08Å; D1441-R1443 IonicContact OD2-CZ 3.16Å; D1441-R1443 VanDerWaalsContact OD2-CZ 3.26Å; D1441-R1443 IonicContact OD2-NE 3.31Å; D1441-R1443 PolarHBondContact OD2-NE 3.13Å; D1441-R1443 IonicContact OD2-NH2 2.98Å; D1441-R1443 PolarHBondContact OD2-NH2 3.26Å
1442L85.9Confident84.6Confident120.4 Ų120.468.3 Ų68.363%0.6335%0.346SS*.  trans-100.923177.3-59.6178.7000112.1L1444 R1445 E1446L1442-L1444 VanDerWaalsContact C-N 3.3Å; L1442-L1444 PolarHBondContact O-N 3.21Å; L1442-R1445 HydrophobicContact CB-CB 4.41Å; L1442-R1445 WeakPolarHBondContact O-CA 3.39Å; L1442-R1445 WeakPolarHBondContact O-CB 3.35Å; L1442-R1445 PolarHBondContact O-N 3.09Å; L1442-E1446 PolarHBondContact O-N 3.14Å; L1442-E1446 VanDerWaalsContact O-N 3.12Å
1443R89Confident84.9Confident118.4 Ų118.467.4 Ų67.445%0.44734%0.34SS..Hα-helixtrans-57.6-32.7-174.773.7177.472.3179.80.4113.3F1438 D1441 R1445 E1446 A1447F1438-R1443 VanDerWaalsContact CD1-CD 3.45Å; F1438-R1443 HydrophobicContact CD1-CG 4.06Å; F1438-R1443 VanDerWaalsContact CD1-NE 3.31Å; F1438-R1443 VanDerWaalsContact CE1-CD 3.5Å; F1438-R1443 HydrophobicContact CE1-CG 4.38Å; F1438-R1443 HydrophobicContact CG-CG 4.23Å; D1441-R1443 HydrophobicContact CB-CB 4.13Å; D1441-R1443 HydrophobicContact CB-CG 3.92Å; D1441-R1443 VanDerWaalsContact CG-NE 3.3Å; D1441-R1443 PolarHBondContact O-N 3.33Å; D1441-R1443 VanDerWaalsContact OD1-CB 3.28Å; D1441-R1443 WeakPolarHBondContact OD1-CB 3.33Å; D1441-R1443 WeakPolarHBondContact OD1-CG 3.32Å; D1441-R1443 IonicContact OD1-CZ 3.54Å; D1441-R1443 PolarHBondContact OD1-N 3.27Å; D1441-R1443 VanDerWaalsContact OD1-N 3.12Å; D1441-R1443 IonicContact OD1-NE 3.35Å; D1441-R1443 PolarHBondContact OD1-NE 3.1Å; D1441-R1443 VanDerWaalsContact OD1-NE 3.08Å; D1441-R1443 IonicContact OD2-CZ 3.16Å; D1441-R1443 VanDerWaalsContact OD2-CZ 3.26Å; D1441-R1443 IonicContact OD2-NE 3.31Å; D1441-R1443 PolarHBondContact OD2-NE 3.13Å; D1441-R1443 IonicContact OD2-NH2 2.98Å; D1441-R1443 PolarHBondContact OD2-NH2 3.26Å; R1443-R1445 PolarHBondContact O-N 3.39Å; R1443-E1446 WeakPolarHBondContact O-CB 3.41Å; R1443-E1446 PolarHBondContact O-N 3.13Å; R1443-A1447 VanDerWaalsContact O-CB 3.3Å; R1443-A1447 WeakPolarHBondContact O-CB 3.43Å; R1443-A1447 PolarHBondContact O-N 3.16Å
1444L86.3Confident85Confident27.2 Ų27.265.2 Ų65.214%0.14232%0.323CS..Hα-helixtrans-66-41.7176.1-106.5150000112L1425 I1428 E1429 C1434 F1438 L1442 E1446 A1447 Y1448L1425-L1444 HydrophobicContact CD1-CD2 4.41Å; I1428-L1444 HydrophobicContact CB-CD2 4Å; I1428-L1444 HydrophobicContact CG2-CB 4.19Å; I1428-L1444 HydrophobicContact CG2-CD1 3.89Å; I1428-L1444 HydrophobicContact CG2-CD2 4.03Å; I1428-L1444 HydrophobicContact CG2-CG 4.12Å; E1429-L1444 HydrophobicContact CG-CD2 4Å; C1434-L1444 HydrophobicContact CB-CD1 3.78Å; C1434-L1444 HydrophobicContact CB-CD2 3.94Å; F1438-L1444 HydrophobicContact CD2-CB 4.23Å; F1438-L1444 HydrophobicContact CD2-CD1 3.86Å; F1438-L1444 HydrophobicContact CD2-CD2 4.08Å; F1438-L1444 HydrophobicContact CD2-CG 4.06Å; F1438-L1444 HydrophobicContact CE2-CB 4.42Å; F1438-L1444 HydrophobicContact CE2-CD1 4.3Å; F1438-L1444 HydrophobicContact CE2-CD2 4.24Å; F1438-L1444 HydrophobicContact CE2-CG 4.45Å; L1442-L1444 VanDerWaalsContact C-N 3.3Å; L1442-L1444 PolarHBondContact O-N 3.21Å; L1444-E1446 VanDerWaalsContact C-N 3.34Å; L1444-A1447 PolarHBondContact O-N 3.14Å; L1444-Y1448 VanDerWaalsContact O-CB 3.29Å; L1444-Y1448 WeakPolarHBondContact O-CB 3.35Å; L1444-Y1448 PolarHBondContact O-N 2.94Å
1445R86.8Confident85Confident128 Ų12866 Ų6648%0.48333%0.329SS..Hα-helixtrans-68.1-35175.5-173.3171.6-165174.90.4111.8L1425 E1429 L1442 R1443 R1449L1425-R1445 HydrophobicContact CD1-CG 4.35Å; L1425-R1445 HydrophobicContact CD2-CG 4.32Å; E1429-R1445 VanDerWaalsContact CD-NH2 3.27Å; E1429-R1445 WeakPolarHBondContact OE1-CD 3.38Å; E1429-R1445 IonicContact OE1-CZ 2.71Å; E1429-R1445 VanDerWaalsContact OE1-CZ 3.28Å; E1429-R1445 IonicContact OE1-NE 2.75Å; E1429-R1445 PolarHBondContact OE1-NE 3.12Å; E1429-R1445 IonicContact OE1-NH2 3.27Å; E1429-R1445 PolarHBondContact OE1-NH2 3.49Å; E1429-R1445 IonicContact OE2-CZ 2.69Å; E1429-R1445 IonicContact OE2-NE 2.68Å; E1429-R1445 IonicContact OE2-NH2 3.95Å; E1429-R1445 PolarHBondContact OE2-NH2 3.13Å; L1442-R1445 HydrophobicContact CB-CB 4.41Å; L1442-R1445 WeakPolarHBondContact O-CA 3.39Å; L1442-R1445 WeakPolarHBondContact O-CB 3.35Å; L1442-R1445 PolarHBondContact O-N 3.09Å; R1443-R1445 PolarHBondContact O-N 3.39Å; R1445-R1449 VanDerWaalsContact O-CB 3.29Å; R1445-R1449 WeakPolarHBondContact O-CB 3.37Å; R1445-R1449 PolarHBondContact O-N 3.22Å
1446E88.8Confident85.1Confident76.4 Ų76.467.2 Ų67.236%0.35733%0.334SS..Hα-helixtrans-70.3-42.9172.8-89.2-48.1128.700112.4L1442 R1443 L1444 Y1448 R1449 L1450L1442-E1446 PolarHBondContact O-N 3.14Å; L1442-E1446 VanDerWaalsContact O-N 3.12Å; R1443-E1446 WeakPolarHBondContact O-CB 3.41Å; R1443-E1446 PolarHBondContact O-N 3.13Å; L1444-E1446 VanDerWaalsContact C-N 3.34Å; E1446-Y1448 VanDerWaalsContact C-N 3.34Å; E1446-Y1448 PolarHBondContact O-N 3.26Å; E1446-R1449 VanDerWaalsContact CD-NE 3.29Å; E1446-R1449 CarbonylContact O-C 3.54Å; E1446-R1449 WeakPolarHBondContact O-CA 3.33Å; E1446-R1449 WeakPolarHBondContact O-CB 3.34Å; E1446-R1449 PolarHBondContact O-N 3.14Å; E1446-R1449 VanDerWaalsContact O-N 3.16Å; E1446-R1449 WeakPolarHBondContact OE1-CD 3.4Å; E1446-R1449 IonicContact OE1-CZ 2.83Å; E1446-R1449 IonicContact OE1-NE 3.22Å; E1446-R1449 PolarHBondContact OE1-NE 3.21Å; E1446-R1449 IonicContact OE1-NH1 2.66Å; E1446-R1449 PolarHBondContact OE1-NH1 3.1Å; E1446-R1449 IonicContact OE1-NH2 2.77Å; E1446-R1449 IonicContact OE2-CZ 3.2Å; E1446-R1449 VanDerWaalsContact OE2-CZ 3.23Å; E1446-R1449 IonicContact OE2-NE 3.34Å; E1446-R1449 PolarHBondContact OE2-NE 3.26Å; E1446-R1449 IonicContact OE2-NH1 3.9Å; E1446-R1449 PolarHBondContact OE2-NH1 3.05Å; E1446-R1449 IonicContact OE2-NH2 2.68Å; E1446-R1449 PolarHBondContact OE2-NH2 3.22Å; E1446-L1450 VanDerWaalsContact O-CG 3.32Å; E1446-L1450 WeakPolarHBondContact O-CG 3.31Å; E1446-L1450 PolarHBondContact O-N 3.31Å
1447A90.1Very high85.2Confident24 Ų2465.5 Ų65.520%0.19832%0.318CS..Hα-helixtrans-59.8-45.3173.900000111.4R1443 L1444 R1449 L1450 L1451 L1510R1443-A1447 VanDerWaalsContact O-CB 3.3Å; R1443-A1447 WeakPolarHBondContact O-CB 3.43Å; R1443-A1447 PolarHBondContact O-N 3.16Å; L1444-A1447 PolarHBondContact O-N 3.14Å; A1447-R1449 VanDerWaalsContact C-N 3.33Å; A1447-R1449 PolarHBondContact O-N 3.24Å; A1447-L1450 PolarHBondContact O-N 3.32Å; A1447-L1451 WeakPolarHBondContact O-CB 3.36Å; A1447-L1451 WeakPolarHBondContact O-CG 3.38Å; A1447-L1451 PolarHBondContact O-N 3.26Å; A1447-L1451 VanDerWaalsContact O-N 3.07Å; A1447-L1510 HydrophobicContact CB-CD1 4.16Å; A1447-L1510 HydrophobicContact CB-CD2 4.39Å
1448Y88.7Confident85.2Confident6 Ų671.8 Ų71.82%0.02433%0.332CS..Hα-helixtrans-60.6-42.4172.9-173.8-83.6000111.8S1421 H1422 L1424 L1425 I1428 L1444 E1446 L1450 L1451 Q1452 F1454 L1510S1421-Y1448 PolarHBondContact O-OH 3.2Å; H1422-Y1448 WeakPolarHBondContact CA-OH 3.36Å; H1422-Y1448 HydrophobicContact CB-CE1 4.45Å; H1422-Y1448 AromaticContact CE1-CE1 3.84Å; H1422-Y1448 AromaticContact ND1-CE1 3.49Å; H1422-Y1448 WeakPolarHBondContact ND1-CE1 3.38Å; H1422-Y1448 AromaticContact ND1-CZ 3.76Å; H1422-Y1448 PolarHBondContact ND1-OH 2.91Å; H1422-Y1448 VanDerWaalsContact ND1-OH 3.11Å; L1424-Y1448 HydrophobicContact CB-CE2 4.28Å; L1425-Y1448 HydrophobicContact CB-CD1 4.15Å; L1425-Y1448 HydrophobicContact CB-CD2 4.06Å; L1425-Y1448 HydrophobicContact CB-CE1 4.03Å; L1425-Y1448 HydrophobicContact CB-CE2 3.92Å; L1425-Y1448 HydrophobicContact CB-CG 4.18Å; L1425-Y1448 HydrophobicContact CD1-CD1 3.89Å; L1425-Y1448 HydrophobicContact CD1-CD2 4.3Å; L1425-Y1448 HydrophobicContact CD1-CE1 4.18Å; L1425-Y1448 HydrophobicContact CD1-CG 3.78Å; L1425-Y1448 HydrophobicContact CD2-CD1 4.14Å; L1425-Y1448 HydrophobicContact CD2-CE1 4.39Å; L1425-Y1448 HydrophobicContact CG-CD1 4.24Å; L1425-Y1448 HydrophobicContact CG-CG 4.43Å; I1428-Y1448 HydrophobicContact CD1-CD2 4.04Å; I1428-Y1448 HydrophobicContact CD1-CE2 4.25Å; L1444-Y1448 VanDerWaalsContact O-CB 3.29Å; L1444-Y1448 WeakPolarHBondContact O-CB 3.35Å; L1444-Y1448 PolarHBondContact O-N 2.94Å; E1446-Y1448 VanDerWaalsContact C-N 3.34Å; E1446-Y1448 PolarHBondContact O-N 3.26Å; Y1448-L1450 VanDerWaalsContact C-N 3.28Å; Y1448-L1450 PolarHBondContact O-N 3.16Å; Y1448-L1451 CarbonylContact O-C 3.46Å; Y1448-L1451 PolarHBondContact O-N 3.16Å; Y1448-L1451 VanDerWaalsContact O-N 3.16Å; Y1448-Q1452 HydrophobicContact CD1-CB 4.31Å; Y1448-Q1452 HydrophobicContact CE1-CB 4.2Å; Y1448-Q1452 WeakPolarHBondContact O-CB 3.42Å; Y1448-Q1452 PolarHBondContact O-N 3.08Å; Y1448-F1454 HydrophobicContact CE1-CZ 4.37Å; Y1448-F1454 WeakPolarHBondContact OH-CE1 3.45Å; Y1448-F1454 WeakPolarHBondContact OH-CZ 3.22Å; Y1448-L1510 HydrophobicContact CD2-CD2 4.34Å
1449R86.9Confident85.1Confident111.6 Ų111.669.6 Ų69.642%0.42132%0.323SS..Hα-helixtrans-63.6-30176.9-167.2-170.14976.63113R1445 E1446 A1447 Q1452R1445-R1449 VanDerWaalsContact O-CB 3.29Å; R1445-R1449 WeakPolarHBondContact O-CB 3.37Å; R1445-R1449 PolarHBondContact O-N 3.22Å; E1446-R1449 VanDerWaalsContact CD-NE 3.29Å; E1446-R1449 CarbonylContact O-C 3.54Å; E1446-R1449 WeakPolarHBondContact O-CA 3.33Å; E1446-R1449 WeakPolarHBondContact O-CB 3.34Å; E1446-R1449 PolarHBondContact O-N 3.14Å; E1446-R1449 VanDerWaalsContact O-N 3.16Å; E1446-R1449 WeakPolarHBondContact OE1-CD 3.4Å; E1446-R1449 IonicContact OE1-CZ 2.83Å; E1446-R1449 IonicContact OE1-NE 3.22Å; E1446-R1449 PolarHBondContact OE1-NE 3.21Å; E1446-R1449 IonicContact OE1-NH1 2.66Å; E1446-R1449 PolarHBondContact OE1-NH1 3.1Å; E1446-R1449 IonicContact OE1-NH2 2.77Å; E1446-R1449 IonicContact OE2-CZ 3.2Å; E1446-R1449 VanDerWaalsContact OE2-CZ 3.23Å; E1446-R1449 IonicContact OE2-NE 3.34Å; E1446-R1449 PolarHBondContact OE2-NE 3.26Å; E1446-R1449 IonicContact OE2-NH1 3.9Å; E1446-R1449 PolarHBondContact OE2-NH1 3.05Å; E1446-R1449 IonicContact OE2-NH2 2.68Å; E1446-R1449 PolarHBondContact OE2-NH2 3.22Å; A1447-R1449 VanDerWaalsContact C-N 3.33Å; A1447-R1449 PolarHBondContact O-N 3.24Å; R1449-Q1452 VanDerWaalsContact CG-NE2 3.32Å; R1449-Q1452 WeakPolarHBondContact O-CG 3.4Å; R1449-Q1452 PolarHBondContact O-NE2 3.26Å; R1449-Q1452 VanDerWaalsContact O-NE2 3.11Å
1450L88.8Confident84.8Confident101.2 Ų101.266.9 Ų66.953%0.5332%0.317SS..Hα-helixtrans-76.9-33.9174.8-70.4170.4000112.4E1446 A1447 Y1448E1446-L1450 VanDerWaalsContact O-CG 3.32Å; E1446-L1450 WeakPolarHBondContact O-CG 3.31Å; E1446-L1450 PolarHBondContact O-N 3.31Å; A1447-L1450 PolarHBondContact O-N 3.32Å; Y1448-L1450 VanDerWaalsContact C-N 3.28Å; Y1448-L1450 PolarHBondContact O-N 3.16Å
1451L89.2Confident84.2Confident33 Ų3368.5 Ų68.517%0.17331%0.312CS..Hα-helixtrans-97.1-8.7-174.3-65.7170.1000114.5A1447 Y1448 S1453 S1503 G1506 R1507 L1510A1447-L1451 WeakPolarHBondContact O-CB 3.36Å; A1447-L1451 WeakPolarHBondContact O-CG 3.38Å; A1447-L1451 PolarHBondContact O-N 3.26Å; A1447-L1451 VanDerWaalsContact O-N 3.07Å; Y1448-L1451 CarbonylContact O-C 3.46Å; Y1448-L1451 PolarHBondContact O-N 3.16Å; Y1448-L1451 VanDerWaalsContact O-N 3.16Å; L1451-S1453 PolarHBondContact O-N 3.04Å; L1451-S1453 VanDerWaalsContact O-N 3.1Å; L1451-S1503 PolarHBondContact O-OG 3.24Å; L1451-S1503 VanDerWaalsContact O-OG 3.11Å; L1451-G1506 WeakPolarHBondContact CD1-O 3.27Å; L1451-R1507 HydrophobicContact CB-CB 4.26Å; L1451-L1510 HydrophobicContact CD1-CB 4.08Å; L1451-L1510 HydrophobicContact CD1-CD1 4.1Å; L1451-L1510 HydrophobicContact CD1-CD2 4.12Å; L1451-L1510 HydrophobicContact CD1-CG 4.49Å
1452Q85.3Confident83.2Confident41 Ų4167.1 Ų67.119%0.19230%0.304CS..  trans-61.5129.1178.683-176.1-15.600112.2H1422 Y1448 R1449 F1454 S1455H1422-Q1452 PolarHBondContact CE1-NE2 3.06Å; H1422-Q1452 PolarHBondContact CE1-OE1 2.99Å; H1422-Q1452 VanDerWaalsContact CE1-OE1 3.28Å; H1422-Q1452 PolarHBondContact NE2-NE2 3.02Å; Y1448-Q1452 HydrophobicContact CD1-CB 4.31Å; Y1448-Q1452 HydrophobicContact CE1-CB 4.2Å; Y1448-Q1452 WeakPolarHBondContact O-CB 3.42Å; Y1448-Q1452 PolarHBondContact O-N 3.08Å; R1449-Q1452 VanDerWaalsContact CG-NE2 3.32Å; R1449-Q1452 WeakPolarHBondContact O-CG 3.4Å; R1449-Q1452 PolarHBondContact O-NE2 3.26Å; R1449-Q1452 VanDerWaalsContact O-NE2 3.11Å; Q1452-F1454 HydrophobicContact CG-CD1 4.07Å; Q1452-F1454 HydrophobicContact CG-CD2 4.42Å; Q1452-F1454 HydrophobicContact CG-CE1 3.77Å; Q1452-F1454 HydrophobicContact CG-CE2 4.16Å; Q1452-F1454 HydrophobicContact CG-CG 4.38Å; Q1452-F1454 HydrophobicContact CG-CZ 3.82Å; Q1452-F1454 VanDerWaalsContact NE2-CZ 3.26Å; Q1452-S1455 VanDerWaalsContact CD-OG 3.28Å; Q1452-S1455 WeakPolarHBondContact CG-OG 3.45Å; Q1452-S1455 PolarHBondContact NE2-OG 3.21Å
1453S83.5Confident81.9Confident0.6 Ų0.667.4 Ų67.40%0.00431%0.306CS..  trans-111-0.8179.261.20000114L1451 R1507 I1529 C1530L1451-S1453 PolarHBondContact O-N 3.04Å; L1451-S1453 VanDerWaalsContact O-N 3.1Å; S1453-R1507 PolarHBondContact OG-NH1 3.16Å; S1453-I1529 CarbonylContact O-C 3.54Å; S1453-I1529 WeakPolarHBondContact O-CA 3.41Å; S1453-C1530 PolarHBondContact O-N 3.27Å
1454F80.6Confident80.2Confident23.8 Ų23.866.5 Ų66.510%0.10432%0.318CS..SBendtrans-101.4-13.4-172.6-24.2-61.4000113.7S1421 H1422 Y1448 Q1452 R1507 P1527 P1528 C1530S1421-F1454 WeakPolarHBondContact O-CD2 3.35Å; S1421-F1454 WeakPolarHBondContact O-CZ 3.32Å; H1422-F1454 AromaticContact CD2-CE2 3.99Å; H1422-F1454 AromaticContact CE1-CZ 3.81Å; H1422-F1454 AromaticContact ND1-CZ 3.97Å; H1422-F1454 AromaticContact NE2-CE2 3.69Å; H1422-F1454 AromaticContact NE2-CZ 3.93Å; Y1448-F1454 HydrophobicContact CE1-CZ 4.37Å; Y1448-F1454 WeakPolarHBondContact OH-CE1 3.45Å; Y1448-F1454 WeakPolarHBondContact OH-CZ 3.22Å; Q1452-F1454 HydrophobicContact CG-CD1 4.07Å; Q1452-F1454 HydrophobicContact CG-CD2 4.42Å; Q1452-F1454 HydrophobicContact CG-CE1 3.77Å; Q1452-F1454 HydrophobicContact CG-CE2 4.16Å; Q1452-F1454 HydrophobicContact CG-CG 4.38Å; Q1452-F1454 HydrophobicContact CG-CZ 3.82Å; Q1452-F1454 VanDerWaalsContact NE2-CZ 3.26Å; F1454-R1507 VanDerWaalsContact CE1-NH1 3.28Å; F1454-R1507 VanDerWaalsContact CZ-CZ 3.47Å; F1454-R1507 VanDerWaalsContact CZ-NH1 3.28Å; F1454-P1527 HydrophobicContact CB-CB 4.39Å; F1454-P1527 HydrophobicContact CD1-CB 3.81Å; F1454-P1527 HydrophobicContact CD1-CG 3.8Å; F1454-P1527 HydrophobicContact CD2-CB 4.47Å; F1454-P1527 HydrophobicContact CD2-CG 4.31Å; F1454-P1527 HydrophobicContact CE1-CB 3.69Å; F1454-P1527 HydrophobicContact CE1-CG 3.29Å; F1454-P1527 WeakPolarHBondContact CE1-O 3.37Å; F1454-P1527 HydrophobicContact CE2-CB 4.44Å; F1454-P1527 HydrophobicContact CE2-CG 3.85Å; F1454-P1527 HydrophobicContact CG-CB 4.07Å; F1454-P1527 HydrophobicContact CG-CG 4.28Å; F1454-P1527 HydrophobicContact CZ-CB 4.11Å; F1454-P1527 HydrophobicContact CZ-CG 3.3Å; F1454-P1527 VanDerWaalsContact CZ-CG 3.41Å; F1454-P1528 WeakPolarHBondContact CB-O 3.49Å; F1454-C1530 VanDerWaalsContact C-CB 3.48Å; F1454-C1530 WeakPolarHBondContact O-CB 3.35Å
1455S81Confident78.3Confident40.6 Ų40.673 Ų7328%0.28435%0.348SS..SBendtrans-91.8146.7178.665.50000111.4Q1452 I1457Q1452-S1455 VanDerWaalsContact CD-OG 3.28Å; Q1452-S1455 WeakPolarHBondContact CG-OG 3.45Å; Q1452-S1455 PolarHBondContact NE2-OG 3.21Å; S1455-I1457 PolarHBondContact O-N 3.05Å
1456H82.3Confident76.3Confident48.6 Ų48.671.6 Ų71.623%0.22535%0.35CS..PPolyproline II helixtrans-56134.9174.2-63.2-124.6000112.1R1458 C1530 R1532 R1534 L1545 S1596H1456-R1458 PolarHBondContact O-N 3.3Å; H1456-C1530 VanDerWaalsContact CA-SG 3.59Å; H1456-C1530 VanDerWaalsContact CD2-SG 3.56Å; H1456-R1532 CarbonylContact C-O 3.55Å; H1456-R1532 VanDerWaalsContact CA-O 3.28Å; H1456-R1532 WeakPolarHBondContact CA-O 3.33Å; H1456-R1532 WeakPolarHBondContact CB-O 3.43Å; H1456-R1532 VanDerWaalsContact ND1-CB 3.29Å; H1456-R1532 WeakPolarHBondContact ND1-CB 3.3Å; H1456-R1534 HydrophobicContact CB-CB 4.16Å; H1456-R1534 HydrophobicContact CB-CG 3.79Å; H1456-R1534 PolarHBondContact CD2-NE 3.26Å; H1456-R1534 PolarHBondContact CD2-NH2 3.21Å; H1456-R1534 PolarHBondContact CE1-NH2 2.89Å; H1456-R1534 VanDerWaalsContact CG-NE 3.27Å; H1456-R1534 PolarHBondContact ND1-NE 3.43Å; H1456-R1534 VanDerWaalsContact ND1-NE 3.2Å; H1456-R1534 PolarHBondContact ND1-NH2 2.95Å; H1456-R1534 PolarHBondContact NE2-NE 2.94Å; H1456-R1534 PolarHBondContact NE2-NH2 3.15Å; H1456-R1534 VanDerWaalsContact NE2-NH2 3.14Å; H1456-L1545 VanDerWaalsContact CE1-CD2 3.43Å; H1456-L1545 WeakPolarHBondContact CE1-CD2 3.49Å; H1456-L1545 VanDerWaalsContact ND1-CD2 3.28Å; H1456-L1545 WeakPolarHBondContact ND1-CD2 3.42Å; H1456-S1596 WeakPolarHBondContact NE2-CB 3.46Å
1457I83.5Confident74Confident14 Ų1473.5 Ų73.57%0.07237%0.369CS..EExtended strand (participates in β ladder)trans-67.6126.3176.7-62170.1000108.7S1455 L1459 L1493 A1496 V1500 R1532 G1533 R1534S1455-I1457 PolarHBondContact O-N 3.05Å; I1457-L1459 HydrophobicContact CG2-CD2 4.37Å; I1457-L1459 PolarHBondContact O-N 3.07Å; I1457-L1493 HydrophobicContact CB-CD1 4.12Å; I1457-L1493 HydrophobicContact CD1-CD1 3.83Å; I1457-L1493 HydrophobicContact CG1-CD1 4.45Å; I1457-L1493 HydrophobicContact CG2-CD1 4.26Å; I1457-A1496 HydrophobicContact CD1-CB 4.21Å; I1457-A1496 HydrophobicContact CG2-CB 3.64Å; I1457-V1500 HydrophobicContact CD1-CB 4.44Å; I1457-V1500 HydrophobicContact CD1-CG2 3.85Å; I1457-V1500 HydrophobicContact CG1-CG2 3.99Å; I1457-R1532 PolarHBondContact N-O 3.32Å; I1457-G1533 CarbonylContact O-C 3.54Å; I1457-G1533 VanDerWaalsContact O-C 3.29Å; I1457-G1533 VanDerWaalsContact O-CA 3.27Å; I1457-G1533 WeakPolarHBondContact O-CA 3.41Å; I1457-R1534 PolarHBondContact O-N 3.15Å
1458R82Confident71.6Confident201.2 Ų201.278.3 Ų78.376%0.75940%0.396SS*.EExtended strand (participates in β ladder)trans-82.7122.9173.7-63.2-179.6-171173.93.9109.2H1456 R1534 E2233 N2234H1456-R1458 PolarHBondContact O-N 3.3Å; R1458-R1534 WeakPolarHBondContact CA-O 3.36Å; R1458-R1534 HydrophobicContact CG-CB 4.44Å; R1458-E2233 WeakPolarHBondContact CB-OE1 3.31Å; R1458-E2233 WeakPolarHBondContact CB-OE2 3.49Å; R1458-E2233 VanDerWaalsContact NH1-C 3.35Å; R1458-E2233 PolarHBondContact NH1-O 3.4Å; R1458-N2234 PolarHBondContact NH1-OD1 3.36Å; R1458-N2234 PolarHBondContact NH2-OD1 3.01Å
1459L80.1Confident68.9Low16 Ų1683 Ų838%0.08443%0.429CS..PPolyproline II helixtrans-92.2147.5178.7-64.9174.9000110.4I1457 F1489 H1492 L1493 R1534 A1535 V1546I1457-L1459 HydrophobicContact CG2-CD2 4.37Å; I1457-L1459 PolarHBondContact O-N 3.07Å; L1459-F1489 HydrophobicContact CB-CD1 4.31Å; L1459-F1489 HydrophobicContact CD1-CB 4.21Å; L1459-F1489 HydrophobicContact CD1-CD1 4.18Å; L1459-F1489 HydrophobicContact CD1-CG 4.42Å; L1459-H1492 HydrophobicContact CD2-CB 4.04Å; L1459-L1493 HydrophobicContact CD1-CB 4.43Å; L1459-L1493 HydrophobicContact CD2-CB 4.1Å; L1459-L1493 HydrophobicContact CD2-CD1 4.37Å; L1459-R1534 PolarHBondContact N-O 3.21Å; L1459-A1535 HydrophobicContact CB-CB 4.25Å; L1459-A1535 HydrophobicContact CD1-CB 4.27Å; L1459-V1546 HydrophobicContact CD1-CB 3.89Å; L1459-V1546 HydrophobicContact CD1-CG1 4.28Å; L1459-V1546 HydrophobicContact CD1-CG2 3.98Å
1460P75Confident66.5Low62.2 Ų62.283.7 Ų83.740%0.40445%0.446SS..PPolyproline II helixtrans-62.8151.6178.227.4-34.8000111.1L1462P1460-L1462 PolarHBondContact O-N 3.06Å
1461R68.3Low64Low185.2 Ų185.283.6 Ų83.670%0.69945%0.454SS*.PPolyproline II helixtrans-72.4124.4168.6-69.5179.7177.9162-1.8108.4I1536R1461-I1536 HydrophobicContact CG-CB 4.44Å
1462L65.5Low61.5Low29.4 Ų29.487.7 Ų87.715%0.15448%0.483CS..PPolyproline II helixtrans-88.3121.5169.4-61.6177.3000108P1460 T1485 R1488 F1489 P1538P1460-L1462 PolarHBondContact O-N 3.06Å; L1462-T1485 HydrophobicContact CD1-CG2 4.35Å; L1462-R1488 HydrophobicContact CD1-CB 3.78Å; L1462-R1488 HydrophobicContact CD1-CG 4.44Å; L1462-R1488 HydrophobicContact CD2-CB 4.49Å; L1462-F1489 HydrophobicContact CB-CE1 4.49Å; L1462-F1489 HydrophobicContact CB-CZ 4.37Å; L1462-F1489 HydrophobicContact CD1-CD1 4.01Å; L1462-F1489 HydrophobicContact CD1-CD2 4.35Å; L1462-F1489 HydrophobicContact CD1-CE1 3.7Å; L1462-F1489 HydrophobicContact CD1-CE2 4.1Å; L1462-F1489 HydrophobicContact CD1-CG 4.29Å; L1462-F1489 HydrophobicContact CD1-CZ 3.74Å; L1462-F1489 HydrophobicContact CG-CD1 4.37Å; L1462-F1489 HydrophobicContact CG-CE1 3.77Å; L1462-F1489 HydrophobicContact CG-CZ 3.99Å; L1462-P1538 WeakPolarHBondContact O-CB 3.35Å
1463N57.8Low59.1Low127 Ų12792.4 Ų92.468%0.67951%0.509SS*.PPolyproline II helixtrans-71.8143.1173-68.9-1.3000109.4E1465N1463-E1465 VanDerWaalsContact C-N 3.26Å; N1463-E1465 PolarHBondContact O-N 3.08Å
1464S54.1Low56.9Low99.6 Ų99.699.8 Ų99.870%0.69755%0.548SS*.SBendtrans-838.5178.852.70000114.1D1466S1464-D1466 VanDerWaalsContact C-N 3.32Å; S1464-D1466 PolarHBondContact O-N 3.26Å; S1464-D1466 VanDerWaalsContact O-N 3.15Å
1465E46.7Very low54.8Low164 Ų164103.5 Ų103.577%0.76658%0.583SS**  trans-95.439.4-170.3-62.2-172.416700113.4N1463 P1467N1463-E1465 VanDerWaalsContact C-N 3.26Å; N1463-E1465 PolarHBondContact O-N 3.08Å; E1465-P1467 VanDerWaalsContact O-CD 3.27Å; E1465-P1467 WeakPolarHBondContact O-CD 3.38Å; E1465-P1467 VanDerWaalsContact O-N 3.14Å
1466D44.2Very low53.1Low97.2 Ų97.2106.3 Ų106.352%0.5260%0.601SS.*  trans-79.7111.5162.8-79.4-30.6000108.3S1464 V1468 R1488S1464-D1466 VanDerWaalsContact C-N 3.32Å; S1464-D1466 PolarHBondContact O-N 3.26Å; S1464-D1466 VanDerWaalsContact O-N 3.15Å; D1466-V1468 PolarHBondContact O-N 2.99Å; D1466-V1468 VanDerWaalsContact O-N 3.14Å; D1466-R1488 IonicContact OD1-NH2 3.86Å; D1466-R1488 IonicContact OD2-CZ 3Å; D1466-R1488 VanDerWaalsContact OD2-CZ 3.23Å; D1466-R1488 IonicContact OD2-NH1 2.89Å; D1466-R1488 PolarHBondContact OD2-NH1 3.09Å; D1466-R1488 IonicContact OD2-NH2 2.84Å; D1466-R1488 PolarHBondContact OD2-NH2 2.82Å
1467P40.2Very low51.4Low117.8 Ų117.8106.1 Ų106.177%0.76561%0.612SS**  trans-81.988.2-165.932-35.3000112.5E1465 S1469E1465-P1467 VanDerWaalsContact O-CD 3.27Å; E1465-P1467 WeakPolarHBondContact O-CD 3.38Å; E1465-P1467 VanDerWaalsContact O-N 3.14Å; P1467-S1469 VanDerWaalsContact C-N 3.26Å; P1467-S1469 PolarHBondContact O-N 3.08Å; P1467-S1469 VanDerWaalsContact O-N 3.11Å
1468V40.2Very low50Low124 Ų124109.4 Ų109.475%0.75264%0.636SS**  trans-89.682.3165.1-172.60000109.5D1466 T1470D1466-V1468 PolarHBondContact O-N 2.99Å; D1466-V1468 VanDerWaalsContact O-N 3.14Å; V1468-T1470 VanDerWaalsContact C-N 3.31Å; V1468-T1470 PolarHBondContact O-N 3.17Å; V1468-T1470 VanDerWaalsContact O-N 3.1Å
1469S32.7Very low48.8Very low104 Ų104104.4 Ų104.473%0.72763%0.625SS**  trans-62.994.1170.357.30000113.3P1467P1467-S1469 VanDerWaalsContact C-N 3.26Å; P1467-S1469 PolarHBondContact O-N 3.08Å; P1467-S1469 VanDerWaalsContact O-N 3.11Å
1470T35.4Very low47.5Very low127.4 Ų127.4109.4 Ų109.478%0.78265%0.65SS**  trans-155.495.2161.446.60000115.5V1468V1468-T1470 VanDerWaalsContact C-N 3.31Å; V1468-T1470 PolarHBondContact O-N 3.17Å; V1468-T1470 VanDerWaalsContact O-N 3.1Å
1471S36.7Very low46.7Very low99.4 Ų99.4111 Ų11170%0.69566%0.656SS**  trans97.5121.1143.6-1630000116.3N1473S1471-N1473 VanDerWaalsContact C-N 3.34Å; S1471-N1473 PolarHBondContact O-N 3.12Å; S1471-N1473 VanDerWaalsContact O-N 3.08Å
1472P36.2Very low46.4Very low119.6 Ų119.6104.6 Ų104.678%0.77764%0.643SS**SBendtrans-8185.4168.934-31.2000111
1473N35.8Very low46.3Very low138 Ų138110.8 Ų110.874%0.73866%0.664SS**  trans-170.384.7174.7-83.3-22.6000112.4S1471S1471-N1473 VanDerWaalsContact C-N 3.34Å; S1471-N1473 PolarHBondContact O-N 3.12Å; S1471-N1473 VanDerWaalsContact O-N 3.08Å
1474N36.7Very low46.5Very low155.8 Ų155.8107.9 Ų107.983%0.83365%0.648SS**  trans145.6119.1163.6-74.9-29.7000113P1476N1474-P1476 VanDerWaalsContact C-CD 3.48Å; N1474-P1476 WeakPolarHBondContact O-CD 3.44Å; N1474-P1476 VanDerWaalsContact O-N 3.09Å
1475A36.7Very low47.2Very low102 Ų102105.1 Ų105.184%0.84363%0.627SS**SBendtrans-81.1125.5171.100000111.7G1477A1475-G1477 PolarHBondContact O-N 3.33Å
1476P44.1Very low48.3Very low99.8 Ų99.8101.2 Ų101.265%0.64861%0.609SS**  trans-124.535.2133.536.8-26000113.7N1474 S1478N1474-P1476 VanDerWaalsContact C-CD 3.48Å; N1474-P1476 WeakPolarHBondContact O-CD 3.44Å; N1474-P1476 VanDerWaalsContact O-N 3.09Å; P1476-S1478 VanDerWaalsContact C-N 3.31Å; P1476-S1478 PolarHBondContact O-N 3.29Å
1477G47Very low49.4Very low43.8 Ų43.898.5 Ų98.545%0.45260%0.6SS.*Hα-helixtrans-75.1-20.2-175.700000116A1475 D1479 L1480 N1481A1475-G1477 PolarHBondContact O-N 3.33Å; G1477-D1479 PolarHBondContact O-N 3.15Å; G1477-L1480 PolarHBondContact O-N 3.41Å; G1477-N1481 PolarHBondContact O-N 3.08Å
1478S55Low50.9Low84.6 Ų84.696.6 Ų96.659%0.59258%0.577SS**Hα-helixtrans-62.5-44.5-179.491.30000112.6P1476 L1480 N1481 A1482P1476-S1478 VanDerWaalsContact C-N 3.31Å; P1476-S1478 PolarHBondContact O-N 3.29Å; S1478-L1480 VanDerWaalsContact C-N 3.31Å; S1478-L1480 PolarHBondContact O-N 3.27Å; S1478-N1481 PolarHBondContact O-N 3.1Å; S1478-A1482 WeakPolarHBondContact O-CB 3.3Å; S1478-A1482 PolarHBondContact O-N 3Å
1479D55.4Low52.6Low96.4 Ų96.491.4 Ų91.452%0.51655%0.545SS..Hα-helixtrans-71.9-33-169.8-64.810.2000111.8G1477 A1482 R1483G1477-D1479 PolarHBondContact O-N 3.15Å; D1479-A1482 PolarHBondContact O-N 3.31Å; D1479-R1483 WeakPolarHBondContact O-CB 3.44Å; D1479-R1483 WeakPolarHBondContact O-CD 3.38Å; D1479-R1483 VanDerWaalsContact O-CG 3.29Å; D1479-R1483 WeakPolarHBondContact O-CG 3.35Å; D1479-R1483 PolarHBondContact O-N 3.17Å; D1479-R1483 VanDerWaalsContact O-N 3.08Å
1480L54.5Low54.5Low119.2 Ų119.288.8 Ų88.862%0.62452%0.521SS*.Hα-helixtrans-66.3-44.9174.9-167.1100.5000110.9G1477 S1478 A1482 R1483 L1484G1477-L1480 PolarHBondContact O-N 3.41Å; S1478-L1480 VanDerWaalsContact C-N 3.31Å; S1478-L1480 PolarHBondContact O-N 3.27Å; L1480-A1482 VanDerWaalsContact C-N 3.34Å; L1480-A1482 PolarHBondContact O-N 3.2Å; L1480-R1483 PolarHBondContact O-N 3.09Å; L1480-L1484 VanDerWaalsContact O-CB 3.3Å; L1480-L1484 WeakPolarHBondContact O-CB 3.43Å; L1480-L1484 PolarHBondContact O-N 3.15Å
1481N57.9Low56.2Low97.4 Ų97.486 Ų8652%0.52150%0.5SS..Hα-helixtrans-67.1-38.9177.6-72.4-10.1000111.6G1477 S1478 L1484 T1485G1477-N1481 PolarHBondContact O-N 3.08Å; S1478-N1481 PolarHBondContact O-N 3.1Å; N1481-L1484 PolarHBondContact O-N 3.31Å; N1481-T1485 WeakPolarHBondContact O-CG2 3.3Å; N1481-T1485 PolarHBondContact O-N 3.24Å; N1481-T1485 PolarHBondContact O-OG1 3.35Å
1482A62.6Low58.1Low51.2 Ų51.284.4 Ų84.442%0.42348%0.481SS..Hα-helixtrans-59.1-52.8173.300000111.4S1478 D1479 L1480 L1484 T1485 E1486S1478-A1482 WeakPolarHBondContact O-CB 3.3Å; S1478-A1482 PolarHBondContact O-N 3Å; D1479-A1482 PolarHBondContact O-N 3.31Å; L1480-A1482 VanDerWaalsContact C-N 3.34Å; L1480-A1482 PolarHBondContact O-N 3.2Å; A1482-L1484 VanDerWaalsContact C-N 3.3Å; A1482-L1484 PolarHBondContact O-N 3.2Å; A1482-T1485 WeakPolarHBondContact CA-OG1 3.38Å; A1482-T1485 PolarHBondContact O-N 3.09Å; A1482-T1485 VanDerWaalsContact O-N 3.1Å; A1482-T1485 PolarHBondContact O-OG1 3.19Å; A1482-E1486 WeakPolarHBondContact O-CB 3.33Å; A1482-E1486 PolarHBondContact O-N 3.11Å
1483R61.5Low60.1Low159.2 Ų159.278.7 Ų78.760%0.60144%0.444SS*.Hα-helixtrans-60-36.6177-71172.5-173.9-152.41.1112.9D1479 L1480 E1486 A1487D1479-R1483 WeakPolarHBondContact O-CB 3.44Å; D1479-R1483 WeakPolarHBondContact O-CD 3.38Å; D1479-R1483 VanDerWaalsContact O-CG 3.29Å; D1479-R1483 WeakPolarHBondContact O-CG 3.35Å; D1479-R1483 PolarHBondContact O-N 3.17Å; D1479-R1483 VanDerWaalsContact O-N 3.08Å; L1480-R1483 PolarHBondContact O-N 3.09Å; R1483-E1486 PolarHBondContact O-N 3.16Å; R1483-A1487 WeakPolarHBondContact O-CB 3.31Å; R1483-A1487 PolarHBondContact O-N 3.16Å
1484L63.7Low62Low66.2 Ų66.273 Ų7335%0.34742%0.416SS..Hα-helixtrans-69.2-38.9177-165.385.3000111.8L1480 N1481 A1482 A1487 R1488L1480-L1484 VanDerWaalsContact O-CB 3.3Å; L1480-L1484 WeakPolarHBondContact O-CB 3.43Å; L1480-L1484 PolarHBondContact O-N 3.15Å; N1481-L1484 PolarHBondContact O-N 3.31Å; A1482-L1484 VanDerWaalsContact C-N 3.3Å; A1482-L1484 PolarHBondContact O-N 3.2Å; L1484-A1487 PolarHBondContact O-N 3.46Å; L1484-R1488 WeakPolarHBondContact O-CB 3.35Å; L1484-R1488 VanDerWaalsContact O-CG 3.28Å; L1484-R1488 WeakPolarHBondContact O-CG 3.32Å; L1484-R1488 PolarHBondContact O-N 3.21Å; L1484-R1488 VanDerWaalsContact O-N 3.09Å
1485T68.9Low63.9Low39.8 Ų39.867.8 Ų67.824%0.24440%0.395CS..Hα-helixtrans-69.5-37.717456.30000112.4L1462 N1481 A1482 R1488 F1489 P1538L1462-T1485 HydrophobicContact CD1-CG2 4.35Å; N1481-T1485 WeakPolarHBondContact O-CG2 3.3Å; N1481-T1485 PolarHBondContact O-N 3.24Å; N1481-T1485 PolarHBondContact O-OG1 3.35Å; A1482-T1485 WeakPolarHBondContact CA-OG1 3.38Å; A1482-T1485 PolarHBondContact O-N 3.09Å; A1482-T1485 VanDerWaalsContact O-N 3.1Å; A1482-T1485 PolarHBondContact O-OG1 3.19Å; T1485-R1488 PolarHBondContact O-N 3.09Å; T1485-F1489 WeakPolarHBondContact O-CD2 3.34Å; T1485-F1489 WeakPolarHBondContact O-CG 3.3Å; T1485-F1489 PolarHBondContact O-N 3.14Å; T1485-P1538 HydrophobicContact CG2-CG 4.47Å
1486E69.2Low66Low83 Ų8363.6 Ų63.639%0.38836%0.36SS..Hα-helixtrans-59.4-52.9173.6-173.3173.3-161.100111.2A1482 R1483 R1488 F1489 E1490 R1550A1482-E1486 WeakPolarHBondContact O-CB 3.33Å; A1482-E1486 PolarHBondContact O-N 3.11Å; R1483-E1486 PolarHBondContact O-N 3.16Å; E1486-R1488 VanDerWaalsContact C-N 3.3Å; E1486-R1488 PolarHBondContact O-N 3.25Å; E1486-F1489 WeakPolarHBondContact O-CA 3.47Å; E1486-F1489 WeakPolarHBondContact O-CB 3.31Å; E1486-F1489 PolarHBondContact O-N 2.97Å; E1486-F1489 VanDerWaalsContact O-N 3.12Å; E1486-E1490 WeakPolarHBondContact O-CG 3.36Å; E1486-E1490 PolarHBondContact O-N 3.07Å; E1486-R1550 IonicContact OE1-CZ 2.98Å; E1486-R1550 VanDerWaalsContact OE1-CZ 3.23Å; E1486-R1550 IonicContact OE1-NE 3.13Å; E1486-R1550 PolarHBondContact OE1-NE 3.09Å; E1486-R1550 IonicContact OE1-NH2 2.72Å; E1486-R1550 PolarHBondContact OE1-NH2 3.14Å; E1486-R1550 IonicContact OE2-NH2 2.79Å
1487A67.7Low67.7Low39.4 Ų39.459 Ų5933%0.32633%0.331SS..Hα-helixtrans-60.5-36.9176.300000113.1R1483 L1484 E1490 M1491R1483-A1487 WeakPolarHBondContact O-CB 3.31Å; R1483-A1487 PolarHBondContact O-N 3.16Å; L1484-A1487 PolarHBondContact O-N 3.46Å; A1487-E1490 PolarHBondContact O-N 3.23Å; A1487-M1491 WeakPolarHBondContact O-CB 3.42Å; A1487-M1491 WeakPolarHBondContact O-CG 3.28Å; A1487-M1491 PolarHBondContact O-N 3.23Å
1488R70.6Confident69.3Low77.4 Ų77.459.9 Ų59.929%0.29233%0.325SS..Hα-helixtrans-62.7-42.6172.1-76.6175.8-178.7-179.42.3111.3L1462 D1466 L1484 T1485 E1486 M1491 H1492L1462-R1488 HydrophobicContact CD1-CB 3.78Å; L1462-R1488 HydrophobicContact CD1-CG 4.44Å; L1462-R1488 HydrophobicContact CD2-CB 4.49Å; D1466-R1488 IonicContact OD1-NH2 3.86Å; D1466-R1488 IonicContact OD2-CZ 3Å; D1466-R1488 VanDerWaalsContact OD2-CZ 3.23Å; D1466-R1488 IonicContact OD2-NH1 2.89Å; D1466-R1488 PolarHBondContact OD2-NH1 3.09Å; D1466-R1488 IonicContact OD2-NH2 2.84Å; D1466-R1488 PolarHBondContact OD2-NH2 2.82Å; L1484-R1488 WeakPolarHBondContact O-CB 3.35Å; L1484-R1488 VanDerWaalsContact O-CG 3.28Å; L1484-R1488 WeakPolarHBondContact O-CG 3.32Å; L1484-R1488 PolarHBondContact O-N 3.21Å; L1484-R1488 VanDerWaalsContact O-N 3.09Å; T1485-R1488 PolarHBondContact O-N 3.09Å; E1486-R1488 VanDerWaalsContact C-N 3.3Å; E1486-R1488 PolarHBondContact O-N 3.25Å; R1488-M1491 PolarHBondContact O-N 3.26Å; R1488-H1492 PolarHBondContact O-CD2 2.96Å; R1488-H1492 PolarHBondContact O-N 3.22Å; R1488-H1492 VanDerWaalsContact O-N 3.1Å
1489F75.5Confident70.8Confident16.2 Ų16.263.2 Ų63.27%0.07132%0.324CS..Hα-helixtrans-66.3-41.7176.5-71.7-53.5000112.5L1459 L1462 T1485 E1486 M1491 H1492 L1493 A1535 V1546L1459-F1489 HydrophobicContact CB-CD1 4.31Å; L1459-F1489 HydrophobicContact CD1-CB 4.21Å; L1459-F1489 HydrophobicContact CD1-CD1 4.18Å; L1459-F1489 HydrophobicContact CD1-CG 4.42Å; L1462-F1489 HydrophobicContact CB-CE1 4.49Å; L1462-F1489 HydrophobicContact CB-CZ 4.37Å; L1462-F1489 HydrophobicContact CD1-CD1 4.01Å; L1462-F1489 HydrophobicContact CD1-CD2 4.35Å; L1462-F1489 HydrophobicContact CD1-CE1 3.7Å; L1462-F1489 HydrophobicContact CD1-CE2 4.1Å; L1462-F1489 HydrophobicContact CD1-CG 4.29Å; L1462-F1489 HydrophobicContact CD1-CZ 3.74Å; L1462-F1489 HydrophobicContact CG-CD1 4.37Å; L1462-F1489 HydrophobicContact CG-CE1 3.77Å; L1462-F1489 HydrophobicContact CG-CZ 3.99Å; T1485-F1489 WeakPolarHBondContact O-CD2 3.34Å; T1485-F1489 WeakPolarHBondContact O-CG 3.3Å; T1485-F1489 PolarHBondContact O-N 3.14Å; E1486-F1489 WeakPolarHBondContact O-CA 3.47Å; E1486-F1489 WeakPolarHBondContact O-CB 3.31Å; E1486-F1489 PolarHBondContact O-N 2.97Å; E1486-F1489 VanDerWaalsContact O-N 3.12Å; F1489-M1491 VanDerWaalsContact C-N 3.34Å; F1489-M1491 PolarHBondContact O-N 3.38Å; F1489-H1492 PolarHBondContact O-N 3.08Å; F1489-L1493 VanDerWaalsContact O-CB 3.28Å; F1489-L1493 WeakPolarHBondContact O-CB 3.39Å; F1489-L1493 PolarHBondContact O-N 3.19Å; F1489-A1535 HydrophobicContact CD1-CB 4.1Å; F1489-A1535 HydrophobicContact CE1-CB 3.84Å; F1489-A1535 HydrophobicContact CE2-CB 4.41Å; F1489-A1535 HydrophobicContact CG-CB 4.38Å; F1489-A1535 HydrophobicContact CZ-CB 4.04Å; F1489-V1546 HydrophobicContact CB-CG1 4.1Å; F1489-V1546 HydrophobicContact CB-CG2 4.2Å; F1489-V1546 HydrophobicContact CD2-CG2 4.34Å; F1489-V1546 HydrophobicContact CG-CG2 4.24Å
1490E72.9Confident72.2Confident49.4 Ų49.459.3 Ų59.323%0.23130%0.304CS..Hα-helixtrans-61.7-43.8175.2-70.6-179.1152.800112E1486 A1487 H1492 L1493 A1494 L1548 R1550E1486-E1490 WeakPolarHBondContact O-CG 3.36Å; E1486-E1490 PolarHBondContact O-N 3.07Å; A1487-E1490 PolarHBondContact O-N 3.23Å; E1490-H1492 VanDerWaalsContact C-N 3.35Å; E1490-H1492 PolarHBondContact O-N 3.17Å; E1490-L1493 WeakPolarHBondContact O-CB 3.48Å; E1490-L1493 PolarHBondContact O-N 3.25Å; E1490-L1493 VanDerWaalsContact O-N 3.13Å; E1490-A1494 WeakPolarHBondContact O-CB 3.39Å; E1490-A1494 PolarHBondContact O-N 3.03Å; E1490-L1548 HydrophobicContact CB-CD2 4.24Å; E1490-L1548 HydrophobicContact CG-CD2 4.32Å; E1490-R1550 VanDerWaalsContact CD-CZ 3.43Å; E1490-R1550 IonicContact OE1-CZ 3.37Å; E1490-R1550 IonicContact OE1-NE 2.72Å; E1490-R1550 IonicContact OE1-NH1 3.26Å; E1490-R1550 PolarHBondContact OE1-NH1 2.98Å; E1490-R1550 IonicContact OE1-NH2 3.23Å; E1490-R1550 PolarHBondContact OE1-NH2 2.95Å; E1490-R1550 IonicContact OE2-CZ 2.6Å; E1490-R1550 IonicContact OE2-NH1 2.99Å; E1490-R1550 PolarHBondContact OE2-NH1 2.9Å; E1490-R1550 IonicContact OE2-NH2 2.71Å; E1490-R1550 PolarHBondContact OE2-NH2 2.78Å
1491M72.5Confident73.7Confident68.6 Ų68.655 Ų5534%0.33828%0.279SS..Hα-helixtrans-62.2-43.4176.5-157.8-178134.800111.9A1487 R1488 F1489 L1493 A1494 A1495 L1620A1487-M1491 WeakPolarHBondContact O-CB 3.42Å; A1487-M1491 WeakPolarHBondContact O-CG 3.28Å; A1487-M1491 PolarHBondContact O-N 3.23Å; R1488-M1491 PolarHBondContact O-N 3.26Å; F1489-M1491 VanDerWaalsContact C-N 3.34Å; F1489-M1491 PolarHBondContact O-N 3.38Å; M1491-L1493 VanDerWaalsContact C-N 3.33Å; M1491-L1493 PolarHBondContact O-N 2.88Å; M1491-A1494 PolarHBondContact O-N 3.42Å; M1491-A1495 WeakPolarHBondContact O-CB 3.35Å; M1491-A1495 PolarHBondContact O-N 3.12Å; M1491-A1495 VanDerWaalsContact O-N 3.1Å; M1491-L1620 HydrophobicContact CE-CB 3.86Å; M1491-L1620 HydrophobicContact CE-CD2 3.95Å; M1491-L1620 HydrophobicContact CE-CG 4.38Å
1492H76.3Confident75.1Confident65.2 Ų65.252.8 Ų52.830%0.30227%0.274SS..Hα-helixtrans-64.5-37.9173.6-80.3-57.6000112.6L1459 R1488 F1489 E1490 A1495 A1496L1459-H1492 HydrophobicContact CD2-CB 4.04Å; R1488-H1492 PolarHBondContact O-CD2 2.96Å; R1488-H1492 PolarHBondContact O-N 3.22Å; R1488-H1492 VanDerWaalsContact O-N 3.1Å; F1489-H1492 PolarHBondContact O-N 3.08Å; E1490-H1492 VanDerWaalsContact C-N 3.35Å; E1490-H1492 PolarHBondContact O-N 3.17Å; H1492-A1495 PolarHBondContact O-N 3.19Å; H1492-A1496 VanDerWaalsContact O-CB 3.28Å; H1492-A1496 WeakPolarHBondContact O-CB 3.47Å; H1492-A1496 PolarHBondContact O-N 3.16Å
1493L78.6Confident76.3Confident1 Ų151 Ų511%0.00526%0.259CS..Hα-helixtrans-68.7-41.2178.9-175.854.6000111.7I1457 L1459 F1489 E1490 M1491 A1496 G1497 V1546 L1548I1457-L1493 HydrophobicContact CB-CD1 4.12Å; I1457-L1493 HydrophobicContact CD1-CD1 3.83Å; I1457-L1493 HydrophobicContact CG1-CD1 4.45Å; I1457-L1493 HydrophobicContact CG2-CD1 4.26Å; L1459-L1493 HydrophobicContact CD1-CB 4.43Å; L1459-L1493 HydrophobicContact CD2-CB 4.1Å; L1459-L1493 HydrophobicContact CD2-CD1 4.37Å; F1489-L1493 VanDerWaalsContact O-CB 3.28Å; F1489-L1493 WeakPolarHBondContact O-CB 3.39Å; F1489-L1493 PolarHBondContact O-N 3.19Å; E1490-L1493 WeakPolarHBondContact O-CB 3.48Å; E1490-L1493 PolarHBondContact O-N 3.25Å; E1490-L1493 VanDerWaalsContact O-N 3.13Å; M1491-L1493 VanDerWaalsContact C-N 3.33Å; M1491-L1493 PolarHBondContact O-N 2.88Å; L1493-A1496 PolarHBondContact O-N 3.11Å; L1493-G1497 PolarHBondContact O-N 3.1Å; L1493-V1546 HydrophobicContact CD2-CB 4.27Å; L1493-V1546 HydrophobicContact CD2-CG1 3.98Å; L1493-V1546 VanDerWaalsContact CD2-O 3.24Å; L1493-V1546 WeakPolarHBondContact CD2-O 3.3Å; L1493-L1548 HydrophobicContact CB-CD2 4.19Å; L1493-L1548 HydrophobicContact CD2-CD1 4.29Å; L1493-L1548 HydrophobicContact CD2-CD2 3.97Å; L1493-L1548 HydrophobicContact CD2-CG 3.75Å; L1493-L1548 HydrophobicContact CG-CD1 4.24Å; L1493-L1548 HydrophobicContact CG-CD2 4.07Å; L1493-L1548 HydrophobicContact CG-CG 3.97Å
1494A74.4Confident77.7Confident16.4 Ų16.443.4 Ų43.414%0.13623%0.23CC..Hα-helixtrans-62.7-46.917400000111.8E1490 M1491 A1496 G1497 I1498 L1548 L1605 A1608E1490-A1494 WeakPolarHBondContact O-CB 3.39Å; E1490-A1494 PolarHBondContact O-N 3.03Å; M1491-A1494 PolarHBondContact O-N 3.42Å; A1494-A1496 VanDerWaalsContact C-N 3.31Å; A1494-A1496 PolarHBondContact O-N 3.07Å; A1494-G1497 WeakPolarHBondContact O-CA 3.44Å; A1494-G1497 PolarHBondContact O-N 3.2Å; A1494-G1497 VanDerWaalsContact O-N 3.15Å; A1494-I1498 WeakPolarHBondContact O-CG1 3.46Å; A1494-I1498 PolarHBondContact O-N 3.05Å; A1494-I1498 VanDerWaalsContact O-N 3.08Å; A1494-L1548 HydrophobicContact CB-CD2 4.3Å; A1494-L1605 HydrophobicContact CB-CD1 4.15Å; A1494-A1608 HydrophobicContact CB-CB 4.19Å
1495A77.2Confident79Confident47.2 Ų47.243.5 Ų43.539%0.3923%0.23SC..Hα-helixtrans-62.2-37.8176.300000112.7M1491 H1492 R1499M1491-A1495 WeakPolarHBondContact O-CB 3.35Å; M1491-A1495 PolarHBondContact O-N 3.12Å; M1491-A1495 VanDerWaalsContact O-N 3.1Å; H1492-A1495 PolarHBondContact O-N 3.19Å; A1495-R1499 PolarHBondContact O-N 2.99Å
1496A80.8Confident80.1Confident14.4 Ų14.442.4 Ų42.412%0.11923%0.227CC..Hα-helixtrans-72.7-32174.500000112.8I1457 H1492 L1493 A1494 R1499 V1500I1457-A1496 HydrophobicContact CD1-CB 4.21Å; I1457-A1496 HydrophobicContact CG2-CB 3.64Å; H1492-A1496 VanDerWaalsContact O-CB 3.28Å; H1492-A1496 WeakPolarHBondContact O-CB 3.47Å; H1492-A1496 PolarHBondContact O-N 3.16Å; L1493-A1496 PolarHBondContact O-N 3.11Å; A1494-A1496 VanDerWaalsContact C-N 3.31Å; A1494-A1496 PolarHBondContact O-N 3.07Å; A1496-R1499 WeakPolarHBondContact O-CA 3.43Å; A1496-R1499 WeakPolarHBondContact O-CB 3.33Å; A1496-R1499 PolarHBondContact O-N 3.14Å; A1496-R1499 VanDerWaalsContact O-N 3.11Å; A1496-V1500 WeakPolarHBondContact O-CG2 3.39Å; A1496-V1500 PolarHBondContact O-N 3.15Å; A1496-V1500 VanDerWaalsContact O-N 3.1Å
1497G80.1Confident81.1Confident3.2 Ų3.238.6 Ų38.63%0.03321%0.209CC..Hα-helixtrans-61.1-45176.200000112.6L1493 A1494 R1499 V1500 W1501L1493-G1497 PolarHBondContact O-N 3.1Å; A1494-G1497 WeakPolarHBondContact O-CA 3.44Å; A1494-G1497 PolarHBondContact O-N 3.2Å; A1494-G1497 VanDerWaalsContact O-N 3.15Å; G1497-R1499 VanDerWaalsContact C-N 3.27Å; G1497-R1499 PolarHBondContact O-N 3Å; G1497-V1500 CarbonylContact O-C 3.53Å; G1497-V1500 WeakPolarHBondContact O-CA 3.34Å; G1497-V1500 PolarHBondContact O-N 3.03Å; G1497-V1500 VanDerWaalsContact O-N 3.1Å; G1497-W1501 PolarHBondContact O-N 3.29Å
1498I80.3Confident82.2Confident63.2 Ų63.236.8 Ų36.832%0.32419%0.194SC..Hα-helixtrans-56.4-41.8174.9-64.3169.4000111.1A1494 V1500 W1501 A1502 L1605 A1608A1494-I1498 WeakPolarHBondContact O-CG1 3.46Å; A1494-I1498 PolarHBondContact O-N 3.05Å; A1494-I1498 VanDerWaalsContact O-N 3.08Å; I1498-V1500 VanDerWaalsContact C-N 3.33Å; I1498-V1500 PolarHBondContact O-N 3.21Å; I1498-W1501 HydrophobicContact CB-CE3 4.44Å; I1498-W1501 HydrophobicContact CG1-CE3 4.28Å; I1498-W1501 HydrophobicContact CG1-CZ3 4.02Å; I1498-W1501 PolarHBondContact O-N 3.06Å; I1498-A1502 WeakPolarHBondContact O-CB 3.38Å; I1498-A1502 PolarHBondContact O-N 3.18Å; I1498-L1605 HydrophobicContact CG1-CD1 4.33Å; I1498-A1608 HydrophobicContact CD1-CB 4.37Å
1499R85.2Confident83.2Confident153.6 Ų153.638.8 Ų38.858%0.5821%0.208SC*.Hα-helixtrans-66.5-37.9175.8-175.8-175.354.3-165.6-2.6112.5A1495 A1496 G1497 W1501 A1502 S1503A1495-R1499 PolarHBondContact O-N 2.99Å; A1496-R1499 WeakPolarHBondContact O-CA 3.43Å; A1496-R1499 WeakPolarHBondContact O-CB 3.33Å; A1496-R1499 PolarHBondContact O-N 3.14Å; A1496-R1499 VanDerWaalsContact O-N 3.11Å; G1497-R1499 VanDerWaalsContact C-N 3.27Å; G1497-R1499 PolarHBondContact O-N 3Å; R1499-W1501 VanDerWaalsContact C-N 3.34Å; R1499-A1502 PolarHBondContact O-N 3.23Å; R1499-S1503 WeakPolarHBondContact O-CB 3.34Å; R1499-S1503 PolarHBondContact O-N 3.26Å
1500V85.4Confident83.9Confident14.8 Ų14.839.8 Ų39.89%0.0921%0.214CC..Hα-helixtrans-68.8-37.3177.6169.30000111.4I1457 A1496 G1497 I1498 A1502 S1503 I1529 L1531I1457-V1500 HydrophobicContact CD1-CB 4.44Å; I1457-V1500 HydrophobicContact CD1-CG2 3.85Å; I1457-V1500 HydrophobicContact CG1-CG2 3.99Å; A1496-V1500 WeakPolarHBondContact O-CG2 3.39Å; A1496-V1500 PolarHBondContact O-N 3.15Å; A1496-V1500 VanDerWaalsContact O-N 3.1Å; G1497-V1500 CarbonylContact O-C 3.53Å; G1497-V1500 WeakPolarHBondContact O-CA 3.34Å; G1497-V1500 PolarHBondContact O-N 3.03Å; G1497-V1500 VanDerWaalsContact O-N 3.1Å; I1498-V1500 VanDerWaalsContact C-N 3.33Å; I1498-V1500 PolarHBondContact O-N 3.21Å; V1500-A1502 VanDerWaalsContact C-N 3.32Å; V1500-A1502 PolarHBondContact O-N 3.18Å; V1500-S1503 PolarHBondContact O-N 3.19Å; V1500-S1503 PolarHBondContact O-OG 3.09Å; V1500-I1529 HydrophobicContact CG1-CG2 3.78Å; V1500-L1531 HydrophobicContact CG1-CD2 4.42Å
1501W85.5Confident84.7Confident28.8 Ų28.837.5 Ų37.511%0.10920%0.204CC..Hα-helixtrans-60.1-44.2171.3-71.1-23.6000112.4G1497 I1498 R1499 S1503 V1504 L1531 L1605 A1606 A1608 A1674 P1678G1497-W1501 PolarHBondContact O-N 3.29Å; I1498-W1501 HydrophobicContact CB-CE3 4.44Å; I1498-W1501 HydrophobicContact CG1-CE3 4.28Å; I1498-W1501 HydrophobicContact CG1-CZ3 4.02Å; I1498-W1501 PolarHBondContact O-N 3.06Å; R1499-W1501 VanDerWaalsContact C-N 3.34Å; W1501-S1503 VanDerWaalsContact C-N 3.32Å; W1501-S1503 PolarHBondContact O-N 3.42Å; W1501-V1504 WeakPolarHBondContact O-CB 3.34Å; W1501-V1504 PolarHBondContact O-N 3.11Å; W1501-L1531 HydrophobicContact CZ2-CD1 4.09Å; W1501-L1605 HydrophobicContact CD2-CD2 3.82Å; W1501-L1605 HydrophobicContact CD2-CG 4.47Å; W1501-L1605 HydrophobicContact CE3-CD2 3.91Å; W1501-L1605 HydrophobicContact CE3-CG 4.14Å; W1501-L1605 HydrophobicContact CH2-CB 3.8Å; W1501-L1605 HydrophobicContact CH2-CD2 3.46Å; W1501-L1605 HydrophobicContact CH2-CG 3.82Å; W1501-L1605 HydrophobicContact CZ2-CB 3.96Å; W1501-L1605 HydrophobicContact CZ2-CD1 4.4Å; W1501-L1605 HydrophobicContact CZ2-CD2 3.47Å; W1501-L1605 VanDerWaalsContact CZ2-CD2 3.45Å; W1501-L1605 HydrophobicContact CZ2-CG 3.87Å; W1501-L1605 HydrophobicContact CZ3-CB 4.38Å; W1501-L1605 HydrophobicContact CZ3-CD2 4.09Å; W1501-L1605 HydrophobicContact CZ3-CG 3.73Å; W1501-A1606 HydrophobicContact CH2-CB 4Å; W1501-A1608 HydrophobicContact CH2-CB 4.37Å; W1501-A1674 HydrophobicContact CH2-CB 4.18Å; W1501-A1674 WeakPolarHBondContact CH2-O 3.4Å; W1501-A1674 HydrophobicContact CZ3-CB 4.41Å; W1501-P1678 HydrophobicContact CB-CB 3.91Å; W1501-P1678 HydrophobicContact CB-CG 3.77Å; W1501-P1678 VanDerWaalsContact CD1-CB 3.45Å; W1501-P1678 HydrophobicContact CD2-CB 4.25Å; W1501-P1678 HydrophobicContact CD2-CG 3.79Å; W1501-P1678 HydrophobicContact CE3-CG 4.24Å; W1501-P1678 HydrophobicContact CG-CB 3.68Å; W1501-P1678 HydrophobicContact CG-CG 3.48Å; W1501-P1678 VanDerWaalsContact CG-CG 3.44Å
1502A87.7Confident85.5Confident50.2 Ų50.238.7 Ų38.742%0.41521%0.207SC..Hα-helixtrans-69.5-31.6177.500000113.4I1498 R1499 V1500 V1504 I1505I1498-A1502 WeakPolarHBondContact O-CB 3.38Å; I1498-A1502 PolarHBondContact O-N 3.18Å; R1499-A1502 PolarHBondContact O-N 3.23Å; V1500-A1502 VanDerWaalsContact C-N 3.32Å; V1500-A1502 PolarHBondContact O-N 3.18Å; A1502-V1504 PolarHBondContact O-N 3.19Å; A1502-V1504 VanDerWaalsContact O-N 3.12Å; A1502-I1505 PolarHBondContact O-N 3.43Å
1503S89.1Confident86Confident12.8 Ų12.836.4 Ų36.49%0.0920%0.2CC..Hα-helixtrans-65.3-20-176.877.20000114.1L1451 R1499 V1500 W1501 I1505 G1506 R1507L1451-S1503 PolarHBondContact O-OG 3.24Å; L1451-S1503 VanDerWaalsContact O-OG 3.11Å; R1499-S1503 WeakPolarHBondContact O-CB 3.34Å; R1499-S1503 PolarHBondContact O-N 3.26Å; V1500-S1503 PolarHBondContact O-N 3.19Å; V1500-S1503 PolarHBondContact O-OG 3.09Å; W1501-S1503 VanDerWaalsContact C-N 3.32Å; W1501-S1503 PolarHBondContact O-N 3.42Å; S1503-I1505 VanDerWaalsContact C-N 3.3Å; S1503-I1505 PolarHBondContact O-N 2.96Å; S1503-G1506 PolarHBondContact O-N 3.06Å; S1503-R1507 WeakPolarHBondContact O-CB 3.4Å; S1503-R1507 PolarHBondContact O-N 3.07Å
1504V89.6Confident86.2Confident0 Ų037.3 Ų37.30%021%0.205CC..Hα-helixtrans-61-36.6178.8179.80000112.4W1501 A1502 R1507 G1508 I1529 H1681 N1682 A1685W1501-V1504 WeakPolarHBondContact O-CB 3.34Å; W1501-V1504 PolarHBondContact O-N 3.11Å; A1502-V1504 PolarHBondContact O-N 3.19Å; A1502-V1504 VanDerWaalsContact O-N 3.12Å; V1504-R1507 WeakPolarHBondContact O-CB 3.44Å; V1504-R1507 PolarHBondContact O-N 3.2Å; V1504-G1508 PolarHBondContact O-N 3.21Å; V1504-G1508 VanDerWaalsContact O-N 3.11Å; V1504-I1529 HydrophobicContact CG2-CD1 3.99Å; V1504-I1529 HydrophobicContact CG2-CG1 4.36Å; V1504-H1681 HydrophobicContact CB-CB 4.44Å; V1504-H1681 VanDerWaalsContact CG1-C 3.44Å; V1504-H1681 HydrophobicContact CG1-CB 4.05Å; V1504-H1681 WeakPolarHBondContact CG1-O 3.35Å; V1504-N1682 VanDerWaalsContact CG1-CA 3.43Å; V1504-N1682 HydrophobicContact CG1-CB 4.06Å; V1504-N1682 VanDerWaalsContact CG1-N 3.32Å; V1504-A1685 HydrophobicContact CG1-CB 4.26Å; V1504-A1685 WeakPolarHBondContact O-CB 3.25Å
1505I92.2Very high86.6Confident69.4 Ų69.436.7 Ų36.736%0.35620%0.2SC..Hα-helixtrans-66.6-48.8177.9-59.9173.9000109.9A1502 S1503 R1507 G1508 M1509 H1681A1502-I1505 PolarHBondContact O-N 3.43Å; S1503-I1505 VanDerWaalsContact C-N 3.3Å; S1503-I1505 PolarHBondContact O-N 2.96Å; I1505-R1507 VanDerWaalsContact C-N 3.27Å; I1505-R1507 PolarHBondContact O-N 3.13Å; I1505-G1508 WeakPolarHBondContact O-CA 3.43Å; I1505-G1508 PolarHBondContact O-N 3.27Å; I1505-G1508 VanDerWaalsContact O-N 3.1Å; I1505-M1509 HydrophobicContact CG2-CE 4.24Å; I1505-M1509 WeakPolarHBondContact O-CG 3.22Å; I1505-M1509 PolarHBondContact O-N 3.29Å; I1505-M1509 VanDerWaalsContact O-N 3.09Å; I1505-H1681 HydrophobicContact CG1-CB 4.24Å
1506G91.5Very high86.5Confident16.4 Ų16.435.5 Ų35.517%0.16919%0.187CC..Hα-helixtrans-61.7-34.4175.400000112.9L1451 S1503 G1508 M1509 L1510L1451-G1506 WeakPolarHBondContact CD1-O 3.27Å; S1503-G1506 PolarHBondContact O-N 3.06Å; G1506-G1508 VanDerWaalsContact C-N 3.31Å; G1506-G1508 PolarHBondContact O-N 2.96Å; G1506-M1509 PolarHBondContact O-N 2.99Å; G1506-L1510 PolarHBondContact O-N 3.16Å
1507R90.5Very high85.9Confident2 Ų235.2 Ų35.21%0.00819%0.187CC..Hα-helixtrans-60-44.9171.7-166.9-166.375.4-150.23.6111.2L1451 S1453 F1454 S1503 V1504 I1505 M1509 L1510 T1511 N1682L1451-R1507 HydrophobicContact CB-CB 4.26Å; S1453-R1507 PolarHBondContact OG-NH1 3.16Å; F1454-R1507 VanDerWaalsContact CE1-NH1 3.28Å; F1454-R1507 VanDerWaalsContact CZ-CZ 3.47Å; F1454-R1507 VanDerWaalsContact CZ-NH1 3.28Å; S1503-R1507 WeakPolarHBondContact O-CB 3.4Å; S1503-R1507 PolarHBondContact O-N 3.07Å; V1504-R1507 WeakPolarHBondContact O-CB 3.44Å; V1504-R1507 PolarHBondContact O-N 3.2Å; I1505-R1507 VanDerWaalsContact C-N 3.27Å; I1505-R1507 PolarHBondContact O-N 3.13Å; R1507-M1509 VanDerWaalsContact C-N 3.33Å; R1507-M1509 PolarHBondContact O-N 3.1Å; R1507-L1510 WeakPolarHBondContact O-CB 3.44Å; R1507-L1510 PolarHBondContact O-N 3.22Å; R1507-L1510 VanDerWaalsContact O-N 3.16Å; R1507-T1511 WeakPolarHBondContact O-CB 3.36Å; R1507-T1511 WeakPolarHBondContact O-CG2 3.4Å; R1507-T1511 PolarHBondContact O-N 3.21Å; R1507-T1511 PolarHBondContact O-OG1 3.12Å; R1507-N1682 VanDerWaalsContact CZ-OD1 3.27Å; R1507-N1682 PolarHBondContact NH1-OD1 3.14Å; R1507-N1682 PolarHBondContact NH2-O 3.26Å; R1507-N1682 PolarHBondContact NH2-OD1 3.34Å
1508G90.3Very high84.9Confident2.2 Ų2.239 Ų392%0.02321%0.213CC..Hα-helixtrans-59.5-42.4175.300000113V1504 I1505 G1506 L1510 T1511 F1512 A1685V1504-G1508 PolarHBondContact O-N 3.21Å; V1504-G1508 VanDerWaalsContact O-N 3.11Å; I1505-G1508 WeakPolarHBondContact O-CA 3.43Å; I1505-G1508 PolarHBondContact O-N 3.27Å; I1505-G1508 VanDerWaalsContact O-N 3.1Å; G1506-G1508 VanDerWaalsContact C-N 3.31Å; G1506-G1508 PolarHBondContact O-N 2.96Å; G1508-L1510 VanDerWaalsContact C-N 3.35Å; G1508-L1510 PolarHBondContact O-N 3.41Å; G1508-T1511 PolarHBondContact O-N 3.19Å; G1508-T1511 PolarHBondContact O-OG1 3.49Å; G1508-F1512 WeakPolarHBondContact O-CB 3.48Å; G1508-F1512 PolarHBondContact O-N 3.06Å; G1508-F1512 VanDerWaalsContact O-N 3.11Å; G1508-A1685 VanDerWaalsContact CA-CB 3.47Å
1509M92.5Very high84.3Confident119.2 Ų119.239.8 Ų39.859%0.58721%0.213SC*.Hα-helixtrans-63.9-41174.7-63.3174.18700112.4I1505 G1506 R1507 T1511 F1512I1505-M1509 HydrophobicContact CG2-CE 4.24Å; I1505-M1509 WeakPolarHBondContact O-CG 3.22Å; I1505-M1509 PolarHBondContact O-N 3.29Å; I1505-M1509 VanDerWaalsContact O-N 3.09Å; G1506-M1509 PolarHBondContact O-N 2.99Å; R1507-M1509 VanDerWaalsContact C-N 3.33Å; R1507-M1509 PolarHBondContact O-N 3.1Å; M1509-T1511 VanDerWaalsContact C-N 3.33Å; M1509-T1511 PolarHBondContact O-N 2.94Å; M1509-F1512 PolarHBondContact O-N 3.42Å
1510L90.3Very high83.8Confident37.6 Ų37.633.8 Ų33.820%0.19719%0.194CC..Hα-helixtrans-66.4-35.6177-176.286.3000112.1I1428 A1447 Y1448 L1451 G1506 R1507 G1508 I1514I1428-L1510 HydrophobicContact CD1-CD2 4.1Å; I1428-L1510 VanDerWaalsContact CD1-CD2 3.48Å; I1428-L1510 HydrophobicContact CD1-CG 4.38Å; A1447-L1510 HydrophobicContact CB-CD1 4.16Å; A1447-L1510 HydrophobicContact CB-CD2 4.39Å; Y1448-L1510 HydrophobicContact CD2-CD2 4.34Å; L1451-L1510 HydrophobicContact CD1-CB 4.08Å; L1451-L1510 HydrophobicContact CD1-CD1 4.1Å; L1451-L1510 HydrophobicContact CD1-CD2 4.12Å; L1451-L1510 HydrophobicContact CD1-CG 4.49Å; G1506-L1510 PolarHBondContact O-N 3.16Å; R1507-L1510 WeakPolarHBondContact O-CB 3.44Å; R1507-L1510 PolarHBondContact O-N 3.22Å; R1507-L1510 VanDerWaalsContact O-N 3.16Å; G1508-L1510 VanDerWaalsContact C-N 3.35Å; G1508-L1510 PolarHBondContact O-N 3.41Å; L1510-I1514 WeakPolarHBondContact O-CD1 3.36Å
1511T88.2Confident83.4Confident1 Ų135.3 Ų35.31%0.00620%0.204CC..THydrogen-bonded Turntrans-94.63.3-175.756.20000114.6L1424 I1428 R1507 G1508 M1509 G1513 I1514 S1689L1424-T1511 HydrophobicContact CB-CG2 4.31Å; L1424-T1511 HydrophobicContact CD1-CG2 4.24Å; I1428-T1511 HydrophobicContact CD1-CG2 4.1Å; R1507-T1511 WeakPolarHBondContact O-CB 3.36Å; R1507-T1511 WeakPolarHBondContact O-CG2 3.4Å; R1507-T1511 PolarHBondContact O-N 3.21Å; R1507-T1511 PolarHBondContact O-OG1 3.12Å; G1508-T1511 PolarHBondContact O-N 3.19Å; G1508-T1511 PolarHBondContact O-OG1 3.49Å; M1509-T1511 VanDerWaalsContact C-N 3.33Å; M1509-T1511 PolarHBondContact O-N 2.94Å; T1511-G1513 PolarHBondContact O-N 3.13Å; T1511-I1514 WeakPolarHBondContact O-CG1 3.36Å; T1511-I1514 PolarHBondContact O-N 2.92Å; T1511-S1689 VanDerWaalsContact O-CA 3.27Å; T1511-S1689 WeakPolarHBondContact O-CA 3.27Å; T1511-S1689 WeakPolarHBondContact O-CB 3.41Å
1512F90.8Very high83.1Confident94.8 Ų94.839.7 Ų39.742%0.41623%0.234SC..THydrogen-bonded Turntrans-57.7127.3-173.5179.4-102.6000112.8G1508 M1509 I1514 L1688 N1747G1508-F1512 WeakPolarHBondContact O-CB 3.48Å; G1508-F1512 PolarHBondContact O-N 3.06Å; G1508-F1512 VanDerWaalsContact O-N 3.11Å; M1509-F1512 PolarHBondContact O-N 3.42Å; F1512-I1514 VanDerWaalsContact C-N 3.27Å; F1512-I1514 PolarHBondContact O-N 3.1Å; F1512-L1688 WeakPolarHBondContact CA-O 3.32Å; F1512-L1688 HydrophobicContact CD2-CB 4.16Å; F1512-L1688 HydrophobicContact CD2-CD2 4.24Å; F1512-L1688 HydrophobicContact CD2-CG 4.4Å; F1512-L1688 VanDerWaalsContact CD2-O 3.27Å; F1512-L1688 WeakPolarHBondContact CD2-O 3.3Å; F1512-L1688 HydrophobicContact CE2-CD2 4.09Å; F1512-N1747 WeakPolarHBondContact CE2-OD1 3.38Å
1513G85Confident82.7Confident15.2 Ų15.240.6 Ų40.616%0.15723%0.23CC..THydrogen-bonded Turntrans64.321.2172.300000116.8T1511 L1688 S1689T1511-G1513 PolarHBondContact O-N 3.13Å; G1513-L1688 PolarHBondContact N-O 3.12Å; G1513-S1689 CarbonylContact C-O 2.98Å
1514I84Confident82.4Confident21.4 Ų21.440.6 Ų40.611%0.1123%0.229CC..  trans-81.5-30.2-173.8-68.7-179000113.3H1427 I1428 L1510 T1511 F1512 T1516 S1689H1427-I1514 HydrophobicContact CB-CG2 3.85Å; I1428-I1514 HydrophobicContact CB-CD1 4.4Å; I1428-I1514 HydrophobicContact CD1-CD1 4.3Å; I1428-I1514 HydrophobicContact CG1-CD1 3.43Å; I1428-I1514 VanDerWaalsContact CG1-CD1 3.42Å; I1428-I1514 HydrophobicContact CG1-CG2 4.32Å; I1428-I1514 HydrophobicContact CG2-CD1 4.22Å; L1510-I1514 WeakPolarHBondContact O-CD1 3.36Å; T1511-I1514 WeakPolarHBondContact O-CG1 3.36Å; T1511-I1514 PolarHBondContact O-N 2.92Å; F1512-I1514 VanDerWaalsContact C-N 3.27Å; F1512-I1514 PolarHBondContact O-N 3.1Å; I1514-T1516 PolarHBondContact O-N 2.99Å; I1514-S1689 PolarHBondContact N-O 3.2Å; I1514-S1689 VanDerWaalsContact N-O 3.1Å
1515L81.9Confident81.8Confident2.6 Ų2.648.4 Ų48.41%0.01426%0.258CS..BIsolated β-bridgetrans-86.4101.9179.7-54.9173.1000109.7H1427 V1520 L1524 S1689 V1690 S1691H1427-L1515 HydrophobicContact CB-CD2 4.38Å; L1515-V1520 HydrophobicContact CB-CG2 4.11Å; L1515-L1524 HydrophobicContact CD1-CD1 3.98Å; L1515-L1524 HydrophobicContact CD1-CD2 3.92Å; L1515-S1689 WeakPolarHBondContact CB-O 3.39Å; L1515-S1689 WeakPolarHBondContact CD1-OG 3.38Å; L1515-S1689 WeakPolarHBondContact CG-O 3.37Å; L1515-S1689 PolarHBondContact N-O 3.06Å; L1515-V1690 HydrophobicContact CD1-CG2 4.47Å; L1515-S1691 WeakPolarHBondContact O-CB 3.32Å; L1515-S1691 PolarHBondContact O-N 3.18Å; L1515-S1691 PolarHBondContact O-OG 3.35Å
1516T76.6Confident81.2Confident22 Ų2245.4 Ų45.414%0.13524%0.243CC..  trans-114.2142.6177.2580000111.6S1401 I1514 S1518 K1519S1401-T1516 VanDerWaalsContact CB-OG1 3.24Å; S1401-T1516 WeakPolarHBondContact CB-OG1 3.36Å; S1401-T1516 WeakPolarHBondContact OG-CB 3.22Å; S1401-T1516 PolarHBondContact OG-OG1 3.09Å; I1514-T1516 PolarHBondContact O-N 2.99Å; T1516-S1518 PolarHBondContact O-N 3.16Å; T1516-K1519 WeakPolarHBondContact O-CB 3.39Å; T1516-K1519 PolarHBondContact O-N 3.1Å; T1516-K1519 VanDerWaalsContact O-N 3.12Å
1517G66.9Low80.6Confident9.8 Ų9.845.8 Ų45.810%0.10124%0.242CC..G310 helixtrans50.8-130.8170.500000114.6E1398 K1519 V1520E1398-G1517 VanDerWaalsContact CD-CA 3.46Å; E1398-G1517 WeakPolarHBondContact OE1-CA 3.36Å; E1398-G1517 PolarHBondContact OE1-N 3.31Å; G1517-K1519 PolarHBondContact O-N 3.22Å; G1517-V1520 WeakPolarHBondContact O-CB 3.39Å; G1517-V1520 WeakPolarHBondContact O-CG2 3.34Å; G1517-V1520 PolarHBondContact O-N 3.11Å; G1517-V1520 VanDerWaalsContact O-N 3.13Å
1518S59.9Low80Confident83 Ų8348.8 Ų48.858%0.5826%0.263SS*.G310 helixtrans-61.2-8.9-178.466.60000115.1N1402 T1516 V1520N1402-S1518 PolarHBondContact OD1-N 2.98Å; N1402-S1518 PolarHBondContact OD1-OG 3Å; N1402-S1518 VanDerWaalsContact OD1-OG 3.06Å; T1516-S1518 PolarHBondContact O-N 3.16Å; S1518-V1520 VanDerWaalsContact C-N 3.31Å
1519K66.4Low79.6Confident78 Ų7849.3 Ų49.334%0.33927%0.265SS..G310 helixtrans-88.2-6.5178.1-58.4165.2-173.1163.80112.7S1401 T1516 G1517 P1521S1401-K1519 PolarHBondContact O-NZ 3.24Å; T1516-K1519 WeakPolarHBondContact O-CB 3.39Å; T1516-K1519 PolarHBondContact O-N 3.1Å; T1516-K1519 VanDerWaalsContact O-N 3.12Å; G1517-K1519 PolarHBondContact O-N 3.22Å; K1519-P1521 WeakPolarHBondContact O-CD 3.24Å
1520V74.7Confident79.1Confident29.4 Ų29.444.2 Ų44.218%0.17824%0.24CC..SBendtrans-72.8120.3173.4-179.90000109.3L1515 G1517 S1518 V1690 A1694 I1696 W1700L1515-V1520 HydrophobicContact CB-CG2 4.11Å; G1517-V1520 WeakPolarHBondContact O-CB 3.39Å; G1517-V1520 WeakPolarHBondContact O-CG2 3.34Å; G1517-V1520 PolarHBondContact O-N 3.11Å; G1517-V1520 VanDerWaalsContact O-N 3.13Å; S1518-V1520 VanDerWaalsContact C-N 3.31Å; V1520-V1690 HydrophobicContact CG1-CG1 4.48Å; V1520-V1690 HydrophobicContact CG2-CG1 4.1Å; V1520-A1694 HydrophobicContact CG2-CB 4.38Å; V1520-I1696 HydrophobicContact CG1-CD1 4.41Å; V1520-W1700 HydrophobicContact CG1-CH2 4.28Å; V1520-W1700 HydrophobicContact CG1-CZ2 3.56Å
1521P77.3Confident78.4Confident46.4 Ų46.443.1 Ų43.130%0.30124%0.235SC..  trans-70.8149.6179.629.6-34.7000111.5K1519 Q1523 L1524 W1700K1519-P1521 WeakPolarHBondContact O-CD 3.24Å; P1521-Q1523 VanDerWaalsContact C-N 3.26Å; P1521-Q1523 PolarHBondContact O-N 3.21Å; P1521-L1524 HydrophobicContact CG-CB 4.43Å; P1521-L1524 HydrophobicContact CG-CD1 4.09Å; P1521-L1524 HydrophobicContact CG-CD2 3.87Å; P1521-W1700 PolarHBondContact O-NE1 3.2Å; P1521-W1700 VanDerWaalsContact O-NE1 3.14Å
1522T78.8Confident77.9Confident120 Ų12045.7 Ų45.774%0.73624%0.244SC*.SBendtrans-61.5-34.4174.552.70000112.4W1700 N1704T1522-W1700 PolarHBondContact O-NE1 3.16Å; T1522-N1704 PolarHBondContact O-ND2 3.27Å
1523Q80.1Confident77.3Confident69.4 Ų69.441.2 Ų41.232%0.32422%0.224SC..SBendtrans-121.8111172.8-170.6-175.132.500110.8P1521 R1525 Y1703 N1704P1521-Q1523 VanDerWaalsContact C-N 3.26Å; P1521-Q1523 PolarHBondContact O-N 3.21Å; Q1523-R1525 HydrophobicContact CG-CG 4.2Å; Q1523-R1525 PolarHBondContact O-N 2.97Å; Q1523-R1525 VanDerWaalsContact O-N 3.11Å; Q1523-R1525 VanDerWaalsContact OE1-NE 3.15Å; Q1523-R1525 VanDerWaalsContact OE1-NH2 3.11Å; Q1523-Y1703 HydrophobicContact CB-CE1 4.37Å; Q1523-Y1703 HydrophobicContact CG-CE1 4.39Å; Q1523-N1704 WeakPolarHBondContact CA-OD1 3.3Å
1524L82.9Confident77.1Confident12 Ų1245.9 Ų45.96%0.06324%0.238CC..  trans-8292.9171.7-15778000109.7L1515 P1521 V1526 I1686 V1690 W1700 N1704 L1740L1515-L1524 HydrophobicContact CD1-CD1 3.98Å; L1515-L1524 HydrophobicContact CD1-CD2 3.92Å; P1521-L1524 HydrophobicContact CG-CB 4.43Å; P1521-L1524 HydrophobicContact CG-CD1 4.09Å; P1521-L1524 HydrophobicContact CG-CD2 3.87Å; L1524-V1526 PolarHBondContact O-N 3.16Å; L1524-I1686 HydrophobicContact CD1-CG2 3.9Å; L1524-I1686 HydrophobicContact CD2-CG2 3.68Å; L1524-I1686 HydrophobicContact CG-CG2 3.57Å; L1524-I1686 VanDerWaalsContact CG-CG2 3.48Å; L1524-V1690 HydrophobicContact CD2-CG2 3.99Å; L1524-W1700 HydrophobicContact CB-CH2 4.22Å; L1524-W1700 HydrophobicContact CB-CZ2 4.17Å; L1524-W1700 HydrophobicContact CD2-CH2 3.97Å; L1524-W1700 HydrophobicContact CD2-CZ2 4.49Å; L1524-N1704 PolarHBondContact N-OD1 3.14Å; L1524-L1740 HydrophobicContact CD2-CD1 3.96Å
1525R76.7Confident76.7Confident163.8 Ų163.845 Ų4562%0.61823%0.233SC*.  trans-72.3128.3175.9-79.9-177.8-177.31732.1110.3Q1523 P1527Q1523-R1525 HydrophobicContact CG-CG 4.2Å; Q1523-R1525 PolarHBondContact O-N 2.97Å; Q1523-R1525 VanDerWaalsContact O-N 3.11Å; Q1523-R1525 VanDerWaalsContact OE1-NE 3.15Å; Q1523-R1525 VanDerWaalsContact OE1-NH2 3.11Å; R1525-P1527 WeakPolarHBondContact O-CD 3.3Å
1526V79.8Confident76.3Confident7.4 Ų7.447.5 Ų47.55%0.04525%0.246CC..  trans-83.8108.2166.3-178.70000108.3L1524 N1682 I1686 A1708 E1736L1524-V1526 PolarHBondContact O-N 3.16Å; V1526-N1682 WeakPolarHBondContact CG1-ND2 3.3Å; V1526-I1686 HydrophobicContact CB-CD1 4.16Å; V1526-I1686 HydrophobicContact CG1-CD1 3.94Å; V1526-I1686 HydrophobicContact CG1-CG1 4.39Å; V1526-I1686 HydrophobicContact CG2-CB 4.35Å; V1526-I1686 HydrophobicContact CG2-CD1 4.08Å; V1526-I1686 HydrophobicContact CG2-CG1 4.49Å; V1526-I1686 HydrophobicContact CG2-CG2 4.22Å; V1526-A1708 HydrophobicContact CG2-CB 4.34Å; V1526-E1736 HydrophobicContact CG1-CB 4.25Å; V1526-E1736 HydrophobicContact CG1-CG 4.34Å; V1526-E1736 WeakPolarHBondContact CG1-OE1 3.34Å
1527P78.4Confident75.8Confident23.8 Ų23.847.4 Ų47.416%0.15525%0.246CC..PPolyproline II helixtrans-71.2130.5175.526.2-35000111.3F1454 R1525 N1682 I1686F1454-P1527 HydrophobicContact CB-CB 4.39Å; F1454-P1527 HydrophobicContact CD1-CB 3.81Å; F1454-P1527 HydrophobicContact CD1-CG 3.8Å; F1454-P1527 HydrophobicContact CD2-CB 4.47Å; F1454-P1527 HydrophobicContact CD2-CG 4.31Å; F1454-P1527 HydrophobicContact CE1-CB 3.69Å; F1454-P1527 HydrophobicContact CE1-CG 3.29Å; F1454-P1527 WeakPolarHBondContact CE1-O 3.37Å; F1454-P1527 HydrophobicContact CE2-CB 4.44Å; F1454-P1527 HydrophobicContact CE2-CG 3.85Å; F1454-P1527 HydrophobicContact CG-CB 4.07Å; F1454-P1527 HydrophobicContact CG-CG 4.28Å; F1454-P1527 HydrophobicContact CZ-CB 4.11Å; F1454-P1527 HydrophobicContact CZ-CG 3.3Å; F1454-P1527 VanDerWaalsContact CZ-CG 3.41Å; R1525-P1527 WeakPolarHBondContact O-CD 3.3Å; P1527-N1682 PolarHBondContact O-ND2 3.02Å; P1527-I1686 HydrophobicContact CG-CD1 4.3Å
1528P78.1Confident75.4Confident66.2 Ų66.250 Ų5043%0.4326%0.261SS..PPolyproline II helixtrans-70.9149.4-176.328.9-35.6000112.4F1454 C1530 N1597F1454-P1528 WeakPolarHBondContact CB-O 3.49Å; P1528-C1530 PolarHBondContact O-N 3.11Å; P1528-N1597 PolarHBondContact O-ND2 3.45Å
1529I83Confident75.4Confident13 Ų1351.4 Ų51.47%0.06727%0.271CS..PPolyproline II helixtrans-69.2126.7177.7-57.6175.4000110.3S1453 V1500 V1504 L1531 N1597 P1678 N1682S1453-I1529 CarbonylContact O-C 3.54Å; S1453-I1529 WeakPolarHBondContact O-CA 3.41Å; V1500-I1529 HydrophobicContact CG1-CG2 3.78Å; V1504-I1529 HydrophobicContact CG2-CD1 3.99Å; V1504-I1529 HydrophobicContact CG2-CG1 4.36Å; I1529-L1531 HydrophobicContact CG2-CD2 4.01Å; I1529-L1531 HydrophobicContact CG2-CG 4.31Å; I1529-L1531 PolarHBondContact O-N 3.41Å; I1529-N1597 VanDerWaalsContact O-CG 3.28Å; I1529-N1597 PolarHBondContact O-ND2 3.21Å; I1529-N1597 PolarHBondContact O-OD1 3.33Å; I1529-N1597 VanDerWaalsContact O-OD1 3.11Å; I1529-P1678 HydrophobicContact CD1-CB 3.79Å; I1529-N1682 HydrophobicContact CD1-CB 4.24Å; I1529-N1682 HydrophobicContact CG1-CB 4.35Å
1530C80.3Confident75.3Confident11.6 Ų11.650.9 Ų50.98%0.07828%0.278CS..  trans-93.7104.6-180-169.10000111.7S1453 F1454 H1456 P1528 R1532 N1597S1453-C1530 PolarHBondContact O-N 3.27Å; F1454-C1530 VanDerWaalsContact C-CB 3.48Å; F1454-C1530 WeakPolarHBondContact O-CB 3.35Å; H1456-C1530 VanDerWaalsContact CA-SG 3.59Å; H1456-C1530 VanDerWaalsContact CD2-SG 3.56Å; P1528-C1530 PolarHBondContact O-N 3.11Å; C1530-R1532 VanDerWaalsContact C-N 3.28Å; C1530-R1532 PolarHBondContact O-N 3.17Å; C1530-N1597 VanDerWaalsContact CA-OD1 3.27Å; C1530-N1597 WeakPolarHBondContact CA-OD1 3.34Å; C1530-N1597 WeakPolarHBondContact CB-OD1 3.3Å; C1530-N1597 PolarHBondContact SG-OD1 3.05Å
1531L77.2Confident74.9Confident14 Ų1452.1 Ų52.17%0.07330%0.296CS..  trans-95.619.1176.5-59.6178000113.5V1500 W1501 I1529 N1597 N1601 L1605V1500-L1531 HydrophobicContact CG1-CD2 4.42Å; W1501-L1531 HydrophobicContact CZ2-CD1 4.09Å; I1529-L1531 HydrophobicContact CG2-CD2 4.01Å; I1529-L1531 HydrophobicContact CG2-CG 4.31Å; I1529-L1531 PolarHBondContact O-N 3.41Å; L1531-N1597 PolarHBondContact N-OD1 3.49Å; L1531-N1601 HydrophobicContact CB-CB 4.23Å; L1531-L1605 HydrophobicContact CD1-CD2 4Å; L1531-L1605 HydrophobicContact CD2-CD2 3.91Å
1532R77.3Confident74.5Confident55.4 Ų55.458.5 Ų58.521%0.20931%0.314CS..  trans-91.2131.4-177.8-86.7-175.4168.5137.8-1.8111.8H1456 I1457 C1530 D1547 V1593 A1595 S1596H1456-R1532 CarbonylContact C-O 3.55Å; H1456-R1532 VanDerWaalsContact CA-O 3.28Å; H1456-R1532 WeakPolarHBondContact CA-O 3.33Å; H1456-R1532 WeakPolarHBondContact CB-O 3.43Å; H1456-R1532 VanDerWaalsContact ND1-CB 3.29Å; H1456-R1532 WeakPolarHBondContact ND1-CB 3.3Å; I1457-R1532 PolarHBondContact N-O 3.32Å; C1530-R1532 VanDerWaalsContact C-N 3.28Å; C1530-R1532 PolarHBondContact O-N 3.17Å; R1532-D1547 VanDerWaalsContact CD-OD1 3.24Å; R1532-D1547 WeakPolarHBondContact CD-OD1 3.45Å; R1532-D1547 HydrophobicContact CG-CB 4.45Å; R1532-D1547 VanDerWaalsContact CG-OD1 3.26Å; R1532-D1547 WeakPolarHBondContact CG-OD1 3.17Å; R1532-D1547 IonicContact CZ-OD1 3.35Å; R1532-D1547 IonicContact CZ-OD2 3.43Å; R1532-D1547 VanDerWaalsContact CZ-OD2 3.26Å; R1532-D1547 VanDerWaalsContact NE-CG 3.26Å; R1532-D1547 IonicContact NE-OD1 3.42Å; R1532-D1547 PolarHBondContact NE-OD1 3.03Å; R1532-D1547 IonicContact NE-OD2 3.23Å; R1532-D1547 PolarHBondContact NE-OD2 3.32Å; R1532-D1547 IonicContact NH2-OD1 2.72Å; R1532-D1547 IonicContact NH2-OD2 2.95Å; R1532-D1547 PolarHBondContact NH2-OD2 3.28Å; R1532-V1593 PolarHBondContact NH1-O 2.94Å; R1532-V1593 PolarHBondContact NH2-O 3.26Å; R1532-A1595 HydrophobicContact CG-CB 3.67Å; R1532-A1595 VanDerWaalsContact CZ-CB 3.47Å; R1532-A1595 PolarHBondContact NH1-O 2.99Å; R1532-A1595 VanDerWaalsContact NH2-CA 3.33Å; R1532-A1595 VanDerWaalsContact NH2-N 3.1Å; R1532-S1596 VanDerWaalsContact CB-O 3.24Å; R1532-S1596 WeakPolarHBondContact CB-O 3.39Å; R1532-S1596 WeakPolarHBondContact CD-O 3.41Å; R1532-S1596 VanDerWaalsContact CG-O 3.22Å; R1532-S1596 WeakPolarHBondContact CG-O 3.42Å; R1532-S1596 PolarHBondContact NH1-O 3.46Å
1533G77.9Confident73.9Confident0 Ų062 Ų620%031%0.314CS..EExtended strand (participates in β ladder)trans-84.9145.3174.400000113I1457 L1545 V1546I1457-G1533 CarbonylContact O-C 3.54Å; I1457-G1533 VanDerWaalsContact O-C 3.29Å; I1457-G1533 VanDerWaalsContact O-CA 3.27Å; I1457-G1533 WeakPolarHBondContact O-CA 3.41Å; G1533-L1545 WeakPolarHBondContact O-CA 3.39Å; G1533-V1546 CarbonylContact C-O 3.58Å; G1533-V1546 VanDerWaalsContact CA-O 3.29Å; G1533-V1546 WeakPolarHBondContact CA-O 3.37Å; G1533-V1546 PolarHBondContact N-O 3.2Å; G1533-V1546 PolarHBondContact O-N 3.33Å; G1533-V1546 VanDerWaalsContact O-O 3.06Å
1534R80.4Confident73.4Confident114.6 Ų114.661.6 Ų61.643%0.43232%0.316SS..EExtended strand (participates in β ladder)trans-117.5107.1164.5-91178.2-171.4-172.72.6108.3H1456 I1457 R1458 L1459 V1544 L1545H1456-R1534 HydrophobicContact CB-CB 4.16Å; H1456-R1534 HydrophobicContact CB-CG 3.79Å; H1456-R1534 PolarHBondContact CD2-NE 3.26Å; H1456-R1534 PolarHBondContact CD2-NH2 3.21Å; H1456-R1534 PolarHBondContact CE1-NH2 2.89Å; H1456-R1534 VanDerWaalsContact CG-NE 3.27Å; H1456-R1534 PolarHBondContact ND1-NE 3.43Å; H1456-R1534 VanDerWaalsContact ND1-NE 3.2Å; H1456-R1534 PolarHBondContact ND1-NH2 2.95Å; H1456-R1534 PolarHBondContact NE2-NE 2.94Å; H1456-R1534 PolarHBondContact NE2-NH2 3.15Å; H1456-R1534 VanDerWaalsContact NE2-NH2 3.14Å; I1457-R1534 PolarHBondContact O-N 3.15Å; R1458-R1534 WeakPolarHBondContact CA-O 3.36Å; R1458-R1534 HydrophobicContact CG-CB 4.44Å; L1459-R1534 PolarHBondContact N-O 3.21Å; R1534-V1544 WeakPolarHBondContact CA-O 3.07Å; R1534-L1545 HydrophobicContact CB-CD2 4.4Å; R1534-L1545 HydrophobicContact CG-CD2 3.77Å
1535A77Confident72.9Confident2.2 Ų2.265 Ų652%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-100.7169.4171.200000110.5L1459 F1489 R1543 V1544 V1546L1459-A1535 HydrophobicContact CB-CB 4.25Å; L1459-A1535 HydrophobicContact CD1-CB 4.27Å; F1489-A1535 HydrophobicContact CD1-CB 4.1Å; F1489-A1535 HydrophobicContact CE1-CB 3.84Å; F1489-A1535 HydrophobicContact CE2-CB 4.41Å; F1489-A1535 HydrophobicContact CG-CB 4.38Å; F1489-A1535 HydrophobicContact CZ-CB 4.04Å; A1535-R1543 CarbonylContact O-C 3.47Å; A1535-R1543 WeakPolarHBondContact O-CA 3.39Å; A1535-V1544 PolarHBondContact N-O 3Å; A1535-V1544 PolarHBondContact O-N 3.03Å; A1535-V1544 VanDerWaalsContact O-O 3.12Å; A1535-V1546 HydrophobicContact CB-CG2 3.84Å
1536I73.3Confident72.6Confident55.2 Ų55.258 Ų5828%0.28331%0.309SS..EExtended strand (participates in β ladder)trans-116.4123.6166-66169.2000105.8R1461 G1541 R1542 R1543R1461-I1536 HydrophobicContact CG-CB 4.44Å; I1536-G1541 WeakPolarHBondContact CG2-O 3.48Å; I1536-R1542 WeakPolarHBondContact CA-O 3.41Å; I1536-R1543 HydrophobicContact CG1-CG 4.43Å
1537S64.5Low72Confident19.2 Ų19.258.9 Ų58.913%0.13431%0.314CS..  trans-65.7129.5179.7164.80000110.2S1539 S1540 G1541 R1542S1537-S1539 VanDerWaalsContact C-N 3.28Å; S1537-S1539 PolarHBondContact O-N 3.18Å; S1537-S1539 PolarHBondContact OG-N 3.02Å; S1537-S1539 PolarHBondContact OG-OG 3.2Å; S1537-S1539 VanDerWaalsContact OG-OG 3.11Å; S1537-S1540 VanDerWaalsContact CB-OG 3.26Å; S1537-S1540 WeakPolarHBondContact CB-OG 3.33Å; S1537-S1540 PolarHBondContact O-N 2.85Å; S1537-S1540 PolarHBondContact OG-N 3.17Å; S1537-S1540 VanDerWaalsContact OG-N 3.14Å; S1537-S1540 PolarHBondContact OG-OG 2.97Å; S1537-G1541 WeakPolarHBondContact O-CA 3.39Å; S1537-G1541 PolarHBondContact O-N 3.17Å; S1537-R1542 PolarHBondContact N-O 3.3Å
1538P59.7Low71.3Confident64.4 Ų64.458.7 Ų58.742%0.41831%0.311SS..THydrogen-bonded Turntrans-67.3-28.3177.726.6-33.1000112.6L1462 T1485L1462-P1538 WeakPolarHBondContact O-CB 3.35Å; T1485-P1538 HydrophobicContact CG2-CG 4.47Å
1539S60.7Low70.4Confident114.2 Ų114.256.3 Ų56.380%0.79930%0.297SS*.THydrogen-bonded Turntrans-86.4-20.4-178.156.60000114.6S1537S1537-S1539 VanDerWaalsContact C-N 3.28Å; S1537-S1539 PolarHBondContact O-N 3.18Å; S1537-S1539 PolarHBondContact OG-N 3.02Å; S1537-S1539 PolarHBondContact OG-OG 3.2Å; S1537-S1539 VanDerWaalsContact OG-OG 3.11Å
1540S64.2Low68.9Low66.8 Ų66.862.8 Ų62.847%0.46732%0.321SS..THydrogen-bonded Turntrans-128-10.7-173.285.70000115.2S1537 R1542S1537-S1540 VanDerWaalsContact CB-OG 3.26Å; S1537-S1540 WeakPolarHBondContact CB-OG 3.33Å; S1537-S1540 PolarHBondContact O-N 2.85Å; S1537-S1540 PolarHBondContact OG-N 3.17Å; S1537-S1540 VanDerWaalsContact OG-N 3.14Å; S1537-S1540 PolarHBondContact OG-OG 2.97Å; S1540-R1542 PolarHBondContact O-N 3.04Å; S1540-R1542 WeakPolarHBondContact OG-CB 3.44Å; S1540-R1542 WeakPolarHBondContact OG-CD 3.21Å; S1540-R1542 VanDerWaalsContact OG-CG 3.3Å; S1540-R1542 WeakPolarHBondContact OG-CG 3.27Å; S1540-R1542 PolarHBondContact OG-N 3.25Å
1541G65.3Low67Low55 Ų5569.5 Ų69.557%0.56735%0.351SS*.  trans64.4-7.5-173.500000114.9I1536 S1537I1536-G1541 WeakPolarHBondContact CG2-O 3.48Å; S1537-G1541 WeakPolarHBondContact O-CA 3.39Å; S1537-G1541 PolarHBondContact O-N 3.17Å
1542R68.6Low65Low179.8 Ų179.873.8 Ų73.868%0.67838%0.38SS*.  trans-71.2147.2178.7-79.6-179.3-177.6-174.70.2110.4I1536 S1537 S1540 V1544I1536-R1542 WeakPolarHBondContact CA-O 3.41Å; S1537-R1542 PolarHBondContact N-O 3.3Å; S1540-R1542 PolarHBondContact O-N 3.04Å; S1540-R1542 WeakPolarHBondContact OG-CB 3.44Å; S1540-R1542 WeakPolarHBondContact OG-CD 3.21Å; S1540-R1542 VanDerWaalsContact OG-CG 3.3Å; S1540-R1542 WeakPolarHBondContact OG-CG 3.27Å; S1540-R1542 PolarHBondContact OG-N 3.25Å; R1542-V1544 PolarHBondContact O-N 3.22Å
1543R66.8Low62.8Low194.2 Ų194.278.9 Ų78.973%0.73341%0.41SS*.EExtended strand (participates in β ladder)trans-71118.5171.6-64.9180-177.3179.51.5108.5A1535 I1536A1535-R1543 CarbonylContact O-C 3.47Å; A1535-R1543 WeakPolarHBondContact O-CA 3.39Å; I1536-R1543 HydrophobicContact CG1-CG 4.43Å
1544V69.4Low60.4Low61.8 Ų61.881.7 Ų81.738%0.37544%0.439SS..EExtended strand (participates in β ladder)trans-101.4129.3175.51770000108R1534 A1535 R1542 V1546R1534-V1544 WeakPolarHBondContact CA-O 3.07Å; A1535-V1544 PolarHBondContact N-O 3Å; A1535-V1544 PolarHBondContact O-N 3.03Å; A1535-V1544 VanDerWaalsContact O-O 3.12Å; R1542-V1544 PolarHBondContact O-N 3.22Å; V1544-V1546 HydrophobicContact CG1-CG2 4.11Å; V1544-V1546 PolarHBondContact O-N 3Å; V1544-V1546 VanDerWaalsContact O-N 3.16Å
1545L73.2Confident58Low81.8 Ų81.882.2 Ų82.243%0.42846%0.457SS..EExtended strand (participates in β ladder)trans-81.6115166.8-73.2170.3000108.1H1456 G1533 R1534 D1547 R1550H1456-L1545 VanDerWaalsContact CE1-CD2 3.43Å; H1456-L1545 WeakPolarHBondContact CE1-CD2 3.49Å; H1456-L1545 VanDerWaalsContact ND1-CD2 3.28Å; H1456-L1545 WeakPolarHBondContact ND1-CD2 3.42Å; G1533-L1545 WeakPolarHBondContact O-CA 3.39Å; R1534-L1545 HydrophobicContact CB-CD2 4.4Å; R1534-L1545 HydrophobicContact CG-CD2 3.77Å; L1545-D1547 PolarHBondContact O-N 3.26Å; L1545-R1550 PolarHBondContact O-NH1 3.5Å
1546V69.6Low55.6Low17.4 Ų17.487 Ų8711%0.10550%0.496CS..EExtended strand (participates in β ladder)trans-96.7116.4172.8-1770000106.5L1459 F1489 L1493 G1533 A1535 V1544L1459-V1546 HydrophobicContact CD1-CB 3.89Å; L1459-V1546 HydrophobicContact CD1-CG1 4.28Å; L1459-V1546 HydrophobicContact CD1-CG2 3.98Å; F1489-V1546 HydrophobicContact CB-CG1 4.1Å; F1489-V1546 HydrophobicContact CB-CG2 4.2Å; F1489-V1546 HydrophobicContact CD2-CG2 4.34Å; F1489-V1546 HydrophobicContact CG-CG2 4.24Å; L1493-V1546 HydrophobicContact CD2-CB 4.27Å; L1493-V1546 HydrophobicContact CD2-CG1 3.98Å; L1493-V1546 VanDerWaalsContact CD2-O 3.24Å; L1493-V1546 WeakPolarHBondContact CD2-O 3.3Å; G1533-V1546 CarbonylContact C-O 3.58Å; G1533-V1546 VanDerWaalsContact CA-O 3.29Å; G1533-V1546 WeakPolarHBondContact CA-O 3.37Å; G1533-V1546 PolarHBondContact N-O 3.2Å; G1533-V1546 PolarHBondContact O-N 3.33Å; G1533-V1546 VanDerWaalsContact O-O 3.06Å; A1535-V1546 HydrophobicContact CB-CG2 3.84Å; V1544-V1546 HydrophobicContact CG1-CG2 4.11Å; V1544-V1546 PolarHBondContact O-N 3Å; V1544-V1546 VanDerWaalsContact O-N 3.16Å
1547D68.3Low53.5Low27.2 Ų27.289.5 Ų89.515%0.14552%0.519CS..  trans-113.1141.4175.5-129.3-28.5000108R1532 L1545 A1549 R1550 A1595 N1601R1532-D1547 VanDerWaalsContact CD-OD1 3.24Å; R1532-D1547 WeakPolarHBondContact CD-OD1 3.45Å; R1532-D1547 HydrophobicContact CG-CB 4.45Å; R1532-D1547 VanDerWaalsContact CG-OD1 3.26Å; R1532-D1547 WeakPolarHBondContact CG-OD1 3.17Å; R1532-D1547 IonicContact CZ-OD1 3.35Å; R1532-D1547 IonicContact CZ-OD2 3.43Å; R1532-D1547 VanDerWaalsContact CZ-OD2 3.26Å; R1532-D1547 VanDerWaalsContact NE-CG 3.26Å; R1532-D1547 IonicContact NE-OD1 3.42Å; R1532-D1547 PolarHBondContact NE-OD1 3.03Å; R1532-D1547 IonicContact NE-OD2 3.23Å; R1532-D1547 PolarHBondContact NE-OD2 3.32Å; R1532-D1547 IonicContact NH2-OD1 2.72Å; R1532-D1547 IonicContact NH2-OD2 2.95Å; R1532-D1547 PolarHBondContact NH2-OD2 3.28Å; L1545-D1547 PolarHBondContact O-N 3.26Å; D1547-A1549 HydrophobicContact CB-CB 4.33Å; D1547-A1549 VanDerWaalsContact CG-CB 3.48Å; D1547-A1549 PolarHBondContact O-N 2.97Å; D1547-A1549 VanDerWaalsContact O-N 3.08Å; D1547-A1549 WeakPolarHBondContact OD1-CB 3.43Å; D1547-A1549 PolarHBondContact OD1-N 3.29Å; D1547-A1549 VanDerWaalsContact OD1-N 3.17Å; D1547-R1550 PolarHBondContact O-N 3.29Å; D1547-R1550 VanDerWaalsContact O-N 3.11Å; D1547-A1595 WeakPolarHBondContact OD1-CB 3.49Å; D1547-N1601 PolarHBondContact OD1-ND2 3.34Å
1548L63.4Low51.7Low19 Ų1992.9 Ų92.910%0.09955%0.548CS..THydrogen-bonded Turntrans-72.7-16.9173.3-65.4172.5000111.5E1490 L1493 A1494 G1600 N1601 A1604 L1605E1490-L1548 HydrophobicContact CB-CD2 4.24Å; E1490-L1548 HydrophobicContact CG-CD2 4.32Å; L1493-L1548 HydrophobicContact CB-CD2 4.19Å; L1493-L1548 HydrophobicContact CD2-CD1 4.29Å; L1493-L1548 HydrophobicContact CD2-CD2 3.97Å; L1493-L1548 HydrophobicContact CD2-CG 3.75Å; L1493-L1548 HydrophobicContact CG-CD1 4.24Å; L1493-L1548 HydrophobicContact CG-CD2 4.07Å; L1493-L1548 HydrophobicContact CG-CG 3.97Å; A1494-L1548 HydrophobicContact CB-CD2 4.3Å; L1548-G1600 CarbonylContact O-C 3.4Å; L1548-G1600 VanDerWaalsContact O-C 3.29Å; L1548-G1600 WeakPolarHBondContact O-CA 3.46Å; L1548-N1601 VanDerWaalsContact CB-OD1 3.25Å; L1548-N1601 WeakPolarHBondContact CB-OD1 3.38Å; L1548-N1601 PolarHBondContact N-OD1 3.43Å; L1548-N1601 PolarHBondContact O-OD1 3.11Å; L1548-A1604 HydrophobicContact CB-CB 3.79Å; L1548-A1604 HydrophobicContact CD1-CB 3.77Å; L1548-A1604 HydrophobicContact CD2-CB 3.86Å; L1548-A1604 HydrophobicContact CG-CB 3.97Å; L1548-L1605 HydrophobicContact CD1-CB 3.91Å; L1548-L1605 HydrophobicContact CD1-CD1 3.98Å; L1548-L1605 HydrophobicContact CD1-CG 4.39Å
1549A57.9Low50.4Low14.8 Ų14.897.2 Ų97.212%0.12257%0.568CS.*THydrogen-bonded Turntrans-93.342.3177.300000113.9D1547 E1551 A1595 H1598 G1600 N1601 A1604D1547-A1549 HydrophobicContact CB-CB 4.33Å; D1547-A1549 VanDerWaalsContact CG-CB 3.48Å; D1547-A1549 PolarHBondContact O-N 2.97Å; D1547-A1549 VanDerWaalsContact O-N 3.08Å; D1547-A1549 WeakPolarHBondContact OD1-CB 3.43Å; D1547-A1549 PolarHBondContact OD1-N 3.29Å; D1547-A1549 VanDerWaalsContact OD1-N 3.17Å; A1549-E1551 PolarHBondContact O-N 3.25Å; A1549-A1595 HydrophobicContact CB-CB 3.74Å; A1549-H1598 WeakPolarHBondContact CA-ND1 3.37Å; A1549-H1598 HydrophobicContact CB-CB 3.68Å; A1549-H1598 WeakPolarHBondContact CB-ND1 3.49Å; A1549-H1598 PolarHBondContact O-CE1 3.19Å; A1549-H1598 PolarHBondContact O-ND1 3.18Å; A1549-H1598 VanDerWaalsContact O-ND1 3.13Å; A1549-G1600 VanDerWaalsContact CB-C 3.5Å; A1549-N1601 WeakPolarHBondContact CA-OD1 3.44Å; A1549-N1601 PolarHBondContact N-OD1 3.38Å; A1549-N1601 VanDerWaalsContact N-OD1 3.07Å; A1549-A1604 HydrophobicContact CB-CB 4.37Å
1550R51.2Low48.8Very low150.4 Ų150.497 Ų9757%0.56857%0.573SS**  trans-90.593.3178.4-86.4-171.5170.5109.4-1.5112.4E1486 E1490 L1545 D1547E1486-R1550 IonicContact OE1-CZ 2.98Å; E1486-R1550 VanDerWaalsContact OE1-CZ 3.23Å; E1486-R1550 IonicContact OE1-NE 3.13Å; E1486-R1550 PolarHBondContact OE1-NE 3.09Å; E1486-R1550 IonicContact OE1-NH2 2.72Å; E1486-R1550 PolarHBondContact OE1-NH2 3.14Å; E1486-R1550 IonicContact OE2-NH2 2.79Å; E1490-R1550 VanDerWaalsContact CD-CZ 3.43Å; E1490-R1550 IonicContact OE1-CZ 3.37Å; E1490-R1550 IonicContact OE1-NE 2.72Å; E1490-R1550 IonicContact OE1-NH1 3.26Å; E1490-R1550 PolarHBondContact OE1-NH1 2.98Å; E1490-R1550 IonicContact OE1-NH2 3.23Å; E1490-R1550 PolarHBondContact OE1-NH2 2.95Å; E1490-R1550 IonicContact OE2-CZ 2.6Å; E1490-R1550 IonicContact OE2-NH1 2.99Å; E1490-R1550 PolarHBondContact OE2-NH1 2.9Å; E1490-R1550 IonicContact OE2-NH2 2.71Å; E1490-R1550 PolarHBondContact OE2-NH2 2.78Å; L1545-R1550 PolarHBondContact O-NH1 3.5Å; D1547-R1550 PolarHBondContact O-N 3.29Å; D1547-R1550 VanDerWaalsContact O-N 3.11Å
1551E40.9Very low47.2Very low152.4 Ų152.497 Ų9771%0.71258%0.583SS**  trans-77.2139.6160.2-80.5-177.8158.100110.3A1549 L1553 H1598A1549-E1551 PolarHBondContact O-N 3.25Å; E1551-L1553 PolarHBondContact O-N 3.03Å; E1551-L1553 VanDerWaalsContact O-N 3.1Å; E1551-H1598 PolarHBondContact O-CE1 3.21Å; E1551-H1598 IonicContact OE1-CD2 3.78Å; E1551-H1598 IonicContact OE1-CE1 3.73Å; E1551-H1598 PolarHBondContact OE1-CE1 3.35Å; E1551-H1598 IonicContact OE1-NE2 3.88Å; E1551-H1598 PolarHBondContact OE1-NE2 3.44Å; E1551-H1598 IonicContact OE2-CD2 3.86Å; E1551-H1598 IonicContact OE2-NE2 2.89Å; E1551-H1598 PolarHBondContact OE2-NE2 2.88Å
1552P35Very low45.6Very low105 Ų105100.1 Ų100.168%0.68259%0.592SS**  trans-69.9115.5168.229.1-31.6000108.8G1554P1552-G1554 VanDerWaalsContact C-N 3.25Å; P1552-G1554 PolarHBondContact O-N 3Å; P1552-G1554 VanDerWaalsContact O-N 3.07Å
1553L30.7Very low43.8Very low161 Ų16198.7 Ų98.784%0.84360%0.597SS**  trans-57.5107.4169.1-72.4168.5000108.7E1551E1551-L1553 PolarHBondContact O-N 3.03Å; E1551-L1553 VanDerWaalsContact O-N 3.1Å
1554G27.7Very low42Very low58.4 Ų58.4101.3 Ų101.360%0.60261%0.607SS**  trans-70.1145.5-177.800000111.9P1552 A1556P1552-G1554 VanDerWaalsContact C-N 3.25Å; P1552-G1554 PolarHBondContact O-N 3Å; P1552-G1554 VanDerWaalsContact O-N 3.07Å; G1554-A1556 PolarHBondContact O-N 3.14Å; G1554-A1556 VanDerWaalsContact O-N 3.17Å
1555P30.2Very low40.1Very low126.4 Ų126.4103.6 Ų103.682%0.82163%0.632SS**  trans-62.9124.3179.227.6-33.9000109.6S1557P1555-S1557 VanDerWaalsContact C-N 3.32Å; P1555-S1557 PolarHBondContact O-N 3.08Å
1556A27Very low38Very low101.6 Ų101.6103.2 Ų103.284%0.8465%0.649SS**  trans-60.1103.617500000110G1554 A1558G1554-A1556 PolarHBondContact O-N 3.14Å; G1554-A1556 VanDerWaalsContact O-N 3.17Å; A1556-A1558 PolarHBondContact O-N 3.08Å
1557S28.7Very low36Very low108.6 Ų108.6109.5 Ų109.576%0.75969%0.688SS**  trans-84.797.2172.9-173.20000109.5P1555 N1559P1555-S1557 VanDerWaalsContact C-N 3.32Å; P1555-S1557 PolarHBondContact O-N 3.08Å; S1557-N1559 VanDerWaalsContact C-N 3.31Å; S1557-N1559 PolarHBondContact O-N 3.08Å; S1557-N1559 VanDerWaalsContact O-N 3.08Å
1558A28.6Very low34.1Very low90.4 Ų90.4112.5 Ų112.575%0.74772%0.716SS**  trans-43.383.5156.900000111.4A1556 A1560A1556-A1558 PolarHBondContact O-N 3.08Å; A1558-A1560 PolarHBondContact O-N 3.32Å
1559N30.9Very low32.3Very low155.6 Ų155.6120.6 Ų120.683%0.83275%0.753SS**  trans-115.3101.1158.3-97.6-17.1000110.1S1557 G1561S1557-N1559 VanDerWaalsContact C-N 3.31Å; S1557-N1559 PolarHBondContact O-N 3.08Å; S1557-N1559 VanDerWaalsContact O-N 3.08Å; N1559-G1561 VanDerWaalsContact C-N 3.28Å; N1559-G1561 PolarHBondContact O-N 3.11Å; N1559-G1561 VanDerWaalsContact O-N 3.1Å
1560A28.5Very low30.9Very low109.4 Ų109.4126.4 Ų126.490%0.90479%0.786SS**  trans-55.5110.7169.500000111.5A1558 T1562A1558-A1560 PolarHBondContact O-N 3.32Å; A1560-T1562 PolarHBondContact O-N 3.29Å
1561G29.9Very low29.7Very low66 Ų66125.8 Ų125.868%0.6879%0.793SS**  trans-14075.417500000113N1559 N1563N1559-G1561 VanDerWaalsContact C-N 3.28Å; N1559-G1561 PolarHBondContact O-N 3.11Å; N1559-G1561 VanDerWaalsContact O-N 3.1Å; G1561-N1563 PolarHBondContact O-N 3.39Å
1562T31Very low29.1Very low121.4 Ų121.4123.4 Ų123.475%0.74580%0.799SS**  trans36.4121156.556.20000118.6A1560A1560-T1562 PolarHBondContact O-N 3.29Å
1563N30.7Very low28.7Very low149.2 Ų149.2123.4 Ų123.480%0.79880%0.802SS**  trans104108.8132.6-63-24.5000118G1561G1561-N1563 PolarHBondContact O-N 3.39Å
1564R30.6Very low28.6Very low249 Ų249119.4 Ų119.494%0.9480%0.8SS**  149.1129.7127.7-96177.8172.2168.4-2115.1
1565A27.7Very low28.7Very low109.6 Ų109.6123.1 Ų123.191%0.90681%0.805SS**  trans-65.1141.8168.500000112.6
1566G29.8Very low28.6Very low75 Ų75124.7 Ų124.777%0.77381%0.807SS**  trans-176.3100173.300000110A1568G1566-A1568 PolarHBondContact O-N 3.43Å
1567T28.1Very low28.9Very low149.8 Ų149.8126.8 Ų126.892%0.91980%0.802SS**  trans-71.3119.2178.6460000111.4
1568A27.5Very low28.9Very low89 Ų89126.3 Ų126.374%0.73681%0.805SS**  trans-152.2120.8161.800000110.4G1566 V1570G1566-A1568 PolarHBondContact O-N 3.43Å; A1568-V1570 PolarHBondContact O-N 3.39Å
1569E26.1Very low29Very low190 Ų190125.8 Ų125.889%0.88881%0.808SS**  trans-68.2126.2167.7-64.3173.4118.600109.6I1571E1569-I1571 HydrophobicContact CB-CG1 4.25Å; E1569-I1571 PolarHBondContact O-N 2.9Å
1570V28.2Very low28.9Very low135.4 Ų135.4122 Ų12282%0.82181%0.806SS**  trans-116.299.9170.3-177.70000109.6A1568 A1572A1568-V1570 PolarHBondContact O-N 3.39Å; V1570-A1572 PolarHBondContact O-N 2.9Å
1571I26.4Very low29Very low138.4 Ų138.4123.1 Ų123.171%0.7181%0.807SS**  trans-55.4117.5167.5-60.3168.6000110.5E1569 S1573E1569-I1571 HydrophobicContact CB-CG1 4.25Å; E1569-I1571 PolarHBondContact O-N 2.9Å; I1571-S1573 VanDerWaalsContact CG2-OG 3.24Å; I1571-S1573 WeakPolarHBondContact CG2-OG 3.45Å; I1571-S1573 PolarHBondContact O-N 3.28Å; I1571-S1573 PolarHBondContact O-OG 3.5Å
1572A28.3Very low29Very low101.4 Ų101.4123.4 Ų123.484%0.83881%0.809SS**  trans-96.778169.800000110.8V1570 G1574V1570-A1572 PolarHBondContact O-N 2.9Å; A1572-G1574 PolarHBondContact O-N 2.93Å
1573S25.6Very low29Very low106.6 Ų106.6124.3 Ų124.375%0.74581%0.81SS**  trans-93.9113.7172.914.90000110.3I1571I1571-S1573 VanDerWaalsContact CG2-OG 3.24Å; I1571-S1573 WeakPolarHBondContact CG2-OG 3.45Å; I1571-S1573 PolarHBondContact O-N 3.28Å; I1571-S1573 PolarHBondContact O-OG 3.5Å
1574G29.7Very low29Very low76.6 Ų76.6127.5 Ų127.579%0.7981%0.811SS**  trans-175.982176.400000110.7A1572A1572-G1574 PolarHBondContact O-N 2.93Å
1575L29.2Very low29Very low134.8 Ų134.8124 Ų12471%0.70681%0.81SS**  trans-142.2106.4133.8-157.775.6000110.8I1577L1575-I1577 HydrophobicContact CD1-CD1 4.02Å; L1575-I1577 HydrophobicContact CD1-CG1 4.22Å; L1575-I1577 HydrophobicContact CD2-CB 4.45Å; L1575-I1577 HydrophobicContact CD2-CD1 4.07Å; L1575-I1577 HydrophobicContact CD2-CG1 4.38Å; L1575-I1577 HydrophobicContact CG-CB 4.2Å; L1575-I1577 HydrophobicContact CG-CD1 4.08Å; L1575-I1577 HydrophobicContact CG-CG1 4.01Å; L1575-I1577 PolarHBondContact O-N 3.45Å
1576D28.6Very low28.9Very low161.2 Ų161.2122.3 Ų122.386%0.86280%0.803SS**  trans-83.6111.1146.2-74.3-27.4000110.8
1577I32Very low28.9Very low145.4 Ų145.4126.6 Ų126.675%0.74681%0.806SS**  trans-120.5140.6169.1-76.4172000108.9L1575 G1579L1575-I1577 HydrophobicContact CD1-CD1 4.02Å; L1575-I1577 HydrophobicContact CD1-CG1 4.22Å; L1575-I1577 HydrophobicContact CD2-CB 4.45Å; L1575-I1577 HydrophobicContact CD2-CD1 4.07Å; L1575-I1577 HydrophobicContact CD2-CG1 4.38Å; L1575-I1577 HydrophobicContact CG-CB 4.2Å; L1575-I1577 HydrophobicContact CG-CD1 4.08Å; L1575-I1577 HydrophobicContact CG-CG1 4.01Å; L1575-I1577 PolarHBondContact O-N 3.45Å; I1577-G1579 PolarHBondContact O-N 3.33Å
1578A30Very low28.8Very low99 Ų99126.1 Ų126.182%0.81880%0.803SS**  trans-59.4142.4-179.800000113.9
1579G29.3Very low28.7Very low79.6 Ų79.6125.2 Ų125.282%0.82180%0.803SS**  trans121.4103.2146.100000116.3I1577I1577-G1579 PolarHBondContact O-N 3.33Å
1580G29.1Very low28.9Very low75.2 Ų75.2123.1 Ų123.178%0.77580%0.803SS**  trans116.9117.7151.500000117.1
1581S30.9Very low28.8Very low132 Ų132124.6 Ų124.692%0.92380%0.801SS**  trans38.7128.4148.2168.10000118.4
1582G31Very low29Very low71.8 Ų71.8122.6 Ų122.674%0.7480%0.799SS**  trans136.8112.3149.300000116.7
1583D31.1Very low29.3Very low141 Ų141122.4 Ų122.475%0.75479%0.787SS**  trans-7.4135.6162.6-91.3-37.1000120.6
1584R30.3Very low30.1Very low216.6 Ų216.6120.8 Ų120.882%0.81777%0.77SS**  trans47.3119.4137.1-63.4169.6-177-159.1-4120
1585L30Very low30.6Very low176 Ų176119 Ų11992%0.92175%0.748SS**  138.6134.3128.1-90144.4000113.6
1586G26.3Very low31.4Very low73.8 Ų73.8114.1 Ų114.176%0.76173%0.725SS**  trans-96.3134.4-169.400000116.5
1587I29Very low32.3Very low164.8 Ų164.8109 Ų10985%0.84570%0.698SS**  trans-134.6137.2153.7-66.1169.6000110.5G1589I1587-G1589 PolarHBondContact O-N 3.02Å
1588T25.6Very low33.3Very low139.2 Ų139.2104.6 Ų104.685%0.85467%0.674SS**  trans-46.1116.9-179.550.20000115.1
1589G27.1Very low34.4Very low70.8 Ų70.8103.4 Ų103.473%0.7366%0.658SS**  trans-115110.2174.800000113.8I1587 Q1591I1587-G1589 PolarHBondContact O-N 3.02Å; G1589-Q1591 VanDerWaalsContact C-N 3.28Å; G1589-Q1591 PolarHBondContact O-N 2.9Å
1590V28.5Very low35.5Very low145.4 Ų145.4100.5 Ų100.588%0.88163%0.628SS**  trans-36.6109.9173.2-175.90000113.4S1592V1590-S1592 PolarHBondContact O-N 3.12Å; V1590-S1592 VanDerWaalsContact O-N 3.08Å
1591Q26.9Very low37.2Very low167.2 Ų167.297.1 Ų97.178%0.78159%0.592SS**  trans-73.6108.8174.7-69176.3-3.600111.3G1589 V1593G1589-Q1591 VanDerWaalsContact C-N 3.28Å; G1589-Q1591 PolarHBondContact O-N 2.9Å; Q1591-V1593 PolarHBondContact O-N 3.04Å; Q1591-V1593 VanDerWaalsContact O-N 3.08Å
1592S31.3Very low38.7Very low96.2 Ų96.291.7 Ų91.767%0.67355%0.554SS**  trans-95.2103.5170.962.10000111.7V1590 D1594V1590-S1592 PolarHBondContact O-N 3.12Å; V1590-S1592 VanDerWaalsContact O-N 3.08Å; S1592-D1594 PolarHBondContact O-N 3.4Å; S1592-D1594 VanDerWaalsContact O-N 3.16Å
1593V34.1Very low40.1Very low97.6 Ų97.690.4 Ų90.459%0.59253%0.532SS*.  trans-64.283.6173.3-177.20000111.2R1532 Q1591 A1595R1532-V1593 PolarHBondContact NH1-O 2.94Å; R1532-V1593 PolarHBondContact NH2-O 3.26Å; Q1591-V1593 PolarHBondContact O-N 3.04Å; Q1591-V1593 VanDerWaalsContact O-N 3.08Å; V1593-A1595 PolarHBondContact O-N 2.98Å; V1593-A1595 VanDerWaalsContact O-N 3.13Å
1594D41.3Very low41.7Very low72.6 Ų72.684.2 Ų84.239%0.38850%0.501SS..  trans-64.779.2179.6-69.6-41.6000111.8S1592 S1596 N1597 N1715S1592-D1594 PolarHBondContact O-N 3.4Å; S1592-D1594 VanDerWaalsContact O-N 3.16Å; D1594-S1596 VanDerWaalsContact C-N 3.28Å; D1594-S1596 PolarHBondContact O-N 3.04Å; D1594-S1596 VanDerWaalsContact O-N 3.11Å; D1594-N1597 HydrophobicContact CB-CB 4.48Å; D1594-N1597 WeakPolarHBondContact CB-ND2 3.46Å; D1594-N1597 PolarHBondContact O-N 3.3Å; D1594-N1597 VanDerWaalsContact O-N 3.13Å; D1594-N1715 PolarHBondContact OD1-ND2 3.33Å; D1594-N1715 VanDerWaalsContact OD2-CB 3.25Å; D1594-N1715 WeakPolarHBondContact OD2-CB 3.4Å; D1594-N1715 PolarHBondContact OD2-ND2 3.09Å
1595A40.1Very low43.5Very low38.4 Ų38.474.3 Ų74.332%0.31746%0.464SS..G310 helixtrans-59.8-20.2179.600000113.1R1532 D1547 A1549 V1593 N1597 H1598 N1601R1532-A1595 HydrophobicContact CG-CB 3.67Å; R1532-A1595 VanDerWaalsContact CZ-CB 3.47Å; R1532-A1595 PolarHBondContact NH1-O 2.99Å; R1532-A1595 VanDerWaalsContact NH2-CA 3.33Å; R1532-A1595 VanDerWaalsContact NH2-N 3.1Å; D1547-A1595 WeakPolarHBondContact OD1-CB 3.49Å; A1549-A1595 HydrophobicContact CB-CB 3.74Å; V1593-A1595 PolarHBondContact O-N 2.98Å; V1593-A1595 VanDerWaalsContact O-N 3.13Å; A1595-N1597 PolarHBondContact O-N 3.09Å; A1595-N1597 VanDerWaalsContact O-N 3.09Å; A1595-H1598 WeakPolarHBondContact O-CB 3.47Å; A1595-H1598 PolarHBondContact O-N 3.18Å; A1595-N1601 VanDerWaalsContact O-CG 3.28Å; A1595-N1601 PolarHBondContact O-ND2 3.16Å
1596S45.9Very low45.1Very low32.6 Ų32.666.1 Ų66.123%0.22842%0.421CS..G310 helixtrans-67.9-20.7-176.357.50000114.4H1456 R1532 D1594 N1601 K1675H1456-S1596 WeakPolarHBondContact NE2-CB 3.46Å; R1532-S1596 VanDerWaalsContact CB-O 3.24Å; R1532-S1596 WeakPolarHBondContact CB-O 3.39Å; R1532-S1596 WeakPolarHBondContact CD-O 3.41Å; R1532-S1596 VanDerWaalsContact CG-O 3.22Å; R1532-S1596 WeakPolarHBondContact CG-O 3.42Å; R1532-S1596 PolarHBondContact NH1-O 3.46Å; D1594-S1596 VanDerWaalsContact C-N 3.28Å; D1594-S1596 PolarHBondContact O-N 3.04Å; D1594-S1596 VanDerWaalsContact O-N 3.11Å; S1596-N1601 WeakPolarHBondContact CA-ND2 3.34Å; S1596-K1675 PolarHBondContact O-NZ 2.9Å
1597N49.4Very low46.9Very low54 Ų5464.1 Ų64.129%0.28939%0.393SS..G310 helixtrans-115.236.2-176.2-72.8-31.3000113.8P1528 I1529 C1530 L1531 D1594 A1595 P1599 K1675P1528-N1597 PolarHBondContact O-ND2 3.45Å; I1529-N1597 VanDerWaalsContact O-CG 3.28Å; I1529-N1597 PolarHBondContact O-ND2 3.21Å; I1529-N1597 PolarHBondContact O-OD1 3.33Å; I1529-N1597 VanDerWaalsContact O-OD1 3.11Å; C1530-N1597 VanDerWaalsContact CA-OD1 3.27Å; C1530-N1597 WeakPolarHBondContact CA-OD1 3.34Å; C1530-N1597 WeakPolarHBondContact CB-OD1 3.3Å; C1530-N1597 PolarHBondContact SG-OD1 3.05Å; L1531-N1597 PolarHBondContact N-OD1 3.49Å; D1594-N1597 HydrophobicContact CB-CB 4.48Å; D1594-N1597 WeakPolarHBondContact CB-ND2 3.46Å; D1594-N1597 PolarHBondContact O-N 3.3Å; D1594-N1597 VanDerWaalsContact O-N 3.13Å; A1595-N1597 PolarHBondContact O-N 3.09Å; A1595-N1597 VanDerWaalsContact O-N 3.09Å; N1597-P1599 WeakPolarHBondContact O-CD 3.44Å; N1597-K1675 PolarHBondContact OD1-NZ 3.03Å
1598H52.4Low48.6Very low52.2 Ų52.256.5 Ų56.524%0.24235%0.354CS..  trans-70.5131.6172.6-166.2-103.2000110.6A1549 E1551 A1595 G1600 N1601 S1602A1549-H1598 WeakPolarHBondContact CA-ND1 3.37Å; A1549-H1598 HydrophobicContact CB-CB 3.68Å; A1549-H1598 WeakPolarHBondContact CB-ND1 3.49Å; A1549-H1598 PolarHBondContact O-CE1 3.19Å; A1549-H1598 PolarHBondContact O-ND1 3.18Å; A1549-H1598 VanDerWaalsContact O-ND1 3.13Å; E1551-H1598 PolarHBondContact O-CE1 3.21Å; E1551-H1598 IonicContact OE1-CD2 3.78Å; E1551-H1598 IonicContact OE1-CE1 3.73Å; E1551-H1598 PolarHBondContact OE1-CE1 3.35Å; E1551-H1598 IonicContact OE1-NE2 3.88Å; E1551-H1598 PolarHBondContact OE1-NE2 3.44Å; E1551-H1598 IonicContact OE2-CD2 3.86Å; E1551-H1598 IonicContact OE2-NE2 2.89Å; E1551-H1598 PolarHBondContact OE2-NE2 2.88Å; A1595-H1598 WeakPolarHBondContact O-CB 3.47Å; A1595-H1598 PolarHBondContact O-N 3.18Å; H1598-G1600 VanDerWaalsContact C-N 3.29Å; H1598-G1600 WeakPolarHBondContact ND1-CA 3.37Å; H1598-G1600 PolarHBondContact ND1-N 2.98Å; H1598-G1600 PolarHBondContact O-N 3.26Å; H1598-G1600 VanDerWaalsContact O-N 3.12Å; H1598-N1601 HydrophobicContact CB-CB 4.44Å; H1598-N1601 WeakPolarHBondContact O-CB 3.37Å; H1598-N1601 PolarHBondContact O-N 3.12Å; H1598-N1601 VanDerWaalsContact O-N 3.08Å; H1598-S1602 PolarHBondContact O-N 3.01Å
1599P52.5Low50.4Low74.4 Ų74.450.5 Ų50.548%0.48332%0.318SS..Hα-helixtrans-61.5-27.6-18023.7-33.7000112.8N1597 N1601 S1602 V1603N1597-P1599 WeakPolarHBondContact O-CD 3.44Å; P1599-N1601 VanDerWaalsContact C-N 3.28Å; P1599-N1601 PolarHBondContact O-N 3.18Å; P1599-S1602 WeakPolarHBondContact O-CA 3.44Å; P1599-S1602 WeakPolarHBondContact O-CB 3.16Å; P1599-S1602 PolarHBondContact O-N 3.29Å; P1599-S1602 PolarHBondContact O-OG 3.12Å; P1599-V1603 PolarHBondContact O-N 3.22Å
1600G53.3Low52Low19.2 Ų19.248.4 Ų48.420%0.19829%0.292CS..Hα-helixtrans-60.1-33.2171.500000113.6L1548 A1549 H1598 S1602 V1603 A1604L1548-G1600 CarbonylContact O-C 3.4Å; L1548-G1600 VanDerWaalsContact O-C 3.29Å; L1548-G1600 WeakPolarHBondContact O-CA 3.46Å; A1549-G1600 VanDerWaalsContact CB-C 3.5Å; H1598-G1600 VanDerWaalsContact C-N 3.29Å; H1598-G1600 WeakPolarHBondContact ND1-CA 3.37Å; H1598-G1600 PolarHBondContact ND1-N 2.98Å; H1598-G1600 PolarHBondContact O-N 3.26Å; H1598-G1600 VanDerWaalsContact O-N 3.12Å; G1600-S1602 VanDerWaalsContact C-N 3.29Å; G1600-S1602 PolarHBondContact O-N 3.29Å; G1600-V1603 CarbonylContact O-C 3.58Å; G1600-V1603 PolarHBondContact O-N 3.28Å; G1600-V1603 VanDerWaalsContact O-N 3.09Å; G1600-A1604 WeakPolarHBondContact O-CB 3.22Å; G1600-A1604 PolarHBondContact O-N 3.13Å; G1600-A1604 VanDerWaalsContact O-N 3.11Å
1601N63.9Low53.5Low2.6 Ų2.642.9 Ų42.91%0.01426%0.258CS..Hα-helixtrans-64.3-35176.3-79.27.8000112.1L1531 D1547 L1548 A1549 A1595 S1596 H1598 P1599 V1603 A1604 L1605L1531-N1601 HydrophobicContact CB-CB 4.23Å; D1547-N1601 PolarHBondContact OD1-ND2 3.34Å; L1548-N1601 VanDerWaalsContact CB-OD1 3.25Å; L1548-N1601 WeakPolarHBondContact CB-OD1 3.38Å; L1548-N1601 PolarHBondContact N-OD1 3.43Å; L1548-N1601 PolarHBondContact O-OD1 3.11Å; A1549-N1601 WeakPolarHBondContact CA-OD1 3.44Å; A1549-N1601 PolarHBondContact N-OD1 3.38Å; A1549-N1601 VanDerWaalsContact N-OD1 3.07Å; A1595-N1601 VanDerWaalsContact O-CG 3.28Å; A1595-N1601 PolarHBondContact O-ND2 3.16Å; S1596-N1601 WeakPolarHBondContact CA-ND2 3.34Å; H1598-N1601 HydrophobicContact CB-CB 4.44Å; H1598-N1601 WeakPolarHBondContact O-CB 3.37Å; H1598-N1601 PolarHBondContact O-N 3.12Å; H1598-N1601 VanDerWaalsContact O-N 3.08Å; P1599-N1601 VanDerWaalsContact C-N 3.28Å; P1599-N1601 PolarHBondContact O-N 3.18Å; N1601-V1603 VanDerWaalsContact C-N 3.31Å; N1601-V1603 PolarHBondContact O-N 2.93Å; N1601-A1604 PolarHBondContact O-N 3.15Å; N1601-L1605 HydrophobicContact CB-CD1 4.32Å; N1601-L1605 WeakPolarHBondContact O-CB 3.38Å; N1601-L1605 WeakPolarHBondContact O-CD1 3.31Å; N1601-L1605 WeakPolarHBondContact O-CG 3.37Å; N1601-L1605 PolarHBondContact O-N 3.17Å
1602S62.1Low55.2Low18.4 Ų18.437.1 Ų37.113%0.12924%0.238CC..Hα-helixtrans-65.9-36.1176.9700000112.4H1598 P1599 G1600 A1604 A1606 Q1666 K1675H1598-S1602 PolarHBondContact O-N 3.01Å; P1599-S1602 WeakPolarHBondContact O-CA 3.44Å; P1599-S1602 WeakPolarHBondContact O-CB 3.16Å; P1599-S1602 PolarHBondContact O-N 3.29Å; P1599-S1602 PolarHBondContact O-OG 3.12Å; G1600-S1602 VanDerWaalsContact C-N 3.29Å; G1600-S1602 PolarHBondContact O-N 3.29Å; S1602-A1604 VanDerWaalsContact C-N 3.34Å; S1602-A1606 VanDerWaalsContact O-CB 3.27Å; S1602-A1606 WeakPolarHBondContact O-CB 3.45Å; S1602-A1606 PolarHBondContact O-N 3.12Å; S1602-Q1666 WeakPolarHBondContact OG-CG 3.43Å; S1602-Q1666 PolarHBondContact OG-NE2 3.09Å; S1602-Q1666 VanDerWaalsContact OG-NE2 3.07Å; S1602-K1675 VanDerWaalsContact OG-CE 3.29Å; S1602-K1675 WeakPolarHBondContact OG-CE 3.5Å; S1602-K1675 PolarHBondContact OG-NZ 3.06Å
1603V61.6Low56.4Low44.8 Ų44.835.8 Ų35.827%0.27223%0.229SC..Hα-helixtrans-72.1-43.2175.8-1790000110.6P1599 G1600 N1601 L1605 A1606 I1607 L1660 I1665 Q1666 K1675P1599-V1603 PolarHBondContact O-N 3.22Å; G1600-V1603 CarbonylContact O-C 3.58Å; G1600-V1603 PolarHBondContact O-N 3.28Å; G1600-V1603 VanDerWaalsContact O-N 3.09Å; N1601-V1603 VanDerWaalsContact C-N 3.31Å; N1601-V1603 PolarHBondContact O-N 2.93Å; V1603-L1605 VanDerWaalsContact C-N 3.31Å; V1603-L1605 PolarHBondContact O-N 3.13Å; V1603-A1606 CarbonylContact O-C 3.59Å; V1603-A1606 WeakPolarHBondContact O-CA 3.32Å; V1603-A1606 VanDerWaalsContact O-CB 3.32Å; V1603-A1606 WeakPolarHBondContact O-CB 3.33Å; V1603-A1606 PolarHBondContact O-N 3.29Å; V1603-A1606 VanDerWaalsContact O-N 3.14Å; V1603-I1607 HydrophobicContact CG1-CD1 4.02Å; V1603-I1607 HydrophobicContact CG1-CG1 4.48Å; V1603-I1607 VanDerWaalsContact O-CG1 3.3Å; V1603-I1607 WeakPolarHBondContact O-CG1 3.36Å; V1603-I1607 PolarHBondContact O-N 2.96Å; V1603-L1660 HydrophobicContact CG1-CD2 4.31Å; V1603-I1665 HydrophobicContact CG2-CD1 3.82Å; V1603-Q1666 HydrophobicContact CG1-CG 4.03Å; V1603-K1675 HydrophobicContact CG2-CD 3.96Å
1604A64.5Low57.4Low12.2 Ų12.235.3 Ų35.310%0.10123%0.229CC..Hα-helixtrans-64.1-39.8176.200000112.4L1548 A1549 G1600 N1601 S1602 A1606 I1607 A1608 V2478L1548-A1604 HydrophobicContact CB-CB 3.79Å; L1548-A1604 HydrophobicContact CD1-CB 3.77Å; L1548-A1604 HydrophobicContact CD2-CB 3.86Å; L1548-A1604 HydrophobicContact CG-CB 3.97Å; A1549-A1604 HydrophobicContact CB-CB 4.37Å; G1600-A1604 WeakPolarHBondContact O-CB 3.22Å; G1600-A1604 PolarHBondContact O-N 3.13Å; G1600-A1604 VanDerWaalsContact O-N 3.11Å; N1601-A1604 PolarHBondContact O-N 3.15Å; S1602-A1604 VanDerWaalsContact C-N 3.34Å; A1604-A1606 VanDerWaalsContact C-N 3.31Å; A1604-A1606 PolarHBondContact O-N 2.88Å; A1604-I1607 PolarHBondContact O-N 3.19Å; A1604-A1608 VanDerWaalsContact O-CB 3.26Å; A1604-A1608 WeakPolarHBondContact O-CB 3.36Å; A1604-A1608 PolarHBondContact O-N 3.23Å; A1604-V2478 HydrophobicContact CB-CG1 4.47Å; A1604-V2478 HydrophobicContact CB-CG2 3.59Å
1605L66.9Low57.7Low8.2 Ų8.233.9 Ų33.94%0.04323%0.232CC..Hα-helixtrans-66.6-35.8172.1-119119.6000111.8A1494 I1498 W1501 L1531 L1548 N1601 V1603 A1608 S1609 V1671 A1674 K1675A1494-L1605 HydrophobicContact CB-CD1 4.15Å; I1498-L1605 HydrophobicContact CG1-CD1 4.33Å; W1501-L1605 HydrophobicContact CD2-CD2 3.82Å; W1501-L1605 HydrophobicContact CD2-CG 4.47Å; W1501-L1605 HydrophobicContact CE3-CD2 3.91Å; W1501-L1605 HydrophobicContact CE3-CG 4.14Å; W1501-L1605 HydrophobicContact CH2-CB 3.8Å; W1501-L1605 HydrophobicContact CH2-CD2 3.46Å; W1501-L1605 HydrophobicContact CH2-CG 3.82Å; W1501-L1605 HydrophobicContact CZ2-CB 3.96Å; W1501-L1605 HydrophobicContact CZ2-CD1 4.4Å; W1501-L1605 HydrophobicContact CZ2-CD2 3.47Å; W1501-L1605 VanDerWaalsContact CZ2-CD2 3.45Å; W1501-L1605 HydrophobicContact CZ2-CG 3.87Å; W1501-L1605 HydrophobicContact CZ3-CB 4.38Å; W1501-L1605 HydrophobicContact CZ3-CD2 4.09Å; W1501-L1605 HydrophobicContact CZ3-CG 3.73Å; L1531-L1605 HydrophobicContact CD1-CD2 4Å; L1531-L1605 HydrophobicContact CD2-CD2 3.91Å; L1548-L1605 HydrophobicContact CD1-CB 3.91Å; L1548-L1605 HydrophobicContact CD1-CD1 3.98Å; L1548-L1605 HydrophobicContact CD1-CG 4.39Å; N1601-L1605 HydrophobicContact CB-CD1 4.32Å; N1601-L1605 WeakPolarHBondContact O-CB 3.38Å; N1601-L1605 WeakPolarHBondContact O-CD1 3.31Å; N1601-L1605 WeakPolarHBondContact O-CG 3.37Å; N1601-L1605 PolarHBondContact O-N 3.17Å; V1603-L1605 VanDerWaalsContact C-N 3.31Å; V1603-L1605 PolarHBondContact O-N 3.13Å; L1605-A1608 PolarHBondContact O-N 3.24Å; L1605-S1609 WeakPolarHBondContact O-CA 3.49Å; L1605-S1609 VanDerWaalsContact O-CB 3.29Å; L1605-S1609 WeakPolarHBondContact O-CB 3.33Å; L1605-S1609 PolarHBondContact O-N 3.01Å; L1605-S1609 PolarHBondContact O-OG 3.08Å; L1605-V1671 HydrophobicContact CB-CG1 4.42Å; L1605-A1674 HydrophobicContact CD2-CB 3.61Å; L1605-A1674 WeakPolarHBondContact CD2-O 3.48Å; L1605-K1675 HydrophobicContact CD1-CB 4.16Å
1606A63.6Low58Low3.4 Ų3.433.4 Ų33.43%0.02823%0.228CC..Hα-helixtrans-65.5-42.817500000111.9W1501 S1602 V1603 A1604 S1609 S1610 L1660 I1665 V1671 A1674 K1675W1501-A1606 HydrophobicContact CH2-CB 4Å; S1602-A1606 VanDerWaalsContact O-CB 3.27Å; S1602-A1606 WeakPolarHBondContact O-CB 3.45Å; S1602-A1606 PolarHBondContact O-N 3.12Å; V1603-A1606 CarbonylContact O-C 3.59Å; V1603-A1606 WeakPolarHBondContact O-CA 3.32Å; V1603-A1606 VanDerWaalsContact O-CB 3.32Å; V1603-A1606 WeakPolarHBondContact O-CB 3.33Å; V1603-A1606 PolarHBondContact O-N 3.29Å; V1603-A1606 VanDerWaalsContact O-N 3.14Å; A1604-A1606 VanDerWaalsContact C-N 3.31Å; A1604-A1606 PolarHBondContact O-N 2.88Å; A1606-S1609 PolarHBondContact O-N 2.96Å; A1606-S1609 PolarHBondContact O-OG 3.09Å; A1606-S1609 VanDerWaalsContact O-OG 3.12Å; A1606-S1610 WeakPolarHBondContact O-CA 3.45Å; A1606-S1610 VanDerWaalsContact O-CB 3.24Å; A1606-S1610 WeakPolarHBondContact O-CB 3.45Å; A1606-S1610 PolarHBondContact O-N 3.07Å; A1606-S1610 PolarHBondContact O-OG 3.42Å; A1606-L1660 HydrophobicContact CB-CD2 4.22Å; A1606-I1665 HydrophobicContact CB-CB 4.47Å; A1606-I1665 HydrophobicContact CB-CG2 3.58Å; A1606-V1671 VanDerWaalsContact CA-CG2 3.45Å; A1606-V1671 HydrophobicContact CB-CG1 4Å; A1606-V1671 HydrophobicContact CB-CG2 3.64Å; A1606-V1671 VanDerWaalsContact CB-CG2 3.44Å; A1606-V1671 WeakPolarHBondContact CB-O 3.39Å; A1606-A1674 HydrophobicContact CB-CB 4.02Å; A1606-K1675 HydrophobicContact CB-CB 3.95Å
1607I64Low58.1Low32.4 Ų32.433 Ų3317%0.16623%0.229CC..Hα-helixtrans-62.2-49.4172.7-66.1164.9000110V1603 A1604 S1609 S1610 L1611 V1623 L1627 L1660 I1665 Q1666 V1671 P2477 V2478V1603-I1607 HydrophobicContact CG1-CD1 4.02Å; V1603-I1607 HydrophobicContact CG1-CG1 4.48Å; V1603-I1607 VanDerWaalsContact O-CG1 3.3Å; V1603-I1607 WeakPolarHBondContact O-CG1 3.36Å; V1603-I1607 PolarHBondContact O-N 2.96Å; A1604-I1607 PolarHBondContact O-N 3.19Å; I1607-S1609 PolarHBondContact O-N 3.05Å; I1607-S1610 PolarHBondContact O-N 2.95Å; I1607-S1610 PolarHBondContact O-OG 3.42Å; I1607-L1611 HydrophobicContact CG2-CD1 3.75Å; I1607-L1611 HydrophobicContact CG2-CG 4.28Å; I1607-L1611 VanDerWaalsContact O-CB 3.27Å; I1607-L1611 WeakPolarHBondContact O-CB 3.4Å; I1607-L1611 WeakPolarHBondContact O-CD1 3.33Å; I1607-L1611 VanDerWaalsContact O-CG 3.29Å; I1607-L1611 WeakPolarHBondContact O-CG 3.28Å; I1607-L1611 PolarHBondContact O-N 3.2Å; I1607-V1623 HydrophobicContact CG2-CG1 4.04Å; I1607-L1627 HydrophobicContact CD1-CD1 4.27Å; I1607-L1660 HydrophobicContact CD1-CD1 4.04Å; I1607-L1660 HydrophobicContact CD1-CD2 4.5Å; I1607-L1660 HydrophobicContact CG1-CD1 3.48Å; I1607-L1660 HydrophobicContact CG1-CD2 3.69Å; I1607-L1660 HydrophobicContact CG1-CG 4.24Å; I1607-L1660 HydrophobicContact CG2-CD2 3.59Å; I1607-I1665 HydrophobicContact CD1-CG2 4.21Å; I1607-I1665 HydrophobicContact CG1-CG2 4.07Å; I1607-I1665 HydrophobicContact CG2-CD1 3.95Å; I1607-I1665 HydrophobicContact CG2-CG1 4.39Å; I1607-I1665 HydrophobicContact CG2-CG2 4.12Å; I1607-Q1666 HydrophobicContact CD1-CG 3.98Å; I1607-V1671 HydrophobicContact CG1-CG1 3.71Å; I1607-V1671 HydrophobicContact CG1-CG2 4.17Å; I1607-P2477 HydrophobicContact CD1-CB 4.27Å; I1607-P2477 HydrophobicContact CD1-CG 3.81Å; I1607-V2478 HydrophobicContact CB-CG2 4.08Å; I1607-V2478 HydrophobicContact CD1-CG2 3.88Å; I1607-V2478 HydrophobicContact CG2-CG2 4.2Å
1608A65.8Low58.1Low4.4 Ų4.433.2 Ų33.24%0.03624%0.238CC..Hα-helixtrans-63.4-41.6-179.200000112.9A1494 I1498 W1501 A1604 L1605 L1611 A1612 V2478 V2483 A2486A1494-A1608 HydrophobicContact CB-CB 4.19Å; I1498-A1608 HydrophobicContact CD1-CB 4.37Å; W1501-A1608 HydrophobicContact CH2-CB 4.37Å; A1604-A1608 VanDerWaalsContact O-CB 3.26Å; A1604-A1608 WeakPolarHBondContact O-CB 3.36Å; A1604-A1608 PolarHBondContact O-N 3.23Å; L1605-A1608 PolarHBondContact O-N 3.24Å; A1608-L1611 PolarHBondContact O-N 3.07Å; A1608-A1612 VanDerWaalsContact O-CB 3.28Å; A1608-A1612 WeakPolarHBondContact O-CB 3.38Å; A1608-A1612 PolarHBondContact O-N 2.97Å; A1608-V2478 HydrophobicContact CB-CG1 4.38Å; A1608-V2483 HydrophobicContact CB-CG2 4.35Å; A1608-A2486 HydrophobicContact CB-CB 4.16Å
1609S63.6Low58Low12.8 Ų12.833.6 Ų33.69%0.0925%0.246CC..Hα-helixtrans-72.3-39.6178.7110.50000112.4L1605 A1606 I1607 L1611 A1612 S1613 G1670 V1671L1605-S1609 WeakPolarHBondContact O-CA 3.49Å; L1605-S1609 VanDerWaalsContact O-CB 3.29Å; L1605-S1609 WeakPolarHBondContact O-CB 3.33Å; L1605-S1609 PolarHBondContact O-N 3.01Å; L1605-S1609 PolarHBondContact O-OG 3.08Å; A1606-S1609 PolarHBondContact O-N 2.96Å; A1606-S1609 PolarHBondContact O-OG 3.09Å; A1606-S1609 VanDerWaalsContact O-OG 3.12Å; I1607-S1609 PolarHBondContact O-N 3.05Å; S1609-L1611 VanDerWaalsContact C-N 3.27Å; S1609-L1611 PolarHBondContact O-N 2.82Å; S1609-A1612 PolarHBondContact O-N 3.21Å; S1609-S1613 VanDerWaalsContact O-CB 3.25Å; S1609-S1613 WeakPolarHBondContact O-CB 3.44Å; S1609-S1613 PolarHBondContact O-N 3Å; S1609-S1613 VanDerWaalsContact O-N 3.12Å; S1609-S1613 PolarHBondContact O-OG 3.27Å; S1609-S1613 VanDerWaalsContact O-OG 3.09Å; S1609-G1670 PolarHBondContact OG-O 3.3Å; S1609-V1671 WeakPolarHBondContact OG-CG2 3.35Å
1610S61.3Low57.8Low27 Ų2731.7 Ų31.719%0.18923%0.232CC..Hα-helixtrans-65.6-40.9173.8157.60000111.6A1606 I1607 A1612 S1613 C1614A1606-S1610 WeakPolarHBondContact O-CA 3.45Å; A1606-S1610 VanDerWaalsContact O-CB 3.24Å; A1606-S1610 WeakPolarHBondContact O-CB 3.45Å; A1606-S1610 PolarHBondContact O-N 3.07Å; A1606-S1610 PolarHBondContact O-OG 3.42Å; I1607-S1610 PolarHBondContact O-N 2.95Å; I1607-S1610 PolarHBondContact O-OG 3.42Å; S1610-A1612 VanDerWaalsContact C-N 3.31Å; S1610-A1612 PolarHBondContact O-N 3.03Å; S1610-S1613 WeakPolarHBondContact CA-OG 3.37Å; S1610-S1613 PolarHBondContact O-N 3.01Å; S1610-S1613 PolarHBondContact O-OG 3.01Å; S1610-S1613 VanDerWaalsContact O-OG 3.06Å; S1610-C1614 WeakPolarHBondContact O-CB 3.41Å; S1610-C1614 PolarHBondContact O-N 3.19Å; S1610-C1614 VanDerWaalsContact O-N 3.08Å; S1610-C1614 PolarHBondContact O-SG 3.11Å; S1610-C1614 VanDerWaalsContact O-SG 3.33Å
1611L60.1Low57.7Low30.8 Ų30.836.8 Ų36.816%0.16125%0.245CC..Hα-helixtrans-66.1-33173.8-78.7158.8000112.6I1607 A1608 S1609 S1613 C1614 G1615 G1617 L1620 V1623 T1656 L1659 L1660 I1665 V2483I1607-L1611 HydrophobicContact CG2-CD1 3.75Å; I1607-L1611 HydrophobicContact CG2-CG 4.28Å; I1607-L1611 VanDerWaalsContact O-CB 3.27Å; I1607-L1611 WeakPolarHBondContact O-CB 3.4Å; I1607-L1611 WeakPolarHBondContact O-CD1 3.33Å; I1607-L1611 VanDerWaalsContact O-CG 3.29Å; I1607-L1611 WeakPolarHBondContact O-CG 3.28Å; I1607-L1611 PolarHBondContact O-N 3.2Å; A1608-L1611 PolarHBondContact O-N 3.07Å; S1609-L1611 VanDerWaalsContact C-N 3.27Å; S1609-L1611 PolarHBondContact O-N 2.82Å; L1611-S1613 VanDerWaalsContact C-N 3.29Å; L1611-S1613 PolarHBondContact O-N 3.17Å; L1611-C1614 PolarHBondContact O-N 2.6Å; L1611-G1615 CarbonylContact O-C 3.52Å; L1611-G1615 WeakPolarHBondContact O-CA 3.44Å; L1611-G1615 PolarHBondContact O-N 3.38Å; L1611-G1617 PolarHBondContact O-N 3.24Å; L1611-L1620 HydrophobicContact CD1-CD1 4.27Å; L1611-L1620 HydrophobicContact CD1-CD2 4.21Å; L1611-L1620 HydrophobicContact CD2-CB 4.29Å; L1611-L1620 HydrophobicContact CD2-CD1 3.24Å; L1611-L1620 HydrophobicContact CD2-CD2 4.24Å; L1611-L1620 HydrophobicContact CD2-CG 4.42Å; L1611-L1620 HydrophobicContact CG-CD1 4.03Å; L1611-V1623 HydrophobicContact CD2-CG2 4.37Å; L1611-T1656 HydrophobicContact CD2-CG2 4.47Å; L1611-L1659 HydrophobicContact CD1-CB 4.47Å; L1611-L1659 HydrophobicContact CD2-CB 3.71Å; L1611-L1659 HydrophobicContact CD2-CD1 4.02Å; L1611-L1659 HydrophobicContact CD2-CG 4.25Å; L1611-L1660 HydrophobicContact CD1-CD2 3.54Å; L1611-L1660 HydrophobicContact CD1-CG 3.94Å; L1611-I1665 HydrophobicContact CD1-CD1 3.75Å; L1611-I1665 HydrophobicContact CD2-CD1 3.86Å; L1611-I1665 HydrophobicContact CG-CD1 3.99Å; L1611-V2483 HydrophobicContact CB-CG1 3.95Å; L1611-V2483 HydrophobicContact CD1-CG2 4.35Å
1612A61.4Low57Low44 Ų4440.4 Ų40.436%0.36427%0.267SS..Hα-helixtrans-73.6-37.317600000112.6A1608 S1609 S1610 G1617 A1618 A2486 A2487A1608-A1612 VanDerWaalsContact O-CB 3.28Å; A1608-A1612 WeakPolarHBondContact O-CB 3.38Å; A1608-A1612 PolarHBondContact O-N 2.97Å; S1609-A1612 PolarHBondContact O-N 3.21Å; S1610-A1612 VanDerWaalsContact C-N 3.31Å; S1610-A1612 PolarHBondContact O-N 3.03Å; A1612-G1617 CarbonylContact O-C 3.54Å; A1612-G1617 WeakPolarHBondContact O-CA 3.48Å; A1612-A1618 PolarHBondContact O-N 3.25Å; A1612-A1618 VanDerWaalsContact O-N 3.14Å; A1612-A2486 HydrophobicContact CB-CB 4.09Å; A1612-A2487 HydrophobicContact CB-CB 3.85Å
1613S57.1Low56.2Low68.8 Ų68.841.7 Ų41.748%0.48128%0.275SS..Hα-helixtrans-78.4-31.9179.463.60000113.4S1609 S1610 L1611 G1615S1609-S1613 VanDerWaalsContact O-CB 3.25Å; S1609-S1613 WeakPolarHBondContact O-CB 3.44Å; S1609-S1613 PolarHBondContact O-N 3Å; S1609-S1613 VanDerWaalsContact O-N 3.12Å; S1609-S1613 PolarHBondContact O-OG 3.27Å; S1609-S1613 VanDerWaalsContact O-OG 3.09Å; S1610-S1613 WeakPolarHBondContact CA-OG 3.37Å; S1610-S1613 PolarHBondContact O-N 3.01Å; S1610-S1613 PolarHBondContact O-OG 3.01Å; S1610-S1613 VanDerWaalsContact O-OG 3.06Å; L1611-S1613 VanDerWaalsContact C-N 3.29Å; L1611-S1613 PolarHBondContact O-N 3.17Å; S1613-G1615 VanDerWaalsContact C-N 3.32Å; S1613-G1615 PolarHBondContact O-N 3.17Å
1614C53.8Low55.7Low87.4 Ų87.442.1 Ų42.159%0.59128%0.279SS*.THydrogen-bonded Turntrans-85.75.8-178.1-64.90000114.6S1610 L1611 A1616S1610-C1614 WeakPolarHBondContact O-CB 3.41Å; S1610-C1614 PolarHBondContact O-N 3.19Å; S1610-C1614 VanDerWaalsContact O-N 3.08Å; S1610-C1614 PolarHBondContact O-SG 3.11Å; S1610-C1614 VanDerWaalsContact O-SG 3.33Å; L1611-C1614 PolarHBondContact O-N 2.6Å; C1614-A1616 VanDerWaalsContact C-N 3.32Å; C1614-A1616 HydrophobicContact CB-CB 4.37Å; C1614-A1616 PolarHBondContact O-N 2.89Å; C1614-A1616 VanDerWaalsContact O-N 3.15Å
1615G48Very low54.8Low43 Ų4347 Ų4744%0.44330%0.303SS..SBendtrans74.6-31.3-179.100000115.8L1611 S1613 G1617 A1618 S1619L1611-G1615 CarbonylContact O-C 3.52Å; L1611-G1615 WeakPolarHBondContact O-CA 3.44Å; L1611-G1615 PolarHBondContact O-N 3.38Å; S1613-G1615 VanDerWaalsContact C-N 3.32Å; S1613-G1615 PolarHBondContact O-N 3.17Å; G1615-G1617 VanDerWaalsContact C-N 3.35Å; G1615-G1617 PolarHBondContact O-N 3.15Å; G1615-G1617 VanDerWaalsContact O-N 3.08Å; G1615-A1618 WeakPolarHBondContact O-CB 3.18Å; G1615-A1618 PolarHBondContact O-N 3.22Å; G1615-A1618 VanDerWaalsContact O-N 3.08Å; G1615-S1619 PolarHBondContact O-N 3.12Å; G1615-S1619 PolarHBondContact O-OG 3.39Å; G1615-S1619 VanDerWaalsContact O-OG 3.09Å
1616A46.4Very low53.7Low28.8 Ų28.848.8 Ų48.824%0.23832%0.323CS..Hα-helixtrans-68.8-6.1-175.200000113.3C1614 A1618 S1619 L1620 S1652 T1656C1614-A1616 VanDerWaalsContact C-N 3.32Å; C1614-A1616 HydrophobicContact CB-CB 4.37Å; C1614-A1616 PolarHBondContact O-N 2.89Å; C1614-A1616 VanDerWaalsContact O-N 3.15Å; A1616-A1618 PolarHBondContact O-N 3.25Å; A1616-S1619 CarbonylContact O-C 3.55Å; A1616-S1619 PolarHBondContact O-N 3.26Å; A1616-S1619 VanDerWaalsContact O-N 3.11Å; A1616-S1619 PolarHBondContact O-OG 3.16Å; A1616-S1619 VanDerWaalsContact O-OG 3.1Å; A1616-L1620 PolarHBondContact O-N 3.2Å; A1616-S1652 PolarHBondContact O-OG 3.16Å; A1616-T1656 HydrophobicContact CB-CG2 3.82Å
1617G49.2Very low52.6Low23.6 Ų23.652 Ų5224%0.24334%0.34CS..Hα-helixtrans-62.3-29.2171.100000114L1611 A1612 G1615 S1619 L1620 R1621L1611-G1617 PolarHBondContact O-N 3.24Å; A1612-G1617 CarbonylContact O-C 3.54Å; A1612-G1617 WeakPolarHBondContact O-CA 3.48Å; G1615-G1617 VanDerWaalsContact C-N 3.35Å; G1615-G1617 PolarHBondContact O-N 3.15Å; G1615-G1617 VanDerWaalsContact O-N 3.08Å; G1617-S1619 PolarHBondContact O-N 3.1Å; G1617-L1620 PolarHBondContact O-N 3.22Å; G1617-R1621 WeakPolarHBondContact O-CB 3.41Å; G1617-R1621 WeakPolarHBondContact O-CG 3.28Å; G1617-R1621 PolarHBondContact O-N 3.22Å
1618A48.4Very low51.4Low58.8 Ų58.860.9 Ų60.949%0.48637%0.371SS..Hα-helixtrans-66-42.3174.200000112A1612 G1615 A1616 L1620 R1621 T1622A1612-A1618 PolarHBondContact O-N 3.25Å; A1612-A1618 VanDerWaalsContact O-N 3.14Å; G1615-A1618 WeakPolarHBondContact O-CB 3.18Å; G1615-A1618 PolarHBondContact O-N 3.22Å; G1615-A1618 VanDerWaalsContact O-N 3.08Å; A1616-A1618 PolarHBondContact O-N 3.25Å; A1618-L1620 VanDerWaalsContact C-N 3.27Å; A1618-L1620 PolarHBondContact O-N 3.28Å; A1618-R1621 WeakPolarHBondContact O-CB 3.37Å; A1618-R1621 PolarHBondContact O-N 3.04Å; A1618-T1622 WeakPolarHBondContact O-CG2 3.22Å; A1618-T1622 PolarHBondContact O-N 3.21Å; A1618-T1622 PolarHBondContact O-OG1 3.18Å
1619S49.7Very low50Low59.8 Ų59.869.9 Ų69.942%0.41840%0.404SS..Hα-helixtrans-64.8-31.5177.2-67.40000113.3G1615 A1616 G1617 R1621 T1622 V1623 S1652G1615-S1619 PolarHBondContact O-N 3.12Å; G1615-S1619 PolarHBondContact O-OG 3.39Å; G1615-S1619 VanDerWaalsContact O-OG 3.09Å; A1616-S1619 CarbonylContact O-C 3.55Å; A1616-S1619 PolarHBondContact O-N 3.26Å; A1616-S1619 VanDerWaalsContact O-N 3.11Å; A1616-S1619 PolarHBondContact O-OG 3.16Å; A1616-S1619 VanDerWaalsContact O-OG 3.1Å; G1617-S1619 PolarHBondContact O-N 3.1Å; S1619-R1621 PolarHBondContact O-N 3.11Å; S1619-T1622 WeakPolarHBondContact CA-OG1 3.39Å; S1619-T1622 PolarHBondContact O-N 3.05Å; S1619-T1622 PolarHBondContact O-OG1 2.93Å; S1619-T1622 VanDerWaalsContact O-OG1 3.08Å; S1619-V1623 WeakPolarHBondContact O-CB 3.43Å; S1619-V1623 VanDerWaalsContact O-CG2 3.28Å; S1619-V1623 WeakPolarHBondContact O-CG2 3.35Å; S1619-V1623 PolarHBondContact O-N 3.08Å; S1619-V1623 VanDerWaalsContact O-N 3.09Å; S1619-S1652 PolarHBondContact OG-OG 2.83Å
1620L50Low48.6Very low34.8 Ų34.875.5 Ų75.518%0.18243%0.431CS..Hα-helixtrans-73.4-29.7174.8-77.4174.3000112.9M1491 L1611 A1616 G1617 A1618 V1623 S1624 T1648 A1649 F2484M1491-L1620 HydrophobicContact CE-CB 3.86Å; M1491-L1620 HydrophobicContact CE-CD2 3.95Å; M1491-L1620 HydrophobicContact CE-CG 4.38Å; L1611-L1620 HydrophobicContact CD1-CD1 4.27Å; L1611-L1620 HydrophobicContact CD1-CD2 4.21Å; L1611-L1620 HydrophobicContact CD2-CB 4.29Å; L1611-L1620 HydrophobicContact CD2-CD1 3.24Å; L1611-L1620 HydrophobicContact CD2-CD2 4.24Å; L1611-L1620 HydrophobicContact CD2-CG 4.42Å; L1611-L1620 HydrophobicContact CG-CD1 4.03Å; A1616-L1620 PolarHBondContact O-N 3.2Å; G1617-L1620 PolarHBondContact O-N 3.22Å; A1618-L1620 VanDerWaalsContact C-N 3.27Å; A1618-L1620 PolarHBondContact O-N 3.28Å; L1620-V1623 HydrophobicContact CD2-CB 4.26Å; L1620-V1623 HydrophobicContact CD2-CG1 4.29Å; L1620-V1623 PolarHBondContact O-N 3.05Å; L1620-S1624 VanDerWaalsContact O-CB 3.29Å; L1620-S1624 WeakPolarHBondContact O-CB 3.39Å; L1620-S1624 PolarHBondContact O-N 3.26Å; L1620-S1624 PolarHBondContact O-OG 3.02Å; L1620-S1624 VanDerWaalsContact O-OG 3.06Å; L1620-T1648 HydrophobicContact CD2-CG2 3.87Å; L1620-A1649 HydrophobicContact CD2-CB 4.18Å; L1620-F2484 HydrophobicContact CD1-CD1 3.56Å; L1620-F2484 HydrophobicContact CD1-CD2 4.3Å; L1620-F2484 HydrophobicContact CD1-CE1 3.24Å; L1620-F2484 HydrophobicContact CD1-CE2 4.03Å; L1620-F2484 HydrophobicContact CD1-CG 4.08Å; L1620-F2484 HydrophobicContact CD1-CZ 3.47Å; L1620-F2484 VanDerWaalsContact CD1-CZ 3.47Å
1621R49.8Very low47.4Very low127.2 Ų127.278.7 Ų78.748%0.4845%0.449SS..Hα-helixtrans-67.7-41.9170.9-94.2-178178.9166.61.7112G1617 A1618 S1619 V1623 S1624 L1625 A2487G1617-R1621 WeakPolarHBondContact O-CB 3.41Å; G1617-R1621 WeakPolarHBondContact O-CG 3.28Å; G1617-R1621 PolarHBondContact O-N 3.22Å; A1618-R1621 WeakPolarHBondContact O-CB 3.37Å; A1618-R1621 PolarHBondContact O-N 3.04Å; S1619-R1621 PolarHBondContact O-N 3.11Å; R1621-V1623 VanDerWaalsContact C-N 3.31Å; R1621-V1623 PolarHBondContact O-N 3.06Å; R1621-S1624 WeakPolarHBondContact CA-OG 3.38Å; R1621-S1624 PolarHBondContact O-N 3.02Å; R1621-S1624 PolarHBondContact O-OG 3.26Å; R1621-L1625 HydrophobicContact CG-CD1 4.1Å; R1621-L1625 VanDerWaalsContact O-CB 3.28Å; R1621-L1625 WeakPolarHBondContact O-CB 3.4Å; R1621-L1625 VanDerWaalsContact O-CG 3.22Å; R1621-L1625 WeakPolarHBondContact O-CG 3.36Å; R1621-L1625 PolarHBondContact O-N 3.16Å; R1621-A2487 WeakPolarHBondContact CD-O 3.31Å
1622T48.8Very low46.2Very low76.8 Ų76.882.6 Ų82.647%0.47148%0.476SS..Hα-helixtrans-68.1-38.6177.850.80000112A1618 S1619 S1624 L1625 G1626 L1627 M1630A1618-T1622 WeakPolarHBondContact O-CG2 3.22Å; A1618-T1622 PolarHBondContact O-N 3.21Å; A1618-T1622 PolarHBondContact O-OG1 3.18Å; S1619-T1622 WeakPolarHBondContact CA-OG1 3.39Å; S1619-T1622 PolarHBondContact O-N 3.05Å; S1619-T1622 PolarHBondContact O-OG1 2.93Å; S1619-T1622 VanDerWaalsContact O-OG1 3.08Å; T1622-S1624 PolarHBondContact O-N 3.09Å; T1622-L1625 PolarHBondContact O-N 3.06Å; T1622-G1626 VanDerWaalsContact O-CA 3.28Å; T1622-G1626 WeakPolarHBondContact O-CA 3.29Å; T1622-G1626 PolarHBondContact O-N 3.19Å; T1622-L1627 HydrophobicContact CG2-CD1 3.93Å; T1622-M1630 HydrophobicContact CG2-CB 4.35Å; T1622-M1630 HydrophobicContact CG2-SD 4.43Å
1623V47Very low44.9Very low46.6 Ų46.685.6 Ų85.628%0.28249%0.494SS..Hα-helixtrans-67.8-43.6174.8173.90000111.6I1607 L1611 S1619 L1620 R1621 L1625 G1626 L1627 I1645 T1648 A1649I1607-V1623 HydrophobicContact CG2-CG1 4.04Å; L1611-V1623 HydrophobicContact CD2-CG2 4.37Å; S1619-V1623 WeakPolarHBondContact O-CB 3.43Å; S1619-V1623 VanDerWaalsContact O-CG2 3.28Å; S1619-V1623 WeakPolarHBondContact O-CG2 3.35Å; S1619-V1623 PolarHBondContact O-N 3.08Å; S1619-V1623 VanDerWaalsContact O-N 3.09Å; L1620-V1623 HydrophobicContact CD2-CB 4.26Å; L1620-V1623 HydrophobicContact CD2-CG1 4.29Å; L1620-V1623 PolarHBondContact O-N 3.05Å; R1621-V1623 VanDerWaalsContact C-N 3.31Å; R1621-V1623 PolarHBondContact O-N 3.06Å; V1623-L1625 VanDerWaalsContact C-N 3.27Å; V1623-L1625 PolarHBondContact O-N 3.05Å; V1623-G1626 PolarHBondContact O-N 2.98Å; V1623-G1626 VanDerWaalsContact O-N 3.14Å; V1623-L1627 HydrophobicContact CG1-CD1 3.66Å; V1623-L1627 WeakPolarHBondContact O-CB 3.44Å; V1623-L1627 WeakPolarHBondContact O-CD1 3.39Å; V1623-L1627 PolarHBondContact O-N 3.1Å; V1623-I1645 HydrophobicContact CG1-CB 4.46Å; V1623-I1645 HydrophobicContact CG1-CD1 4.4Å; V1623-I1645 HydrophobicContact CG1-CG1 3.71Å; V1623-I1645 VanDerWaalsContact CG1-CG1 3.42Å; V1623-I1645 HydrophobicContact CG2-CG2 4.3Å; V1623-T1648 HydrophobicContact CG2-CG2 4.31Å; V1623-A1649 HydrophobicContact CG2-CB 4.46Å
1624S50.8Low43.8Very low53.6 Ų53.688.7 Ų88.738%0.37551%0.506SS..Hα-helixtrans-70.6-26.1-179.259.20000114.2L1620 R1621 T1622 G1626 L2488L1620-S1624 VanDerWaalsContact O-CB 3.29Å; L1620-S1624 WeakPolarHBondContact O-CB 3.39Å; L1620-S1624 PolarHBondContact O-N 3.26Å; L1620-S1624 PolarHBondContact O-OG 3.02Å; L1620-S1624 VanDerWaalsContact O-OG 3.06Å; R1621-S1624 WeakPolarHBondContact CA-OG 3.38Å; R1621-S1624 PolarHBondContact O-N 3.02Å; R1621-S1624 PolarHBondContact O-OG 3.26Å; T1622-S1624 PolarHBondContact O-N 3.09Å; S1624-G1626 VanDerWaalsContact C-N 3.26Å; S1624-G1626 PolarHBondContact O-N 2.92Å; S1624-L2488 WeakPolarHBondContact OG-CD2 3.3Å
1625L45.6Very low42.9Very low115.2 Ų115.291.5 Ų91.560%0.60352%0.515SS*.Hα-helixtrans-87.4-17.8174.7-66.1171.5000112.9R1621 T1622 V1623 L1627R1621-L1625 HydrophobicContact CG-CD1 4.1Å; R1621-L1625 VanDerWaalsContact O-CB 3.28Å; R1621-L1625 WeakPolarHBondContact O-CB 3.4Å; R1621-L1625 VanDerWaalsContact O-CG 3.22Å; R1621-L1625 WeakPolarHBondContact O-CG 3.36Å; R1621-L1625 PolarHBondContact O-N 3.16Å; T1622-L1625 PolarHBondContact O-N 3.06Å; V1623-L1625 VanDerWaalsContact C-N 3.27Å; V1623-L1625 PolarHBondContact O-N 3.05Å; L1625-L1627 HydrophobicContact CB-CB 4.42Å; L1625-L1627 HydrophobicContact CB-CD1 3.53Å; L1625-L1627 HydrophobicContact CB-CG 4.24Å; L1625-L1627 HydrophobicContact CD1-CD1 3.73Å; L1625-L1627 HydrophobicContact CG-CD1 4.25Å; L1625-L1627 PolarHBondContact O-N 3.31Å
1626G42.4Very low42.2Very low44.6 Ų44.696.8 Ų96.846%0.4653%0.532SS..Hα-helixtrans-46.6-3.9-178.700000115T1622 V1623 S1624 R1628 R1629T1622-G1626 VanDerWaalsContact O-CA 3.28Å; T1622-G1626 WeakPolarHBondContact O-CA 3.29Å; T1622-G1626 PolarHBondContact O-N 3.19Å; V1623-G1626 PolarHBondContact O-N 2.98Å; V1623-G1626 VanDerWaalsContact O-N 3.14Å; S1624-G1626 VanDerWaalsContact C-N 3.26Å; S1624-G1626 PolarHBondContact O-N 2.92Å; G1626-R1628 VanDerWaalsContact C-N 3.32Å; G1626-R1628 PolarHBondContact O-N 3.18Å; G1626-R1629 WeakPolarHBondContact O-CB 3.4Å; G1626-R1629 PolarHBondContact O-N 3.28Å
1627L41.1Very low41.5Very low71.2 Ų71.2102.2 Ų102.237%0.37356%0.556SS.*G310 helixtrans-63.718.3-175.1-104.5114.3000113I1607 T1622 V1623 L1625 R1629 M1630 A1641 I1645 P2387I1607-L1627 HydrophobicContact CD1-CD1 4.27Å; T1622-L1627 HydrophobicContact CG2-CD1 3.93Å; V1623-L1627 HydrophobicContact CG1-CD1 3.66Å; V1623-L1627 WeakPolarHBondContact O-CB 3.44Å; V1623-L1627 WeakPolarHBondContact O-CD1 3.39Å; V1623-L1627 PolarHBondContact O-N 3.1Å; L1625-L1627 HydrophobicContact CB-CB 4.42Å; L1625-L1627 HydrophobicContact CB-CD1 3.53Å; L1625-L1627 HydrophobicContact CB-CG 4.24Å; L1625-L1627 HydrophobicContact CD1-CD1 3.73Å; L1625-L1627 HydrophobicContact CG-CD1 4.25Å; L1625-L1627 PolarHBondContact O-N 3.31Å; L1627-R1629 VanDerWaalsContact C-N 3.28Å; L1627-R1629 PolarHBondContact O-N 3.25Å; L1627-R1629 VanDerWaalsContact O-N 3.11Å; L1627-M1630 PolarHBondContact O-N 3.17Å; L1627-M1630 VanDerWaalsContact O-N 3.11Å; L1627-A1641 HydrophobicContact CD2-CB 3.89Å; L1627-I1645 HydrophobicContact CD1-CD1 4.19Å; L1627-I1645 HydrophobicContact CD1-CG1 3.93Å; L1627-I1645 HydrophobicContact CD2-CD1 3.77Å; L1627-I1645 HydrophobicContact CD2-CG1 4.1Å; L1627-I1645 HydrophobicContact CG-CD1 4.43Å; L1627-P2387 HydrophobicContact CD2-CB 4.1Å; L1627-P2387 HydrophobicContact CD2-CG 3.55Å
1628R39Very low40.8Very low220.2 Ų220.2107.2 Ų107.283%0.83158%0.577SS**G310 helixtrans-63-14.3177.7-99.9-175.3-179.3-173.60.2114.6G1626 M1630 T1631G1626-R1628 VanDerWaalsContact C-N 3.32Å; G1626-R1628 PolarHBondContact O-N 3.18Å; R1628-M1630 VanDerWaalsContact C-N 3.27Å; R1628-M1630 PolarHBondContact O-N 2.7Å; R1628-T1631 PolarHBondContact O-N 3.44Å; R1628-T1631 PolarHBondContact O-OG1 3.1Å; R1628-T1631 VanDerWaalsContact O-OG1 3.12Å
1629R36Very low40.2Very low192 Ų192110.5 Ų110.573%0.72559%0.587SS**G310 helixtrans-101.11.3-173.5-143179.6-71.5-150.4-1.1114.2G1626 L1627 D2313 E2315 S2385G1626-R1629 WeakPolarHBondContact O-CB 3.4Å; G1626-R1629 PolarHBondContact O-N 3.28Å; L1627-R1629 VanDerWaalsContact C-N 3.28Å; L1627-R1629 PolarHBondContact O-N 3.25Å; L1627-R1629 VanDerWaalsContact O-N 3.11Å; R1629-D2313 IonicContact CZ-OD1 2.78Å; R1629-D2313 IonicContact CZ-OD2 3.36Å; R1629-D2313 IonicContact NH1-OD1 2.69Å; R1629-D2313 IonicContact NH1-OD2 3.28Å; R1629-D2313 PolarHBondContact NH1-OD2 2.95Å; R1629-D2313 IonicContact NH2-OD1 3.09Å; R1629-D2313 PolarHBondContact NH2-OD1 3.41Å; R1629-D2313 IonicContact NH2-OD2 2.69Å; R1629-D2313 PolarHBondContact NH2-OD2 3.36Å; R1629-D2313 VanDerWaalsContact NH2-OD2 3.1Å; R1629-E2315 VanDerWaalsContact CZ-CD 3.43Å; R1629-E2315 IonicContact CZ-OE1 2.73Å; R1629-E2315 IonicContact CZ-OE2 2.89Å; R1629-E2315 IonicContact NE-OE2 3.14Å; R1629-E2315 PolarHBondContact NE-OE2 2.95Å; R1629-E2315 IonicContact NH1-OE1 3.43Å; R1629-E2315 PolarHBondContact NH1-OE1 2.95Å; R1629-E2315 IonicContact NH1-OE2 2.78Å; R1629-E2315 PolarHBondContact NH1-OE2 2.85Å; R1629-E2315 IonicContact NH2-OE1 3.77Å; R1629-E2315 PolarHBondContact NH2-OE1 2.75Å; R1629-E2315 IonicContact NH2-OE2 3.52Å; R1629-E2315 PolarHBondContact NH2-OE2 3.28Å; R1629-S2385 PolarHBondContact NH2-O 3.04Å
1630M34Very low39.6Very low131.2 Ų131.2116.1 Ų116.165%0.64660%0.6SS**G310 helixtrans-109.420.7179.6-77.6-174.7160.500113.9T1622 L1627 R1628 I1645 A1657 L1660T1622-M1630 HydrophobicContact CG2-CB 4.35Å; T1622-M1630 HydrophobicContact CG2-SD 4.43Å; L1627-M1630 PolarHBondContact O-N 3.17Å; L1627-M1630 VanDerWaalsContact O-N 3.11Å; R1628-M1630 VanDerWaalsContact C-N 3.27Å; R1628-M1630 PolarHBondContact O-N 2.7Å; M1630-I1645 HydrophobicContact CE-CB 4.42Å; M1630-I1645 HydrophobicContact CE-CD1 4.46Å; M1630-I1645 HydrophobicContact CE-CG2 3.8Å; M1630-A1657 VanDerWaalsContact CE-CA 3.45Å; M1630-A1657 HydrophobicContact CE-CB 3.53Å; M1630-L1660 HydrophobicContact CE-CB 3.84Å; M1630-L1660 HydrophobicContact CE-CD1 3.76Å; M1630-L1660 HydrophobicContact CE-CG 4.45Å
1631T37.2Very low39.1Very low93.4 Ų93.4117.5 Ų117.557%0.57362%0.617SS**SBendtrans-103.2120.1170.352.70000109.4R1628 S1633R1628-T1631 PolarHBondContact O-N 3.44Å; R1628-T1631 PolarHBondContact O-OG1 3.1Å; R1628-T1631 VanDerWaalsContact O-OG1 3.12Å; T1631-S1633 PolarHBondContact O-N 3.09Å
1632P35.1Very low38.7Very low113 Ų113115.1 Ų115.173%0.73462%0.62SS**  trans-64.3118.5174.726.1-31.9000109.5N1634P1632-N1634 VanDerWaalsContact C-N 3.28Å; P1632-N1634 PolarHBondContact O-N 3.26Å
1633S34.5Very low38.4Very low106.8 Ų106.8114.3 Ų114.375%0.74762%0.618SS**  trans-76.173.217754.70000110.6T1631 N1635T1631-S1633 PolarHBondContact O-N 3.09Å; S1633-N1635 VanDerWaalsContact C-N 3.31Å; S1633-N1635 PolarHBondContact O-N 3.18Å; S1633-N1635 VanDerWaalsContact O-N 3.08Å
1634N33.9Very low38.4Very low134.4 Ų134.4116.9 Ų116.972%0.71963%0.63SS**  trans-91.2107.1168.2-84.8-14.9000110P1632 L1636P1632-N1634 VanDerWaalsContact C-N 3.28Å; P1632-N1634 PolarHBondContact O-N 3.26Å; N1634-L1636 PolarHBondContact O-N 3.32Å
1635N33.1Very low38.3Very low146.2 Ų146.2117.9 Ų117.978%0.78263%0.63SS**  trans-123.4119.1157.3-76.4-33.6000113.8S1633S1633-N1635 VanDerWaalsContact C-N 3.31Å; S1633-N1635 PolarHBondContact O-N 3.18Å; S1633-N1635 VanDerWaalsContact O-N 3.08Å
1636L33.8Very low38.4Very low154.2 Ų154.2114.9 Ų114.981%0.80762%0.619SS**  trans116.9123152-74151.4000115.5N1634 N1638 Y1640N1634-L1636 PolarHBondContact O-N 3.32Å; L1636-N1638 PolarHBondContact O-N 3.45Å; L1636-N1638 VanDerWaalsContact O-N 3.11Å; L1636-Y1640 HydrophobicContact CB-CD2 3.78Å; L1636-Y1640 HydrophobicContact CB-CE2 3.68Å; L1636-Y1640 WeakPolarHBondContact O-CD2 3.49Å
1637L32.3Very low38.8Very low142 Ų142116.1 Ų116.174%0.74362%0.617SS**  trans-26.1125.4-175.1-98.779.9000118.2N1639L1637-N1639 VanDerWaalsContact C-N 3.26Å; L1637-N1639 PolarHBondContact O-N 3.37Å
1638N34.8Very low39.3Very low128.2 Ų128.2116.3 Ų116.369%0.68662%0.621SS**  trans16179.8158.1-72.4-14.4000116.7L1636 Y1640L1636-N1638 PolarHBondContact O-N 3.45Å; L1636-N1638 VanDerWaalsContact O-N 3.11Å; N1638-Y1640 HydrophobicContact CB-CD2 4.12Å; N1638-Y1640 PolarHBondContact O-N 3.07Å
1639N35.9Very low39.9Very low129.4 Ų129.4106.9 Ų106.969%0.69259%0.591SS**THydrogen-bonded Turntrans-117.440168.6-77.2-22.3000116L1637 A1641 S1642 S1643L1637-N1639 VanDerWaalsContact C-N 3.26Å; L1637-N1639 PolarHBondContact O-N 3.37Å; N1639-A1641 VanDerWaalsContact C-N 3.25Å; N1639-A1641 PolarHBondContact O-N 2.88Å; N1639-S1642 PolarHBondContact O-OG 3.09Å; N1639-S1643 PolarHBondContact O-OG 3.19Å
1640Y37.4Very low40.7Very low176.2 Ų176.2100.5 Ų100.569%0.69157%0.573SS**Hα-helixtrans-82-9.7169.6-72-77.1000115.5L1636 N1638 S1642 S1643 N1644L1636-Y1640 HydrophobicContact CB-CD2 3.78Å; L1636-Y1640 HydrophobicContact CB-CE2 3.68Å; L1636-Y1640 WeakPolarHBondContact O-CD2 3.49Å; N1638-Y1640 HydrophobicContact CB-CD2 4.12Å; N1638-Y1640 PolarHBondContact O-N 3.07Å; Y1640-S1642 VanDerWaalsContact C-N 3.33Å; Y1640-S1642 PolarHBondContact O-N 3.19Å; Y1640-S1643 WeakPolarHBondContact CA-OG 3.33Å; Y1640-S1643 PolarHBondContact O-N 3.31Å; Y1640-S1643 PolarHBondContact O-OG 3.18Å; Y1640-S1643 VanDerWaalsContact O-OG 3.1Å; Y1640-N1644 WeakPolarHBondContact O-CB 3.36Å; Y1640-N1644 PolarHBondContact O-N 3.06Å
1641A39.4Very low41.6Very low65.8 Ų65.899.1 Ų99.154%0.54457%0.569SS.*Hα-helixtrans-56.3-25.6173.400000114.5L1627 N1639 N1644 I1645L1627-A1641 HydrophobicContact CD2-CB 3.89Å; N1639-A1641 VanDerWaalsContact C-N 3.25Å; N1639-A1641 PolarHBondContact O-N 2.88Å; A1641-N1644 PolarHBondContact O-N 3.24Å; A1641-I1645 WeakPolarHBondContact O-CG1 3.18Å; A1641-I1645 PolarHBondContact O-N 2.94Å
1642S41.1Very low42.4Very low75.8 Ų75.896.5 Ų96.553%0.5355%0.554SS.*Hα-helixtrans-86.3-36.7165.551.60000113.2N1639 Y1640 N1644 S1646N1639-S1642 PolarHBondContact O-OG 3.09Å; Y1640-S1642 VanDerWaalsContact C-N 3.33Å; Y1640-S1642 PolarHBondContact O-N 3.19Å; S1642-N1644 VanDerWaalsContact C-N 3.34Å; S1642-S1646 WeakPolarHBondContact O-CB 3.4Å; S1642-S1646 PolarHBondContact O-N 3.23Å; S1642-S1646 PolarHBondContact O-OG 3.3Å
1643S43.2Very low43.3Very low61.2 Ų61.292.7 Ų92.743%0.42853%0.532SS..Hα-helixtrans-61.4-22.9173.957.50000113.6N1639 Y1640 I1645 S1646 T1647N1639-S1643 PolarHBondContact O-OG 3.19Å; Y1640-S1643 WeakPolarHBondContact CA-OG 3.33Å; Y1640-S1643 PolarHBondContact O-N 3.31Å; Y1640-S1643 PolarHBondContact O-OG 3.18Å; Y1640-S1643 VanDerWaalsContact O-OG 3.1Å; S1643-I1645 VanDerWaalsContact C-N 3.34Å; S1643-I1645 PolarHBondContact O-N 3.47Å; S1643-S1646 WeakPolarHBondContact CA-OG 3.41Å; S1643-S1646 PolarHBondContact O-N 2.88Å; S1643-S1646 PolarHBondContact O-OG 3.11Å; S1643-S1646 VanDerWaalsContact O-OG 3.11Å; S1643-T1647 WeakPolarHBondContact O-CB 3.4Å; S1643-T1647 VanDerWaalsContact O-CG2 3.32Å; S1643-T1647 WeakPolarHBondContact O-CG2 3.32Å; S1643-T1647 PolarHBondContact O-N 2.98Å; S1643-T1647 PolarHBondContact O-OG1 3.18Å
1644N47Very low44.3Very low100.4 Ų100.490.8 Ų90.854%0.53752%0.519SS..Hα-helixtrans-73-23.9176.7-71.9-14000112.8Y1640 A1641 S1642 S1646 T1647 T1648Y1640-N1644 WeakPolarHBondContact O-CB 3.36Å; Y1640-N1644 PolarHBondContact O-N 3.06Å; A1641-N1644 PolarHBondContact O-N 3.24Å; S1642-N1644 VanDerWaalsContact C-N 3.34Å; N1644-S1646 VanDerWaalsContact C-N 3.34Å; N1644-T1647 VanDerWaalsContact CA-OG1 3.29Å; N1644-T1647 WeakPolarHBondContact CA-OG1 3.39Å; N1644-T1647 PolarHBondContact O-OG1 3.16Å; N1644-T1647 VanDerWaalsContact O-OG1 3.1Å; N1644-T1648 VanDerWaalsContact O-CB 3.29Å; N1644-T1648 WeakPolarHBondContact O-CB 3.3Å; N1644-T1648 WeakPolarHBondContact O-CG2 3.34Å; N1644-T1648 PolarHBondContact O-N 3.31Å; N1644-T1648 PolarHBondContact O-OG1 3.37Å
1645I47.6Very low45.1Very low75.2 Ų75.287.5 Ų87.539%0.38651%0.507SS..Hα-helixtrans-84.6-24.8173.3-62.5171.6000110.9V1623 L1627 M1630 A1641 S1643 T1647 T1648 A1649 L2447 V2451V1623-I1645 HydrophobicContact CG1-CB 4.46Å; V1623-I1645 HydrophobicContact CG1-CD1 4.4Å; V1623-I1645 HydrophobicContact CG1-CG1 3.71Å; V1623-I1645 VanDerWaalsContact CG1-CG1 3.42Å; V1623-I1645 HydrophobicContact CG2-CG2 4.3Å; L1627-I1645 HydrophobicContact CD1-CD1 4.19Å; L1627-I1645 HydrophobicContact CD1-CG1 3.93Å; L1627-I1645 HydrophobicContact CD2-CD1 3.77Å; L1627-I1645 HydrophobicContact CD2-CG1 4.1Å; L1627-I1645 HydrophobicContact CG-CD1 4.43Å; M1630-I1645 HydrophobicContact CE-CB 4.42Å; M1630-I1645 HydrophobicContact CE-CD1 4.46Å; M1630-I1645 HydrophobicContact CE-CG2 3.8Å; A1641-I1645 WeakPolarHBondContact O-CG1 3.18Å; A1641-I1645 PolarHBondContact O-N 2.94Å; S1643-I1645 VanDerWaalsContact C-N 3.34Å; S1643-I1645 PolarHBondContact O-N 3.47Å; I1645-T1647 PolarHBondContact O-N 3.3Å; I1645-T1648 WeakPolarHBondContact CA-OG1 3.37Å; I1645-T1648 PolarHBondContact O-N 2.75Å; I1645-T1648 PolarHBondContact O-OG1 3.22Å; I1645-T1648 VanDerWaalsContact O-OG1 3.06Å; I1645-A1649 WeakPolarHBondContact O-CB 3.35Å; I1645-A1649 PolarHBondContact O-N 3.18Å; I1645-A1649 VanDerWaalsContact O-N 3.11Å; I1645-L2447 HydrophobicContact CB-CD2 4.44Å; I1645-L2447 HydrophobicContact CD1-CD1 3.84Å; I1645-L2447 HydrophobicContact CD1-CD2 3.38Å; I1645-L2447 HydrophobicContact CD1-CG 4.14Å; I1645-L2447 HydrophobicContact CG1-CD2 4.47Å; I1645-L2447 HydrophobicContact CG2-CD2 4.42Å; I1645-V2451 HydrophobicContact CG2-CG2 4.14Å
1646S48.5Very low46.2Very low51.8 Ų51.882 Ų8236%0.36248%0.478SS..Hα-helixtrans-82.9-27.4174.576.80000113.4S1642 S1643 N1644 T1648 A1649 T1650S1642-S1646 WeakPolarHBondContact O-CB 3.4Å; S1642-S1646 PolarHBondContact O-N 3.23Å; S1642-S1646 PolarHBondContact O-OG 3.3Å; S1643-S1646 WeakPolarHBondContact CA-OG 3.41Å; S1643-S1646 PolarHBondContact O-N 2.88Å; S1643-S1646 PolarHBondContact O-OG 3.11Å; S1643-S1646 VanDerWaalsContact O-OG 3.11Å; N1644-S1646 VanDerWaalsContact C-N 3.34Å; S1646-T1648 PolarHBondContact O-N 3.11Å; S1646-T1648 VanDerWaalsContact O-N 3.14Å; S1646-A1649 PolarHBondContact O-N 3.15Å; S1646-T1650 WeakPolarHBondContact O-CB 3.48Å; S1646-T1650 VanDerWaalsContact O-CG2 3.32Å; S1646-T1650 WeakPolarHBondContact O-CG2 3.38Å; S1646-T1650 PolarHBondContact O-N 3Å; S1646-T1650 VanDerWaalsContact O-N 3.12Å; S1646-T1650 PolarHBondContact O-OG1 3.16Å; S1646-T1650 VanDerWaalsContact O-OG1 3.08Å; S1646-T1650 VanDerWaalsContact OG-CG2 3.25Å; S1646-T1650 WeakPolarHBondContact OG-CG2 3.46Å
1647T51Low47.1Very low70 Ų7076.2 Ų76.243%0.42945%0.453SS..Hα-helixtrans-71-35.5-178.250.80000113.5S1643 N1644 I1645 A1649 T1650 N1651S1643-T1647 WeakPolarHBondContact O-CB 3.4Å; S1643-T1647 VanDerWaalsContact O-CG2 3.32Å; S1643-T1647 WeakPolarHBondContact O-CG2 3.32Å; S1643-T1647 PolarHBondContact O-N 2.98Å; S1643-T1647 PolarHBondContact O-OG1 3.18Å; N1644-T1647 VanDerWaalsContact CA-OG1 3.29Å; N1644-T1647 WeakPolarHBondContact CA-OG1 3.39Å; N1644-T1647 PolarHBondContact O-OG1 3.16Å; N1644-T1647 VanDerWaalsContact O-OG1 3.1Å; I1645-T1647 PolarHBondContact O-N 3.3Å; T1647-A1649 VanDerWaalsContact C-N 3.34Å; T1647-A1649 PolarHBondContact O-N 3.15Å; T1647-T1650 VanDerWaalsContact C-OG1 3.28Å; T1647-T1650 VanDerWaalsContact CA-OG1 3.26Å; T1647-T1650 WeakPolarHBondContact CA-OG1 3.43Å; T1647-T1650 PolarHBondContact O-N 3.07Å; T1647-T1650 PolarHBondContact O-OG1 3.08Å; T1647-T1650 VanDerWaalsContact O-OG1 3.1Å; T1647-N1651 WeakPolarHBondContact O-CA 3.44Å; T1647-N1651 WeakPolarHBondContact O-CB 3.29Å; T1647-N1651 VanDerWaalsContact O-CG 3.25Å; T1647-N1651 PolarHBondContact O-N 3.23Å; T1647-N1651 PolarHBondContact O-ND2 3.13Å; T1647-N1651 PolarHBondContact O-OD1 3.09Å
1648T50.5Low48.2Very low74.6 Ų74.673 Ų7346%0.45844%0.442SS..Hα-helixtrans-71-39.6174.533.10000112L1620 V1623 N1644 I1645 S1646 T1650 N1651 S1652L1620-T1648 HydrophobicContact CD2-CG2 3.87Å; V1623-T1648 HydrophobicContact CG2-CG2 4.31Å; N1644-T1648 VanDerWaalsContact O-CB 3.29Å; N1644-T1648 WeakPolarHBondContact O-CB 3.3Å; N1644-T1648 WeakPolarHBondContact O-CG2 3.34Å; N1644-T1648 PolarHBondContact O-N 3.31Å; N1644-T1648 PolarHBondContact O-OG1 3.37Å; I1645-T1648 WeakPolarHBondContact CA-OG1 3.37Å; I1645-T1648 PolarHBondContact O-N 2.75Å; I1645-T1648 PolarHBondContact O-OG1 3.22Å; I1645-T1648 VanDerWaalsContact O-OG1 3.06Å; S1646-T1648 PolarHBondContact O-N 3.11Å; S1646-T1648 VanDerWaalsContact O-N 3.14Å; T1648-T1650 VanDerWaalsContact C-N 3.32Å; T1648-T1650 PolarHBondContact O-N 3.21Å; T1648-N1651 PolarHBondContact O-N 3Å; T1648-S1652 VanDerWaalsContact O-CB 3.26Å; T1648-S1652 WeakPolarHBondContact O-CB 3.46Å; T1648-S1652 PolarHBondContact O-N 3.27Å; T1648-S1652 PolarHBondContact O-OG 3.27Å; T1648-S1652 VanDerWaalsContact O-OG 3.09Å
1649A51.6Low49.1Very low23.8 Ų23.871.4 Ų71.420%0.19743%0.433CS..Hα-helixtrans-65.4-36.5173.700000112.6L1620 V1623 I1645 S1646 T1647 N1651 S1652 A1653 V2451 A2454L1620-A1649 HydrophobicContact CD2-CB 4.18Å; V1623-A1649 HydrophobicContact CG2-CB 4.46Å; I1645-A1649 WeakPolarHBondContact O-CB 3.35Å; I1645-A1649 PolarHBondContact O-N 3.18Å; I1645-A1649 VanDerWaalsContact O-N 3.11Å; S1646-A1649 PolarHBondContact O-N 3.15Å; T1647-A1649 VanDerWaalsContact C-N 3.34Å; T1647-A1649 PolarHBondContact O-N 3.15Å; A1649-N1651 VanDerWaalsContact C-N 3.32Å; A1649-N1651 PolarHBondContact O-N 3.22Å; A1649-S1652 VanDerWaalsContact CA-OG 3.31Å; A1649-S1652 WeakPolarHBondContact CA-OG 3.46Å; A1649-S1652 PolarHBondContact O-OG 3.31Å; A1649-S1652 VanDerWaalsContact O-OG 3.12Å; A1649-A1653 VanDerWaalsContact O-CB 3.31Å; A1649-A1653 WeakPolarHBondContact O-CB 3.35Å; A1649-A1653 PolarHBondContact O-N 3.2Å; A1649-V2451 HydrophobicContact CB-CG2 4.16Å; A1649-A2454 HydrophobicContact CB-CB 3.83Å
1650T54Low50Low57.4 Ų57.467 Ų6735%0.35241%0.409SS..Hα-helixtrans-72.5-34.6175.647.90000112.7S1646 T1647 T1648 A1653 S1654 A2454S1646-T1650 WeakPolarHBondContact O-CB 3.48Å; S1646-T1650 VanDerWaalsContact O-CG2 3.32Å; S1646-T1650 WeakPolarHBondContact O-CG2 3.38Å; S1646-T1650 PolarHBondContact O-N 3Å; S1646-T1650 VanDerWaalsContact O-N 3.12Å; S1646-T1650 PolarHBondContact O-OG1 3.16Å; S1646-T1650 VanDerWaalsContact O-OG1 3.08Å; S1646-T1650 VanDerWaalsContact OG-CG2 3.25Å; S1646-T1650 WeakPolarHBondContact OG-CG2 3.46Å; T1647-T1650 VanDerWaalsContact C-OG1 3.28Å; T1647-T1650 VanDerWaalsContact CA-OG1 3.26Å; T1647-T1650 WeakPolarHBondContact CA-OG1 3.43Å; T1647-T1650 PolarHBondContact O-N 3.07Å; T1647-T1650 PolarHBondContact O-OG1 3.08Å; T1647-T1650 VanDerWaalsContact O-OG1 3.1Å; T1648-T1650 VanDerWaalsContact C-N 3.32Å; T1648-T1650 PolarHBondContact O-N 3.21Å; T1650-A1653 CarbonylContact O-C 3.6Å; T1650-A1653 PolarHBondContact O-N 2.99Å; T1650-S1654 WeakPolarHBondContact O-CA 3.43Å; T1650-S1654 VanDerWaalsContact O-CB 3.28Å; T1650-S1654 WeakPolarHBondContact O-CB 3.37Å; T1650-S1654 PolarHBondContact O-N 3.18Å; T1650-S1654 VanDerWaalsContact O-N 3.08Å; T1650-S1654 PolarHBondContact O-OG 2.98Å; T1650-A2454 HydrophobicContact CG2-CB 4.25Å
1651N52.5Low50.8Low101.8 Ų101.862.9 Ų62.954%0.54441%0.406SS..Hα-helixtrans-69.5-41.7177.7-71.3-11.2000111.6T1647 T1648 A1649 A1653 S1654 S1655T1647-N1651 WeakPolarHBondContact O-CA 3.44Å; T1647-N1651 WeakPolarHBondContact O-CB 3.29Å; T1647-N1651 VanDerWaalsContact O-CG 3.25Å; T1647-N1651 PolarHBondContact O-N 3.23Å; T1647-N1651 PolarHBondContact O-ND2 3.13Å; T1647-N1651 PolarHBondContact O-OD1 3.09Å; T1648-N1651 PolarHBondContact O-N 3Å; A1649-N1651 VanDerWaalsContact C-N 3.32Å; A1649-N1651 PolarHBondContact O-N 3.22Å; N1651-A1653 PolarHBondContact O-N 3.13Å; N1651-S1654 VanDerWaalsContact CA-OG 3.27Å; N1651-S1654 WeakPolarHBondContact CA-OG 3.33Å; N1651-S1654 PolarHBondContact O-N 3.09Å; N1651-S1654 VanDerWaalsContact O-N 3.15Å; N1651-S1654 PolarHBondContact O-OG 3Å; N1651-S1654 VanDerWaalsContact O-OG 3.06Å; N1651-S1655 VanDerWaalsContact O-CB 3.26Å; N1651-S1655 WeakPolarHBondContact O-CB 3.26Å; N1651-S1655 PolarHBondContact O-N 3.18Å; N1651-S1655 PolarHBondContact O-OG 3.22Å; N1651-S1655 VanDerWaalsContact O-OG 3.05Å
1652S54.1Low51.5Low38.2 Ų38.263.4 Ų63.427%0.26740%0.403SS..Hα-helixtrans-67.6-38.7172.839.30000111.9A1616 S1619 T1648 A1649 S1654 S1655 T1656A1616-S1652 PolarHBondContact O-OG 3.16Å; S1619-S1652 PolarHBondContact OG-OG 2.83Å; T1648-S1652 VanDerWaalsContact O-CB 3.26Å; T1648-S1652 WeakPolarHBondContact O-CB 3.46Å; T1648-S1652 PolarHBondContact O-N 3.27Å; T1648-S1652 PolarHBondContact O-OG 3.27Å; T1648-S1652 VanDerWaalsContact O-OG 3.09Å; A1649-S1652 VanDerWaalsContact CA-OG 3.31Å; A1649-S1652 WeakPolarHBondContact CA-OG 3.46Å; A1649-S1652 PolarHBondContact O-OG 3.31Å; A1649-S1652 VanDerWaalsContact O-OG 3.12Å; S1652-S1654 VanDerWaalsContact C-N 3.32Å; S1652-S1654 PolarHBondContact O-N 3.13Å; S1652-S1655 PolarHBondContact O-N 3.07Å; S1652-T1656 WeakPolarHBondContact O-CB 3.26Å; S1652-T1656 VanDerWaalsContact O-CG2 3.26Å; S1652-T1656 WeakPolarHBondContact O-CG2 3.18Å; S1652-T1656 PolarHBondContact O-N 3.14Å; S1652-T1656 PolarHBondContact O-OG1 3.27Å; S1652-T1656 VanDerWaalsContact O-OG1 3.12Å
1653A54.1Low51.9Low32.8 Ų32.865.1 Ų65.127%0.27142%0.415SS..Hα-helixtrans-66.5-34.9175.400000112.8A1649 T1650 N1651 T1656 A1657 A2458 V2480 F2484A1649-A1653 VanDerWaalsContact O-CB 3.31Å; A1649-A1653 WeakPolarHBondContact O-CB 3.35Å; A1649-A1653 PolarHBondContact O-N 3.2Å; T1650-A1653 CarbonylContact O-C 3.6Å; T1650-A1653 PolarHBondContact O-N 2.99Å; N1651-A1653 PolarHBondContact O-N 3.13Å; A1653-T1656 VanDerWaalsContact C-OG1 3.29Å; A1653-T1656 VanDerWaalsContact CA-OG1 3.22Å; A1653-T1656 WeakPolarHBondContact CA-OG1 3.33Å; A1653-T1656 PolarHBondContact O-OG1 2.87Å; A1653-T1656 VanDerWaalsContact O-OG1 3.11Å; A1653-A1657 VanDerWaalsContact O-CB 3.26Å; A1653-A1657 WeakPolarHBondContact O-CB 3.4Å; A1653-A1657 PolarHBondContact O-N 3.02Å; A1653-A1657 VanDerWaalsContact O-N 3.08Å; A1653-A2458 HydrophobicContact CB-CB 3.88Å; A1653-V2480 HydrophobicContact CB-CG1 4.06Å; A1653-F2484 HydrophobicContact CB-CE2 4Å; A1653-F2484 HydrophobicContact CB-CZ 3.65Å
1654S53.9Low52.5Low66.8 Ų66.867.3 Ų67.347%0.46742%0.422SS..Hα-helixtrans-77.7-32.8174.811.70000112.5T1650 N1651 S1652 A1657 S1658T1650-S1654 WeakPolarHBondContact O-CA 3.43Å; T1650-S1654 VanDerWaalsContact O-CB 3.28Å; T1650-S1654 WeakPolarHBondContact O-CB 3.37Å; T1650-S1654 PolarHBondContact O-N 3.18Å; T1650-S1654 VanDerWaalsContact O-N 3.08Å; T1650-S1654 PolarHBondContact O-OG 2.98Å; N1651-S1654 VanDerWaalsContact CA-OG 3.27Å; N1651-S1654 WeakPolarHBondContact CA-OG 3.33Å; N1651-S1654 PolarHBondContact O-N 3.09Å; N1651-S1654 VanDerWaalsContact O-N 3.15Å; N1651-S1654 PolarHBondContact O-OG 3Å; N1651-S1654 VanDerWaalsContact O-OG 3.06Å; S1652-S1654 VanDerWaalsContact C-N 3.32Å; S1652-S1654 PolarHBondContact O-N 3.13Å; S1654-A1657 PolarHBondContact O-N 3.1Å; S1654-S1658 WeakPolarHBondContact O-CA 3.45Å; S1654-S1658 WeakPolarHBondContact O-CB 3.43Å; S1654-S1658 PolarHBondContact O-N 3.27Å
1655S51.6Low53.1Low66.6 Ų66.663.9 Ų63.947%0.46640%0.403SS..Hα-helixtrans-68.2-41.1171.6-62.50000111.7N1651 S1652 S1658 L1659N1651-S1655 VanDerWaalsContact O-CB 3.26Å; N1651-S1655 WeakPolarHBondContact O-CB 3.26Å; N1651-S1655 PolarHBondContact O-N 3.18Å; N1651-S1655 PolarHBondContact O-OG 3.22Å; N1651-S1655 VanDerWaalsContact O-OG 3.05Å; S1652-S1655 PolarHBondContact O-N 3.07Å; S1655-S1658 WeakPolarHBondContact O-CB 3.46Å; S1655-S1658 PolarHBondContact O-N 3.22Å; S1655-S1658 PolarHBondContact O-OG 3.28Å; S1655-L1659 WeakPolarHBondContact O-CB 3.32Å; S1655-L1659 WeakPolarHBondContact O-CD1 3.36Å; S1655-L1659 VanDerWaalsContact O-CG 3.31Å; S1655-L1659 WeakPolarHBondContact O-CG 3.33Å; S1655-L1659 PolarHBondContact O-N 3.05Å
1656T55.8Low53.7Low28.8 Ų28.864.7 Ų64.718%0.17741%0.405CS..Hα-helixtrans-67.8-40.8172.551.60000111.4L1611 A1616 S1652 A1653 S1658 L1659 L1660 V2480 V2483 F2484L1611-T1656 HydrophobicContact CD2-CG2 4.47Å; A1616-T1656 HydrophobicContact CB-CG2 3.82Å; S1652-T1656 WeakPolarHBondContact O-CB 3.26Å; S1652-T1656 VanDerWaalsContact O-CG2 3.26Å; S1652-T1656 WeakPolarHBondContact O-CG2 3.18Å; S1652-T1656 PolarHBondContact O-N 3.14Å; S1652-T1656 PolarHBondContact O-OG1 3.27Å; S1652-T1656 VanDerWaalsContact O-OG1 3.12Å; A1653-T1656 VanDerWaalsContact C-OG1 3.29Å; A1653-T1656 VanDerWaalsContact CA-OG1 3.22Å; A1653-T1656 WeakPolarHBondContact CA-OG1 3.33Å; A1653-T1656 PolarHBondContact O-OG1 2.87Å; A1653-T1656 VanDerWaalsContact O-OG1 3.11Å; T1656-S1658 VanDerWaalsContact C-N 3.33Å; T1656-S1658 PolarHBondContact O-N 3.36Å; T1656-L1659 WeakPolarHBondContact O-CB 3.33Å; T1656-L1659 PolarHBondContact O-N 3.15Å; T1656-L1660 VanDerWaalsContact O-CB 3.3Å; T1656-L1660 WeakPolarHBondContact O-CB 3.45Å; T1656-L1660 VanDerWaalsContact O-CD1 3.3Å; T1656-L1660 WeakPolarHBondContact O-CD1 3.4Å; T1656-L1660 VanDerWaalsContact O-CG 3.26Å; T1656-L1660 WeakPolarHBondContact O-CG 3.4Å; T1656-L1660 PolarHBondContact O-N 3.19Å; T1656-V2480 WeakPolarHBondContact OG1-CG1 3.45Å; T1656-V2483 HydrophobicContact CG2-CG1 3.87Å; T1656-F2484 HydrophobicContact CG2-CE1 4.12Å
1657A53.8Low54.2Low33.6 Ų33.668 Ų6828%0.27842%0.415SS..Hα-helixtrans-62.2-37.8173.300000113M1630 A1653 S1654 L1660 S1661 V2480M1630-A1657 VanDerWaalsContact CE-CA 3.45Å; M1630-A1657 HydrophobicContact CE-CB 3.53Å; A1653-A1657 VanDerWaalsContact O-CB 3.26Å; A1653-A1657 WeakPolarHBondContact O-CB 3.4Å; A1653-A1657 PolarHBondContact O-N 3.02Å; A1653-A1657 VanDerWaalsContact O-N 3.08Å; S1654-A1657 PolarHBondContact O-N 3.1Å; A1657-L1660 CarbonylContact O-C 3.42Å; A1657-L1660 WeakPolarHBondContact O-CB 3.31Å; A1657-L1660 PolarHBondContact O-N 3.07Å; A1657-S1661 WeakPolarHBondContact O-CB 3.27Å; A1657-S1661 PolarHBondContact O-N 3.25Å; A1657-S1661 VanDerWaalsContact O-N 3.15Å; A1657-S1661 PolarHBondContact O-OG 3.13Å; A1657-V2480 HydrophobicContact CB-CG2 4.16Å
1658S54Low54.6Low74.2 Ų74.266.5 Ų66.552%0.51941%0.407SS..Hα-helixtrans-66.8-44175.2166.80000111.5S1654 S1655 T1656 L1660 S1661S1654-S1658 WeakPolarHBondContact O-CA 3.45Å; S1654-S1658 WeakPolarHBondContact O-CB 3.43Å; S1654-S1658 PolarHBondContact O-N 3.27Å; S1655-S1658 WeakPolarHBondContact O-CB 3.46Å; S1655-S1658 PolarHBondContact O-N 3.22Å; S1655-S1658 PolarHBondContact O-OG 3.28Å; T1656-S1658 VanDerWaalsContact C-N 3.33Å; T1656-S1658 PolarHBondContact O-N 3.36Å; S1658-L1660 VanDerWaalsContact C-N 3.33Å; S1658-L1660 PolarHBondContact O-N 3.13Å; S1658-S1661 WeakPolarHBondContact CA-OG 3.43Å; S1658-S1661 PolarHBondContact O-N 3.02Å; S1658-S1661 PolarHBondContact O-OG 3.26Å
1659L53.9Low55Low94.2 Ų94.265 Ų6549%0.49340%0.399SS..Hα-helixtrans-59.1-48.7172-74.5165.3000110.7L1611 S1655 T1656 S1661 T1662 I1665L1611-L1659 HydrophobicContact CD1-CB 4.47Å; L1611-L1659 HydrophobicContact CD2-CB 3.71Å; L1611-L1659 HydrophobicContact CD2-CD1 4.02Å; L1611-L1659 HydrophobicContact CD2-CG 4.25Å; S1655-L1659 WeakPolarHBondContact O-CB 3.32Å; S1655-L1659 WeakPolarHBondContact O-CD1 3.36Å; S1655-L1659 VanDerWaalsContact O-CG 3.31Å; S1655-L1659 WeakPolarHBondContact O-CG 3.33Å; S1655-L1659 PolarHBondContact O-N 3.05Å; T1656-L1659 WeakPolarHBondContact O-CB 3.33Å; T1656-L1659 PolarHBondContact O-N 3.15Å; L1659-S1661 VanDerWaalsContact C-N 3.28Å; L1659-S1661 PolarHBondContact O-N 3.17Å; L1659-S1661 VanDerWaalsContact O-N 3.16Å; L1659-T1662 WeakPolarHBondContact O-CB 3.42Å; L1659-T1662 WeakPolarHBondContact O-CG2 3.42Å; L1659-T1662 PolarHBondContact O-N 3.09Å; L1659-T1662 VanDerWaalsContact O-N 3.16Å; L1659-T1662 PolarHBondContact O-OG1 3.15Å; L1659-I1665 HydrophobicContact CB-CD1 4.47Å; L1659-I1665 WeakPolarHBondContact O-CD1 3.31Å
1660L54.8Low55.6Low38.2 Ų38.265.1 Ų65.120%0.240%0.402CS..Hα-helixtrans-64.4-16.8179.2-69.9166.5000114.4V1603 A1606 I1607 L1611 M1630 T1656 A1657 S1658 T1662 I1665 V2478 V2480 V2483V1603-L1660 HydrophobicContact CG1-CD2 4.31Å; A1606-L1660 HydrophobicContact CB-CD2 4.22Å; I1607-L1660 HydrophobicContact CD1-CD1 4.04Å; I1607-L1660 HydrophobicContact CD1-CD2 4.5Å; I1607-L1660 HydrophobicContact CG1-CD1 3.48Å; I1607-L1660 HydrophobicContact CG1-CD2 3.69Å; I1607-L1660 HydrophobicContact CG1-CG 4.24Å; I1607-L1660 HydrophobicContact CG2-CD2 3.59Å; L1611-L1660 HydrophobicContact CD1-CD2 3.54Å; L1611-L1660 HydrophobicContact CD1-CG 3.94Å; M1630-L1660 HydrophobicContact CE-CB 3.84Å; M1630-L1660 HydrophobicContact CE-CD1 3.76Å; M1630-L1660 HydrophobicContact CE-CG 4.45Å; T1656-L1660 VanDerWaalsContact O-CB 3.3Å; T1656-L1660 WeakPolarHBondContact O-CB 3.45Å; T1656-L1660 VanDerWaalsContact O-CD1 3.3Å; T1656-L1660 WeakPolarHBondContact O-CD1 3.4Å; T1656-L1660 VanDerWaalsContact O-CG 3.26Å; T1656-L1660 WeakPolarHBondContact O-CG 3.4Å; T1656-L1660 PolarHBondContact O-N 3.19Å; A1657-L1660 CarbonylContact O-C 3.42Å; A1657-L1660 WeakPolarHBondContact O-CB 3.31Å; A1657-L1660 PolarHBondContact O-N 3.07Å; S1658-L1660 VanDerWaalsContact C-N 3.33Å; S1658-L1660 PolarHBondContact O-N 3.13Å; L1660-T1662 VanDerWaalsContact C-N 3.28Å; L1660-T1662 PolarHBondContact O-N 2.99Å; L1660-I1665 HydrophobicContact CD2-CD1 4.42Å; L1660-I1665 WeakPolarHBondContact O-CD1 3.44Å; L1660-V2478 HydrophobicContact CD2-CB 4.08Å; L1660-V2480 HydrophobicContact CD1-CG2 4.17Å; L1660-V2483 HydrophobicContact CD1-CG2 4.22Å
1661S53.4Low56Low89.6 Ų89.662.6 Ų62.663%0.62739%0.387SS*.THydrogen-bonded Turntrans-80-8175.172.90000113.9A1657 S1658 L1659A1657-S1661 WeakPolarHBondContact O-CB 3.27Å; A1657-S1661 PolarHBondContact O-N 3.25Å; A1657-S1661 VanDerWaalsContact O-N 3.15Å; A1657-S1661 PolarHBondContact O-OG 3.13Å; S1658-S1661 WeakPolarHBondContact CA-OG 3.43Å; S1658-S1661 PolarHBondContact O-N 3.02Å; S1658-S1661 PolarHBondContact O-OG 3.26Å; L1659-S1661 VanDerWaalsContact C-N 3.28Å; L1659-S1661 PolarHBondContact O-N 3.17Å; L1659-S1661 VanDerWaalsContact O-N 3.16Å
1662T54.6Low56.8Low76.6 Ų76.659.7 Ų59.747%0.4737%0.371SS..SBendtrans-81.4128.9177.1640000111.1L1659 L1660 N1664 I1665L1659-T1662 WeakPolarHBondContact O-CB 3.42Å; L1659-T1662 WeakPolarHBondContact O-CG2 3.42Å; L1659-T1662 PolarHBondContact O-N 3.09Å; L1659-T1662 VanDerWaalsContact O-N 3.16Å; L1659-T1662 PolarHBondContact O-OG1 3.15Å; L1660-T1662 VanDerWaalsContact C-N 3.28Å; L1660-T1662 PolarHBondContact O-N 2.99Å; T1662-N1664 VanDerWaalsContact C-N 3.26Å; T1662-N1664 PolarHBondContact O-N 3.06Å; T1662-N1664 VanDerWaalsContact O-N 3.15Å; T1662-I1665 WeakPolarHBondContact O-CD1 3.27Å; T1662-I1665 WeakPolarHBondContact O-CG1 3.38Å; T1662-I1665 PolarHBondContact O-N 3.13Å; T1662-I1665 WeakPolarHBondContact OG1-CD1 3.47Å; T1662-I1665 VanDerWaalsContact OG1-CG1 3.27Å; T1662-I1665 WeakPolarHBondContact OG1-CG1 3.37Å
1663S49.4Very low57.5Low111.8 Ų111.858.4 Ų58.478%0.78236%0.363SS*.THydrogen-bonded Turntrans-63.4-9.5-171.952.60000115.6
1664N57.4Low58.3Low107.4 Ų107.457.4 Ų57.457%0.57435%0.354SS*.THydrogen-bonded Turntrans-1063.8-170-67-1.3000114.2T1662 Q1666 Q1667 S1668T1662-N1664 VanDerWaalsContact C-N 3.26Å; T1662-N1664 PolarHBondContact O-N 3.06Å; T1662-N1664 VanDerWaalsContact O-N 3.15Å; N1664-Q1666 VanDerWaalsContact C-N 3.28Å; N1664-Q1666 PolarHBondContact O-N 3.19Å; N1664-Q1666 VanDerWaalsContact O-N 3.11Å; N1664-Q1667 WeakPolarHBondContact O-CA 3.41Å; N1664-Q1667 PolarHBondContact O-N 3.14Å; N1664-Q1667 VanDerWaalsContact O-N 3.11Å; N1664-S1668 PolarHBondContact O-N 3.46Å
1665I59Low59.3Low27.6 Ų27.656.8 Ų56.814%0.14234%0.343CS..G310 helixtrans-58.9-32.6-176.3-73.5164.6000112.9V1603 A1606 I1607 L1611 L1659 L1660 T1662 Q1667 S1668 V1671 P2477V1603-I1665 HydrophobicContact CG2-CD1 3.82Å; A1606-I1665 HydrophobicContact CB-CB 4.47Å; A1606-I1665 HydrophobicContact CB-CG2 3.58Å; I1607-I1665 HydrophobicContact CD1-CG2 4.21Å; I1607-I1665 HydrophobicContact CG1-CG2 4.07Å; I1607-I1665 HydrophobicContact CG2-CD1 3.95Å; I1607-I1665 HydrophobicContact CG2-CG1 4.39Å; I1607-I1665 HydrophobicContact CG2-CG2 4.12Å; L1611-I1665 HydrophobicContact CD1-CD1 3.75Å; L1611-I1665 HydrophobicContact CD2-CD1 3.86Å; L1611-I1665 HydrophobicContact CG-CD1 3.99Å; L1659-I1665 HydrophobicContact CB-CD1 4.47Å; L1659-I1665 WeakPolarHBondContact O-CD1 3.31Å; L1660-I1665 HydrophobicContact CD2-CD1 4.42Å; L1660-I1665 WeakPolarHBondContact O-CD1 3.44Å; T1662-I1665 WeakPolarHBondContact O-CD1 3.27Å; T1662-I1665 WeakPolarHBondContact O-CG1 3.38Å; T1662-I1665 PolarHBondContact O-N 3.13Å; T1662-I1665 WeakPolarHBondContact OG1-CD1 3.47Å; T1662-I1665 VanDerWaalsContact OG1-CG1 3.27Å; T1662-I1665 WeakPolarHBondContact OG1-CG1 3.37Å; I1665-Q1667 PolarHBondContact O-N 3.18Å; I1665-Q1667 VanDerWaalsContact O-N 3.11Å; I1665-S1668 WeakPolarHBondContact O-CB 3.4Å; I1665-S1668 PolarHBondContact O-N 3.09Å; I1665-S1668 PolarHBondContact O-OG 3.27Å; I1665-V1671 HydrophobicContact CG2-CG2 4.17Å; I1665-P2477 HydrophobicContact CG2-CG 4.41Å
1666Q59.1Low60.7Low92.4 Ų92.455 Ų5543%0.43233%0.327SS..G310 helixtrans-59.5-24177.7-66.8-173.4-15.800113.6S1602 V1603 I1607 N1664 L1672S1602-Q1666 WeakPolarHBondContact OG-CG 3.43Å; S1602-Q1666 PolarHBondContact OG-NE2 3.09Å; S1602-Q1666 VanDerWaalsContact OG-NE2 3.07Å; V1603-Q1666 HydrophobicContact CG1-CG 4.03Å; I1607-Q1666 HydrophobicContact CD1-CG 3.98Å; N1664-Q1666 VanDerWaalsContact C-N 3.28Å; N1664-Q1666 PolarHBondContact O-N 3.19Å; N1664-Q1666 VanDerWaalsContact O-N 3.11Å; Q1666-L1672 WeakPolarHBondContact O-CD2 3.2Å
1667Q60.4Low62.2Low122.4 Ų122.455.8 Ų55.857%0.57233%0.327SS*.G310 helixtrans-100.21.7179.2-63.6-179.8-10.300112.7N1664 I1665 L1672 W1887N1664-Q1667 WeakPolarHBondContact O-CA 3.41Å; N1664-Q1667 PolarHBondContact O-N 3.14Å; N1664-Q1667 VanDerWaalsContact O-N 3.11Å; I1665-Q1667 PolarHBondContact O-N 3.18Å; I1665-Q1667 VanDerWaalsContact O-N 3.11Å; Q1667-L1672 WeakPolarHBondContact O-CD1 3.38Å; Q1667-W1887 HydrophobicContact CB-CH2 3.83Å; Q1667-W1887 HydrophobicContact CB-CZ3 3.89Å; Q1667-W1887 WeakPolarHBondContact O-CZ3 3.37Å
1668S59.4Low63.7Low37.6 Ų37.654.5 Ų54.526%0.26332%0.316SS..  trans-66.3136.7177.565.70000110.5N1664 I1665 G1670 V1671 L1672N1664-S1668 PolarHBondContact O-N 3.46Å; I1665-S1668 WeakPolarHBondContact O-CB 3.4Å; I1665-S1668 PolarHBondContact O-N 3.09Å; I1665-S1668 PolarHBondContact O-OG 3.27Å; S1668-G1670 VanDerWaalsContact C-N 3.29Å; S1668-G1670 PolarHBondContact O-N 3.17Å; S1668-V1671 WeakPolarHBondContact O-CB 3.38Å; S1668-V1671 PolarHBondContact O-N 3.15Å; S1668-V1671 VanDerWaalsContact OG-CB 3.3Å; S1668-V1671 WeakPolarHBondContact OG-CB 3.41Å; S1668-V1671 WeakPolarHBondContact OG-CG2 3.37Å; S1668-L1672 PolarHBondContact O-N 2.98Å
1669P59Low65.2Low43.2 Ų43.252.2 Ų52.228%0.28130%0.298SS..Hα-helixtrans-59.8-35.9-172.411.7-21000113V1671 L1672 A1673 W1887 G1889 G1894P1669-V1671 VanDerWaalsContact C-N 3.34Å; P1669-V1671 PolarHBondContact O-N 2.87Å; P1669-L1672 PolarHBondContact O-N 3.04Å; P1669-A1673 VanDerWaalsContact O-CB 3.3Å; P1669-A1673 WeakPolarHBondContact O-CB 3.4Å; P1669-A1673 PolarHBondContact O-N 3.26Å; P1669-W1887 HydrophobicContact CG-CZ3 4.37Å; P1669-G1889 VanDerWaalsContact CB-O 3.29Å; P1669-G1889 WeakPolarHBondContact CB-O 3.48Å; P1669-G1894 WeakPolarHBondContact CB-O 3.43Å; P1669-G1894 WeakPolarHBondContact CG-O 3.43Å
1670G62.3Low67Low25.4 Ų25.447.9 Ų47.926%0.26228%0.275SS..Hα-helixtrans-64.5-37.2175.100000113.7S1609 S1668 A1673 A1674S1609-G1670 PolarHBondContact OG-O 3.3Å; S1668-G1670 VanDerWaalsContact C-N 3.29Å; S1668-G1670 PolarHBondContact O-N 3.17Å; G1670-A1673 WeakPolarHBondContact O-CB 3.29Å; G1670-A1673 PolarHBondContact O-N 2.93Å; G1670-A1674 VanDerWaalsContact O-CB 3.3Å; G1670-A1674 WeakPolarHBondContact O-CB 3.37Å; G1670-A1674 PolarHBondContact O-N 3.25Å
1671V63.8Low68.7Low5.6 Ų5.647.7 Ų47.73%0.03427%0.273CS..Hα-helixtrans-73-40.6177.1173.50000111.2L1605 A1606 I1607 S1609 I1665 S1668 P1669 A1674 K1675L1605-V1671 HydrophobicContact CB-CG1 4.42Å; A1606-V1671 VanDerWaalsContact CA-CG2 3.45Å; A1606-V1671 HydrophobicContact CB-CG1 4Å; A1606-V1671 HydrophobicContact CB-CG2 3.64Å; A1606-V1671 VanDerWaalsContact CB-CG2 3.44Å; A1606-V1671 WeakPolarHBondContact CB-O 3.39Å; I1607-V1671 HydrophobicContact CG1-CG1 3.71Å; I1607-V1671 HydrophobicContact CG1-CG2 4.17Å; S1609-V1671 WeakPolarHBondContact OG-CG2 3.35Å; I1665-V1671 HydrophobicContact CG2-CG2 4.17Å; S1668-V1671 WeakPolarHBondContact O-CB 3.38Å; S1668-V1671 PolarHBondContact O-N 3.15Å; S1668-V1671 VanDerWaalsContact OG-CB 3.3Å; S1668-V1671 WeakPolarHBondContact OG-CB 3.41Å; S1668-V1671 WeakPolarHBondContact OG-CG2 3.37Å; P1669-V1671 VanDerWaalsContact C-N 3.34Å; P1669-V1671 PolarHBondContact O-N 2.87Å; V1671-A1674 PolarHBondContact O-N 3.12Å; V1671-K1675 WeakPolarHBondContact O-CB 3.44Å; V1671-K1675 PolarHBondContact O-N 3.04Å; V1671-K1675 VanDerWaalsContact O-N 3.12Å
1672L68.5Low70.5Confident40.6 Ų40.643.4 Ų43.421%0.21324%0.243CC..Hα-helixtrans-62.9-45.5173.8-67.7176.5000110.9Q1666 Q1667 S1668 P1669 A1674 K1675 H1676 A1890Q1666-L1672 WeakPolarHBondContact O-CD2 3.2Å; Q1667-L1672 WeakPolarHBondContact O-CD1 3.38Å; S1668-L1672 PolarHBondContact O-N 2.98Å; P1669-L1672 PolarHBondContact O-N 3.04Å; L1672-A1674 PolarHBondContact O-N 3.35Å; L1672-K1675 WeakPolarHBondContact O-CB 3.35Å; L1672-K1675 PolarHBondContact O-N 3.3Å; L1672-K1675 VanDerWaalsContact O-N 3.15Å; L1672-H1676 WeakPolarHBondContact O-CB 3.42Å; L1672-H1676 PolarHBondContact O-CD2 3.22Å; L1672-H1676 VanDerWaalsContact O-CG 3.26Å; L1672-H1676 PolarHBondContact O-N 3.14Å; L1672-A1890 HydrophobicContact CD1-CB 4.28Å
1673A69.2Low72.2Confident11.4 Ų11.439.7 Ų39.79%0.09422%0.22CC..Hα-helixtrans-59.9-47.5175.400000112.1P1669 G1670 K1675 H1676 W1677 G1892P1669-A1673 VanDerWaalsContact O-CB 3.3Å; P1669-A1673 WeakPolarHBondContact O-CB 3.4Å; P1669-A1673 PolarHBondContact O-N 3.26Å; G1670-A1673 WeakPolarHBondContact O-CB 3.29Å; G1670-A1673 PolarHBondContact O-N 2.93Å; A1673-K1675 PolarHBondContact O-N 3.07Å; A1673-K1675 VanDerWaalsContact O-N 3.15Å; A1673-H1676 PolarHBondContact O-N 3.24Å; A1673-H1676 VanDerWaalsContact O-N 3.12Å; A1673-W1677 VanDerWaalsContact O-CD1 3.27Å; A1673-W1677 PolarHBondContact O-N 3.35Å; A1673-W1677 VanDerWaalsContact O-N 3.08Å; A1673-G1892 VanDerWaalsContact CB-CA 3.42Å; A1673-G1892 WeakPolarHBondContact CB-O 3.41Å
1674A70.4Confident74.3Confident10.4 Ų10.434.9 Ų34.99%0.08619%0.186CC..Hα-helixtrans-61.5-25177.800000113.3W1501 L1605 A1606 G1670 V1671 L1672 P1678 F2535W1501-A1674 HydrophobicContact CH2-CB 4.18Å; W1501-A1674 WeakPolarHBondContact CH2-O 3.4Å; W1501-A1674 HydrophobicContact CZ3-CB 4.41Å; L1605-A1674 HydrophobicContact CD2-CB 3.61Å; L1605-A1674 WeakPolarHBondContact CD2-O 3.48Å; A1606-A1674 HydrophobicContact CB-CB 4.02Å; G1670-A1674 VanDerWaalsContact O-CB 3.3Å; G1670-A1674 WeakPolarHBondContact O-CB 3.37Å; G1670-A1674 PolarHBondContact O-N 3.25Å; V1671-A1674 PolarHBondContact O-N 3.12Å; L1672-A1674 PolarHBondContact O-N 3.35Å; A1674-P1678 VanDerWaalsContact O-CD 3.31Å; A1674-P1678 WeakPolarHBondContact O-CD 3.43Å; A1674-P1678 VanDerWaalsContact O-CG 3.29Å; A1674-P1678 WeakPolarHBondContact O-CG 3.3Å; A1674-F2535 HydrophobicContact CB-CD2 3.96Å; A1674-F2535 HydrophobicContact CB-CE2 4.12Å
1675K75.2Confident76Confident55.6 Ų55.629.9 Ų29.924%0.24216%0.159CC..Hα-helixtrans-83-47.2171.8-178.1174.9178167.70112.7S1596 N1597 S1602 V1603 L1605 A1606 V1671 L1672 A1673 W1677 P1678S1596-K1675 PolarHBondContact O-NZ 2.9Å; N1597-K1675 PolarHBondContact OD1-NZ 3.03Å; S1602-K1675 VanDerWaalsContact OG-CE 3.29Å; S1602-K1675 WeakPolarHBondContact OG-CE 3.5Å; S1602-K1675 PolarHBondContact OG-NZ 3.06Å; V1603-K1675 HydrophobicContact CG2-CD 3.96Å; L1605-K1675 HydrophobicContact CD1-CB 4.16Å; A1606-K1675 HydrophobicContact CB-CB 3.95Å; V1671-K1675 WeakPolarHBondContact O-CB 3.44Å; V1671-K1675 PolarHBondContact O-N 3.04Å; V1671-K1675 VanDerWaalsContact O-N 3.12Å; L1672-K1675 WeakPolarHBondContact O-CB 3.35Å; L1672-K1675 PolarHBondContact O-N 3.3Å; L1672-K1675 VanDerWaalsContact O-N 3.15Å; A1673-K1675 PolarHBondContact O-N 3.07Å; A1673-K1675 VanDerWaalsContact O-N 3.15Å; K1675-W1677 PolarHBondContact O-N 3.31Å; K1675-P1678 WeakPolarHBondContact O-CD 3.46Å
1676H82Confident77.4Confident27.6 Ų27.628.7 Ų28.713%0.12815%0.153CC..Hα-helixtrans-77.8-35-168.5-68.2-49.2000114L1672 A1673 D1679 F1680 P1735 L1768 A1890L1672-H1676 WeakPolarHBondContact O-CB 3.42Å; L1672-H1676 PolarHBondContact O-CD2 3.22Å; L1672-H1676 VanDerWaalsContact O-CG 3.26Å; L1672-H1676 PolarHBondContact O-N 3.14Å; A1673-H1676 PolarHBondContact O-N 3.24Å; A1673-H1676 VanDerWaalsContact O-N 3.12Å; H1676-D1679 PolarHBondContact O-N 3.09Å; H1676-F1680 VanDerWaalsContact O-CB 3.23Å; H1676-F1680 WeakPolarHBondContact O-CB 3.31Å; H1676-F1680 PolarHBondContact O-N 2.99Å; H1676-P1735 HydrophobicContact CB-CB 4.27Å; H1676-L1768 HydrophobicContact CB-CD1 4.07Å; H1676-A1890 PolarHBondContact CD2-O 3.2Å
1677W86Confident78.9Confident47.2 Ų47.224.3 Ų24.318%0.17913%0.133CC..Hα-helixtrans-66.1-43.3-178.7-79.3105.7000114.2A1673 K1675 D1679 F1680 H1681 L1768 M1771 L1816 A2536 N2539 L2543 Q2544 A2545A1673-W1677 VanDerWaalsContact O-CD1 3.27Å; A1673-W1677 PolarHBondContact O-N 3.35Å; A1673-W1677 VanDerWaalsContact O-N 3.08Å; K1675-W1677 PolarHBondContact O-N 3.31Å; W1677-D1679 VanDerWaalsContact C-N 3.32Å; W1677-D1679 PolarHBondContact O-N 3.1Å; W1677-F1680 AromaticContact CE3-CD1 3.83Å; W1677-F1680 HydrophobicContact CE3-CD1 3.96Å; W1677-F1680 HydrophobicContact CE3-CE1 4.44Å; W1677-F1680 HydrophobicContact CE3-CG 4.42Å; W1677-F1680 AromaticContact CZ3-CD1 3.85Å; W1677-F1680 HydrophobicContact CZ3-CD1 3.92Å; W1677-F1680 AromaticContact CZ3-CE1 3.91Å; W1677-F1680 HydrophobicContact CZ3-CE1 4.1Å; W1677-F1680 HydrophobicContact CZ3-CG 4.49Å; W1677-F1680 WeakPolarHBondContact O-CB 3.35Å; W1677-F1680 PolarHBondContact O-N 3.2Å; W1677-H1681 AromaticContact CE3-CE1 3.83Å; W1677-H1681 AromaticContact CE3-NE2 3.83Å; W1677-H1681 PolarHBondContact O-CD2 3.3Å; W1677-H1681 VanDerWaalsContact O-CG 3.27Å; W1677-H1681 PolarHBondContact O-N 3.11Å; W1677-L1768 HydrophobicContact CH2-CD2 4.05Å; W1677-L1768 HydrophobicContact CZ2-CD2 3.99Å; W1677-L1768 HydrophobicContact CZ3-CD2 4.36Å; W1677-M1771 HydrophobicContact CH2-CE 4.03Å; W1677-M1771 HydrophobicContact CH2-SD 3.86Å; W1677-M1771 HydrophobicContact CZ2-SD 4.44Å; W1677-M1771 HydrophobicContact CZ3-CE 4.13Å; W1677-M1771 HydrophobicContact CZ3-SD 4.48Å; W1677-L1816 HydrophobicContact CH2-CD1 4.26Å; W1677-L1816 HydrophobicContact CH2-CD2 4.34Å; W1677-L1816 HydrophobicContact CZ2-CD1 4.02Å; W1677-L1816 HydrophobicContact CZ2-CD2 3.97Å; W1677-L1816 HydrophobicContact CZ2-CG 4.42Å; W1677-A2536 WeakPolarHBondContact CB-O 3.42Å; W1677-N2539 WeakPolarHBondContact CZ2-ND2 3.32Å; W1677-N2539 WeakPolarHBondContact CZ2-OD1 3.49Å; W1677-N2539 PolarHBondContact NE1-ND2 2.97Å; W1677-L2543 HydrophobicContact CH2-CD1 4.32Å; W1677-Q2544 HydrophobicContact CD2-CB 4.29Å; W1677-Q2544 HydrophobicContact CE3-CB 3.8Å; W1677-Q2544 HydrophobicContact CH2-CB 4.15Å; W1677-Q2544 HydrophobicContact CZ3-CB 3.73Å; W1677-A2545 HydrophobicContact CH2-CB 4.31Å; W1677-A2545 HydrophobicContact CZ3-CB 4.22Å
1678P86.3Confident80.4Confident5.8 Ų5.819.4 Ų19.44%0.03811%0.11CC..Hα-helixtrans-61.1-43.3174.5-25.235.3000113.1W1501 I1529 A1674 K1675 F1680 H1681 N1682 A2536W1501-P1678 HydrophobicContact CB-CB 3.91Å; W1501-P1678 HydrophobicContact CB-CG 3.77Å; W1501-P1678 VanDerWaalsContact CD1-CB 3.45Å; W1501-P1678 HydrophobicContact CD2-CB 4.25Å; W1501-P1678 HydrophobicContact CD2-CG 3.79Å; W1501-P1678 HydrophobicContact CE3-CG 4.24Å; W1501-P1678 HydrophobicContact CG-CB 3.68Å; W1501-P1678 HydrophobicContact CG-CG 3.48Å; W1501-P1678 VanDerWaalsContact CG-CG 3.44Å; I1529-P1678 HydrophobicContact CD1-CB 3.79Å; A1674-P1678 VanDerWaalsContact O-CD 3.31Å; A1674-P1678 WeakPolarHBondContact O-CD 3.43Å; A1674-P1678 VanDerWaalsContact O-CG 3.29Å; A1674-P1678 WeakPolarHBondContact O-CG 3.3Å; K1675-P1678 WeakPolarHBondContact O-CD 3.46Å; P1678-F1680 VanDerWaalsContact C-N 3.33Å; P1678-H1681 PolarHBondContact O-N 3.04Å; P1678-N1682 WeakPolarHBondContact O-CB 3.32Å; P1678-N1682 PolarHBondContact O-N 3.02Å; P1678-A2536 HydrophobicContact CG-CB 3.8Å
1679D85.7Confident81.8Confident26.6 Ų26.617.6 Ų17.614%0.14210%0.098CC..Hα-helixtrans-66-38.1177-69.3-13.4000111.2H1676 W1677 N1682 G1683 P1735 E1736H1676-D1679 PolarHBondContact O-N 3.09Å; W1677-D1679 VanDerWaalsContact C-N 3.32Å; W1677-D1679 PolarHBondContact O-N 3.1Å; D1679-N1682 VanDerWaalsContact O-CB 3.27Å; D1679-N1682 WeakPolarHBondContact O-CB 3.38Å; D1679-N1682 PolarHBondContact O-N 3.14Å; D1679-G1683 PolarHBondContact O-N 3.06Å; D1679-G1683 VanDerWaalsContact O-N 3.11Å; D1679-P1735 HydrophobicContact CB-CB 4.21Å; D1679-P1735 HydrophobicContact CB-CG 3.78Å; D1679-E1736 HydrophobicContact CB-CG 3.94Å
1680F90.1Very high83.3Confident2.4 Ų2.415.5 Ų15.51%0.0118%0.084CC..Hα-helixtrans-60.6-52.7171.9178.9-94.9000111.6H1676 W1677 P1678 N1682 G1683 V1684 P1735 A1738 G1739 L1742 L1768 M1771 A1772 A2545H1676-F1680 VanDerWaalsContact O-CB 3.23Å; H1676-F1680 WeakPolarHBondContact O-CB 3.31Å; H1676-F1680 PolarHBondContact O-N 2.99Å; W1677-F1680 AromaticContact CE3-CD1 3.83Å; W1677-F1680 HydrophobicContact CE3-CD1 3.96Å; W1677-F1680 HydrophobicContact CE3-CE1 4.44Å; W1677-F1680 HydrophobicContact CE3-CG 4.42Å; W1677-F1680 AromaticContact CZ3-CD1 3.85Å; W1677-F1680 HydrophobicContact CZ3-CD1 3.92Å; W1677-F1680 AromaticContact CZ3-CE1 3.91Å; W1677-F1680 HydrophobicContact CZ3-CE1 4.1Å; W1677-F1680 HydrophobicContact CZ3-CG 4.49Å; W1677-F1680 WeakPolarHBondContact O-CB 3.35Å; W1677-F1680 PolarHBondContact O-N 3.2Å; P1678-F1680 VanDerWaalsContact C-N 3.33Å; F1680-N1682 PolarHBondContact O-N 3.13Å; F1680-G1683 WeakPolarHBondContact O-CA 3.41Å; F1680-G1683 PolarHBondContact O-N 2.93Å; F1680-G1683 VanDerWaalsContact O-N 3.1Å; F1680-V1684 HydrophobicContact CD1-CG2 4.02Å; F1680-V1684 HydrophobicContact CE1-CG2 3.64Å; F1680-V1684 HydrophobicContact CZ-CG2 4Å; F1680-V1684 WeakPolarHBondContact O-CG2 3.26Å; F1680-V1684 PolarHBondContact O-N 2.96Å; F1680-P1735 WeakPolarHBondContact CA-O 3.38Å; F1680-P1735 HydrophobicContact CB-CB 4.43Å; F1680-A1738 HydrophobicContact CD2-CB 3.87Å; F1680-A1738 VanDerWaalsContact CE2-C 3.48Å; F1680-A1738 HydrophobicContact CE2-CB 3.82Å; F1680-G1739 VanDerWaalsContact CD2-N 3.35Å; F1680-G1739 VanDerWaalsContact O-CA 3.29Å; F1680-G1739 WeakPolarHBondContact O-CA 3.36Å; F1680-L1742 HydrophobicContact CE1-CD2 3.9Å; F1680-L1742 HydrophobicContact CZ-CB 4.15Å; F1680-L1742 HydrophobicContact CZ-CD2 3.58Å; F1680-L1742 HydrophobicContact CZ-CG 4.46Å; F1680-L1768 HydrophobicContact CB-CD1 4.09Å; F1680-L1768 HydrophobicContact CD2-CB 4.09Å; F1680-L1768 HydrophobicContact CD2-CD1 4.02Å; F1680-L1768 HydrophobicContact CD2-CD2 4.4Å; F1680-L1768 HydrophobicContact CD2-CG 4.41Å; F1680-L1768 HydrophobicContact CE2-CB 4.16Å; F1680-L1768 HydrophobicContact CG-CD1 4.24Å; F1680-M1771 HydrophobicContact CD2-CE 4.44Å; F1680-M1771 HydrophobicContact CE1-CE 3.78Å; F1680-M1771 HydrophobicContact CE2-CE 3.78Å; F1680-M1771 HydrophobicContact CZ-CE 3.25Å; F1680-A1772 HydrophobicContact CE2-CB 4.2Å; F1680-A1772 HydrophobicContact CZ-CB 4.43Å; F1680-A2545 HydrophobicContact CE1-CB 4.18Å; F1680-A2545 HydrophobicContact CZ-CB 4.42Å
1681H92.2Very high84.5Confident33.6 Ų33.614.6 Ų14.616%0.1567%0.074CC..Hα-helixtrans-60.1-29.6175.9-64.2-43.1000112.4V1504 I1505 W1677 P1678 V1684 A1685 Q2544 H2548V1504-H1681 HydrophobicContact CB-CB 4.44Å; V1504-H1681 VanDerWaalsContact CG1-C 3.44Å; V1504-H1681 HydrophobicContact CG1-CB 4.05Å; V1504-H1681 WeakPolarHBondContact CG1-O 3.35Å; I1505-H1681 HydrophobicContact CG1-CB 4.24Å; W1677-H1681 AromaticContact CE3-CE1 3.83Å; W1677-H1681 AromaticContact CE3-NE2 3.83Å; W1677-H1681 PolarHBondContact O-CD2 3.3Å; W1677-H1681 VanDerWaalsContact O-CG 3.27Å; W1677-H1681 PolarHBondContact O-N 3.11Å; P1678-H1681 PolarHBondContact O-N 3.04Å; H1681-V1684 PolarHBondContact O-N 3.07Å; H1681-A1685 VanDerWaalsContact O-CB 3.31Å; H1681-A1685 WeakPolarHBondContact O-CB 3.33Å; H1681-A1685 PolarHBondContact O-N 3.11Å; H1681-Q2544 PolarHBondContact CE1-O 3.13Å; H1681-H2548 AromaticContact CE1-NE2 3.68Å; H1681-H2548 AromaticContact CG-NE2 3.64Å; H1681-H2548 AromaticContact ND1-CD2 3.75Å; H1681-H2548 AromaticContact ND1-CE1 3.99Å; H1681-H2548 AromaticContact ND1-NE2 2.93Å; H1681-H2548 PolarHBondContact ND1-NE2 3.28Å
1682N90.3Very high85.4Confident0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-63.7-45.2175-166.539.7000111.2V1504 R1507 V1526 P1527 I1529 P1678 D1679 F1680 I1686 E1736V1504-N1682 VanDerWaalsContact CG1-CA 3.43Å; V1504-N1682 HydrophobicContact CG1-CB 4.06Å; V1504-N1682 VanDerWaalsContact CG1-N 3.32Å; R1507-N1682 VanDerWaalsContact CZ-OD1 3.27Å; R1507-N1682 PolarHBondContact NH1-OD1 3.14Å; R1507-N1682 PolarHBondContact NH2-O 3.26Å; R1507-N1682 PolarHBondContact NH2-OD1 3.34Å; V1526-N1682 WeakPolarHBondContact CG1-ND2 3.3Å; P1527-N1682 PolarHBondContact O-ND2 3.02Å; I1529-N1682 HydrophobicContact CD1-CB 4.24Å; I1529-N1682 HydrophobicContact CG1-CB 4.35Å; P1678-N1682 WeakPolarHBondContact O-CB 3.32Å; P1678-N1682 PolarHBondContact O-N 3.02Å; D1679-N1682 VanDerWaalsContact O-CB 3.27Å; D1679-N1682 WeakPolarHBondContact O-CB 3.38Å; D1679-N1682 PolarHBondContact O-N 3.14Å; F1680-N1682 PolarHBondContact O-N 3.13Å; N1682-I1686 WeakPolarHBondContact O-CD1 3.48Å; N1682-I1686 VanDerWaalsContact O-CG1 3.32Å; N1682-I1686 WeakPolarHBondContact O-CG1 3.32Å; N1682-I1686 PolarHBondContact O-N 2.94Å; N1682-E1736 PolarHBondContact ND2-OE1 3.11Å
1683G90.3Very high85.9Confident0 Ų018.5 Ų18.50%010%0.098CC..Hα-helixtrans-60.2-48.5170.700000112.5D1679 F1680 A1685 I1686 G1687 E1736 G1739 L1740D1679-G1683 PolarHBondContact O-N 3.06Å; D1679-G1683 VanDerWaalsContact O-N 3.11Å; F1680-G1683 WeakPolarHBondContact O-CA 3.41Å; F1680-G1683 PolarHBondContact O-N 2.93Å; F1680-G1683 VanDerWaalsContact O-N 3.1Å; G1683-A1685 VanDerWaalsContact C-N 3.35Å; G1683-A1685 PolarHBondContact O-N 3.18Å; G1683-I1686 PolarHBondContact O-N 3.21Å; G1683-I1686 VanDerWaalsContact O-N 3.1Å; G1683-G1687 PolarHBondContact O-N 3.17Å; G1683-E1736 WeakPolarHBondContact CA-O 3.34Å; G1683-G1739 CarbonylContact C-O 3.49Å; G1683-L1740 VanDerWaalsContact C-N 3.32Å; G1683-L1740 WeakPolarHBondContact O-CA 3.38Å
1684V93.5Very high86.5Confident10 Ų1018.1 Ų18.16%0.0619%0.094CC..Hα-helixtrans-58.3-48.4-179.4-178.90000111.1F1680 H1681 I1686 G1687 L1688 G1739 L1742 H2548F1680-V1684 HydrophobicContact CD1-CG2 4.02Å; F1680-V1684 HydrophobicContact CE1-CG2 3.64Å; F1680-V1684 HydrophobicContact CZ-CG2 4Å; F1680-V1684 WeakPolarHBondContact O-CG2 3.26Å; F1680-V1684 PolarHBondContact O-N 2.96Å; H1681-V1684 PolarHBondContact O-N 3.07Å; V1684-I1686 VanDerWaalsContact C-N 3.26Å; V1684-I1686 PolarHBondContact O-N 3.22Å; V1684-I1686 VanDerWaalsContact O-N 3.11Å; V1684-G1687 PolarHBondContact O-N 3.19Å; V1684-G1687 VanDerWaalsContact O-N 3.15Å; V1684-L1688 HydrophobicContact CG1-CD1 3.78Å; V1684-L1688 HydrophobicContact CG1-CG 4.08Å; V1684-L1688 VanDerWaalsContact O-CB 3.27Å; V1684-L1688 WeakPolarHBondContact O-CB 3.35Å; V1684-L1688 VanDerWaalsContact O-CG 3.3Å; V1684-L1688 WeakPolarHBondContact O-CG 3.33Å; V1684-L1688 PolarHBondContact O-N 3.12Å; V1684-G1739 VanDerWaalsContact CA-O 3.22Å; V1684-G1739 WeakPolarHBondContact CA-O 3.42Å; V1684-G1739 VanDerWaalsContact CG2-O 3.29Å; V1684-G1739 WeakPolarHBondContact CG2-O 3.34Å; V1684-G1739 VanDerWaalsContact N-C 3.27Å; V1684-G1739 PolarHBondContact N-O 3.06Å; V1684-L1742 HydrophobicContact CG2-CB 4.26Å; V1684-L1742 HydrophobicContact CG2-CD2 4.12Å; V1684-L1742 HydrophobicContact CG2-CG 4.46Å; V1684-H2548 HydrophobicContact CG1-CB 3.88Å; V1684-H2548 VanDerWaalsContact CG1-CG 3.41Å; V1684-H2548 WeakPolarHBondContact CG1-ND1 3.27Å
1685A92.2Very high86.8Confident1.8 Ų1.820.9 Ų20.92%0.01511%0.114CC..Hα-helixtrans-60.5-29.8179.500000113.2V1504 G1508 H1681 G1683 S1689V1504-A1685 HydrophobicContact CG1-CB 4.26Å; V1504-A1685 WeakPolarHBondContact O-CB 3.25Å; G1508-A1685 VanDerWaalsContact CA-CB 3.47Å; H1681-A1685 VanDerWaalsContact O-CB 3.31Å; H1681-A1685 WeakPolarHBondContact O-CB 3.33Å; H1681-A1685 PolarHBondContact O-N 3.11Å; G1683-A1685 VanDerWaalsContact C-N 3.35Å; G1683-A1685 PolarHBondContact O-N 3.18Å; A1685-S1689 PolarHBondContact O-N 2.84Å
1686I89.8Confident87.1Confident3.4 Ų3.418.7 Ų18.72%0.01710%0.104CC..Hα-helixtrans-80.3-41.9175.4-65.9-77.1000111L1424 L1524 V1526 P1527 N1682 G1683 V1684 L1688 S1689 L1740L1424-I1686 HydrophobicContact CD1-CD1 3.77Å; L1524-I1686 HydrophobicContact CD1-CG2 3.9Å; L1524-I1686 HydrophobicContact CD2-CG2 3.68Å; L1524-I1686 HydrophobicContact CG-CG2 3.57Å; L1524-I1686 VanDerWaalsContact CG-CG2 3.48Å; V1526-I1686 HydrophobicContact CB-CD1 4.16Å; V1526-I1686 HydrophobicContact CG1-CD1 3.94Å; V1526-I1686 HydrophobicContact CG1-CG1 4.39Å; V1526-I1686 HydrophobicContact CG2-CB 4.35Å; V1526-I1686 HydrophobicContact CG2-CD1 4.08Å; V1526-I1686 HydrophobicContact CG2-CG1 4.49Å; V1526-I1686 HydrophobicContact CG2-CG2 4.22Å; P1527-I1686 HydrophobicContact CG-CD1 4.3Å; N1682-I1686 WeakPolarHBondContact O-CD1 3.48Å; N1682-I1686 VanDerWaalsContact O-CG1 3.32Å; N1682-I1686 WeakPolarHBondContact O-CG1 3.32Å; N1682-I1686 PolarHBondContact O-N 2.94Å; G1683-I1686 PolarHBondContact O-N 3.21Å; G1683-I1686 VanDerWaalsContact O-N 3.1Å; V1684-I1686 VanDerWaalsContact C-N 3.26Å; V1684-I1686 PolarHBondContact O-N 3.22Å; V1684-I1686 VanDerWaalsContact O-N 3.11Å; I1686-L1688 VanDerWaalsContact C-N 3.32Å; I1686-L1688 PolarHBondContact O-N 3.04Å; I1686-S1689 WeakPolarHBondContact O-CB 3.37Å; I1686-S1689 PolarHBondContact O-N 3.24Å; I1686-S1689 VanDerWaalsContact O-N 3.12Å; I1686-S1689 PolarHBondContact O-OG 3.19Å; I1686-L1740 HydrophobicContact CG2-CD1 4.3Å
1687G89.9Confident87.2Confident0 Ų022.3 Ų22.30%013%0.125CC..Hα-helixtrans-61-40.7174.400000112.9G1683 V1684 S1689 V1690 N1747G1683-G1687 PolarHBondContact O-N 3.17Å; V1684-G1687 PolarHBondContact O-N 3.19Å; V1684-G1687 VanDerWaalsContact O-N 3.15Å; G1687-S1689 VanDerWaalsContact C-N 3.26Å; G1687-S1689 PolarHBondContact O-N 3.3Å; G1687-V1690 WeakPolarHBondContact O-CB 3.4Å; G1687-V1690 PolarHBondContact O-N 3.01Å; G1687-N1747 PolarHBondContact O-ND2 3.19Å; G1687-N1747 VanDerWaalsContact O-ND2 3.12Å
1688L92.2Very high87.2Confident18.4 Ų18.421.2 Ų21.210%0.09613%0.125CC..THydrogen-bonded Turntrans-67.1-16.7174.4-74.3-179.4000114F1512 G1513 V1684 I1686 V1690 L1746 H2548 Y2550 A2551F1512-L1688 WeakPolarHBondContact CA-O 3.32Å; F1512-L1688 HydrophobicContact CD2-CB 4.16Å; F1512-L1688 HydrophobicContact CD2-CD2 4.24Å; F1512-L1688 HydrophobicContact CD2-CG 4.4Å; F1512-L1688 VanDerWaalsContact CD2-O 3.27Å; F1512-L1688 WeakPolarHBondContact CD2-O 3.3Å; F1512-L1688 HydrophobicContact CE2-CD2 4.09Å; G1513-L1688 PolarHBondContact N-O 3.12Å; V1684-L1688 HydrophobicContact CG1-CD1 3.78Å; V1684-L1688 HydrophobicContact CG1-CG 4.08Å; V1684-L1688 VanDerWaalsContact O-CB 3.27Å; V1684-L1688 WeakPolarHBondContact O-CB 3.35Å; V1684-L1688 VanDerWaalsContact O-CG 3.3Å; V1684-L1688 WeakPolarHBondContact O-CG 3.33Å; V1684-L1688 PolarHBondContact O-N 3.12Å; I1686-L1688 VanDerWaalsContact C-N 3.32Å; I1686-L1688 PolarHBondContact O-N 3.04Å; L1688-V1690 VanDerWaalsContact C-N 3.27Å; L1688-V1690 PolarHBondContact O-N 3.21Å; L1688-L1746 HydrophobicContact CD2-CB 3.91Å; L1688-L1746 HydrophobicContact CD2-CD1 4.09Å; L1688-H2548 HydrophobicContact CD1-CB 4.41Å; L1688-Y2550 WeakPolarHBondContact CD1-OH 3.44Å; L1688-A2551 HydrophobicContact CD2-CB 3.86Å
1689S89.8Confident87.2Confident0.2 Ų0.225.7 Ų25.70%0.00115%0.153CC..THydrogen-bonded Turntrans-73.5-16.8177.775.20000113.8T1511 G1513 I1514 L1515 A1685 I1686 G1687T1511-S1689 VanDerWaalsContact O-CA 3.27Å; T1511-S1689 WeakPolarHBondContact O-CA 3.27Å; T1511-S1689 WeakPolarHBondContact O-CB 3.41Å; G1513-S1689 CarbonylContact C-O 2.98Å; I1514-S1689 PolarHBondContact N-O 3.2Å; I1514-S1689 VanDerWaalsContact N-O 3.1Å; L1515-S1689 WeakPolarHBondContact CB-O 3.39Å; L1515-S1689 WeakPolarHBondContact CD1-OG 3.38Å; L1515-S1689 WeakPolarHBondContact CG-O 3.37Å; L1515-S1689 PolarHBondContact N-O 3.06Å; A1685-S1689 PolarHBondContact O-N 2.84Å; I1686-S1689 WeakPolarHBondContact O-CB 3.37Å; I1686-S1689 PolarHBondContact O-N 3.24Å; I1686-S1689 VanDerWaalsContact O-N 3.12Å; I1686-S1689 PolarHBondContact O-OG 3.19Å; G1687-S1689 VanDerWaalsContact C-N 3.26Å; G1687-S1689 PolarHBondContact O-N 3.3Å
1690V89.4Confident87.3Confident0 Ų026.4 Ų26.40%015%0.153CC..BIsolated β-bridgetrans-77.3137.5171.8-173.10000109.7L1515 V1520 L1524 G1687 L1688 A1694 I1696 W1700 L1744 N1747 H1749L1515-V1690 HydrophobicContact CD1-CG2 4.47Å; V1520-V1690 HydrophobicContact CG1-CG1 4.48Å; V1520-V1690 HydrophobicContact CG2-CG1 4.1Å; L1524-V1690 HydrophobicContact CD2-CG2 3.99Å; G1687-V1690 WeakPolarHBondContact O-CB 3.4Å; G1687-V1690 PolarHBondContact O-N 3.01Å; L1688-V1690 VanDerWaalsContact C-N 3.27Å; L1688-V1690 PolarHBondContact O-N 3.21Å; V1690-A1694 HydrophobicContact CG1-CB 4Å; V1690-I1696 HydrophobicContact CB-CD1 4.45Å; V1690-I1696 HydrophobicContact CG1-CD1 3.35Å; V1690-I1696 HydrophobicContact CG1-CG1 4.41Å; V1690-W1700 HydrophobicContact CG2-CH2 4.31Å; V1690-L1744 HydrophobicContact CB-CD2 4.31Å; V1690-L1744 HydrophobicContact CG1-CD2 4.39Å; V1690-L1744 HydrophobicContact CG2-CD2 4.2Å; V1690-N1747 PolarHBondContact O-ND2 3.15Å; V1690-H1749 WeakPolarHBondContact CG1-NE2 3.33Å
1691S86.9Confident87.1Confident5.6 Ų5.626.3 Ų26.34%0.03915%0.153CC..  trans-70.5144.3175.2139.30000112.1L1515 D1693 A1694 H1749L1515-S1691 WeakPolarHBondContact O-CB 3.32Å; L1515-S1691 PolarHBondContact O-N 3.18Å; L1515-S1691 PolarHBondContact O-OG 3.35Å; S1691-D1693 PolarHBondContact O-N 2.91Å; S1691-D1693 PolarHBondContact OG-N 2.97Å; S1691-A1694 VanDerWaalsContact O-CB 3.26Å; S1691-A1694 WeakPolarHBondContact O-CB 3.4Å; S1691-A1694 PolarHBondContact O-N 3.03Å; S1691-A1694 VanDerWaalsContact O-N 3.08Å; S1691-A1694 PolarHBondContact OG-N 3.15Å; S1691-H1749 PolarHBondContact O-CE1 3.13Å; S1691-H1749 VanDerWaalsContact O-CE1 3.29Å; S1691-H1749 PolarHBondContact O-NE2 3.16Å
1692P84.1Confident86.8Confident56 Ų5625.8 Ų25.836%0.36415%0.152SC..THydrogen-bonded Turntrans-58.4-30.817124.3-33.6000112.7A1694 N1747 H1749P1692-A1694 VanDerWaalsContact C-N 3.26Å; P1692-A1694 PolarHBondContact O-N 3.14Å; P1692-N1747 HydrophobicContact CB-CB 4.43Å; P1692-H1749 PolarHBondContact O-CE1 3.28Å; P1692-H1749 VanDerWaalsContact O-CE1 3.24Å
1693D78.9Confident86.6Confident72.8 Ų72.832.1 Ų32.139%0.38918%0.176SC..THydrogen-bonded Turntrans-84.56.1-177.8-47.1-62.8000113.4S1395 E1397 S1691 S1695S1395-D1693 PolarHBondContact OG-O 3.46Å; E1397-D1693 HydrophobicContact CB-CB 4.36Å; E1397-D1693 HydrophobicContact CG-CB 4.41Å; E1397-D1693 WeakPolarHBondContact OE2-CB 3.28Å; E1397-D1693 VanDerWaalsContact OE2-OD2 3.11Å; S1691-D1693 PolarHBondContact O-N 2.91Å; S1691-D1693 PolarHBondContact OG-N 2.97Å; D1693-S1695 PolarHBondContact O-N 3.38Å
1694A80.9Confident86.3Confident2.6 Ų2.632.1 Ų32.12%0.02118%0.176CC..  trans-71134.3178.900000112.3E1398 V1520 V1690 S1691 P1692 I1696 H1749 K1752E1398-A1694 VanDerWaalsContact OE1-CA 3.25Å; E1398-A1694 WeakPolarHBondContact OE1-CA 3.32Å; V1520-A1694 HydrophobicContact CG2-CB 4.38Å; V1690-A1694 HydrophobicContact CG1-CB 4Å; S1691-A1694 VanDerWaalsContact O-CB 3.26Å; S1691-A1694 WeakPolarHBondContact O-CB 3.4Å; S1691-A1694 PolarHBondContact O-N 3.03Å; S1691-A1694 VanDerWaalsContact O-N 3.08Å; S1691-A1694 PolarHBondContact OG-N 3.15Å; P1692-A1694 VanDerWaalsContact C-N 3.26Å; P1692-A1694 PolarHBondContact O-N 3.14Å; A1694-I1696 VanDerWaalsContact C-N 3.32Å; A1694-I1696 HydrophobicContact CB-CD1 3.99Å; A1694-I1696 HydrophobicContact CB-CG1 3.95Å; A1694-I1696 PolarHBondContact O-N 3.14Å; A1694-H1749 PolarHBondContact O-CE1 3.08Å; A1694-H1749 VanDerWaalsContact O-CE1 3.29Å; A1694-K1752 PolarHBondContact O-NZ 3.11Å; A1694-K1752 VanDerWaalsContact O-NZ 3.11Å
1695S76.6Confident85.7Confident69.6 Ų69.631.6 Ų31.649%0.48717%0.173SC..  trans-74.362.6175.859.50000112.3E1398 D1693E1398-S1695 PolarHBondContact OE1-N 3.15Å; E1398-S1695 PolarHBondContact OE1-OG 3.47Å; E1398-S1695 VanDerWaalsContact OE1-OG 3.05Å; E1398-S1695 PolarHBondContact OE2-OG 2.87Å; D1693-S1695 PolarHBondContact O-N 3.38Å
1696I82.2Confident85.2Confident8.4 Ų8.437.1 Ų37.14%0.04319%0.194CC..  trans-92133.7178.6-60.4172.1000111V1520 V1690 A1694 W1700 I1701 L1744 H1749 K1752V1520-I1696 HydrophobicContact CG1-CD1 4.41Å; V1690-I1696 HydrophobicContact CB-CD1 4.45Å; V1690-I1696 HydrophobicContact CG1-CD1 3.35Å; V1690-I1696 HydrophobicContact CG1-CG1 4.41Å; A1694-I1696 VanDerWaalsContact C-N 3.32Å; A1694-I1696 HydrophobicContact CB-CD1 3.99Å; A1694-I1696 HydrophobicContact CB-CG1 3.95Å; A1694-I1696 PolarHBondContact O-N 3.14Å; I1696-W1700 HydrophobicContact CB-CE3 4.43Å; I1696-W1700 HydrophobicContact CD1-CE3 4.25Å; I1696-W1700 HydrophobicContact CD1-CH2 4.15Å; I1696-W1700 HydrophobicContact CD1-CZ3 3.99Å; I1696-W1700 HydrophobicContact CG1-CD2 4.45Å; I1696-W1700 HydrophobicContact CG1-CE3 4.29Å; I1696-W1700 HydrophobicContact CG1-CZ3 4.43Å; I1696-W1700 HydrophobicContact CG2-CB 4.16Å; I1696-W1700 HydrophobicContact CG2-CD2 3.87Å; I1696-W1700 HydrophobicContact CG2-CE3 3.32Å; I1696-W1700 HydrophobicContact CG2-CG 4.18Å; I1696-W1700 HydrophobicContact CG2-CZ3 3.98Å; I1696-I1701 HydrophobicContact CG2-CD1 4.17Å; I1696-I1701 HydrophobicContact CG2-CG1 3.66Å; I1696-L1744 HydrophobicContact CD1-CD2 4.39Å; I1696-H1749 VanDerWaalsContact CD1-CD2 3.46Å; I1696-H1749 WeakPolarHBondContact CD1-CD2 3.34Å; I1696-H1749 WeakPolarHBondContact CD1-NE2 3.47Å; I1696-K1752 VanDerWaalsContact O-CD 3.31Å; I1696-K1752 WeakPolarHBondContact O-CD 3.31Å; I1696-K1752 WeakPolarHBondContact O-CE 3.37Å; I1696-K1752 PolarHBondContact O-NZ 2.97Å
1697D83.9Confident84.5Confident104.8 Ų104.837.4 Ų37.456%0.5620%0.197SC*.  trans-93.2158.6173.4-56.3-19.8000112.8T1699 W1700 I1701D1697-T1699 WeakPolarHBondContact CB-OG1 3.27Å; D1697-T1699 PolarHBondContact O-N 3.16Å; D1697-T1699 WeakPolarHBondContact OD2-CB 3.35Å; D1697-T1699 PolarHBondContact OD2-OG1 2.91Å; D1697-W1700 WeakPolarHBondContact O-CB 3.37Å; D1697-W1700 PolarHBondContact O-N 3.12Å; D1697-W1700 VanDerWaalsContact O-N 3.1Å; D1697-W1700 WeakPolarHBondContact OD1-CA 3.2Å; D1697-W1700 WeakPolarHBondContact OD1-CB 3.43Å; D1697-W1700 PolarHBondContact OD1-N 3.36Å; D1697-I1701 WeakPolarHBondContact O-CG1 3.43Å; D1697-I1701 PolarHBondContact O-N 3.23Å
1698A85.4Confident83.6Confident23.2 Ų23.237.6 Ų37.619%0.19220%0.199CC..Hα-helixtrans-57.1-36.6175.900000112.8W1700 I1701 L1702 I1753A1698-W1700 PolarHBondContact O-N 3.12Å; A1698-I1701 PolarHBondContact O-N 3.08Å; A1698-I1701 VanDerWaalsContact O-N 3.17Å; A1698-L1702 WeakPolarHBondContact O-CG 3.39Å; A1698-L1702 PolarHBondContact O-N 3.07Å; A1698-I1753 HydrophobicContact CB-CG1 4.36Å
1699T86Confident82.3Confident101 Ų10137 Ų3762%0.6220%0.197SC*.Hα-helixtrans-62.5-41.5177.843.50000112.4D1697 I1701 L1702 Y1703D1697-T1699 WeakPolarHBondContact CB-OG1 3.27Å; D1697-T1699 PolarHBondContact O-N 3.16Å; D1697-T1699 WeakPolarHBondContact OD2-CB 3.35Å; D1697-T1699 PolarHBondContact OD2-OG1 2.91Å; T1699-I1701 VanDerWaalsContact C-N 3.34Å; T1699-L1702 PolarHBondContact O-N 3.16Å; T1699-Y1703 VanDerWaalsContact O-CB 3.31Å; T1699-Y1703 WeakPolarHBondContact O-CB 3.41Å; T1699-Y1703 PolarHBondContact O-N 3.21Å
1700W88.5Confident81Confident39.8 Ų39.841 Ų4115%0.15122%0.218CC..Hα-helixtrans-64.2-39.8175-178100.7000111.1V1520 P1521 T1522 L1524 V1690 I1696 D1697 A1698 Y1703 N1704 L1744V1520-W1700 HydrophobicContact CG1-CH2 4.28Å; V1520-W1700 HydrophobicContact CG1-CZ2 3.56Å; P1521-W1700 PolarHBondContact O-NE1 3.2Å; P1521-W1700 VanDerWaalsContact O-NE1 3.14Å; T1522-W1700 PolarHBondContact O-NE1 3.16Å; L1524-W1700 HydrophobicContact CB-CH2 4.22Å; L1524-W1700 HydrophobicContact CB-CZ2 4.17Å; L1524-W1700 HydrophobicContact CD2-CH2 3.97Å; L1524-W1700 HydrophobicContact CD2-CZ2 4.49Å; V1690-W1700 HydrophobicContact CG2-CH2 4.31Å; I1696-W1700 HydrophobicContact CB-CE3 4.43Å; I1696-W1700 HydrophobicContact CD1-CE3 4.25Å; I1696-W1700 HydrophobicContact CD1-CH2 4.15Å; I1696-W1700 HydrophobicContact CD1-CZ3 3.99Å; I1696-W1700 HydrophobicContact CG1-CD2 4.45Å; I1696-W1700 HydrophobicContact CG1-CE3 4.29Å; I1696-W1700 HydrophobicContact CG1-CZ3 4.43Å; I1696-W1700 HydrophobicContact CG2-CB 4.16Å; I1696-W1700 HydrophobicContact CG2-CD2 3.87Å; I1696-W1700 HydrophobicContact CG2-CE3 3.32Å; I1696-W1700 HydrophobicContact CG2-CG 4.18Å; I1696-W1700 HydrophobicContact CG2-CZ3 3.98Å; D1697-W1700 WeakPolarHBondContact O-CB 3.37Å; D1697-W1700 PolarHBondContact O-N 3.12Å; D1697-W1700 VanDerWaalsContact O-N 3.1Å; D1697-W1700 WeakPolarHBondContact OD1-CA 3.2Å; D1697-W1700 WeakPolarHBondContact OD1-CB 3.43Å; D1697-W1700 PolarHBondContact OD1-N 3.36Å; A1698-W1700 PolarHBondContact O-N 3.12Å; W1700-Y1703 PolarHBondContact O-N 3.02Å; W1700-N1704 VanDerWaalsContact CD2-ND2 3.27Å; W1700-N1704 WeakPolarHBondContact CZ2-ND2 3.25Å; W1700-N1704 HydrophobicContact CZ3-CB 4.5Å; W1700-N1704 PolarHBondContact NE1-ND2 3.13Å; W1700-N1704 WeakPolarHBondContact O-CB 3.37Å; W1700-N1704 PolarHBondContact O-N 3.15Å; W1700-N1704 PolarHBondContact O-ND2 3.29Å; W1700-L1744 HydrophobicContact CZ3-CD1 4.29Å; W1700-L1744 HydrophobicContact CZ3-CD2 4.29Å
1701I85.8Confident79.5Confident0.2 Ų0.243.8 Ų43.80%0.00124%0.235CC..Hα-helixtrans-64.5-50.3177.7-56.8167.9000110.1I1696 D1697 A1698 T1699 Y1703 N1704 C1705 L1744 H1749 I1753I1696-I1701 HydrophobicContact CG2-CD1 4.17Å; I1696-I1701 HydrophobicContact CG2-CG1 3.66Å; D1697-I1701 WeakPolarHBondContact O-CG1 3.43Å; D1697-I1701 PolarHBondContact O-N 3.23Å; A1698-I1701 PolarHBondContact O-N 3.08Å; A1698-I1701 VanDerWaalsContact O-N 3.17Å; T1699-I1701 VanDerWaalsContact C-N 3.34Å; I1701-Y1703 VanDerWaalsContact C-N 3.33Å; I1701-Y1703 PolarHBondContact O-N 3.17Å; I1701-N1704 PolarHBondContact O-N 3.27Å; I1701-C1705 VanDerWaalsContact O-CB 3.3Å; I1701-C1705 WeakPolarHBondContact O-CB 3.36Å; I1701-C1705 PolarHBondContact O-N 3.17Å; I1701-C1705 PolarHBondContact O-SG 3.22Å; I1701-C1705 VanDerWaalsContact O-SG 3.35Å; I1701-L1744 HydrophobicContact CG1-CD1 4.42Å; I1701-L1744 HydrophobicContact CG2-CD1 3.8Å; I1701-H1749 HydrophobicContact CD1-CB 4.08Å; I1701-H1749 WeakPolarHBondContact CD1-O 3.33Å; I1701-I1753 HydrophobicContact CB-CD1 4.18Å; I1701-I1753 HydrophobicContact CD1-CD1 4.12Å; I1701-I1753 HydrophobicContact CD1-CG1 3.95Å; I1701-I1753 HydrophobicContact CG2-CD1 3.69Å; I1701-I1753 HydrophobicContact CG2-CG1 4.48Å
1702L85Confident77.9Confident24.6 Ų24.645.6 Ų45.613%0.12925%0.248CC..Hα-helixtrans-59.7-42.4178.5-73.4161.8000112.1A1698 T1699 R1706 D1757 Y1761A1698-L1702 WeakPolarHBondContact O-CG 3.39Å; A1698-L1702 PolarHBondContact O-N 3.07Å; T1699-L1702 PolarHBondContact O-N 3.16Å; L1702-R1706 WeakPolarHBondContact O-CB 3.4Å; L1702-R1706 VanDerWaalsContact O-CG 3.29Å; L1702-R1706 WeakPolarHBondContact O-CG 3.27Å; L1702-R1706 PolarHBondContact O-N 3.2Å; L1702-D1757 HydrophobicContact CD1-CB 4.34Å; L1702-D1757 HydrophobicContact CD2-CB 4.18Å; L1702-Y1761 HydrophobicContact CD1-CE2 4.07Å; L1702-Y1761 HydrophobicContact CD2-CE2 3.8Å; L1702-Y1761 WeakPolarHBondContact CD2-OH 3.26Å; L1702-Y1761 HydrophobicContact CG-CE2 4.44Å
1703Y86.1Confident76.1Confident131 Ų13143.8 Ų43.851%0.51424%0.236SC..Hα-helixtrans-60.7-49.3176.6176.2-101.9000111.9Q1523 T1699 W1700 I1701 R1706 A1707Q1523-Y1703 HydrophobicContact CB-CE1 4.37Å; Q1523-Y1703 HydrophobicContact CG-CE1 4.39Å; T1699-Y1703 VanDerWaalsContact O-CB 3.31Å; T1699-Y1703 WeakPolarHBondContact O-CB 3.41Å; T1699-Y1703 PolarHBondContact O-N 3.21Å; W1700-Y1703 PolarHBondContact O-N 3.02Å; I1701-Y1703 VanDerWaalsContact C-N 3.33Å; I1701-Y1703 PolarHBondContact O-N 3.17Å; Y1703-R1706 PolarHBondContact O-N 2.99Å; Y1703-A1707 VanDerWaalsContact O-CB 3.31Å; Y1703-A1707 WeakPolarHBondContact O-CB 3.32Å; Y1703-A1707 PolarHBondContact O-N 3.25Å
1704N84.3Confident74.4Confident0.4 Ų0.444.4 Ų44.40%0.00224%0.239CC..Hα-helixtrans-71.7-36.4-177.3-77.4-73.6000112.9T1522 Q1523 L1524 W1700 I1701 A1707 A1708 L1740T1522-N1704 PolarHBondContact O-ND2 3.27Å; Q1523-N1704 WeakPolarHBondContact CA-OD1 3.3Å; L1524-N1704 PolarHBondContact N-OD1 3.14Å; W1700-N1704 VanDerWaalsContact CD2-ND2 3.27Å; W1700-N1704 WeakPolarHBondContact CZ2-ND2 3.25Å; W1700-N1704 HydrophobicContact CZ3-CB 4.5Å; W1700-N1704 PolarHBondContact NE1-ND2 3.13Å; W1700-N1704 WeakPolarHBondContact O-CB 3.37Å; W1700-N1704 PolarHBondContact O-N 3.15Å; W1700-N1704 PolarHBondContact O-ND2 3.29Å; I1701-N1704 PolarHBondContact O-N 3.27Å; N1704-A1707 PolarHBondContact O-N 3.28Å; N1704-A1708 WeakPolarHBondContact O-CB 3.36Å; N1704-A1708 PolarHBondContact O-N 3.25Å; N1704-L1740 HydrophobicContact CB-CD2 4.5Å
1705C82.3Confident72.7Confident0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-62.6-44.2171.9-71.30000111.6I1701 A1708 G1709 Q1737 L1741 Y1761I1701-C1705 VanDerWaalsContact O-CB 3.3Å; I1701-C1705 WeakPolarHBondContact O-CB 3.36Å; I1701-C1705 PolarHBondContact O-N 3.17Å; I1701-C1705 PolarHBondContact O-SG 3.22Å; I1701-C1705 VanDerWaalsContact O-SG 3.35Å; C1705-A1708 PolarHBondContact O-N 2.94Å; C1705-G1709 PolarHBondContact O-N 3.16Å; C1705-G1709 VanDerWaalsContact O-N 3.13Å; C1705-Q1737 HydrophobicContact CB-CG 4.25Å; C1705-Q1737 VanDerWaalsContact O-CD 3.26Å; C1705-Q1737 VanDerWaalsContact O-CG 3.28Å; C1705-Q1737 WeakPolarHBondContact O-CG 3.43Å; C1705-Q1737 PolarHBondContact O-NE2 3.23Å; C1705-L1741 VanDerWaalsContact SG-CD2 3.53Å; C1705-Y1761 WeakPolarHBondContact CB-OH 3.37Å
1706R80.1Confident71Confident116.2 Ų116.252.6 Ų52.644%0.43827%0.265SS..Hα-helixtrans-64.4-39.9173.9-72.9176.5-179.3171.92.1111.8L1702 Y1703 A1708 G1709 L1710 E1760L1702-R1706 WeakPolarHBondContact O-CB 3.4Å; L1702-R1706 VanDerWaalsContact O-CG 3.29Å; L1702-R1706 WeakPolarHBondContact O-CG 3.27Å; L1702-R1706 PolarHBondContact O-N 3.2Å; Y1703-R1706 PolarHBondContact O-N 2.99Å; R1706-A1708 VanDerWaalsContact C-N 3.35Å; R1706-A1708 PolarHBondContact O-N 3.04Å; R1706-G1709 PolarHBondContact O-N 3.19Å; R1706-G1709 VanDerWaalsContact O-N 3.14Å; R1706-L1710 WeakPolarHBondContact O-CG 3.38Å; R1706-L1710 PolarHBondContact O-N 3.23Å; R1706-L1710 VanDerWaalsContact O-N 3.11Å; R1706-E1760 IonicContact NH2-OE1 3.53Å; R1706-E1760 IonicContact NH2-OE2 2.94Å
1707A75.9Confident68.8Low11.6 Ų11.658.5 Ų58.510%0.09629%0.29CS..Hα-helixtrans-62.8-40.7176.700000112.7Y1703 N1704 G1709 L1710 T1711Y1703-A1707 VanDerWaalsContact O-CB 3.31Å; Y1703-A1707 WeakPolarHBondContact O-CB 3.32Å; Y1703-A1707 PolarHBondContact O-N 3.25Å; N1704-A1707 PolarHBondContact O-N 3.28Å; A1707-G1709 VanDerWaalsContact C-N 3.31Å; A1707-G1709 PolarHBondContact O-N 2.98Å; A1707-L1710 PolarHBondContact O-N 3.1Å; A1707-L1710 VanDerWaalsContact O-N 3.13Å; A1707-T1711 PolarHBondContact O-N 3.13Å; A1707-T1711 VanDerWaalsContact O-N 3.11Å; A1707-T1711 PolarHBondContact O-OG1 3.46Å
1708A72.1Confident66.9Low3 Ų358.4 Ų58.43%0.02529%0.289CS..Hα-helixtrans-67.5-27.7174.700000113.2V1526 N1704 C1705 R1706 T1711 S1734 Q1737 L1740V1526-A1708 HydrophobicContact CG2-CB 4.34Å; N1704-A1708 WeakPolarHBondContact O-CB 3.36Å; N1704-A1708 PolarHBondContact O-N 3.25Å; C1705-A1708 PolarHBondContact O-N 2.94Å; R1706-A1708 VanDerWaalsContact C-N 3.35Å; R1706-A1708 PolarHBondContact O-N 3.04Å; A1708-T1711 PolarHBondContact O-OG1 3.21Å; A1708-T1711 VanDerWaalsContact O-OG1 3.08Å; A1708-S1734 PolarHBondContact O-OG 2.97Å; A1708-S1734 VanDerWaalsContact O-OG 3.06Å; A1708-Q1737 HydrophobicContact CB-CB 4.39Å; A1708-L1740 HydrophobicContact CB-CD2 4.02Å
1709G65Low64.8Low7 Ų763.1 Ų63.17%0.07231%0.311CS..Hα-helixtrans-67.5-41.9166.900000112.3C1705 R1706 A1707 T1711 S1712 T1713 S1734C1705-G1709 PolarHBondContact O-N 3.16Å; C1705-G1709 VanDerWaalsContact O-N 3.13Å; R1706-G1709 PolarHBondContact O-N 3.19Å; R1706-G1709 VanDerWaalsContact O-N 3.14Å; A1707-G1709 VanDerWaalsContact C-N 3.31Å; A1707-G1709 PolarHBondContact O-N 2.98Å; G1709-T1711 PolarHBondContact O-N 3.28Å; G1709-S1712 WeakPolarHBondContact O-CB 3.35Å; G1709-S1712 PolarHBondContact O-N 3.02Å; G1709-T1713 WeakPolarHBondContact O-CG2 3.28Å; G1709-T1713 PolarHBondContact O-OG1 3.07Å; G1709-T1713 VanDerWaalsContact O-OG1 3.09Å; G1709-S1734 WeakPolarHBondContact CA-OG 3.5Å
1710L61.5Low62.5Low83 Ų8364.8 Ų64.844%0.43532%0.316SS..Hα-helixtrans-71.2-33.8-176.3-72.7167.6000114.2R1706 A1707 S1712 T1713 N1714R1706-L1710 WeakPolarHBondContact O-CG 3.38Å; R1706-L1710 PolarHBondContact O-N 3.23Å; R1706-L1710 VanDerWaalsContact O-N 3.11Å; A1707-L1710 PolarHBondContact O-N 3.1Å; A1707-L1710 VanDerWaalsContact O-N 3.13Å; L1710-S1712 VanDerWaalsContact C-N 3.28Å; L1710-S1712 PolarHBondContact O-N 3.23Å; L1710-T1713 WeakPolarHBondContact CA-OG1 3.25Å; L1710-T1713 PolarHBondContact O-N 3.11Å; L1710-T1713 VanDerWaalsContact O-N 3.13Å; L1710-T1713 PolarHBondContact O-OG1 3.33Å; L1710-N1714 WeakPolarHBondContact O-CB 3.26Å; L1710-N1714 PolarHBondContact O-N 3.14Å; L1710-N1714 VanDerWaalsContact O-N 3.14Å; L1710-N1714 PolarHBondContact O-ND2 3.39Å
1711T57.1Low59.9Low58.4 Ų58.473.5 Ų73.536%0.35835%0.349SS..Hα-helixtrans-60.7-35.6176.945.20000112.5A1707 A1708 G1709 T1713A1707-T1711 PolarHBondContact O-N 3.13Å; A1707-T1711 VanDerWaalsContact O-N 3.11Å; A1707-T1711 PolarHBondContact O-OG1 3.46Å; A1708-T1711 PolarHBondContact O-OG1 3.21Å; A1708-T1711 VanDerWaalsContact O-OG1 3.08Å; G1709-T1711 PolarHBondContact O-N 3.28Å; T1711-T1713 VanDerWaalsContact C-N 3.34Å
1712S53.3Low57.5Low44.8 Ų44.878.9 Ų78.931%0.31338%0.382SS..Hα-helixtrans-72.8-27.9176.1-160.60000112.8G1709 L1710G1709-S1712 WeakPolarHBondContact O-CB 3.35Å; G1709-S1712 PolarHBondContact O-N 3.02Å; L1710-S1712 VanDerWaalsContact C-N 3.28Å; L1710-S1712 PolarHBondContact O-N 3.23Å
1713T47Very low55.1Low17.6 Ų17.685.1 Ų85.111%0.10842%0.415CS..Hα-helixtrans-99.2-29.5-170610000114.7G1709 L1710 T1711 N1715 R1716 K1717 T1732G1709-T1713 WeakPolarHBondContact O-CG2 3.28Å; G1709-T1713 PolarHBondContact O-OG1 3.07Å; G1709-T1713 VanDerWaalsContact O-OG1 3.09Å; L1710-T1713 WeakPolarHBondContact CA-OG1 3.25Å; L1710-T1713 PolarHBondContact O-N 3.11Å; L1710-T1713 VanDerWaalsContact O-N 3.13Å; L1710-T1713 PolarHBondContact O-OG1 3.33Å; T1711-T1713 VanDerWaalsContact C-N 3.34Å; T1713-N1715 VanDerWaalsContact C-N 3.3Å; T1713-N1715 PolarHBondContact O-N 3.21Å; T1713-N1715 VanDerWaalsContact O-N 3.12Å; T1713-R1716 CarbonylContact O-C 3.58Å; T1713-R1716 VanDerWaalsContact O-CA 3.31Å; T1713-R1716 WeakPolarHBondContact O-CA 3.47Å; T1713-R1716 WeakPolarHBondContact O-CB 3.32Å; T1713-R1716 PolarHBondContact O-N 3.29Å; T1713-K1717 PolarHBondContact O-N 3.01Å; T1713-T1732 WeakPolarHBondContact CG2-OG1 3.37Å
1714N43.9Very low52.7Low84.6 Ų84.687.2 Ų87.245%0.45243%0.43SS..Hα-helixtrans-64.9-27.1177.9-80-23.9000112.7L1710 R1716 K1717 N1718L1710-N1714 WeakPolarHBondContact O-CB 3.26Å; L1710-N1714 PolarHBondContact O-N 3.14Å; L1710-N1714 VanDerWaalsContact O-N 3.14Å; L1710-N1714 PolarHBondContact O-ND2 3.39Å; N1714-R1716 VanDerWaalsContact C-N 3.28Å; N1714-R1716 PolarHBondContact O-N 3.11Å; N1714-K1717 PolarHBondContact O-N 2.99Å; N1714-N1718 PolarHBondContact O-N 3.37Å
1715N45.2Very low50Low78.6 Ų78.694.3 Ų94.342%0.4247%0.467SS..Hα-helixtrans-68.8-17.5170.6-76-12.1000113.5D1594 T1713D1594-N1715 PolarHBondContact OD1-ND2 3.33Å; D1594-N1715 VanDerWaalsContact OD2-CB 3.25Å; D1594-N1715 WeakPolarHBondContact OD2-CB 3.4Å; D1594-N1715 PolarHBondContact OD2-ND2 3.09Å; T1713-N1715 VanDerWaalsContact C-N 3.3Å; T1713-N1715 PolarHBondContact O-N 3.21Å; T1713-N1715 VanDerWaalsContact O-N 3.12Å
1716R39.6Very low47.7Very low167.4 Ų167.499.6 Ų99.663%0.63251%0.505SS*.Hα-helixtrans-84.8-40.5173.3-79.2179.6171173.5-4112.7T1713 N1714 N1718 N1719T1713-R1716 CarbonylContact O-C 3.58Å; T1713-R1716 VanDerWaalsContact O-CA 3.31Å; T1713-R1716 WeakPolarHBondContact O-CA 3.47Å; T1713-R1716 WeakPolarHBondContact O-CB 3.32Å; T1713-R1716 PolarHBondContact O-N 3.29Å; N1714-R1716 VanDerWaalsContact C-N 3.28Å; N1714-R1716 PolarHBondContact O-N 3.11Å; R1716-N1718 VanDerWaalsContact C-N 3.31Å; R1716-N1718 PolarHBondContact O-N 2.84Å; R1716-N1719 PolarHBondContact O-N 3.49Å
1717K37.7Very low45.3Very low132.2 Ų132.2100.7 Ų100.758%0.57552%0.524SS*.Hα-helixtrans-72.5-28.2-175-74.8-175.8176177.40114T1713 N1714 N1719 L1720 S1729T1713-K1717 PolarHBondContact O-N 3.01Å; N1714-K1717 PolarHBondContact O-N 2.99Å; K1717-N1719 VanDerWaalsContact C-N 3.29Å; K1717-N1719 PolarHBondContact O-N 3.25Å; K1717-L1720 CarbonylContact O-C 3.52Å; K1717-L1720 PolarHBondContact O-N 3.38Å; K1717-S1729 PolarHBondContact NZ-OG 3.01Å
1718N42.2Very low43.2Very low102 Ų102105.5 Ų105.555%0.54556%0.558SS.*THydrogen-bonded Turntrans-70.5-21.4178.6-76.6-13.5000113.8N1714 R1716 L1720N1714-N1718 PolarHBondContact O-N 3.37Å; R1716-N1718 VanDerWaalsContact C-N 3.31Å; R1716-N1718 PolarHBondContact O-N 2.84Å; N1718-L1720 VanDerWaalsContact C-N 3.35Å
1719N41.7Very low41.4Very low121.6 Ų121.6109.9 Ų109.965%0.6559%0.588SS**THydrogen-bonded Turntrans-91.1-1.5179.1-74.3-4.1000114.3R1716 K1717R1716-N1719 PolarHBondContact O-N 3.49Å; K1717-N1719 VanDerWaalsContact C-N 3.29Å; K1717-N1719 PolarHBondContact O-N 3.25Å
1720L38.3Very low40.3Very low137.6 Ų137.6114 Ų11472%0.7261%0.613SS**  trans-125.546.2-178.2-141.378.9000112.3K1717 N1718 T1722K1717-L1720 CarbonylContact O-C 3.52Å; K1717-L1720 PolarHBondContact O-N 3.38Å; N1718-L1720 VanDerWaalsContact C-N 3.35Å; L1720-T1722 VanDerWaalsContact C-N 3.3Å; L1720-T1722 PolarHBondContact O-N 3.19Å
1721R33.5Very low39.8Very low221.2 Ų221.2114.8 Ų114.884%0.83562%0.618SS**  trans-83.355.8173.2-83.7-174.2159.5-161.3-5112.6
1722T35.9Very low39.8Very low114.2 Ų114.2115.7 Ų115.770%0.70162%0.624SS**SBendtrans-134.599162.4540000109.4L1720 Q1724L1720-T1722 VanDerWaalsContact C-N 3.3Å; L1720-T1722 PolarHBondContact O-N 3.19Å; T1722-Q1724 PolarHBondContact O-N 3.26Å; T1722-Q1724 VanDerWaalsContact O-N 3.16Å
1723N33.4Very low40.4Very low154.6 Ų154.6114.9 Ų114.983%0.82762%0.618SS**  trans132.6114.4161.3-69.4-16.2000114D1725N1723-D1725 PolarHBondContact O-N 3.46Å
1724Q35.6Very low41.9Very low176 Ų176114.2 Ų114.282%0.82261%0.614SS**  trans-53.5134.9150.8-70.4176-11.700114T1722T1722-Q1724 PolarHBondContact O-N 3.26Å; T1722-Q1724 VanDerWaalsContact O-N 3.16Å
1725D29.6Very low43.8Very low148 Ų148110.8 Ų110.879%0.79160%0.596SS**  trans75.9119.8151.8-62.6-30.3000116.8N1723N1723-D1725 PolarHBondContact O-N 3.46Å
1726S32.6Very low45.8Very low113 Ų113107.8 Ų107.879%0.7958%0.58SS**  trans146.6126143.947.90000115.5S1728S1726-S1728 PolarHBondContact O-N 3.45Å
1727T30.5Very low48.1Very low137.4 Ų137.4100.2 Ų100.284%0.84355%0.552SS**  trans-40.2104.9160.450.90000114.8S1729T1727-S1729 PolarHBondContact O-N 3.25Å; T1727-S1729 VanDerWaalsContact O-N 3.11Å
1728S31.4Very low50.5Low113.8 Ų113.893.9 Ų93.980%0.79652%0.524SS*.  trans151.2132.9161.959.80000113.5S1726S1726-S1728 PolarHBondContact O-N 3.45Å
1729S33.6Very low52.8Low94 Ų9489.1 Ų89.166%0.65750%0.498SS*.  trans-31119.5173.862.90000114.7K1717 T1727K1717-S1729 PolarHBondContact NZ-OG 3.01Å; T1727-S1729 PolarHBondContact O-N 3.25Å; T1727-S1729 VanDerWaalsContact O-N 3.11Å
1730P41.8Very low55.2Low93.6 Ų93.683.3 Ų83.361%0.60847%0.467SS*.  trans-84.320.6173.934-31.6000113.5T1732P1730-T1732 VanDerWaalsContact C-N 3.35Å; P1730-T1732 PolarHBondContact O-N 3.38Å; P1730-T1732 VanDerWaalsContact O-N 3.09Å; P1730-T1732 PolarHBondContact O-OG1 3.03Å
1731D51.3Low57.7Low100.2 Ų100.276.7 Ų76.754%0.53643%0.433SS..  trans-87.169.9-173.8-62.5-38.7000115S1733 R1764D1731-S1733 PolarHBondContact O-N 3.07Å; D1731-S1733 VanDerWaalsContact O-N 3.11Å; D1731-R1764 IonicContact OD2-NH2 2.95Å; D1731-R1764 PolarHBondContact OD2-NH2 2.6Å
1732T56.7Low60.6Low76.8 Ų76.866.7 Ų66.747%0.47140%0.396SS..  trans-78.4106.416645.30000109.4T1713 P1730T1713-T1732 WeakPolarHBondContact CG2-OG1 3.37Å; P1730-T1732 VanDerWaalsContact C-N 3.35Å; P1730-T1732 PolarHBondContact O-N 3.38Å; P1730-T1732 VanDerWaalsContact O-N 3.09Å; P1730-T1732 PolarHBondContact O-OG1 3.03Å
1733S66.9Low63.3Low28.4 Ų28.461.2 Ų61.220%0.19936%0.362CS..  trans-59133.9-179.168.60000112.3D1731 H1766 H1769D1731-S1733 PolarHBondContact O-N 3.07Å; D1731-S1733 VanDerWaalsContact O-N 3.11Å; S1733-H1766 WeakPolarHBondContact CB-CD2 3.31Å; S1733-H1766 WeakPolarHBondContact CB-NE2 3.41Å; S1733-H1766 WeakPolarHBondContact OG-CB 3.35Å; S1733-H1766 PolarHBondContact OG-CD2 3.45Å; S1733-H1766 PolarHBondContact OG-CE1 3.37Å; S1733-H1766 PolarHBondContact OG-ND1 3.07Å; S1733-H1766 VanDerWaalsContact OG-ND1 3.15Å; S1733-H1766 PolarHBondContact OG-NE2 2.98Å; S1733-H1769 VanDerWaalsContact CB-CE1 3.44Å; S1733-H1769 WeakPolarHBondContact CB-CE1 3.41Å; S1733-H1769 PolarHBondContact OG-CE1 3.04Å
1734S79.4Confident66Low3.4 Ų3.453.9 Ų53.92%0.02432%0.323CS..  trans-107.8146.8-176.7750000112.5A1708 G1709 E1736 Q1737 A1738 H1769A1708-S1734 PolarHBondContact O-OG 2.97Å; A1708-S1734 VanDerWaalsContact O-OG 3.06Å; G1709-S1734 WeakPolarHBondContact CA-OG 3.5Å; S1734-E1736 VanDerWaalsContact CB-OE2 3.26Å; S1734-E1736 WeakPolarHBondContact CB-OE2 3.41Å; S1734-E1736 PolarHBondContact O-N 3.26Å; S1734-E1736 PolarHBondContact OG-OE2 3.32Å; S1734-Q1737 WeakPolarHBondContact O-CB 3.28Å; S1734-Q1737 PolarHBondContact O-N 3.16Å; S1734-Q1737 VanDerWaalsContact O-N 3.13Å; S1734-Q1737 VanDerWaalsContact OG-CB 3.26Å; S1734-Q1737 WeakPolarHBondContact OG-CB 3.32Å; S1734-Q1737 PolarHBondContact OG-N 3.11Å; S1734-Q1737 VanDerWaalsContact OG-N 3.13Å; S1734-A1738 PolarHBondContact O-N 3.22Å; S1734-A1738 VanDerWaalsContact O-N 3.15Å; S1734-H1769 PolarHBondContact O-CE1 3.16Å; S1734-H1769 PolarHBondContact O-NE2 3.35Å
1735P83.8Confident68.7Low12 Ų1245.5 Ų45.58%0.07828%0.284CS..Hα-helixtrans-61-32.8175.926.3-36000112H1676 D1679 F1680 Q1737 A1738 G1739 L1768H1676-P1735 HydrophobicContact CB-CB 4.27Å; D1679-P1735 HydrophobicContact CB-CB 4.21Å; D1679-P1735 HydrophobicContact CB-CG 3.78Å; F1680-P1735 WeakPolarHBondContact CA-O 3.38Å; F1680-P1735 HydrophobicContact CB-CB 4.43Å; P1735-Q1737 VanDerWaalsContact C-N 3.33Å; P1735-Q1737 PolarHBondContact O-N 3.24Å; P1735-A1738 PolarHBondContact O-N 3.18Å; P1735-G1739 PolarHBondContact O-N 3.34Å; P1735-L1768 HydrophobicContact CB-CD1 4.12Å
1736E86.1Confident71.7Confident16 Ų1641.1 Ų41.18%0.07526%0.26CS..Hα-helixtrans-63-39.2174.8-59.7176135.900112V1526 D1679 N1682 G1683 S1734 G1739 L1740V1526-E1736 HydrophobicContact CG1-CB 4.25Å; V1526-E1736 HydrophobicContact CG1-CG 4.34Å; V1526-E1736 WeakPolarHBondContact CG1-OE1 3.34Å; D1679-E1736 HydrophobicContact CB-CG 3.94Å; N1682-E1736 PolarHBondContact ND2-OE1 3.11Å; G1683-E1736 WeakPolarHBondContact CA-O 3.34Å; S1734-E1736 VanDerWaalsContact CB-OE2 3.26Å; S1734-E1736 WeakPolarHBondContact CB-OE2 3.41Å; S1734-E1736 PolarHBondContact O-N 3.26Å; S1734-E1736 PolarHBondContact OG-OE2 3.32Å; E1736-G1739 PolarHBondContact O-N 3.09Å; E1736-L1740 WeakPolarHBondContact O-CB 3.41Å; E1736-L1740 PolarHBondContact O-N 3.24Å
1737Q87.8Confident74.5Confident8.4 Ų8.436.4 Ų36.44%0.03923%0.226CC..Hα-helixtrans-65-44.8175.3175.6-179.68.100111.6C1705 A1708 S1734 P1735 G1739 L1740 L1741C1705-Q1737 HydrophobicContact CB-CG 4.25Å; C1705-Q1737 VanDerWaalsContact O-CD 3.26Å; C1705-Q1737 VanDerWaalsContact O-CG 3.28Å; C1705-Q1737 WeakPolarHBondContact O-CG 3.43Å; C1705-Q1737 PolarHBondContact O-NE2 3.23Å; A1708-Q1737 HydrophobicContact CB-CB 4.39Å; S1734-Q1737 WeakPolarHBondContact O-CB 3.28Å; S1734-Q1737 PolarHBondContact O-N 3.16Å; S1734-Q1737 VanDerWaalsContact O-N 3.13Å; S1734-Q1737 VanDerWaalsContact OG-CB 3.26Å; S1734-Q1737 WeakPolarHBondContact OG-CB 3.32Å; S1734-Q1737 PolarHBondContact OG-N 3.11Å; S1734-Q1737 VanDerWaalsContact OG-N 3.13Å; P1735-Q1737 VanDerWaalsContact C-N 3.33Å; P1735-Q1737 PolarHBondContact O-N 3.24Å; Q1737-G1739 VanDerWaalsContact C-N 3.31Å; Q1737-G1739 PolarHBondContact O-N 3.13Å; Q1737-L1740 PolarHBondContact O-N 3.14Å; Q1737-L1741 HydrophobicContact CG-CD1 4.48Å; Q1737-L1741 WeakPolarHBondContact O-CB 3.27Å; Q1737-L1741 WeakPolarHBondContact O-CG 3.47Å; Q1737-L1741 PolarHBondContact O-N 3.15Å
1738A89Confident77.2Confident0 Ų030.9 Ų30.90%020%0.197CC..Hα-helixtrans-59.7-43.2174.100000111.7F1680 S1734 P1735 L1741 L1742 L1768 H1769 A1772F1680-A1738 HydrophobicContact CD2-CB 3.87Å; F1680-A1738 VanDerWaalsContact CE2-C 3.48Å; F1680-A1738 HydrophobicContact CE2-CB 3.82Å; S1734-A1738 PolarHBondContact O-N 3.22Å; S1734-A1738 VanDerWaalsContact O-N 3.15Å; P1735-A1738 PolarHBondContact O-N 3.18Å; A1738-L1741 WeakPolarHBondContact O-CB 3.4Å; A1738-L1741 PolarHBondContact O-N 3.32Å; A1738-L1742 PolarHBondContact O-N 3.1Å; A1738-L1742 VanDerWaalsContact O-N 3.1Å; A1738-L1768 HydrophobicContact CB-CB 3.97Å; A1738-H1769 HydrophobicContact CB-CB 4.43Å; A1738-H1769 PolarHBondContact N-NE2 2.94Å; A1738-A1772 HydrophobicContact CB-CB 4.39Å; A1738-A1772 WeakPolarHBondContact O-CB 3.38Å
1739G90.9Very high79.9Confident0 Ų025.5 Ų25.50%016%0.159CC..Hα-helixtrans-61.6-47.4176.600000112.6F1680 G1683 V1684 P1735 E1736 Q1737 L1741 L1742 G1743F1680-G1739 VanDerWaalsContact CD2-N 3.35Å; F1680-G1739 VanDerWaalsContact O-CA 3.29Å; F1680-G1739 WeakPolarHBondContact O-CA 3.36Å; G1683-G1739 CarbonylContact C-O 3.49Å; V1684-G1739 VanDerWaalsContact CA-O 3.22Å; V1684-G1739 WeakPolarHBondContact CA-O 3.42Å; V1684-G1739 VanDerWaalsContact CG2-O 3.29Å; V1684-G1739 WeakPolarHBondContact CG2-O 3.34Å; V1684-G1739 VanDerWaalsContact N-C 3.27Å; V1684-G1739 PolarHBondContact N-O 3.06Å; P1735-G1739 PolarHBondContact O-N 3.34Å; E1736-G1739 PolarHBondContact O-N 3.09Å; Q1737-G1739 VanDerWaalsContact C-N 3.31Å; Q1737-G1739 PolarHBondContact O-N 3.13Å; G1739-L1741 VanDerWaalsContact C-N 3.28Å; G1739-L1741 PolarHBondContact O-N 3.06Å; G1739-L1742 PolarHBondContact O-N 3.07Å; G1739-L1742 VanDerWaalsContact O-N 3.16Å; G1739-G1743 PolarHBondContact O-N 3.12Å
1740L91.2Very high82.5Confident0 Ų021.2 Ų21.20%013%0.129CC..Hα-helixtrans-56.9-43.1177.2179.165.1000111.4L1524 G1683 I1686 N1704 A1708 E1736 Q1737 G1743 L1744L1524-L1740 HydrophobicContact CD2-CD1 3.96Å; G1683-L1740 VanDerWaalsContact C-N 3.32Å; G1683-L1740 WeakPolarHBondContact O-CA 3.38Å; I1686-L1740 HydrophobicContact CG2-CD1 4.3Å; N1704-L1740 HydrophobicContact CB-CD2 4.5Å; A1708-L1740 HydrophobicContact CB-CD2 4.02Å; E1736-L1740 WeakPolarHBondContact O-CB 3.41Å; E1736-L1740 PolarHBondContact O-N 3.24Å; Q1737-L1740 PolarHBondContact O-N 3.14Å; L1740-G1743 PolarHBondContact O-N 3.22Å; L1740-L1744 HydrophobicContact CD1-CD1 4.36Å; L1740-L1744 HydrophobicContact CD1-CG 4.42Å; L1740-L1744 HydrophobicContact CG-CD1 4.29Å; L1740-L1744 WeakPolarHBondContact O-CG 3.29Å; L1740-L1744 PolarHBondContact O-N 3.09Å
1741L91.2Very high84.6Confident0.6 Ų0.619.2 Ų19.20%0.00311%0.113CC..Hα-helixtrans-63.3-43.5177.9-152.4102.4000112.2C1705 Q1737 A1738 G1739 G1743 L1744 G1745 L1750 Y1761 A1772 V1773C1705-L1741 VanDerWaalsContact SG-CD2 3.53Å; Q1737-L1741 HydrophobicContact CG-CD1 4.48Å; Q1737-L1741 WeakPolarHBondContact O-CB 3.27Å; Q1737-L1741 WeakPolarHBondContact O-CG 3.47Å; Q1737-L1741 PolarHBondContact O-N 3.15Å; A1738-L1741 WeakPolarHBondContact O-CB 3.4Å; A1738-L1741 PolarHBondContact O-N 3.32Å; G1739-L1741 VanDerWaalsContact C-N 3.28Å; G1739-L1741 PolarHBondContact O-N 3.06Å; L1741-G1743 PolarHBondContact O-N 3.27Å; L1741-L1744 PolarHBondContact O-N 3.28Å; L1741-G1745 PolarHBondContact O-N 3.21Å; L1741-L1750 HydrophobicContact CD1-CD1 3.83Å; L1741-L1750 VanDerWaalsContact CD1-CD1 3.5Å; L1741-L1750 HydrophobicContact CD1-CD2 3.45Å; L1741-L1750 VanDerWaalsContact CD1-CD2 3.45Å; L1741-L1750 HydrophobicContact CD2-CD1 3.83Å; L1741-L1750 HydrophobicContact CD2-CD2 3.87Å; L1741-L1750 HydrophobicContact CD2-CG 4.47Å; L1741-L1750 HydrophobicContact CG-CD1 4.09Å; L1741-L1750 HydrophobicContact CG-CD2 3.92Å; L1741-Y1761 HydrophobicContact CD1-CD1 3.98Å; L1741-Y1761 HydrophobicContact CD1-CD2 3.97Å; L1741-Y1761 HydrophobicContact CD1-CE1 4.08Å; L1741-Y1761 HydrophobicContact CD1-CE2 4.13Å; L1741-Y1761 HydrophobicContact CD1-CG 4.17Å; L1741-Y1761 HydrophobicContact CD2-CD1 4.2Å; L1741-Y1761 HydrophobicContact CD2-CD2 4.38Å; L1741-Y1761 HydrophobicContact CD2-CE1 4.24Å; L1741-Y1761 HydrophobicContact CD2-CE2 4.4Å; L1741-Y1761 HydrophobicContact CD2-CG 4.22Å; L1741-A1772 HydrophobicContact CD2-CB 4.32Å; L1741-V1773 HydrophobicContact CD1-CG2 4.17Å; L1741-V1773 HydrophobicContact CD2-CB 4.22Å; L1741-V1773 HydrophobicContact CD2-CG2 3.46Å; L1741-V1773 HydrophobicContact CG-CG2 4.44Å
1742L93.4Very high86.2Confident10 Ų1019.1 Ų19.15%0.05211%0.107CC..Hα-helixtrans-63-43.9174.4178.161.4000111.4F1680 V1684 A1738 G1739 L1744 G1745 L1746 M1771 A1772 L1775 A2545F1680-L1742 HydrophobicContact CE1-CD2 3.9Å; F1680-L1742 HydrophobicContact CZ-CB 4.15Å; F1680-L1742 HydrophobicContact CZ-CD2 3.58Å; F1680-L1742 HydrophobicContact CZ-CG 4.46Å; V1684-L1742 HydrophobicContact CG2-CB 4.26Å; V1684-L1742 HydrophobicContact CG2-CD2 4.12Å; V1684-L1742 HydrophobicContact CG2-CG 4.46Å; A1738-L1742 PolarHBondContact O-N 3.1Å; A1738-L1742 VanDerWaalsContact O-N 3.1Å; G1739-L1742 PolarHBondContact O-N 3.07Å; G1739-L1742 VanDerWaalsContact O-N 3.16Å; L1742-L1744 VanDerWaalsContact C-N 3.34Å; L1742-L1744 PolarHBondContact O-N 3.26Å; L1742-G1745 CarbonylContact O-C 3.52Å; L1742-G1745 WeakPolarHBondContact O-CA 3.28Å; L1742-G1745 PolarHBondContact O-N 3.16Å; L1742-G1745 VanDerWaalsContact O-N 3.1Å; L1742-L1746 HydrophobicContact CD1-CD1 4.42Å; L1742-L1746 HydrophobicContact CD1-CD2 4.44Å; L1742-L1746 HydrophobicContact CD1-CG 4.15Å; L1742-L1746 HydrophobicContact CG-CD1 4.23Å; L1742-L1746 HydrophobicContact CG-CG 4.35Å; L1742-L1746 WeakPolarHBondContact O-CG 3.31Å; L1742-L1746 PolarHBondContact O-N 3.22Å; L1742-M1771 HydrophobicContact CD2-CE 4.27Å; L1742-A1772 HydrophobicContact CB-CB 3.81Å; L1742-L1775 HydrophobicContact CD1-CB 3.79Å; L1742-A2545 HydrophobicContact CD2-CB 4.03Å
1743G92.6Very high87.6Confident0 Ų015.9 Ų15.90%09%0.088CC..Hα-helixtrans-59.6-43.2178.100000112.7G1739 L1740 L1741 G1745 L1746 N1747G1739-G1743 PolarHBondContact O-N 3.12Å; L1740-G1743 PolarHBondContact O-N 3.22Å; L1741-G1743 PolarHBondContact O-N 3.27Å; G1743-G1745 VanDerWaalsContact C-N 3.34Å; G1743-G1745 PolarHBondContact O-N 3.04Å; G1743-L1746 PolarHBondContact O-N 3.16Å; G1743-N1747 PolarHBondContact O-N 3.28Å; G1743-N1747 PolarHBondContact O-ND2 3.37Å
1744L91.4Very high88.6Confident0.2 Ų0.217.6 Ų17.60%0.00110%0.097CC..Hα-helixtrans-68.4-31.1173.7-67.4174.1000112.8V1690 I1696 W1700 I1701 L1740 L1741 L1742 N1747 G1748 H1749V1690-L1744 HydrophobicContact CB-CD2 4.31Å; V1690-L1744 HydrophobicContact CG1-CD2 4.39Å; V1690-L1744 HydrophobicContact CG2-CD2 4.2Å; I1696-L1744 HydrophobicContact CD1-CD2 4.39Å; W1700-L1744 HydrophobicContact CZ3-CD1 4.29Å; W1700-L1744 HydrophobicContact CZ3-CD2 4.29Å; I1701-L1744 HydrophobicContact CG1-CD1 4.42Å; I1701-L1744 HydrophobicContact CG2-CD1 3.8Å; L1740-L1744 HydrophobicContact CD1-CD1 4.36Å; L1740-L1744 HydrophobicContact CD1-CG 4.42Å; L1740-L1744 HydrophobicContact CG-CD1 4.29Å; L1740-L1744 WeakPolarHBondContact O-CG 3.29Å; L1740-L1744 PolarHBondContact O-N 3.09Å; L1741-L1744 PolarHBondContact O-N 3.28Å; L1742-L1744 VanDerWaalsContact C-N 3.34Å; L1742-L1744 PolarHBondContact O-N 3.26Å; L1744-N1747 PolarHBondContact O-N 3.09Å; L1744-G1748 PolarHBondContact O-N 3.06Å; L1744-H1749 HydrophobicContact CB-CB 4.41Å; L1744-H1749 WeakPolarHBondContact O-CB 3.35Å; L1744-H1749 PolarHBondContact O-N 3.15Å
1745G91.9Very high88.8Confident0 Ų022.8 Ų22.80%013%0.131CC..Hα-helixtrans-68.7-42.4174.100000113.8L1741 L1742 G1743 N1747 G1748 L1750 G1776L1741-G1745 PolarHBondContact O-N 3.21Å; L1742-G1745 CarbonylContact O-C 3.52Å; L1742-G1745 WeakPolarHBondContact O-CA 3.28Å; L1742-G1745 PolarHBondContact O-N 3.16Å; L1742-G1745 VanDerWaalsContact O-N 3.1Å; G1743-G1745 VanDerWaalsContact C-N 3.34Å; G1743-G1745 PolarHBondContact O-N 3.04Å; G1745-N1747 PolarHBondContact O-N 3.27Å; G1745-G1748 WeakPolarHBondContact O-CA 3.36Å; G1745-G1748 PolarHBondContact O-N 3.17Å; G1745-L1750 VanDerWaalsContact CA-CD1 3.43Å; G1745-L1750 VanDerWaalsContact CA-CG 3.41Å; G1745-G1776 CarbonylContact C-O 3.55Å
1746L92.9Very high89Confident54.4 Ų54.430.8 Ų30.829%0.28516%0.161SC..Hα-helixtrans-62-31.5174.2-69174.3000112.3L1688 L1742 G1743 G1748 A1779 H2548 F2549 L2552L1688-L1746 HydrophobicContact CD2-CB 3.91Å; L1688-L1746 HydrophobicContact CD2-CD1 4.09Å; L1742-L1746 HydrophobicContact CD1-CD1 4.42Å; L1742-L1746 HydrophobicContact CD1-CD2 4.44Å; L1742-L1746 HydrophobicContact CD1-CG 4.15Å; L1742-L1746 HydrophobicContact CG-CD1 4.23Å; L1742-L1746 HydrophobicContact CG-CG 4.35Å; L1742-L1746 WeakPolarHBondContact O-CG 3.31Å; L1742-L1746 PolarHBondContact O-N 3.22Å; G1743-L1746 PolarHBondContact O-N 3.16Å; L1746-G1748 VanDerWaalsContact C-N 3.26Å; L1746-G1748 PolarHBondContact O-N 3.23Å; L1746-A1779 HydrophobicContact CD2-CB 3.81Å; L1746-H2548 HydrophobicContact CD1-CB 3.69Å; L1746-F2549 HydrophobicContact CD2-CD2 4.16Å; L1746-F2549 HydrophobicContact CD2-CE1 4.27Å; L1746-F2549 HydrophobicContact CD2-CE2 3.94Å; L1746-F2549 HydrophobicContact CD2-CG 4.49Å; L1746-F2549 HydrophobicContact CD2-CZ 3.99Å; L1746-L2552 HydrophobicContact CD2-CD1 4.08Å; L1746-L2552 HydrophobicContact CD2-CG 4.24Å; L1746-L2552 WeakPolarHBondContact O-CD2 3.45Å
1747N90.3Very high88.9Confident14.4 Ų14.431.2 Ų31.28%0.07716%0.163CC..THydrogen-bonded Turntrans-79.3-1.1172.1-73.3-18.5000113.9F1512 G1687 V1690 P1692 G1743 L1744 G1745 H1749F1512-N1747 WeakPolarHBondContact CE2-OD1 3.38Å; G1687-N1747 PolarHBondContact O-ND2 3.19Å; G1687-N1747 VanDerWaalsContact O-ND2 3.12Å; V1690-N1747 PolarHBondContact O-ND2 3.15Å; P1692-N1747 HydrophobicContact CB-CB 4.43Å; G1743-N1747 PolarHBondContact O-N 3.28Å; G1743-N1747 PolarHBondContact O-ND2 3.37Å; L1744-N1747 PolarHBondContact O-N 3.09Å; G1745-N1747 PolarHBondContact O-N 3.27Å; N1747-H1749 VanDerWaalsContact C-N 3.3Å; N1747-H1749 PolarHBondContact O-N 3.34Å
1748G87.9Confident88.8Confident22 Ų2231.8 Ų31.823%0.22717%0.166CC..THydrogen-bonded Turntrans81-3.1179.100000115.7L1744 G1745 L1746 L1750 N1751L1744-G1748 PolarHBondContact O-N 3.06Å; G1745-G1748 WeakPolarHBondContact O-CA 3.36Å; G1745-G1748 PolarHBondContact O-N 3.17Å; L1746-G1748 VanDerWaalsContact C-N 3.26Å; L1746-G1748 PolarHBondContact O-N 3.23Å; G1748-L1750 VanDerWaalsContact C-N 3.3Å; G1748-L1750 PolarHBondContact O-N 3.14Å; G1748-N1751 VanDerWaalsContact O-CB 3.28Å; G1748-N1751 WeakPolarHBondContact O-CB 3.37Å; G1748-N1751 PolarHBondContact O-N 3.14Å; G1748-N1751 VanDerWaalsContact O-N 3.15Å; G1748-N1751 PolarHBondContact O-ND2 3.33Å
1749H88.6Confident88.6Confident2 Ų233.2 Ų33.21%0.00918%0.18CC..G310 helixtrans-67.1-24.8-178-65.1-54.8000113.7V1690 S1691 P1692 A1694 I1696 I1701 L1744 N1747 N1751 K1752V1690-H1749 WeakPolarHBondContact CG1-NE2 3.33Å; S1691-H1749 PolarHBondContact O-CE1 3.13Å; S1691-H1749 VanDerWaalsContact O-CE1 3.29Å; S1691-H1749 PolarHBondContact O-NE2 3.16Å; P1692-H1749 PolarHBondContact O-CE1 3.28Å; P1692-H1749 VanDerWaalsContact O-CE1 3.24Å; A1694-H1749 PolarHBondContact O-CE1 3.08Å; A1694-H1749 VanDerWaalsContact O-CE1 3.29Å; I1696-H1749 VanDerWaalsContact CD1-CD2 3.46Å; I1696-H1749 WeakPolarHBondContact CD1-CD2 3.34Å; I1696-H1749 WeakPolarHBondContact CD1-NE2 3.47Å; I1701-H1749 HydrophobicContact CD1-CB 4.08Å; I1701-H1749 WeakPolarHBondContact CD1-O 3.33Å; L1744-H1749 HydrophobicContact CB-CB 4.41Å; L1744-H1749 WeakPolarHBondContact O-CB 3.35Å; L1744-H1749 PolarHBondContact O-N 3.15Å; N1747-H1749 VanDerWaalsContact C-N 3.3Å; N1747-H1749 PolarHBondContact O-N 3.34Å; H1749-N1751 PolarHBondContact O-N 3.15Å; H1749-N1751 VanDerWaalsContact O-N 3.15Å; H1749-K1752 PolarHBondContact ND1-NZ 3.28Å; H1749-K1752 VanDerWaalsContact ND1-NZ 3.18Å; H1749-K1752 VanDerWaalsContact O-CB 3.32Å; H1749-K1752 WeakPolarHBondContact O-CB 3.27Å; H1749-K1752 WeakPolarHBondContact O-CG 3.37Å; H1749-K1752 PolarHBondContact O-N 3.21Å; H1749-K1752 VanDerWaalsContact O-N 3.1Å
1750L87.1Confident88.2Confident3.4 Ų3.436.1 Ų36.12%0.01819%0.194CC..G310 helixtrans-63.1-21.8177.3-145.887.4000112.8L1741 G1745 G1748 K1752 I1753 L1777L1741-L1750 HydrophobicContact CD1-CD1 3.83Å; L1741-L1750 VanDerWaalsContact CD1-CD1 3.5Å; L1741-L1750 HydrophobicContact CD1-CD2 3.45Å; L1741-L1750 VanDerWaalsContact CD1-CD2 3.45Å; L1741-L1750 HydrophobicContact CD2-CD1 3.83Å; L1741-L1750 HydrophobicContact CD2-CD2 3.87Å; L1741-L1750 HydrophobicContact CD2-CG 4.47Å; L1741-L1750 HydrophobicContact CG-CD1 4.09Å; L1741-L1750 HydrophobicContact CG-CD2 3.92Å; G1745-L1750 VanDerWaalsContact CA-CD1 3.43Å; G1745-L1750 VanDerWaalsContact CA-CG 3.41Å; G1748-L1750 VanDerWaalsContact C-N 3.3Å; G1748-L1750 PolarHBondContact O-N 3.14Å; L1750-K1752 PolarHBondContact O-N 3.15Å; L1750-K1752 VanDerWaalsContact O-N 3.14Å; L1750-I1753 HydrophobicContact CD1-CD1 3.6Å; L1750-I1753 HydrophobicContact CD1-CG1 4.34Å; L1750-I1753 HydrophobicContact CD2-CD1 3.46Å; L1750-I1753 VanDerWaalsContact CD2-CD1 3.46Å; L1750-I1753 HydrophobicContact CG-CD1 4.47Å; L1750-I1753 WeakPolarHBondContact O-CB 3.33Å; L1750-I1753 PolarHBondContact O-N 3.12Å; L1750-I1753 VanDerWaalsContact O-N 3.15Å; L1750-L1777 HydrophobicContact CB-CD2 4.3Å; L1750-L1777 HydrophobicContact CD2-CB 4.46Å; L1750-L1777 HydrophobicContact CD2-CD2 3.68Å; L1750-L1777 HydrophobicContact CD2-CG 3.66Å; L1750-L1777 HydrophobicContact CG-CD2 3.8Å; L1750-L1777 HydrophobicContact CG-CG 4.33Å
1751N86.3Confident87.7Confident51.8 Ų51.836.3 Ų36.328%0.27720%0.195SC..G310 helixtrans-63.4-18.8173-72.5-31.4000114G1748 H1749 G1780 R1781G1748-N1751 VanDerWaalsContact O-CB 3.28Å; G1748-N1751 WeakPolarHBondContact O-CB 3.37Å; G1748-N1751 PolarHBondContact O-N 3.14Å; G1748-N1751 VanDerWaalsContact O-N 3.15Å; G1748-N1751 PolarHBondContact O-ND2 3.33Å; H1749-N1751 PolarHBondContact O-N 3.15Å; H1749-N1751 VanDerWaalsContact O-N 3.15Å; N1751-G1780 VanDerWaalsContact ND2-C 3.28Å; N1751-G1780 WeakPolarHBondContact ND2-CA 3.47Å; N1751-G1780 PolarHBondContact ND2-O 3.13Å; N1751-R1781 WeakPolarHBondContact OD1-CD 3.3Å; N1751-R1781 WeakPolarHBondContact OD1-CG 3.34Å; N1751-R1781 PolarHBondContact OD1-NE 2.94Å
1752K85Confident87.3Confident96.6 Ų96.637.4 Ų37.442%0.4220%0.201SC..G310 helixtrans-85.7-12.9-179.6-57.8175.9178.6170.70112.8A1694 I1696 H1749 L1750A1694-K1752 PolarHBondContact O-NZ 3.11Å; A1694-K1752 VanDerWaalsContact O-NZ 3.11Å; I1696-K1752 VanDerWaalsContact O-CD 3.31Å; I1696-K1752 WeakPolarHBondContact O-CD 3.31Å; I1696-K1752 WeakPolarHBondContact O-CE 3.37Å; I1696-K1752 PolarHBondContact O-NZ 2.97Å; H1749-K1752 PolarHBondContact ND1-NZ 3.28Å; H1749-K1752 VanDerWaalsContact ND1-NZ 3.18Å; H1749-K1752 VanDerWaalsContact O-CB 3.32Å; H1749-K1752 WeakPolarHBondContact O-CB 3.27Å; H1749-K1752 WeakPolarHBondContact O-CG 3.37Å; H1749-K1752 PolarHBondContact O-N 3.21Å; H1749-K1752 VanDerWaalsContact O-N 3.1Å; L1750-K1752 PolarHBondContact O-N 3.15Å; L1750-K1752 VanDerWaalsContact O-N 3.14Å
1753I86.3Confident86.6Confident11 Ų1142.7 Ų42.76%0.05623%0.233CC..SBendtrans-79147.5-178.2-58.5-171.4000110.3A1698 I1701 L1750 D1757 I1758A1698-I1753 HydrophobicContact CB-CG1 4.36Å; I1701-I1753 HydrophobicContact CB-CD1 4.18Å; I1701-I1753 HydrophobicContact CD1-CD1 4.12Å; I1701-I1753 HydrophobicContact CD1-CG1 3.95Å; I1701-I1753 HydrophobicContact CG2-CD1 3.69Å; I1701-I1753 HydrophobicContact CG2-CG1 4.48Å; L1750-I1753 HydrophobicContact CD1-CD1 3.6Å; L1750-I1753 HydrophobicContact CD1-CG1 4.34Å; L1750-I1753 HydrophobicContact CD2-CD1 3.46Å; L1750-I1753 VanDerWaalsContact CD2-CD1 3.46Å; L1750-I1753 HydrophobicContact CG-CD1 4.47Å; L1750-I1753 WeakPolarHBondContact O-CB 3.33Å; L1750-I1753 PolarHBondContact O-N 3.12Å; L1750-I1753 VanDerWaalsContact O-N 3.15Å; I1753-D1757 HydrophobicContact CG2-CB 3.6Å; I1753-I1758 HydrophobicContact CB-CD1 4.47Å; I1753-I1758 HydrophobicContact CB-CG1 4.42Å; I1753-I1758 HydrophobicContact CG2-CG1 4.06Å
1754T86.5Confident85.5Confident63.6 Ų63.644.4 Ų44.439%0.3924%0.24SC..  trans-69.1148177.680.60000111.3Y1756 D1757 I1758T1754-Y1756 PolarHBondContact O-N 3.05Å; T1754-Y1756 VanDerWaalsContact O-N 3.15Å; T1754-Y1756 PolarHBondContact OG1-N 2.96Å; T1754-D1757 WeakPolarHBondContact CB-OD2 3.33Å; T1754-D1757 WeakPolarHBondContact CG2-OD2 3.38Å; T1754-D1757 PolarHBondContact N-OD2 3.33Å; T1754-D1757 PolarHBondContact O-N 2.92Å; T1754-D1757 VanDerWaalsContact O-N 3.17Å; T1754-D1757 PolarHBondContact OG1-N 3.16Å; T1754-D1757 PolarHBondContact OG1-OD2 3.17Å; T1754-I1758 WeakPolarHBondContact O-CG1 3.21Å; T1754-I1758 PolarHBondContact O-N 3.21Å; T1754-I1758 VanDerWaalsContact O-N 3.12Å
1755P85.3Confident84.2Confident113.4 Ų113.449.4 Ų49.474%0.73627%0.27SS*.Hα-helixtrans-61.4-22.717624.8-34.4000113.1G1759P1755-G1759 PolarHBondContact O-N 2.97Å; P1755-G1759 VanDerWaalsContact O-N 3.11Å
1756Y86.4Confident83.5Confident180 Ų18051.1 Ų51.171%0.70628%0.278SS*.Hα-helixtrans-67.6-50174.4178.7-93.1000111.7T1754 I1758 G1759 E1760T1754-Y1756 PolarHBondContact O-N 3.05Å; T1754-Y1756 VanDerWaalsContact O-N 3.15Å; T1754-Y1756 PolarHBondContact OG1-N 2.96Å; Y1756-I1758 VanDerWaalsContact C-N 3.28Å; Y1756-I1758 PolarHBondContact O-N 3.25Å; Y1756-G1759 WeakPolarHBondContact O-CA 3.34Å; Y1756-G1759 PolarHBondContact O-N 3.18Å; Y1756-G1759 VanDerWaalsContact O-N 3.08Å; Y1756-E1760 PolarHBondContact O-N 2.99Å
1757D84.9Confident83Confident24.4 Ų24.449.1 Ų49.113%0.1327%0.267CS..Hα-helixtrans-65.3-34.9179.4-52.2-52000111.4L1702 I1753 T1754 G1759 E1760 Y1761L1702-D1757 HydrophobicContact CD1-CB 4.34Å; L1702-D1757 HydrophobicContact CD2-CB 4.18Å; I1753-D1757 HydrophobicContact CG2-CB 3.6Å; T1754-D1757 WeakPolarHBondContact CB-OD2 3.33Å; T1754-D1757 WeakPolarHBondContact CG2-OD2 3.38Å; T1754-D1757 PolarHBondContact N-OD2 3.33Å; T1754-D1757 PolarHBondContact O-N 2.92Å; T1754-D1757 VanDerWaalsContact O-N 3.17Å; T1754-D1757 PolarHBondContact OG1-N 3.16Å; T1754-D1757 PolarHBondContact OG1-OD2 3.17Å; D1757-G1759 VanDerWaalsContact C-N 3.31Å; D1757-G1759 PolarHBondContact O-N 2.91Å; D1757-E1760 WeakPolarHBondContact O-CB 3.3Å; D1757-E1760 PolarHBondContact O-N 3.2Å; D1757-E1760 VanDerWaalsContact O-N 3.16Å; D1757-Y1761 WeakPolarHBondContact O-CD2 3.39Å; D1757-Y1761 PolarHBondContact O-N 3.2Å; D1757-Y1761 VanDerWaalsContact O-N 3.1Å
1758I85.9Confident82.8Confident19.2 Ų19.248.6 Ų48.610%0.09827%0.265CS..Hα-helixtrans-59.3-43.9171.8-70.2166.1000110.5I1753 T1754 Y1756 E1760 Y1761 L1762 V1773 L1777 L1792I1753-I1758 HydrophobicContact CB-CD1 4.47Å; I1753-I1758 HydrophobicContact CB-CG1 4.42Å; I1753-I1758 HydrophobicContact CG2-CG1 4.06Å; T1754-I1758 WeakPolarHBondContact O-CG1 3.21Å; T1754-I1758 PolarHBondContact O-N 3.21Å; T1754-I1758 VanDerWaalsContact O-N 3.12Å; Y1756-I1758 VanDerWaalsContact C-N 3.28Å; Y1756-I1758 PolarHBondContact O-N 3.25Å; I1758-E1760 VanDerWaalsContact C-N 3.32Å; I1758-E1760 PolarHBondContact O-N 3.21Å; I1758-Y1761 PolarHBondContact O-N 3.19Å; I1758-Y1761 VanDerWaalsContact O-N 3.14Å; I1758-L1762 HydrophobicContact CG2-CD1 4.13Å; I1758-L1762 WeakPolarHBondContact O-CG 3.42Å; I1758-L1762 PolarHBondContact O-N 2.88Å; I1758-L1762 VanDerWaalsContact O-N 3.1Å; I1758-V1773 HydrophobicContact CG2-CG1 4Å; I1758-L1777 HydrophobicContact CD1-CD1 4.19Å; I1758-L1777 HydrophobicContact CD1-CD2 3.82Å; I1758-L1777 HydrophobicContact CG1-CD1 4.39Å; I1758-L1777 HydrophobicContact CG2-CD1 3.76Å; I1758-L1792 HydrophobicContact CG2-CD1 3.79Å; I1758-L1792 HydrophobicContact CG2-CD2 4.2Å
1759G84Confident82.8Confident29.4 Ų29.447.6 Ų47.630%0.30325%0.254SS..Hα-helixtrans-59.4-42173.200000112.6P1755 Y1756 D1757 Y1761 L1762 V1763P1755-G1759 PolarHBondContact O-N 2.97Å; P1755-G1759 VanDerWaalsContact O-N 3.11Å; Y1756-G1759 WeakPolarHBondContact O-CA 3.34Å; Y1756-G1759 PolarHBondContact O-N 3.18Å; Y1756-G1759 VanDerWaalsContact O-N 3.08Å; D1757-G1759 VanDerWaalsContact C-N 3.31Å; D1757-G1759 PolarHBondContact O-N 2.91Å; G1759-Y1761 VanDerWaalsContact C-N 3.29Å; G1759-Y1761 PolarHBondContact O-N 3.21Å; G1759-L1762 PolarHBondContact O-N 3.25Å; G1759-L1762 VanDerWaalsContact O-N 3.15Å; G1759-V1763 VanDerWaalsContact O-CG2 3.3Å; G1759-V1763 WeakPolarHBondContact O-CG2 3.39Å; G1759-V1763 PolarHBondContact O-N 3.31Å
1760E82.8Confident82.8Confident62 Ų6248.2 Ų48.229%0.2926%0.258SS..Hα-helixtrans-60.5-36175.6-158.6-157.1112.200112.1R1706 Y1756 D1757 I1758 R1764R1706-E1760 IonicContact NH2-OE1 3.53Å; R1706-E1760 IonicContact NH2-OE2 2.94Å; Y1756-E1760 PolarHBondContact O-N 2.99Å; D1757-E1760 WeakPolarHBondContact O-CB 3.3Å; D1757-E1760 PolarHBondContact O-N 3.2Å; D1757-E1760 VanDerWaalsContact O-N 3.16Å; I1758-E1760 VanDerWaalsContact C-N 3.32Å; I1758-E1760 PolarHBondContact O-N 3.21Å; E1760-R1764 VanDerWaalsContact C-NH1 3.35Å; E1760-R1764 WeakPolarHBondContact O-CG 3.44Å; E1760-R1764 PolarHBondContact O-NH1 3.16Å; E1760-R1764 IonicContact OE1-CZ 3.21Å; E1760-R1764 IonicContact OE1-NE 2.63Å; E1760-R1764 IonicContact OE1-NH1 3.03Å; E1760-R1764 PolarHBondContact OE1-NH1 3.16Å; E1760-R1764 IonicContact OE1-NH2 3.25Å; E1760-R1764 PolarHBondContact OE1-NH2 3.2Å
1761Y80.7Confident83Confident4.2 Ų4.248.4 Ų48.42%0.01626%0.258CS..Hα-helixtrans-71.5-36.5174.7-74.5-65.5000113.3L1702 C1705 L1741 D1757 I1758 G1759 R1764 N1770 V1773L1702-Y1761 HydrophobicContact CD1-CE2 4.07Å; L1702-Y1761 HydrophobicContact CD2-CE2 3.8Å; L1702-Y1761 WeakPolarHBondContact CD2-OH 3.26Å; L1702-Y1761 HydrophobicContact CG-CE2 4.44Å; C1705-Y1761 WeakPolarHBondContact CB-OH 3.37Å; L1741-Y1761 HydrophobicContact CD1-CD1 3.98Å; L1741-Y1761 HydrophobicContact CD1-CD2 3.97Å; L1741-Y1761 HydrophobicContact CD1-CE1 4.08Å; L1741-Y1761 HydrophobicContact CD1-CE2 4.13Å; L1741-Y1761 HydrophobicContact CD1-CG 4.17Å; L1741-Y1761 HydrophobicContact CD2-CD1 4.2Å; L1741-Y1761 HydrophobicContact CD2-CD2 4.38Å; L1741-Y1761 HydrophobicContact CD2-CE1 4.24Å; L1741-Y1761 HydrophobicContact CD2-CE2 4.4Å; L1741-Y1761 HydrophobicContact CD2-CG 4.22Å; D1757-Y1761 WeakPolarHBondContact O-CD2 3.39Å; D1757-Y1761 PolarHBondContact O-N 3.2Å; D1757-Y1761 VanDerWaalsContact O-N 3.1Å; I1758-Y1761 PolarHBondContact O-N 3.19Å; I1758-Y1761 VanDerWaalsContact O-N 3.14Å; G1759-Y1761 VanDerWaalsContact C-N 3.29Å; G1759-Y1761 PolarHBondContact O-N 3.21Å; Y1761-R1764 WeakPolarHBondContact O-CB 3.42Å; Y1761-R1764 PolarHBondContact O-N 3Å; Y1761-N1770 PolarHBondContact O-OD1 3.4Å; Y1761-V1773 HydrophobicContact CG-CG2 4.44Å
1762L82.5Confident83.2Confident24 Ų2445.9 Ų45.913%0.12625%0.245CC..Hα-helixtrans-77.8-24.9-179.1-68.4171.9000114.2I1758 G1759 R1764 N1770 V1773 L1774 L1792I1758-L1762 HydrophobicContact CG2-CD1 4.13Å; I1758-L1762 WeakPolarHBondContact O-CG 3.42Å; I1758-L1762 PolarHBondContact O-N 2.88Å; I1758-L1762 VanDerWaalsContact O-N 3.1Å; G1759-L1762 PolarHBondContact O-N 3.25Å; G1759-L1762 VanDerWaalsContact O-N 3.15Å; L1762-R1764 PolarHBondContact O-N 3.11Å; L1762-N1770 WeakPolarHBondContact CA-OD1 3.41Å; L1762-N1770 HydrophobicContact CD2-CB 4.28Å; L1762-N1770 PolarHBondContact O-OD1 3.12Å; L1762-V1773 HydrophobicContact CD1-CG1 4.32Å; L1762-V1773 HydrophobicContact CD2-CB 3.96Å; L1762-V1773 HydrophobicContact CD2-CG1 3.87Å; L1762-V1773 HydrophobicContact CD2-CG2 4.49Å; L1762-V1773 HydrophobicContact CG-CB 4.47Å; L1762-V1773 HydrophobicContact CG-CG1 4.05Å; L1762-L1774 HydrophobicContact CD2-CG 4.35Å; L1762-L1792 HydrophobicContact CD1-CD1 3.51Å; L1762-L1792 HydrophobicContact CD1-CD2 3.79Å; L1762-L1792 HydrophobicContact CD1-CG 3.68Å
1763V79Confident83.5Confident120.6 Ų120.641.4 Ų41.473%0.73123%0.226SC*.THydrogen-bonded Turntrans-70.3-19172.2170.30000111.6G1759 V1765G1759-V1763 VanDerWaalsContact O-CG2 3.3Å; G1759-V1763 WeakPolarHBondContact O-CG2 3.39Å; G1759-V1763 PolarHBondContact O-N 3.31Å; V1763-V1765 PolarHBondContact O-N 3.11Å; V1763-V1765 VanDerWaalsContact O-N 3.16Å
1764R68.7Low83.7Confident36.2 Ų36.240.9 Ų40.914%0.13722%0.223CC..SBendtrans-69.7126.6174.4-66.2171.9171.9109.3-5.1109.3D1731 E1760 Y1761 L1762 H1766 N1770D1731-R1764 IonicContact OD2-NH2 2.95Å; D1731-R1764 PolarHBondContact OD2-NH2 2.6Å; E1760-R1764 VanDerWaalsContact C-NH1 3.35Å; E1760-R1764 WeakPolarHBondContact O-CG 3.44Å; E1760-R1764 PolarHBondContact O-NH1 3.16Å; E1760-R1764 IonicContact OE1-CZ 3.21Å; E1760-R1764 IonicContact OE1-NE 2.63Å; E1760-R1764 IonicContact OE1-NH1 3.03Å; E1760-R1764 PolarHBondContact OE1-NH1 3.16Å; E1760-R1764 IonicContact OE1-NH2 3.25Å; E1760-R1764 PolarHBondContact OE1-NH2 3.2Å; Y1761-R1764 WeakPolarHBondContact O-CB 3.42Å; Y1761-R1764 PolarHBondContact O-N 3Å; L1762-R1764 PolarHBondContact O-N 3.11Å; R1764-H1766 PolarHBondContact O-N 3.13Å; R1764-N1770 PolarHBondContact O-ND2 3.1Å; R1764-N1770 PolarHBondContact O-OD1 3.15Å
1765V65Low84.1Confident105 Ų10538.7 Ų38.764%0.63621%0.209SC*.  trans-69.22.7-172.5-172.80000113.7V1763 D1767 T1888V1763-V1765 PolarHBondContact O-N 3.11Å; V1763-V1765 VanDerWaalsContact O-N 3.16Å; V1765-D1767 PolarHBondContact O-N 2.95Å; V1765-T1888 HydrophobicContact CG1-CG2 3.96Å
1766H77.5Confident84.4Confident35.6 Ų35.633.3 Ų33.317%0.16517%0.174CC..  trans-89.1110.3-172.8-158.4-58.3000112.2S1733 R1764 L1768 H1769 N1770S1733-H1766 WeakPolarHBondContact CB-CD2 3.31Å; S1733-H1766 WeakPolarHBondContact CB-NE2 3.41Å; S1733-H1766 WeakPolarHBondContact OG-CB 3.35Å; S1733-H1766 PolarHBondContact OG-CD2 3.45Å; S1733-H1766 PolarHBondContact OG-CE1 3.37Å; S1733-H1766 PolarHBondContact OG-ND1 3.07Å; S1733-H1766 VanDerWaalsContact OG-ND1 3.15Å; S1733-H1766 PolarHBondContact OG-NE2 2.98Å; R1764-H1766 PolarHBondContact O-N 3.13Å; H1766-L1768 VanDerWaalsContact C-N 3.31Å; H1766-L1768 VanDerWaalsContact CE1-CB 3.48Å; H1766-L1768 WeakPolarHBondContact CE1-CB 3.33Å; H1766-L1768 PolarHBondContact ND1-N 3.22Å; H1766-L1768 VanDerWaalsContact ND1-N 3.16Å; H1766-L1768 PolarHBondContact O-N 3.17Å; H1766-L1768 VanDerWaalsContact O-N 3.14Å; H1766-H1769 HydrophobicContact CB-CB 4.45Å; H1766-H1769 WeakPolarHBondContact CB-ND1 3.25Å; H1766-H1769 AromaticContact CD2-ND1 3.92Å; H1766-H1769 AromaticContact CG-CE1 3.95Å; H1766-H1769 AromaticContact CG-ND1 3.35Å; H1766-H1769 VanDerWaalsContact CG-ND1 3.31Å; H1766-H1769 AromaticContact ND1-ND1 3.45Å; H1766-H1769 PolarHBondContact ND1-ND1 3.05Å; H1766-H1769 WeakPolarHBondContact O-CB 3.34Å; H1766-H1769 PolarHBondContact O-N 3.17Å; H1766-N1770 PolarHBondContact O-N 3.1Å
1767D82.3Confident84.7Confident11.8 Ų11.825.1 Ų25.16%0.06314%0.142CC..Hα-helixtrans-41.7-49.6-177.3-49.3-20.7000114.5V1765 H1769 N1770 M1771 P1814 L1816 C1817 A1890 G1891V1765-D1767 PolarHBondContact O-N 2.95Å; D1767-H1769 VanDerWaalsContact C-N 3.29Å; D1767-H1769 PolarHBondContact O-N 3.08Å; D1767-N1770 PolarHBondContact O-N 3.12Å; D1767-N1770 VanDerWaalsContact O-N 3.15Å; D1767-M1771 VanDerWaalsContact O-CB 3.27Å; D1767-M1771 WeakPolarHBondContact O-CB 3.26Å; D1767-M1771 PolarHBondContact O-N 3.16Å; D1767-P1814 HydrophobicContact CB-CB 4.45Å; D1767-P1814 WeakPolarHBondContact OD1-CG 3.36Å; D1767-L1816 HydrophobicContact CB-CD2 4.21Å; D1767-C1817 PolarHBondContact O-SG 2.87Å; D1767-A1890 PolarHBondContact OD2-N 3.01Å; D1767-G1891 WeakPolarHBondContact OD2-CA 3.16Å; D1767-G1891 PolarHBondContact OD2-N 3.37Å
1768L86.6Confident85.1Confident4.8 Ų4.824 Ų243%0.02514%0.136CC..Hα-helixtrans-62.5-30.4-179.8-60.9178.9000114H1676 W1677 F1680 P1735 A1738 H1766 M1771 A1772 L1816H1676-L1768 HydrophobicContact CB-CD1 4.07Å; W1677-L1768 HydrophobicContact CH2-CD2 4.05Å; W1677-L1768 HydrophobicContact CZ2-CD2 3.99Å; W1677-L1768 HydrophobicContact CZ3-CD2 4.36Å; F1680-L1768 HydrophobicContact CB-CD1 4.09Å; F1680-L1768 HydrophobicContact CD2-CB 4.09Å; F1680-L1768 HydrophobicContact CD2-CD1 4.02Å; F1680-L1768 HydrophobicContact CD2-CD2 4.4Å; F1680-L1768 HydrophobicContact CD2-CG 4.41Å; F1680-L1768 HydrophobicContact CE2-CB 4.16Å; F1680-L1768 HydrophobicContact CG-CD1 4.24Å; P1735-L1768 HydrophobicContact CB-CD1 4.12Å; A1738-L1768 HydrophobicContact CB-CB 3.97Å; H1766-L1768 VanDerWaalsContact C-N 3.31Å; H1766-L1768 VanDerWaalsContact CE1-CB 3.48Å; H1766-L1768 WeakPolarHBondContact CE1-CB 3.33Å; H1766-L1768 PolarHBondContact ND1-N 3.22Å; H1766-L1768 VanDerWaalsContact ND1-N 3.16Å; H1766-L1768 PolarHBondContact O-N 3.17Å; H1766-L1768 VanDerWaalsContact O-N 3.14Å; L1768-M1771 HydrophobicContact CB-CE 4.29Å; L1768-M1771 HydrophobicContact CD2-CE 3.94Å; L1768-M1771 HydrophobicContact CD2-SD 4.3Å; L1768-A1772 WeakPolarHBondContact O-CB 3.45Å; L1768-A1772 PolarHBondContact O-N 3.09Å; L1768-L1816 HydrophobicContact CD2-CD2 3.8Å
1769H87.9Confident85.4Confident0.6 Ų0.623.9 Ų23.90%0.00314%0.138CC..Hα-helixtrans-70.7-45.9176.1-71.577.7000110.4S1733 S1734 A1738 H1766 D1767 M1771 A1772 V1773S1733-H1769 VanDerWaalsContact CB-CE1 3.44Å; S1733-H1769 WeakPolarHBondContact CB-CE1 3.41Å; S1733-H1769 PolarHBondContact OG-CE1 3.04Å; S1734-H1769 PolarHBondContact O-CE1 3.16Å; S1734-H1769 PolarHBondContact O-NE2 3.35Å; A1738-H1769 HydrophobicContact CB-CB 4.43Å; A1738-H1769 PolarHBondContact N-NE2 2.94Å; H1766-H1769 HydrophobicContact CB-CB 4.45Å; H1766-H1769 WeakPolarHBondContact CB-ND1 3.25Å; H1766-H1769 AromaticContact CD2-ND1 3.92Å; H1766-H1769 AromaticContact CG-CE1 3.95Å; H1766-H1769 AromaticContact CG-ND1 3.35Å; H1766-H1769 VanDerWaalsContact CG-ND1 3.31Å; H1766-H1769 AromaticContact ND1-ND1 3.45Å; H1766-H1769 PolarHBondContact ND1-ND1 3.05Å; H1766-H1769 WeakPolarHBondContact O-CB 3.34Å; H1766-H1769 PolarHBondContact O-N 3.17Å; D1767-H1769 VanDerWaalsContact C-N 3.29Å; D1767-H1769 PolarHBondContact O-N 3.08Å; H1769-M1771 VanDerWaalsContact C-N 3.34Å; H1769-M1771 PolarHBondContact O-N 3.3Å; H1769-A1772 WeakPolarHBondContact O-CB 3.24Å; H1769-A1772 PolarHBondContact O-N 3.18Å; H1769-A1772 VanDerWaalsContact O-N 3.16Å; H1769-V1773 VanDerWaalsContact O-CG2 3.3Å; H1769-V1773 WeakPolarHBondContact O-CG2 3.4Å; H1769-V1773 PolarHBondContact O-N 3.06Å
1770N88.5Confident85.7Confident15.2 Ų15.223.6 Ų23.68%0.08114%0.135CC..Hα-helixtrans-63.7-45.3179.1-65.4-9.9000110.6Y1761 L1762 R1764 H1766 D1767 A1772 V1773 L1774Y1761-N1770 PolarHBondContact O-OD1 3.4Å; L1762-N1770 WeakPolarHBondContact CA-OD1 3.41Å; L1762-N1770 HydrophobicContact CD2-CB 4.28Å; L1762-N1770 PolarHBondContact O-OD1 3.12Å; R1764-N1770 PolarHBondContact O-ND2 3.1Å; R1764-N1770 PolarHBondContact O-OD1 3.15Å; H1766-N1770 PolarHBondContact O-N 3.1Å; D1767-N1770 PolarHBondContact O-N 3.12Å; D1767-N1770 VanDerWaalsContact O-N 3.15Å; N1770-A1772 PolarHBondContact O-N 3.34Å; N1770-V1773 PolarHBondContact O-N 3.11Å; N1770-L1774 VanDerWaalsContact O-CB 3.28Å; N1770-L1774 WeakPolarHBondContact O-CB 3.34Å; N1770-L1774 WeakPolarHBondContact O-CD1 3.31Å; N1770-L1774 VanDerWaalsContact O-CG 3.22Å; N1770-L1774 WeakPolarHBondContact O-CG 3.37Å; N1770-L1774 PolarHBondContact O-N 3.05Å
1771M90Very high86.1Confident6 Ų624.6 Ų24.63%0.0314%0.136CC..Hα-helixtrans-55.8-47.5171.1-176.5-157.471.700112.3W1677 F1680 L1742 D1767 L1768 H1769 L1774 L1775 L1816 A1820 L2543 A2545W1677-M1771 HydrophobicContact CH2-CE 4.03Å; W1677-M1771 HydrophobicContact CH2-SD 3.86Å; W1677-M1771 HydrophobicContact CZ2-SD 4.44Å; W1677-M1771 HydrophobicContact CZ3-CE 4.13Å; W1677-M1771 HydrophobicContact CZ3-SD 4.48Å; F1680-M1771 HydrophobicContact CD2-CE 4.44Å; F1680-M1771 HydrophobicContact CE1-CE 3.78Å; F1680-M1771 HydrophobicContact CE2-CE 3.78Å; F1680-M1771 HydrophobicContact CZ-CE 3.25Å; L1742-M1771 HydrophobicContact CD2-CE 4.27Å; D1767-M1771 VanDerWaalsContact O-CB 3.27Å; D1767-M1771 WeakPolarHBondContact O-CB 3.26Å; D1767-M1771 PolarHBondContact O-N 3.16Å; L1768-M1771 HydrophobicContact CB-CE 4.29Å; L1768-M1771 HydrophobicContact CD2-CE 3.94Å; L1768-M1771 HydrophobicContact CD2-SD 4.3Å; H1769-M1771 VanDerWaalsContact C-N 3.34Å; H1769-M1771 PolarHBondContact O-N 3.3Å; M1771-L1774 PolarHBondContact O-N 3.41Å; M1771-L1775 HydrophobicContact CE-CD1 4.3Å; M1771-L1775 HydrophobicContact CG-CD1 4.02Å; M1771-L1775 HydrophobicContact CG-CG 4.47Å; M1771-L1775 WeakPolarHBondContact O-CB 3.41Å; M1771-L1775 WeakPolarHBondContact O-CG 3.34Å; M1771-L1775 PolarHBondContact O-N 3.15Å; M1771-L1775 VanDerWaalsContact O-N 3.08Å; M1771-L1775 HydrophobicContact SD-CD1 4.43Å; M1771-L1816 HydrophobicContact CB-CD2 4.43Å; M1771-L1816 HydrophobicContact CB-CG 4.5Å; M1771-L1816 HydrophobicContact CE-CD2 4.41Å; M1771-L1816 HydrophobicContact CG-CG 4.38Å; M1771-L1816 HydrophobicContact SD-CD1 3.94Å; M1771-L1816 HydrophobicContact SD-CD2 3.86Å; M1771-L1816 HydrophobicContact SD-CG 3.9Å; M1771-A1820 HydrophobicContact CB-CB 4.28Å; M1771-A1820 HydrophobicContact CG-CB 3.67Å; M1771-L2543 HydrophobicContact SD-CD1 3.92Å; M1771-A2545 HydrophobicContact CE-CB 3.82Å; M1771-A2545 HydrophobicContact SD-CB 3.74Å
1772A91.5Very high86.7Confident0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-64.2-43.9-178.900000113.1F1680 A1738 L1741 L1742 L1768 H1769 N1770 G1776F1680-A1772 HydrophobicContact CE2-CB 4.2Å; F1680-A1772 HydrophobicContact CZ-CB 4.43Å; A1738-A1772 HydrophobicContact CB-CB 4.39Å; A1738-A1772 WeakPolarHBondContact O-CB 3.38Å; L1741-A1772 HydrophobicContact CD2-CB 4.32Å; L1742-A1772 HydrophobicContact CB-CB 3.81Å; L1768-A1772 WeakPolarHBondContact O-CB 3.45Å; L1768-A1772 PolarHBondContact O-N 3.09Å; H1769-A1772 WeakPolarHBondContact O-CB 3.24Å; H1769-A1772 PolarHBondContact O-N 3.18Å; H1769-A1772 VanDerWaalsContact O-N 3.16Å; N1770-A1772 PolarHBondContact O-N 3.34Å; A1772-G1776 WeakPolarHBondContact O-CA 3.29Å; A1772-G1776 PolarHBondContact O-N 3.12Å
1773V91Very high87.1Confident2.4 Ų2.430.8 Ų30.82%0.01517%0.17CC..Hα-helixtrans-65.7-48.4177.5173.60000110.4L1741 I1758 Y1761 L1762 H1769 N1770 L1775 G1776 L1777L1741-V1773 HydrophobicContact CD1-CG2 4.17Å; L1741-V1773 HydrophobicContact CD2-CB 4.22Å; L1741-V1773 HydrophobicContact CD2-CG2 3.46Å; L1741-V1773 HydrophobicContact CG-CG2 4.44Å; I1758-V1773 HydrophobicContact CG2-CG1 4Å; Y1761-V1773 HydrophobicContact CG-CG2 4.44Å; L1762-V1773 HydrophobicContact CD1-CG1 4.32Å; L1762-V1773 HydrophobicContact CD2-CB 3.96Å; L1762-V1773 HydrophobicContact CD2-CG1 3.87Å; L1762-V1773 HydrophobicContact CD2-CG2 4.49Å; L1762-V1773 HydrophobicContact CG-CB 4.47Å; L1762-V1773 HydrophobicContact CG-CG1 4.05Å; H1769-V1773 VanDerWaalsContact O-CG2 3.3Å; H1769-V1773 WeakPolarHBondContact O-CG2 3.4Å; H1769-V1773 PolarHBondContact O-N 3.06Å; N1770-V1773 PolarHBondContact O-N 3.11Å; V1773-L1775 PolarHBondContact O-N 3.07Å; V1773-G1776 PolarHBondContact O-N 3.05Å; V1773-L1777 HydrophobicContact CG1-CD1 3.71Å; V1773-L1777 HydrophobicContact CG1-CG 4.29Å; V1773-L1777 WeakPolarHBondContact O-CB 3.31Å; V1773-L1777 VanDerWaalsContact O-CG 3.29Å; V1773-L1777 WeakPolarHBondContact O-CG 3.32Å; V1773-L1777 PolarHBondContact O-N 3.01Å
1774L91.6Very high87.7Confident1.2 Ų1.228.9 Ų28.91%0.00616%0.158CC..Hα-helixtrans-58.7-53.7-179.9-73.1168.2000111.3L1762 N1770 M1771 G1776 L1777 C1778 L1792 I1793 H1796 C1817 A1821L1762-L1774 HydrophobicContact CD2-CG 4.35Å; N1770-L1774 VanDerWaalsContact O-CB 3.28Å; N1770-L1774 WeakPolarHBondContact O-CB 3.34Å; N1770-L1774 WeakPolarHBondContact O-CD1 3.31Å; N1770-L1774 VanDerWaalsContact O-CG 3.22Å; N1770-L1774 WeakPolarHBondContact O-CG 3.37Å; N1770-L1774 PolarHBondContact O-N 3.05Å; M1771-L1774 PolarHBondContact O-N 3.41Å; L1774-G1776 PolarHBondContact O-N 3.33Å; L1774-L1777 PolarHBondContact O-N 3.05Å; L1774-C1778 WeakPolarHBondContact O-CB 3.4Å; L1774-C1778 PolarHBondContact O-N 3.07Å; L1774-C1778 VanDerWaalsContact O-N 3.08Å; L1774-C1778 PolarHBondContact O-SG 3.25Å; L1774-L1792 HydrophobicContact CD2-CD2 3.83Å; L1774-L1792 VanDerWaalsContact CD2-CD2 3.46Å; L1774-L1792 HydrophobicContact CD2-CG 4.34Å; L1774-L1792 HydrophobicContact CG-CD2 4.45Å; L1774-I1793 HydrophobicContact CD2-CG1 4.31Å; L1774-H1796 HydrophobicContact CD1-CB 3.94Å; L1774-C1817 VanDerWaalsContact CD1-SG 3.57Å; L1774-A1821 HydrophobicContact CD1-CB 4.42Å
1775L93.6Very high88.8Confident17.6 Ų17.630.5 Ų30.59%0.09217%0.168CC..Hα-helixtrans-65.7-40.2179.7-70.1177.8000112.4L1742 M1771 V1773 C1778 A1779 A1820 F1823 L2543 A2545 L2546 F2549L1742-L1775 HydrophobicContact CD1-CB 3.79Å; M1771-L1775 HydrophobicContact CE-CD1 4.3Å; M1771-L1775 HydrophobicContact CG-CD1 4.02Å; M1771-L1775 HydrophobicContact CG-CG 4.47Å; M1771-L1775 WeakPolarHBondContact O-CB 3.41Å; M1771-L1775 WeakPolarHBondContact O-CG 3.34Å; M1771-L1775 PolarHBondContact O-N 3.15Å; M1771-L1775 VanDerWaalsContact O-N 3.08Å; M1771-L1775 HydrophobicContact SD-CD1 4.43Å; V1773-L1775 PolarHBondContact O-N 3.07Å; L1775-C1778 PolarHBondContact O-N 3.06Å; L1775-A1779 VanDerWaalsContact O-CB 3.25Å; L1775-A1779 WeakPolarHBondContact O-CB 3.41Å; L1775-A1779 PolarHBondContact O-N 3.08Å; L1775-A1820 HydrophobicContact CD1-CB 4.16Å; L1775-A1820 HydrophobicContact CD2-CB 4.24Å; L1775-A1820 VanDerWaalsContact CD2-O 3.28Å; L1775-A1820 WeakPolarHBondContact CD2-O 3.39Å; L1775-A1820 HydrophobicContact CG-CB 3.98Å; L1775-F1823 HydrophobicContact CD2-CB 4.45Å; L1775-F1823 HydrophobicContact CD2-CD1 3.77Å; L1775-L2543 HydrophobicContact CD1-CD2 4.12Å; L1775-A2545 HydrophobicContact CD1-CB 3.89Å; L1775-L2546 HydrophobicContact CD1-CD2 4.33Å; L1775-L2546 HydrophobicContact CD2-CD2 4.43Å; L1775-F2549 HydrophobicContact CB-CZ 4.24Å; L1775-F2549 HydrophobicContact CD1-CZ 4.46Å; L1775-F2549 HydrophobicContact CD2-CZ 4.27Å
1776G92.4Very high90.1Very high0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-63.4-43.317900000113G1745 A1772 V1773 L1774 A1779 G1780G1745-G1776 CarbonylContact C-O 3.55Å; A1772-G1776 WeakPolarHBondContact O-CA 3.29Å; A1772-G1776 PolarHBondContact O-N 3.12Å; V1773-G1776 PolarHBondContact O-N 3.05Å; L1774-G1776 PolarHBondContact O-N 3.33Å; G1776-A1779 PolarHBondContact O-N 3.48Å; G1776-G1780 PolarHBondContact O-N 3.05Å; G1776-G1780 VanDerWaalsContact O-N 3.11Å
1777L92.3Very high90.8Very high7 Ų730.2 Ų30.24%0.03716%0.161CC..Hα-helixtrans-68-42.6176.1-69.9173.5000111.6L1750 I1758 V1773 L1774 A1779 G1780 R1781 V1789 L1792L1750-L1777 HydrophobicContact CB-CD2 4.3Å; L1750-L1777 HydrophobicContact CD2-CB 4.46Å; L1750-L1777 HydrophobicContact CD2-CD2 3.68Å; L1750-L1777 HydrophobicContact CD2-CG 3.66Å; L1750-L1777 HydrophobicContact CG-CD2 3.8Å; L1750-L1777 HydrophobicContact CG-CG 4.33Å; I1758-L1777 HydrophobicContact CD1-CD1 4.19Å; I1758-L1777 HydrophobicContact CD1-CD2 3.82Å; I1758-L1777 HydrophobicContact CG1-CD1 4.39Å; I1758-L1777 HydrophobicContact CG2-CD1 3.76Å; V1773-L1777 HydrophobicContact CG1-CD1 3.71Å; V1773-L1777 HydrophobicContact CG1-CG 4.29Å; V1773-L1777 WeakPolarHBondContact O-CB 3.31Å; V1773-L1777 VanDerWaalsContact O-CG 3.29Å; V1773-L1777 WeakPolarHBondContact O-CG 3.32Å; V1773-L1777 PolarHBondContact O-N 3.01Å; L1774-L1777 PolarHBondContact O-N 3.05Å; L1777-A1779 VanDerWaalsContact C-N 3.34Å; L1777-A1779 PolarHBondContact O-N 3.18Å; L1777-G1780 PolarHBondContact O-N 3.17Å; L1777-R1781 WeakPolarHBondContact O-CB 3.36Å; L1777-R1781 WeakPolarHBondContact O-CG 3.36Å; L1777-R1781 PolarHBondContact O-N 3.12Å; L1777-R1781 VanDerWaalsContact O-N 3.07Å; L1777-V1789 HydrophobicContact CB-CG1 4.36Å; L1777-V1789 HydrophobicContact CB-CG2 4.42Å; L1777-L1792 HydrophobicContact CD1-CD1 3.85Å; L1777-L1792 HydrophobicContact CD1-CD2 3.54Å; L1777-L1792 VanDerWaalsContact CD1-CD2 3.48Å
1778C93.3Very high91.1Very high0.8 Ų0.833.1 Ų33.11%0.00518%0.182CC..Hα-helixtrans-65.3-37.8178.2-64.60000112.3L1774 L1775 R1781 R1782 I1793 G1824 L1827L1774-C1778 WeakPolarHBondContact O-CB 3.4Å; L1774-C1778 PolarHBondContact O-N 3.07Å; L1774-C1778 VanDerWaalsContact O-N 3.08Å; L1774-C1778 PolarHBondContact O-SG 3.25Å; L1775-C1778 PolarHBondContact O-N 3.06Å; C1778-R1781 CarbonylContact O-C 3.55Å; C1778-R1781 PolarHBondContact O-N 3.28Å; C1778-R1782 WeakPolarHBondContact O-CA 3.43Å; C1778-R1782 PolarHBondContact O-N 3.29Å; C1778-R1782 VanDerWaalsContact O-N 3.1Å; C1778-I1793 VanDerWaalsContact SG-CD1 3.57Å; C1778-G1824 WeakPolarHBondContact CB-O 3.35Å; C1778-G1824 VanDerWaalsContact SG-CA 3.56Å; C1778-L1827 HydrophobicContact CB-CB 4.24Å; C1778-L1827 HydrophobicContact CB-CD1 3.88Å
1779A93Very high91.3Very high17.2 Ų17.233.2 Ų33.214%0.14218%0.183CC..Hα-helixtrans-66.1-43.8174.300000111.8L1746 L1775 G1776 L1777 R1781 R1782 L1827 L2552L1746-A1779 HydrophobicContact CD2-CB 3.81Å; L1775-A1779 VanDerWaalsContact O-CB 3.25Å; L1775-A1779 WeakPolarHBondContact O-CB 3.41Å; L1775-A1779 PolarHBondContact O-N 3.08Å; G1776-A1779 PolarHBondContact O-N 3.48Å; L1777-A1779 VanDerWaalsContact C-N 3.34Å; L1777-A1779 PolarHBondContact O-N 3.18Å; A1779-R1781 VanDerWaalsContact C-N 3.28Å; A1779-R1781 PolarHBondContact O-N 3.01Å; A1779-R1782 WeakPolarHBondContact O-CB 3.43Å; A1779-R1782 PolarHBondContact O-N 3.13Å; A1779-L1827 HydrophobicContact CB-CD1 4.44Å; A1779-L2552 HydrophobicContact CB-CD1 4.04Å
1780G89.9Confident91.5Very high22.6 Ų22.634.5 Ų34.523%0.23319%0.19CC..Hα-helixtrans-66.1-21.7175.600000114.4N1751 G1776 L1777N1751-G1780 VanDerWaalsContact ND2-C 3.28Å; N1751-G1780 WeakPolarHBondContact ND2-CA 3.47Å; N1751-G1780 PolarHBondContact ND2-O 3.13Å; G1776-G1780 PolarHBondContact O-N 3.05Å; G1776-G1780 VanDerWaalsContact O-N 3.11Å; L1777-G1780 PolarHBondContact O-N 3.17Å
1781R90.8Very high91.5Very high83.8 Ų83.842.6 Ų42.632%0.31622%0.219SC..THydrogen-bonded Turntrans-11625.1179.8-64.3-82.1178.2136.6-0.8113N1751 L1777 C1778 A1779 G1783 T1784 D1786 V1789 L1828N1751-R1781 WeakPolarHBondContact OD1-CD 3.3Å; N1751-R1781 WeakPolarHBondContact OD1-CG 3.34Å; N1751-R1781 PolarHBondContact OD1-NE 2.94Å; L1777-R1781 WeakPolarHBondContact O-CB 3.36Å; L1777-R1781 WeakPolarHBondContact O-CG 3.36Å; L1777-R1781 PolarHBondContact O-N 3.12Å; L1777-R1781 VanDerWaalsContact O-N 3.07Å; C1778-R1781 CarbonylContact O-C 3.55Å; C1778-R1781 PolarHBondContact O-N 3.28Å; A1779-R1781 VanDerWaalsContact C-N 3.28Å; A1779-R1781 PolarHBondContact O-N 3.01Å; R1781-G1783 PolarHBondContact O-N 2.97Å; R1781-T1784 HydrophobicContact CB-CG2 4.29Å; R1781-T1784 WeakPolarHBondContact CB-OG1 3.32Å; R1781-T1784 WeakPolarHBondContact O-CB 3.4Å; R1781-T1784 WeakPolarHBondContact O-CG2 3.41Å; R1781-T1784 PolarHBondContact O-N 3.19Å; R1781-T1784 VanDerWaalsContact O-N 3.1Å; R1781-T1784 PolarHBondContact O-OG1 3.29Å; R1781-T1784 VanDerWaalsContact O-OG1 3.06Å; R1781-D1786 HydrophobicContact CB-CB 4.48Å; R1781-D1786 WeakPolarHBondContact CD-OD2 3.48Å; R1781-D1786 IonicContact CZ-OD2 3.52Å; R1781-D1786 IonicContact NE-OD2 3.14Å; R1781-D1786 PolarHBondContact NE-OD2 2.95Å; R1781-D1786 IonicContact NH1-OD2 3.04Å; R1781-D1786 PolarHBondContact NH1-OD2 3.31Å; R1781-V1789 HydrophobicContact CB-CG2 4.47Å; R1781-V1789 HydrophobicContact CG-CG2 4.14Å; R1781-L1828 HydrophobicContact CB-CD1 4.16Å; R1781-L1828 WeakPolarHBondContact O-CD1 3.45Å
1782R92.4Very high91.4Very high121.2 Ų121.244.3 Ų44.346%0.45723%0.228SC..THydrogen-bonded Turntrans-54.9126.8-175.9-168.5-179.679.5173.7-1112C1778 A1779 T1784 L1827 Q1830C1778-R1782 WeakPolarHBondContact O-CA 3.43Å; C1778-R1782 PolarHBondContact O-N 3.29Å; C1778-R1782 VanDerWaalsContact O-N 3.1Å; A1779-R1782 WeakPolarHBondContact O-CB 3.43Å; A1779-R1782 PolarHBondContact O-N 3.13Å; R1782-T1784 VanDerWaalsContact C-N 3.27Å; R1782-T1784 PolarHBondContact O-N 2.91Å; R1782-T1784 VanDerWaalsContact O-N 3.17Å; R1782-L1827 CarbonylContact C-O 3.58Å; R1782-L1827 WeakPolarHBondContact CA-O 3.26Å; R1782-L1827 HydrophobicContact CG-CB 4.38Å; R1782-L1827 HydrophobicContact CG-CD2 4.31Å; R1782-L1827 VanDerWaalsContact CG-O 3.3Å; R1782-L1827 WeakPolarHBondContact CG-O 3.4Å; R1782-Q1830 HydrophobicContact CG-CB 4.4Å
1783G91.6Very high91.3Very high37.4 Ų37.444.3 Ų44.339%0.38623%0.228SC..THydrogen-bonded Turntrans71.33-179.700000116.2R1781 L1827 L1828R1781-G1783 PolarHBondContact O-N 2.97Å; G1783-L1827 PolarHBondContact N-O 3.11Å; G1783-L1828 CarbonylContact C-O 3.54Å; G1783-L1828 VanDerWaalsContact CA-O 3.28Å; G1783-L1828 WeakPolarHBondContact CA-O 3.37Å; G1783-L1828 PolarHBondContact N-O 3.11Å
1784T92.4Very high91.1Very high79.6 Ų79.645 Ų4549%0.48824%0.235SC..SBendtrans-84.6-11.9-176.366.60000114.4R1781 R1782 D1786 L1828R1781-T1784 HydrophobicContact CB-CG2 4.29Å; R1781-T1784 WeakPolarHBondContact CB-OG1 3.32Å; R1781-T1784 WeakPolarHBondContact O-CB 3.4Å; R1781-T1784 WeakPolarHBondContact O-CG2 3.41Å; R1781-T1784 PolarHBondContact O-N 3.19Å; R1781-T1784 VanDerWaalsContact O-N 3.1Å; R1781-T1784 PolarHBondContact O-OG1 3.29Å; R1781-T1784 VanDerWaalsContact O-OG1 3.06Å; R1782-T1784 VanDerWaalsContact C-N 3.27Å; R1782-T1784 PolarHBondContact O-N 2.91Å; R1782-T1784 VanDerWaalsContact O-N 3.17Å; T1784-D1786 PolarHBondContact O-N 2.94Å; T1784-D1786 VanDerWaalsContact O-N 3.15Å; T1784-D1786 PolarHBondContact OG1-N 2.95Å; T1784-L1828 PolarHBondContact N-O 3.06Å
1785M91.9Very high90.7Very high71.2 Ų71.248.6 Ų48.635%0.35126%0.256SS..  trans53.430.3-175.4-55.3171.971.700113.7Q1787 L1828 Y1829 H1834M1785-Q1787 PolarHBondContact O-N 3.22Å; M1785-Q1787 VanDerWaalsContact O-N 3.16Å; M1785-Q1787 PolarHBondContact O-NE2 3.33Å; M1785-Q1787 VanDerWaalsContact O-NE2 3.17Å; M1785-L1828 PolarHBondContact N-O 3.11Å; M1785-L1828 VanDerWaalsContact N-O 3.16Å; M1785-Y1829 HydrophobicContact CB-CD1 4.47Å; M1785-Y1829 HydrophobicContact CB-CE1 4.09Å; M1785-Y1829 HydrophobicContact CE-CD1 3.78Å; M1785-Y1829 HydrophobicContact CE-CE1 3.42Å; M1785-Y1829 VanDerWaalsContact CE-CE1 3.46Å; M1785-Y1829 HydrophobicContact CG-CD1 3.82Å; M1785-Y1829 HydrophobicContact CG-CE1 3.86Å; M1785-Y1829 HydrophobicContact CG-CG 4.4Å; M1785-Y1829 HydrophobicContact SD-CD1 4.4Å; M1785-Y1829 HydrophobicContact SD-CE1 4.4Å; M1785-H1834 HydrophobicContact CE-CB 4.33Å
1786D92.4Very high90.3Very high35.8 Ų35.848.8 Ų48.819%0.19126%0.257CS..  trans-59.8118.5-176-174.7-3.9000112.4R1781 T1784 S1788 V1789 L1790 L1828R1781-D1786 HydrophobicContact CB-CB 4.48Å; R1781-D1786 WeakPolarHBondContact CD-OD2 3.48Å; R1781-D1786 IonicContact CZ-OD2 3.52Å; R1781-D1786 IonicContact NE-OD2 3.14Å; R1781-D1786 PolarHBondContact NE-OD2 2.95Å; R1781-D1786 IonicContact NH1-OD2 3.04Å; R1781-D1786 PolarHBondContact NH1-OD2 3.31Å; T1784-D1786 PolarHBondContact O-N 2.94Å; T1784-D1786 VanDerWaalsContact O-N 3.15Å; T1784-D1786 PolarHBondContact OG1-N 2.95Å; D1786-S1788 VanDerWaalsContact C-N 3.27Å; D1786-S1788 VanDerWaalsContact CG-OG 3.28Å; D1786-S1788 PolarHBondContact O-N 3Å; D1786-S1788 WeakPolarHBondContact OD1-CB 3.42Å; D1786-S1788 PolarHBondContact OD1-N 3.29Å; D1786-S1788 PolarHBondContact OD1-OG 3.07Å; D1786-S1788 PolarHBondContact OD2-OG 3.21Å; D1786-V1789 HydrophobicContact CB-CB 4.44Å; D1786-V1789 HydrophobicContact CB-CG2 4.33Å; D1786-V1789 PolarHBondContact O-N 2.9Å; D1786-V1789 WeakPolarHBondContact OD2-CG2 3.28Å; D1786-L1790 WeakPolarHBondContact O-CB 3.25Å; D1786-L1790 PolarHBondContact O-N 3.08Å; D1786-L1828 HydrophobicContact CB-CD1 4.15Å
1787Q91Very high90Very high97.2 Ų97.248.8 Ų48.845%0.45426%0.257SS..Hα-helixtrans-68.3-24.3-178.9-61-59.7-49.200113M1785 L1790 R1791 Y1829M1785-Q1787 PolarHBondContact O-N 3.22Å; M1785-Q1787 VanDerWaalsContact O-N 3.16Å; M1785-Q1787 PolarHBondContact O-NE2 3.33Å; M1785-Q1787 VanDerWaalsContact O-NE2 3.17Å; Q1787-L1790 PolarHBondContact O-N 3.4Å; Q1787-R1791 WeakPolarHBondContact O-CD 3.32Å; Q1787-R1791 VanDerWaalsContact O-CG 3.26Å; Q1787-R1791 WeakPolarHBondContact O-CG 3.32Å; Q1787-R1791 PolarHBondContact O-N 3.21Å; Q1787-R1791 VanDerWaalsContact O-N 3.11Å; Q1787-Y1829 PolarHBondContact NE2-OH 3.03Å
1788S89.6Confident89.2Confident72.6 Ų72.654.8 Ų54.851%0.50828%0.279SS..Hα-helixtrans-69.5-46.6176.876.70000111.1D1786 R1791 L1792D1786-S1788 VanDerWaalsContact C-N 3.27Å; D1786-S1788 VanDerWaalsContact CG-OG 3.28Å; D1786-S1788 PolarHBondContact O-N 3Å; D1786-S1788 WeakPolarHBondContact OD1-CB 3.42Å; D1786-S1788 PolarHBondContact OD1-N 3.29Å; D1786-S1788 PolarHBondContact OD1-OG 3.07Å; D1786-S1788 PolarHBondContact OD2-OG 3.21Å; S1788-R1791 PolarHBondContact O-N 3.34Å; S1788-L1792 PolarHBondContact O-N 3.33Å
1789V90.8Very high88.5Confident7.6 Ų7.657.3 Ų57.35%0.04630%0.295CS..Hα-helixtrans-69-38.1176-177.70000110.9L1777 R1781 D1786 R1791 L1792 I1793 L1828L1777-V1789 HydrophobicContact CB-CG1 4.36Å; L1777-V1789 HydrophobicContact CB-CG2 4.42Å; R1781-V1789 HydrophobicContact CB-CG2 4.47Å; R1781-V1789 HydrophobicContact CG-CG2 4.14Å; D1786-V1789 HydrophobicContact CB-CB 4.44Å; D1786-V1789 HydrophobicContact CB-CG2 4.33Å; D1786-V1789 PolarHBondContact O-N 2.9Å; D1786-V1789 WeakPolarHBondContact OD2-CG2 3.28Å; V1789-R1791 VanDerWaalsContact C-N 3.35Å; V1789-R1791 PolarHBondContact O-N 3.21Å; V1789-L1792 WeakPolarHBondContact O-CA 3.49Å; V1789-L1792 VanDerWaalsContact O-CB 3.24Å; V1789-L1792 WeakPolarHBondContact O-CB 3.35Å; V1789-L1792 PolarHBondContact O-N 3.01Å; V1789-L1792 VanDerWaalsContact O-N 3.14Å; V1789-I1793 HydrophobicContact CG1-CD1 4.08Å; V1789-I1793 HydrophobicContact CG1-CG1 4.36Å; V1789-I1793 WeakPolarHBondContact O-CG1 3.35Å; V1789-I1793 PolarHBondContact O-N 3.25Å; V1789-L1828 HydrophobicContact CB-CD1 4.43Å; V1789-L1828 HydrophobicContact CB-CD2 4.29Å; V1789-L1828 HydrophobicContact CG1-CD2 4.27Å
1790L91.5Very high87.9Confident28.4 Ų28.458.1 Ų58.115%0.14930%0.297CS..Hα-helixtrans-58.1-44.7175179.166.1000112.6D1786 Q1787 L1792 I1793 A1794 L1800 L1825 L1828 Y1829D1786-L1790 WeakPolarHBondContact O-CB 3.25Å; D1786-L1790 PolarHBondContact O-N 3.08Å; Q1787-L1790 PolarHBondContact O-N 3.4Å; L1790-L1792 VanDerWaalsContact C-N 3.26Å; L1790-L1792 PolarHBondContact O-N 3.09Å; L1790-I1793 PolarHBondContact O-N 3.12Å; L1790-A1794 WeakPolarHBondContact O-CB 3.31Å; L1790-A1794 PolarHBondContact O-N 3.27Å; L1790-L1800 HydrophobicContact CD1-CD1 4.15Å; L1790-L1825 HydrophobicContact CD1-CD1 3.59Å; L1790-L1828 HydrophobicContact CB-CD2 4.18Å; L1790-Y1829 HydrophobicContact CD1-CE2 4.16Å; L1790-Y1829 WeakPolarHBondContact CD2-OH 3.3Å
1791R89.1Confident87.3Confident185.6 Ų185.660 Ų6070%0.730%0.301SS*.Hα-helixtrans-62.5-35.4177.3-72170.8-167.7178.94.3112Q1787 S1788 V1789 A1794Q1787-R1791 WeakPolarHBondContact O-CD 3.32Å; Q1787-R1791 VanDerWaalsContact O-CG 3.26Å; Q1787-R1791 WeakPolarHBondContact O-CG 3.32Å; Q1787-R1791 PolarHBondContact O-N 3.21Å; Q1787-R1791 VanDerWaalsContact O-N 3.11Å; S1788-R1791 PolarHBondContact O-N 3.34Å; V1789-R1791 VanDerWaalsContact C-N 3.35Å; V1789-R1791 PolarHBondContact O-N 3.21Å; R1791-A1794 PolarHBondContact O-N 2.86Å
1792L87.6Confident86.3Confident41 Ų4160.6 Ų60.622%0.21532%0.316CS..Hα-helixtrans-66.1-47.4175-166.4107.1000111I1758 L1762 L1774 L1777 S1788 V1789 L1790 A1794 V1795 H1796I1758-L1792 HydrophobicContact CG2-CD1 3.79Å; I1758-L1792 HydrophobicContact CG2-CD2 4.2Å; L1762-L1792 HydrophobicContact CD1-CD1 3.51Å; L1762-L1792 HydrophobicContact CD1-CD2 3.79Å; L1762-L1792 HydrophobicContact CD1-CG 3.68Å; L1774-L1792 HydrophobicContact CD2-CD2 3.83Å; L1774-L1792 VanDerWaalsContact CD2-CD2 3.46Å; L1774-L1792 HydrophobicContact CD2-CG 4.34Å; L1774-L1792 HydrophobicContact CG-CD2 4.45Å; L1777-L1792 HydrophobicContact CD1-CD1 3.85Å; L1777-L1792 HydrophobicContact CD1-CD2 3.54Å; L1777-L1792 VanDerWaalsContact CD1-CD2 3.48Å; S1788-L1792 PolarHBondContact O-N 3.33Å; V1789-L1792 WeakPolarHBondContact O-CA 3.49Å; V1789-L1792 VanDerWaalsContact O-CB 3.24Å; V1789-L1792 WeakPolarHBondContact O-CB 3.35Å; V1789-L1792 PolarHBondContact O-N 3.01Å; V1789-L1792 VanDerWaalsContact O-N 3.14Å; L1790-L1792 VanDerWaalsContact C-N 3.26Å; L1790-L1792 PolarHBondContact O-N 3.09Å; L1792-A1794 VanDerWaalsContact C-N 3.3Å; L1792-A1794 PolarHBondContact O-N 3.24Å; L1792-V1795 PolarHBondContact O-N 3.19Å; L1792-H1796 PolarHBondContact O-CD2 3.07Å; L1792-H1796 VanDerWaalsContact O-CD2 3.32Å
1793I88.7Confident84.8Confident0.2 Ų0.260.3 Ų60.30%0.00133%0.332CS..Hα-helixtrans-58.5-41.4174.6-65.8166.8000110.9L1774 C1778 V1789 L1790 V1795 H1796 Y1797 L1800 A1821 L1825 L1828L1774-I1793 HydrophobicContact CD2-CG1 4.31Å; C1778-I1793 VanDerWaalsContact SG-CD1 3.57Å; V1789-I1793 HydrophobicContact CG1-CD1 4.08Å; V1789-I1793 HydrophobicContact CG1-CG1 4.36Å; V1789-I1793 WeakPolarHBondContact O-CG1 3.35Å; V1789-I1793 PolarHBondContact O-N 3.25Å; L1790-I1793 PolarHBondContact O-N 3.12Å; I1793-V1795 PolarHBondContact O-N 3.12Å; I1793-V1795 VanDerWaalsContact O-N 3.15Å; I1793-H1796 CarbonylContact O-C 3.51Å; I1793-H1796 WeakPolarHBondContact O-CA 3.41Å; I1793-H1796 PolarHBondContact O-N 3.15Å; I1793-Y1797 PolarHBondContact O-N 3.2Å; I1793-L1800 HydrophobicContact CG2-CD1 3.98Å; I1793-A1821 HydrophobicContact CG2-CB 4.05Å; I1793-A1821 WeakPolarHBondContact CG2-O 3.29Å; I1793-L1825 HydrophobicContact CD1-CD1 4.47Å; I1793-L1825 HydrophobicContact CG2-CB 4.45Å; I1793-L1828 HydrophobicContact CD1-CD2 3.98Å
1794A86.7Confident83Confident18 Ų1863.1 Ų63.115%0.14934%0.338CS..Hα-helixtrans-60.5-27.7-176.900000113.7L1790 R1791 L1792 H1796 L1800 L1801L1790-A1794 WeakPolarHBondContact O-CB 3.31Å; L1790-A1794 PolarHBondContact O-N 3.27Å; R1791-A1794 PolarHBondContact O-N 2.86Å; L1792-A1794 VanDerWaalsContact C-N 3.3Å; L1792-A1794 PolarHBondContact O-N 3.24Å; A1794-H1796 VanDerWaalsContact C-N 3.3Å; A1794-H1796 PolarHBondContact O-N 3.19Å; A1794-L1800 HydrophobicContact CB-CB 3.83Å; A1794-L1800 HydrophobicContact CB-CD1 4.24Å; A1794-L1801 VanDerWaalsContact O-CD2 3.31Å; A1794-L1801 WeakPolarHBondContact O-CD2 3.33Å; A1794-L1801 WeakPolarHBondContact O-CG 3.29Å
1795V84.5Confident81.2Confident75.6 Ų75.663.8 Ų63.846%0.45834%0.344SS..Hα-helixtrans-69.3-30.5173.4-179.70000111.8L1792 I1793L1792-V1795 PolarHBondContact O-N 3.19Å; I1793-V1795 PolarHBondContact O-N 3.12Å; I1793-V1795 VanDerWaalsContact O-N 3.15Å
1796H84.1Confident79.1Confident22 Ų2268.2 Ų68.210%0.10237%0.368CS..Hα-helixtrans-99.4-9.4-177.5-62.7-74.7000113.9L1774 L1792 I1793 A1794 V1813 A1821L1774-H1796 HydrophobicContact CD1-CB 3.94Å; L1792-H1796 PolarHBondContact O-CD2 3.07Å; L1792-H1796 VanDerWaalsContact O-CD2 3.32Å; I1793-H1796 CarbonylContact O-C 3.51Å; I1793-H1796 WeakPolarHBondContact O-CA 3.41Å; I1793-H1796 PolarHBondContact O-N 3.15Å; A1794-H1796 VanDerWaalsContact C-N 3.3Å; A1794-H1796 PolarHBondContact O-N 3.19Å; H1796-V1813 HydrophobicContact CB-CG1 4.34Å; H1796-V1813 WeakPolarHBondContact O-CG1 3.39Å; H1796-A1821 HydrophobicContact CB-CB 4.23Å
1797Y85.8Confident77.3Confident0.2 Ų0.271.6 Ų71.60%0.00139%0.385CS..  trans-125.4100.4179.7-175.6-132.5000111.4I1793 P1799 L1800 I1822 L1825 L1840 E1844I1793-Y1797 PolarHBondContact O-N 3.2Å; Y1797-P1799 VanDerWaalsContact C-CD 3.45Å; Y1797-P1799 VanDerWaalsContact C-N 3.35Å; Y1797-P1799 HydrophobicContact CD1-CB 4.48Å; Y1797-P1799 VanDerWaalsContact CD2-CD 3.45Å; Y1797-P1799 HydrophobicContact CD2-CG 4.3Å; Y1797-P1799 HydrophobicContact CE1-CB 4.16Å; Y1797-P1799 HydrophobicContact CE1-CG 4.26Å; Y1797-P1799 VanDerWaalsContact CE2-CD 3.43Å; Y1797-P1799 HydrophobicContact CE2-CG 3.65Å; Y1797-P1799 VanDerWaalsContact CZ-CD 3.47Å; Y1797-P1799 VanDerWaalsContact CZ-CG 3.43Å; Y1797-P1799 VanDerWaalsContact O-N 3.12Å; Y1797-P1799 WeakPolarHBondContact OH-CG 3.46Å; Y1797-L1800 HydrophobicContact CD1-CB 4.26Å; Y1797-L1800 HydrophobicContact CD1-CD1 3.79Å; Y1797-L1800 HydrophobicContact CD1-CG 3.78Å; Y1797-L1800 HydrophobicContact CE1-CG 4.35Å; Y1797-L1800 WeakPolarHBondContact O-CB 3.47Å; Y1797-L1800 PolarHBondContact O-N 3.16Å; Y1797-L1800 VanDerWaalsContact O-N 3.11Å; Y1797-I1822 HydrophobicContact CD1-CG1 4.36Å; Y1797-I1822 HydrophobicContact CD2-CD1 4.19Å; Y1797-I1822 HydrophobicContact CD2-CG1 3.64Å; Y1797-I1822 HydrophobicContact CE1-CG1 4.07Å; Y1797-I1822 HydrophobicContact CE2-CD1 3.56Å; Y1797-I1822 HydrophobicContact CE2-CG1 3.29Å; Y1797-I1822 HydrophobicContact CG-CG1 4.29Å; Y1797-I1822 VanDerWaalsContact CZ-CG1 3.49Å; Y1797-L1825 HydrophobicContact CD1-CD2 4.43Å; Y1797-L1825 HydrophobicContact CE1-CD2 4.3Å; Y1797-L1840 HydrophobicContact CE1-CD1 4.22Å; Y1797-L1840 HydrophobicContact CE1-CD2 3.45Å; Y1797-L1840 VanDerWaalsContact CE1-CD2 3.48Å; Y1797-L1840 HydrophobicContact CE1-CG 4.27Å; Y1797-L1840 VanDerWaalsContact CZ-CD2 3.48Å; Y1797-L1840 VanDerWaalsContact OH-CD2 3.3Å; Y1797-L1840 WeakPolarHBondContact OH-CD2 3.34Å; Y1797-E1844 HydrophobicContact CE2-CG 4.46Å; Y1797-E1844 VanDerWaalsContact OH-CG 3.3Å; Y1797-E1844 WeakPolarHBondContact OH-CG 3.31Å; Y1797-E1844 PolarHBondContact OH-OE2 3.03Å; Y1797-E1844 VanDerWaalsContact OH-OE2 3.12Å
1798R77Confident75.4Confident133.2 Ų133.272 Ų7250%0.50339%0.391SS..G310 helixtrans-50.6-41-170-159.9175.8176.7-160.4-6.6115.2L1800 L1801 Q1818 D1852R1798-L1800 VanDerWaalsContact C-N 3.25Å; R1798-L1800 PolarHBondContact O-N 3.13Å; R1798-L1800 VanDerWaalsContact O-N 3.16Å; R1798-L1801 WeakPolarHBondContact O-CB 3.41Å; R1798-L1801 PolarHBondContact O-N 3.09Å; R1798-L1801 VanDerWaalsContact O-N 3.09Å; R1798-Q1818 VanDerWaalsContact NE-NE2 3.12Å; R1798-D1852 IonicContact CZ-OD1 3.56Å; R1798-D1852 VanDerWaalsContact CZ-OD1 3.31Å; R1798-D1852 IonicContact CZ-OD2 3.16Å; R1798-D1852 VanDerWaalsContact CZ-OD2 3.27Å; R1798-D1852 IonicContact NH1-OD1 2.73Å; R1798-D1852 PolarHBondContact NH1-OD1 3.4Å; R1798-D1852 IonicContact NH1-OD2 2.68Å; R1798-D1852 PolarHBondContact NH1-OD2 2.84Å; R1798-D1852 IonicContact NH2-OD1 3.41Å; R1798-D1852 PolarHBondContact NH2-OD1 3.12Å; R1798-D1852 IonicContact NH2-OD2 3.56Å; R1798-D1852 PolarHBondContact NH2-OD2 3.39Å
1799P78.4Confident73.8Confident52 Ų5273.5 Ų73.534%0.33840%0.397SS..G310 helixtrans-68.3-11.9-179.2-22.135.7000115.6Y1797 L1840 E1844Y1797-P1799 VanDerWaalsContact C-CD 3.45Å; Y1797-P1799 VanDerWaalsContact C-N 3.35Å; Y1797-P1799 HydrophobicContact CD1-CB 4.48Å; Y1797-P1799 VanDerWaalsContact CD2-CD 3.45Å; Y1797-P1799 HydrophobicContact CD2-CG 4.3Å; Y1797-P1799 HydrophobicContact CE1-CB 4.16Å; Y1797-P1799 HydrophobicContact CE1-CG 4.26Å; Y1797-P1799 VanDerWaalsContact CE2-CD 3.43Å; Y1797-P1799 HydrophobicContact CE2-CG 3.65Å; Y1797-P1799 VanDerWaalsContact CZ-CD 3.47Å; Y1797-P1799 VanDerWaalsContact CZ-CG 3.43Å; Y1797-P1799 VanDerWaalsContact O-N 3.12Å; Y1797-P1799 WeakPolarHBondContact OH-CG 3.46Å; P1799-L1840 HydrophobicContact CB-CD1 4.36Å; P1799-L1840 HydrophobicContact CB-CD2 3.99Å; P1799-L1840 HydrophobicContact CB-CG 4.31Å; P1799-L1840 HydrophobicContact CG-CD2 4.42Å; P1799-E1844 WeakPolarHBondContact CG-OE2 3.38Å
1800L80.8Confident72.1Confident35 Ų3581.5 Ų81.518%0.18343%0.434CS..G310 helixtrans-84.1-12.3172-73.4173.5000113L1790 I1793 A1794 Y1797 R1798 L1825 L1840L1790-L1800 HydrophobicContact CD1-CD1 4.15Å; I1793-L1800 HydrophobicContact CG2-CD1 3.98Å; A1794-L1800 HydrophobicContact CB-CB 3.83Å; A1794-L1800 HydrophobicContact CB-CD1 4.24Å; Y1797-L1800 HydrophobicContact CD1-CB 4.26Å; Y1797-L1800 HydrophobicContact CD1-CD1 3.79Å; Y1797-L1800 HydrophobicContact CD1-CG 3.78Å; Y1797-L1800 HydrophobicContact CE1-CG 4.35Å; Y1797-L1800 WeakPolarHBondContact O-CB 3.47Å; Y1797-L1800 PolarHBondContact O-N 3.16Å; Y1797-L1800 VanDerWaalsContact O-N 3.11Å; R1798-L1800 VanDerWaalsContact C-N 3.25Å; R1798-L1800 PolarHBondContact O-N 3.13Å; R1798-L1800 VanDerWaalsContact O-N 3.16Å; L1800-L1825 HydrophobicContact CD1-CD1 4.42Å; L1800-L1825 HydrophobicContact CD1-CD2 4.35Å; L1800-L1840 HydrophobicContact CD2-CD1 3.57Å; L1800-L1840 VanDerWaalsContact CD2-CD1 3.48Å; L1800-L1840 HydrophobicContact CG-CD1 4.08Å
1801L77.1Confident70.8Confident62.2 Ų62.284 Ų8433%0.32645%0.447SS..SBendtrans-79.2140176.6-63.6171.7000110A1794 R1798 S1803 I1807 L1811A1794-L1801 VanDerWaalsContact O-CD2 3.31Å; A1794-L1801 WeakPolarHBondContact O-CD2 3.33Å; A1794-L1801 WeakPolarHBondContact O-CG 3.29Å; R1798-L1801 WeakPolarHBondContact O-CB 3.41Å; R1798-L1801 PolarHBondContact O-N 3.09Å; R1798-L1801 VanDerWaalsContact O-N 3.09Å; L1801-S1803 PolarHBondContact O-N 3.13Å; L1801-I1807 HydrophobicContact CD1-CG2 4.42Å; L1801-L1811 HydrophobicContact CD1-CD1 4.05Å
1802P68.1Low69.8Low95.6 Ų95.680.7 Ų80.762%0.62145%0.452SS*.  trans-56.5130.6173.4-23.833.5000111N1804P1802-N1804 PolarHBondContact O-N 2.92Å
1803S60.8Low69.2Low115.4 Ų115.479.8 Ų79.881%0.80745%0.448SS*.  trans-70.125.8-178.851.60000114.6L1801 P1805L1801-S1803 PolarHBondContact O-N 3.13Å; S1803-P1805 WeakPolarHBondContact O-CD 3.41Å
1804N54.9Low68.8Low96 Ų9681.6 Ų81.651%0.51346%0.46SS..  trans-67118.1179.4-81.7-29.9000109.9P1802 L1806 I1807P1802-N1804 PolarHBondContact O-N 2.92Å; N1804-L1806 PolarHBondContact O-N 3.28Å; N1804-L1806 VanDerWaalsContact O-N 3.14Å; N1804-I1807 HydrophobicContact CB-CD1 4.09Å; N1804-I1807 HydrophobicContact CB-CG1 4.34Å; N1804-I1807 PolarHBondContact O-N 3.2Å; N1804-I1807 VanDerWaalsContact O-N 3.1Å
1805P53.9Low68.5Low95 Ų9583.3 Ų83.362%0.61747%0.467SS*.G310 helixtrans-64.1-17.5-172.624.9-34.7000113.8S1803 I1807 N1808 V1809S1803-P1805 WeakPolarHBondContact O-CD 3.41Å; P1805-I1807 VanDerWaalsContact C-N 3.29Å; P1805-I1807 PolarHBondContact O-N 3.05Å; P1805-N1808 PolarHBondContact O-N 3.4Å; P1805-N1808 PolarHBondContact O-ND2 2.97Å; P1805-V1809 PolarHBondContact O-N 3.44Å
1806L48.9Very low68.5Low163 Ų16380.5 Ų80.585%0.85345%0.449SS*.G310 helixtrans-74.6-16.8176.4-64.4171.8000113.7N1804N1804-L1806 PolarHBondContact O-N 3.28Å; N1804-L1806 VanDerWaalsContact O-N 3.14Å
1807I54.5Low68.7Low107.4 Ų107.479.5 Ų79.555%0.55144%0.444SS*.G310 helixtrans-119.630.4-177-47.2178.4000109.8L1801 N1804 P1805 V1809 Q1810 L1811L1801-I1807 HydrophobicContact CD1-CG2 4.42Å; N1804-I1807 HydrophobicContact CB-CD1 4.09Å; N1804-I1807 HydrophobicContact CB-CG1 4.34Å; N1804-I1807 PolarHBondContact O-N 3.2Å; N1804-I1807 VanDerWaalsContact O-N 3.1Å; P1805-I1807 VanDerWaalsContact C-N 3.29Å; P1805-I1807 PolarHBondContact O-N 3.05Å; I1807-V1809 VanDerWaalsContact C-N 3.34Å; I1807-V1809 HydrophobicContact CG2-CG2 3.95Å; I1807-V1809 PolarHBondContact O-N 3.3Å; I1807-Q1810 PolarHBondContact O-N 3.05Å; I1807-L1811 HydrophobicContact CG2-CD1 3.81Å
1808N51.5Low68.8Low106 Ų10680.9 Ų80.957%0.56745%0.451SS*.  trans-72.849.9172.1-79.6-16.3000111.3P1805 Q1810P1805-N1808 PolarHBondContact O-N 3.4Å; P1805-N1808 PolarHBondContact O-ND2 2.97Å; N1808-Q1810 PolarHBondContact O-N 3.12Å; N1808-Q1810 VanDerWaalsContact O-N 3.14Å
1809V56Low69.4Low103.8 Ų103.874.6 Ų74.663%0.62943%0.428SS*.  trans-70.4102.2171.7-176.40000108.4P1805 I1807 L1811P1805-V1809 PolarHBondContact O-N 3.44Å; I1807-V1809 VanDerWaalsContact C-N 3.34Å; I1807-V1809 HydrophobicContact CG2-CG2 3.95Å; I1807-V1809 PolarHBondContact O-N 3.3Å; V1809-L1811 HydrophobicContact CB-CD1 4.28Å; V1809-L1811 HydrophobicContact CB-CG 4.42Å; V1809-L1811 HydrophobicContact CG1-CD1 4.13Å; V1809-L1811 HydrophobicContact CG1-CD2 4.17Å; V1809-L1811 HydrophobicContact CG1-CG 3.94Å; V1809-L1811 PolarHBondContact O-N 3.16Å
1810Q55.4Low70Confident176.8 Ų176.872.3 Ų72.383%0.82641%0.412SS*.  trans-75.761.2177.8-70.1-177.8-1700111.1I1807 N1808 S1812I1807-Q1810 PolarHBondContact O-N 3.05Å; N1808-Q1810 PolarHBondContact O-N 3.12Å; N1808-Q1810 VanDerWaalsContact O-N 3.14Å; Q1810-S1812 PolarHBondContact O-N 3.05Å; Q1810-S1812 VanDerWaalsContact O-N 3.11Å
1811L63.7Low70.6Confident80.8 Ų80.870.6 Ų70.642%0.42340%0.404SS..  trans-79.198174.5-72.8160000109.4L1801 I1807 V1809 V1813L1801-L1811 HydrophobicContact CD1-CD1 4.05Å; I1807-L1811 HydrophobicContact CG2-CD1 3.81Å; V1809-L1811 HydrophobicContact CB-CD1 4.28Å; V1809-L1811 HydrophobicContact CB-CG 4.42Å; V1809-L1811 HydrophobicContact CG1-CD1 4.13Å; V1809-L1811 HydrophobicContact CG1-CD2 4.17Å; V1809-L1811 HydrophobicContact CG1-CG 3.94Å; V1809-L1811 PolarHBondContact O-N 3.16Å; L1811-V1813 VanDerWaalsContact C-N 3.25Å; L1811-V1813 HydrophobicContact CB-CG2 4.13Å; L1811-V1813 PolarHBondContact O-N 3.12Å
1812S67.7Low71.3Confident115.8 Ų115.867.7 Ų67.781%0.8139%0.388SS*.  trans-73.674.3172.2570000110.7Q1810 P1814Q1810-S1812 PolarHBondContact O-N 3.05Å; Q1810-S1812 VanDerWaalsContact O-N 3.11Å; S1812-P1814 WeakPolarHBondContact O-CD 3.16Å
1813V75Confident72.6Confident21.2 Ų21.264.4 Ų64.413%0.12836%0.364CS..  trans-80.1126.9178.5-171.40000110.2H1796 L1811 C1817 Q1818H1796-V1813 HydrophobicContact CB-CG1 4.34Å; H1796-V1813 WeakPolarHBondContact O-CG1 3.39Å; L1811-V1813 VanDerWaalsContact C-N 3.25Å; L1811-V1813 HydrophobicContact CB-CG2 4.13Å; L1811-V1813 PolarHBondContact O-N 3.12Å; V1813-C1817 HydrophobicContact CG1-CB 3.94Å; V1813-Q1818 HydrophobicContact CB-CG 4.03Å; V1813-Q1818 HydrophobicContact CG1-CG 3.82Å; V1813-Q1818 PolarHBondContact O-NE2 3.31Å
1814P79.7Confident74.2Confident38 Ų3858.9 Ų58.925%0.24733%0.326CS..  trans-58.3139.9177.4-23.231.8000112.9D1767 S1812 L1816 C1817 Q1818D1767-P1814 HydrophobicContact CB-CB 4.45Å; D1767-P1814 WeakPolarHBondContact OD1-CG 3.36Å; S1812-P1814 WeakPolarHBondContact O-CD 3.16Å; P1814-L1816 VanDerWaalsContact C-N 3.27Å; P1814-L1816 PolarHBondContact O-N 3.03Å; P1814-L1816 VanDerWaalsContact O-N 3.13Å; P1814-C1817 HydrophobicContact CB-CB 4.46Å; P1814-C1817 WeakPolarHBondContact O-CA 3.29Å; P1814-C1817 VanDerWaalsContact O-CB 3.32Å; P1814-C1817 WeakPolarHBondContact O-CB 3.38Å; P1814-C1817 PolarHBondContact O-N 3.23Å; P1814-Q1818 PolarHBondContact O-N 3.23Å; P1814-Q1818 VanDerWaalsContact O-N 3.08Å
1815N81Confident76Confident55 Ų5554.3 Ų54.329%0.29430%0.301SS..Hα-helixtrans-55.6-37.4-177.9-64.4-4.3000112.9C1817 Q1818 A1819 S1900 M1904N1815-C1817 VanDerWaalsContact C-N 3.31Å; N1815-C1817 PolarHBondContact O-N 3.2Å; N1815-Q1818 PolarHBondContact O-N 3.19Å; N1815-Q1818 VanDerWaalsContact O-N 3.15Å; N1815-A1819 WeakPolarHBondContact O-CB 3.4Å; N1815-A1819 PolarHBondContact O-N 3.35Å; N1815-S1900 WeakPolarHBondContact CB-OG 3.4Å; N1815-S1900 VanDerWaalsContact ND2-CB 3.34Å; N1815-S1900 WeakPolarHBondContact ND2-CB 3.37Å; N1815-S1900 PolarHBondContact ND2-OG 3.17Å; N1815-M1904 HydrophobicContact CB-CE 3.8Å
1816L84.4Confident78Confident16.4 Ų16.449.8 Ų49.89%0.08627%0.272CS..Hα-helixtrans-60.8-38.8175.5-157.485.3000112.5W1677 D1767 L1768 M1771 P1814 A1820 G1891 L1903 N2539 L2543W1677-L1816 HydrophobicContact CH2-CD1 4.26Å; W1677-L1816 HydrophobicContact CH2-CD2 4.34Å; W1677-L1816 HydrophobicContact CZ2-CD1 4.02Å; W1677-L1816 HydrophobicContact CZ2-CD2 3.97Å; W1677-L1816 HydrophobicContact CZ2-CG 4.42Å; D1767-L1816 HydrophobicContact CB-CD2 4.21Å; L1768-L1816 HydrophobicContact CD2-CD2 3.8Å; M1771-L1816 HydrophobicContact CB-CD2 4.43Å; M1771-L1816 HydrophobicContact CB-CG 4.5Å; M1771-L1816 HydrophobicContact CE-CD2 4.41Å; M1771-L1816 HydrophobicContact CG-CG 4.38Å; M1771-L1816 HydrophobicContact SD-CD1 3.94Å; M1771-L1816 HydrophobicContact SD-CD2 3.86Å; M1771-L1816 HydrophobicContact SD-CG 3.9Å; P1814-L1816 VanDerWaalsContact C-N 3.27Å; P1814-L1816 PolarHBondContact O-N 3.03Å; P1814-L1816 VanDerWaalsContact O-N 3.13Å; L1816-A1820 VanDerWaalsContact O-CB 3.28Å; L1816-A1820 WeakPolarHBondContact O-CB 3.33Å; L1816-A1820 PolarHBondContact O-N 3.06Å; L1816-A1820 VanDerWaalsContact O-N 3.13Å; L1816-G1891 VanDerWaalsContact CD1-O 3.29Å; L1816-G1891 WeakPolarHBondContact CD1-O 3.37Å; L1816-L1903 HydrophobicContact CD1-CD2 4.37Å; L1816-L1903 HydrophobicContact CD2-CD2 4.07Å; L1816-N2539 HydrophobicContact CD2-CB 3.93Å; L1816-L2543 HydrophobicContact CD1-CD1 3.24Å; L1816-L2543 HydrophobicContact CD2-CD1 3.7Å; L1816-L2543 HydrophobicContact CG-CD1 4.27Å
1817C87.3Confident80.2Confident0.2 Ų0.242.5 Ų42.50%0.00123%0.234CC..Hα-helixtrans-72.4-37.1176.7-790000111.3D1767 L1774 V1813 P1814 N1815 A1820 A1821D1767-C1817 PolarHBondContact O-SG 2.87Å; L1774-C1817 VanDerWaalsContact CD1-SG 3.57Å; V1813-C1817 HydrophobicContact CG1-CB 3.94Å; P1814-C1817 HydrophobicContact CB-CB 4.46Å; P1814-C1817 WeakPolarHBondContact O-CA 3.29Å; P1814-C1817 VanDerWaalsContact O-CB 3.32Å; P1814-C1817 WeakPolarHBondContact O-CB 3.38Å; P1814-C1817 PolarHBondContact O-N 3.23Å; N1815-C1817 VanDerWaalsContact C-N 3.31Å; N1815-C1817 PolarHBondContact O-N 3.2Å; C1817-A1820 PolarHBondContact O-N 3.2Å; C1817-A1821 VanDerWaalsContact O-CB 3.26Å; C1817-A1821 WeakPolarHBondContact O-CB 3.38Å; C1817-A1821 PolarHBondContact O-N 3.06Å
1818Q88.2Confident82.1Confident29.8 Ų29.837.4 Ų37.414%0.13921%0.208CC..Hα-helixtrans-64.9-46.7174.9-60.4-172.739.200111.5R1798 V1813 P1814 N1815 A1820 A1821 I1822 M1904R1798-Q1818 VanDerWaalsContact NE-NE2 3.12Å; V1813-Q1818 HydrophobicContact CB-CG 4.03Å; V1813-Q1818 HydrophobicContact CG1-CG 3.82Å; V1813-Q1818 PolarHBondContact O-NE2 3.31Å; P1814-Q1818 PolarHBondContact O-N 3.23Å; P1814-Q1818 VanDerWaalsContact O-N 3.08Å; N1815-Q1818 PolarHBondContact O-N 3.19Å; N1815-Q1818 VanDerWaalsContact O-N 3.15Å; Q1818-A1820 VanDerWaalsContact C-N 3.31Å; Q1818-A1820 PolarHBondContact O-N 3.21Å; Q1818-A1821 WeakPolarHBondContact O-CB 3.36Å; Q1818-A1821 PolarHBondContact O-N 3.01Å; Q1818-A1821 VanDerWaalsContact O-N 3.1Å; Q1818-I1822 WeakPolarHBondContact O-CG1 3.4Å; Q1818-I1822 PolarHBondContact O-N 3.18Å; Q1818-M1904 HydrophobicContact CB-CE 3.7Å; Q1818-M1904 VanDerWaalsContact CB-CE 3.49Å; Q1818-M1904 HydrophobicContact CB-SD 3.94Å
1819A89.4Confident84.2Confident2.2 Ų2.232.6 Ų32.62%0.01818%0.182CC..Hα-helixtrans-61-40.9176.400000112N1815 A1821 I1822 F1823 L1903 M1904N1815-A1819 WeakPolarHBondContact O-CB 3.4Å; N1815-A1819 PolarHBondContact O-N 3.35Å; A1819-A1821 VanDerWaalsContact C-N 3.33Å; A1819-A1821 PolarHBondContact O-N 3.45Å; A1819-I1822 PolarHBondContact O-N 3.14Å; A1819-F1823 WeakPolarHBondContact O-CB 3.36Å; A1819-F1823 PolarHBondContact O-N 3.17Å; A1819-L1903 HydrophobicContact CB-CD1 4.36Å; A1819-L1903 HydrophobicContact CB-CD2 3.91Å; A1819-L1903 HydrophobicContact CB-CG 3.78Å; A1819-M1904 VanDerWaalsContact CA-SD 3.59Å; A1819-M1904 WeakPolarHBondContact CA-SD 3.27Å; A1819-M1904 HydrophobicContact CB-CG 4.5Å; A1819-M1904 HydrophobicContact CB-SD 3.8Å; A1819-M1904 PolarHBondContact N-SD 3.16Å; A1819-M1904 VanDerWaalsContact N-SD 3.44Å
1820A92.1Very high86Confident2.6 Ų2.629.1 Ų29.12%0.02116%0.159CC..Hα-helixtrans-65.2-36.4173.800000113M1771 L1775 L1816 C1817 Q1818 G1824 L2543M1771-A1820 HydrophobicContact CB-CB 4.28Å; M1771-A1820 HydrophobicContact CG-CB 3.67Å; L1775-A1820 HydrophobicContact CD1-CB 4.16Å; L1775-A1820 HydrophobicContact CD2-CB 4.24Å; L1775-A1820 VanDerWaalsContact CD2-O 3.28Å; L1775-A1820 WeakPolarHBondContact CD2-O 3.39Å; L1775-A1820 HydrophobicContact CG-CB 3.98Å; L1816-A1820 VanDerWaalsContact O-CB 3.28Å; L1816-A1820 WeakPolarHBondContact O-CB 3.33Å; L1816-A1820 PolarHBondContact O-N 3.06Å; L1816-A1820 VanDerWaalsContact O-N 3.13Å; C1817-A1820 PolarHBondContact O-N 3.2Å; Q1818-A1820 VanDerWaalsContact C-N 3.31Å; Q1818-A1820 PolarHBondContact O-N 3.21Å; A1820-G1824 WeakPolarHBondContact O-CA 3.46Å; A1820-G1824 PolarHBondContact O-N 3.16Å; A1820-L2543 HydrophobicContact CB-CD2 4.23Å
1821A92.3Very high87.7Confident0 Ų021.6 Ų21.60%013%0.128CC..Hα-helixtrans-69.4-41.1175.600000112L1774 I1793 H1796 C1817 Q1818 A1819 G1824 L1825L1774-A1821 HydrophobicContact CD1-CB 4.42Å; I1793-A1821 HydrophobicContact CG2-CB 4.05Å; I1793-A1821 WeakPolarHBondContact CG2-O 3.29Å; H1796-A1821 HydrophobicContact CB-CB 4.23Å; C1817-A1821 VanDerWaalsContact O-CB 3.26Å; C1817-A1821 WeakPolarHBondContact O-CB 3.38Å; C1817-A1821 PolarHBondContact O-N 3.06Å; Q1818-A1821 WeakPolarHBondContact O-CB 3.36Å; Q1818-A1821 PolarHBondContact O-N 3.01Å; Q1818-A1821 VanDerWaalsContact O-N 3.1Å; A1819-A1821 VanDerWaalsContact C-N 3.33Å; A1819-A1821 PolarHBondContact O-N 3.45Å; A1821-G1824 PolarHBondContact O-N 3.19Å; A1821-L1825 WeakPolarHBondContact O-CB 3.39Å; A1821-L1825 PolarHBondContact O-N 3.09Å
1822I93.3Very high89Confident0.2 Ų0.219.3 Ų19.30%0.00112%0.119CC..Hα-helixtrans-59.8-52.5172.6-69.5169.1000110.6Y1797 Q1818 A1819 G1824 L1825 G1826 L1841 E1844 M1904 S1907 A1908 A1911Y1797-I1822 HydrophobicContact CD1-CG1 4.36Å; Y1797-I1822 HydrophobicContact CD2-CD1 4.19Å; Y1797-I1822 HydrophobicContact CD2-CG1 3.64Å; Y1797-I1822 HydrophobicContact CE1-CG1 4.07Å; Y1797-I1822 HydrophobicContact CE2-CD1 3.56Å; Y1797-I1822 HydrophobicContact CE2-CG1 3.29Å; Y1797-I1822 HydrophobicContact CG-CG1 4.29Å; Y1797-I1822 VanDerWaalsContact CZ-CG1 3.49Å; Q1818-I1822 WeakPolarHBondContact O-CG1 3.4Å; Q1818-I1822 PolarHBondContact O-N 3.18Å; A1819-I1822 PolarHBondContact O-N 3.14Å; I1822-G1824 VanDerWaalsContact C-N 3.33Å; I1822-G1824 PolarHBondContact O-N 3.13Å; I1822-L1825 WeakPolarHBondContact O-CB 3.31Å; I1822-L1825 PolarHBondContact O-N 3.16Å; I1822-G1826 PolarHBondContact O-N 3.2Å; I1822-G1826 VanDerWaalsContact O-N 3.12Å; I1822-L1841 HydrophobicContact CG2-CD2 3.79Å; I1822-E1844 HydrophobicContact CD1-CG 4.01Å; I1822-M1904 HydrophobicContact CD1-CE 3.32Å; I1822-M1904 VanDerWaalsContact CD1-CE 3.44Å; I1822-M1904 HydrophobicContact CD1-SD 3.8Å; I1822-M1904 HydrophobicContact CG1-CE 4.34Å; I1822-S1907 WeakPolarHBondContact CG2-OG 3.4Å; I1822-A1908 VanDerWaalsContact CG2-CA 3.48Å; I1822-A1908 HydrophobicContact CG2-CB 4.01Å; I1822-A1911 HydrophobicContact CG2-CB 4.11Å; I1822-A1911 VanDerWaalsContact O-CB 3.31Å; I1822-A1911 WeakPolarHBondContact O-CB 3.36Å
1823F94.5Very high90.1Very high27 Ų2714.1 Ų14.112%0.1188%0.083CC..Hα-helixtrans-64.8-39.6179.9-175.1-98.4000111.8L1775 A1819 L1825 G1826 L1827 L1910 L1914 M2523 I2526 L2546 F2549L1775-F1823 HydrophobicContact CD2-CB 4.45Å; L1775-F1823 HydrophobicContact CD2-CD1 3.77Å; A1819-F1823 WeakPolarHBondContact O-CB 3.36Å; A1819-F1823 PolarHBondContact O-N 3.17Å; F1823-L1825 VanDerWaalsContact C-N 3.33Å; F1823-L1825 PolarHBondContact O-N 3.07Å; F1823-G1826 WeakPolarHBondContact O-CA 3.25Å; F1823-G1826 PolarHBondContact O-N 3.22Å; F1823-G1826 VanDerWaalsContact O-N 3.1Å; F1823-L1827 HydrophobicContact CD1-CD1 4.06Å; F1823-L1827 HydrophobicContact CD1-CG 4.14Å; F1823-L1827 HydrophobicContact CE1-CD1 3.78Å; F1823-L1827 HydrophobicContact CE1-CD2 3.83Å; F1823-L1827 HydrophobicContact CE1-CG 3.94Å; F1823-L1827 HydrophobicContact CZ-CD2 4.08Å; F1823-L1827 HydrophobicContact CZ-CG 4.32Å; F1823-L1827 PolarHBondContact O-N 3.22Å; F1823-L1827 VanDerWaalsContact O-N 3.1Å; F1823-L1910 HydrophobicContact CD2-CB 4.2Å; F1823-L1910 HydrophobicContact CE2-CB 4.11Å; F1823-L1910 HydrophobicContact CE2-CD1 4.34Å; F1823-L1914 HydrophobicContact CE2-CD1 3.96Å; F1823-L1914 HydrophobicContact CZ-CD1 4.12Å; F1823-M2523 HydrophobicContact CZ-CE 4.49Å; F1823-I2526 HydrophobicContact CE2-CD1 3.79Å; F1823-I2526 HydrophobicContact CE2-CG1 4.21Å; F1823-I2526 HydrophobicContact CE2-CG2 3.85Å; F1823-I2526 HydrophobicContact CZ-CD1 3.89Å; F1823-I2526 HydrophobicContact CZ-CG2 3.75Å; F1823-L2546 HydrophobicContact CD1-CD1 4.45Å; F1823-L2546 HydrophobicContact CD1-CD2 3.37Å; F1823-L2546 HydrophobicContact CD2-CD1 4Å; F1823-L2546 HydrophobicContact CD2-CD2 4.35Å; F1823-L2546 HydrophobicContact CE1-CD2 3.4Å; F1823-L2546 VanDerWaalsContact CE1-CD2 3.43Å; F1823-L2546 HydrophobicContact CE2-CD1 4.2Å; F1823-L2546 HydrophobicContact CE2-CD2 4.39Å; F1823-L2546 HydrophobicContact CG-CD1 4.13Å; F1823-L2546 HydrophobicContact CG-CD2 3.87Å; F1823-L2546 HydrophobicContact CZ-CD1 4.41Å; F1823-L2546 HydrophobicContact CZ-CD2 3.95Å; F1823-F2549 HydrophobicContact CD1-CE1 4.41Å; F1823-F2549 AromaticContact CE1-CD1 3.88Å; F1823-F2549 HydrophobicContact CE1-CD1 4Å; F1823-F2549 AromaticContact CE1-CE1 3.7Å; F1823-F2549 HydrophobicContact CE1-CE1 3.7Å; F1823-F2549 VanDerWaalsContact CE1-CE1 3.49Å; F1823-F2549 HydrophobicContact CE1-CZ 4.11Å; F1823-F2549 HydrophobicContact CZ-CD1 4.23Å; F1823-F2549 HydrophobicContact CZ-CE1 4.27Å
1824G93.7Very high90.9Very high0 Ų016.3 Ų16.30%09%0.092CC..Hα-helixtrans-60-39.8173.700000113.3C1778 A1820 A1821 I1822 G1826 L1827 L1828C1778-G1824 WeakPolarHBondContact CB-O 3.35Å; C1778-G1824 VanDerWaalsContact SG-CA 3.56Å; A1820-G1824 WeakPolarHBondContact O-CA 3.46Å; A1820-G1824 PolarHBondContact O-N 3.16Å; A1821-G1824 PolarHBondContact O-N 3.19Å; I1822-G1824 VanDerWaalsContact C-N 3.33Å; I1822-G1824 PolarHBondContact O-N 3.13Å; G1824-G1826 VanDerWaalsContact C-N 3.29Å; G1824-G1826 PolarHBondContact O-N 3.32Å; G1824-L1827 PolarHBondContact O-N 3.1Å; G1824-L1828 WeakPolarHBondContact O-CB 3.3Å; G1824-L1828 PolarHBondContact O-N 3.22Å
1825L94.5Very high91.5Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-59.9-40.8172.6-173.366.3000111.2L1790 I1793 Y1797 L1800 A1821 I1822 F1823 L1828 Y1829 I1837 L1840 L1841L1790-L1825 HydrophobicContact CD1-CD1 3.59Å; I1793-L1825 HydrophobicContact CD1-CD1 4.47Å; I1793-L1825 HydrophobicContact CG2-CB 4.45Å; Y1797-L1825 HydrophobicContact CD1-CD2 4.43Å; Y1797-L1825 HydrophobicContact CE1-CD2 4.3Å; L1800-L1825 HydrophobicContact CD1-CD1 4.42Å; L1800-L1825 HydrophobicContact CD1-CD2 4.35Å; A1821-L1825 WeakPolarHBondContact O-CB 3.39Å; A1821-L1825 PolarHBondContact O-N 3.09Å; I1822-L1825 WeakPolarHBondContact O-CB 3.31Å; I1822-L1825 PolarHBondContact O-N 3.16Å; F1823-L1825 VanDerWaalsContact C-N 3.33Å; F1823-L1825 PolarHBondContact O-N 3.07Å; L1825-L1828 PolarHBondContact O-N 2.99Å; L1825-Y1829 HydrophobicContact CD1-CD2 3.92Å; L1825-Y1829 HydrophobicContact CD1-CE2 4.04Å; L1825-Y1829 WeakPolarHBondContact O-CB 3.28Å; L1825-Y1829 PolarHBondContact O-N 3.31Å; L1825-Y1829 VanDerWaalsContact O-N 3.08Å; L1825-I1837 HydrophobicContact CD1-CD1 4.04Å; L1825-I1837 HydrophobicContact CD1-CG1 4.47Å; L1825-I1837 HydrophobicContact CD2-CG1 4.39Å; L1825-I1837 HydrophobicContact CD2-CG2 3.89Å; L1825-I1837 HydrophobicContact CG-CD1 4.37Å; L1825-I1837 HydrophobicContact CG-CG2 4.01Å; L1825-L1840 HydrophobicContact CD2-CD2 4.34Å; L1825-L1841 HydrophobicContact CD2-CD2 4.47Å
1826G94.4Very high92Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-61-41.8173.900000114I1822 F1823 G1824 Y1829 Q1830 L1914I1822-G1826 PolarHBondContact O-N 3.2Å; I1822-G1826 VanDerWaalsContact O-N 3.12Å; F1823-G1826 WeakPolarHBondContact O-CA 3.25Å; F1823-G1826 PolarHBondContact O-N 3.22Å; F1823-G1826 VanDerWaalsContact O-N 3.1Å; G1824-G1826 VanDerWaalsContact C-N 3.29Å; G1824-G1826 PolarHBondContact O-N 3.32Å; G1826-Y1829 CarbonylContact O-C 3.42Å; G1826-Q1830 WeakPolarHBondContact O-CA 3.36Å; G1826-Q1830 PolarHBondContact O-N 3.2Å; G1826-L1914 WeakPolarHBondContact O-CB 3.43Å
1827L94.9Very high92.3Very high9.2 Ų9.222 Ų225%0.04811%0.108CC..Hα-helixtrans-65.2-46174.3-66.4169.6000111.9C1778 A1779 R1782 G1783 F1823 G1824 Y1829 Q1830 L1914 M2523 F2549C1778-L1827 HydrophobicContact CB-CB 4.24Å; C1778-L1827 HydrophobicContact CB-CD1 3.88Å; A1779-L1827 HydrophobicContact CB-CD1 4.44Å; R1782-L1827 CarbonylContact C-O 3.58Å; R1782-L1827 WeakPolarHBondContact CA-O 3.26Å; R1782-L1827 HydrophobicContact CG-CB 4.38Å; R1782-L1827 HydrophobicContact CG-CD2 4.31Å; R1782-L1827 VanDerWaalsContact CG-O 3.3Å; R1782-L1827 WeakPolarHBondContact CG-O 3.4Å; G1783-L1827 PolarHBondContact N-O 3.11Å; F1823-L1827 HydrophobicContact CD1-CD1 4.06Å; F1823-L1827 HydrophobicContact CD1-CG 4.14Å; F1823-L1827 HydrophobicContact CE1-CD1 3.78Å; F1823-L1827 HydrophobicContact CE1-CD2 3.83Å; F1823-L1827 HydrophobicContact CE1-CG 3.94Å; F1823-L1827 HydrophobicContact CZ-CD2 4.08Å; F1823-L1827 HydrophobicContact CZ-CG 4.32Å; F1823-L1827 PolarHBondContact O-N 3.22Å; F1823-L1827 VanDerWaalsContact O-N 3.1Å; G1824-L1827 PolarHBondContact O-N 3.1Å; L1827-Y1829 VanDerWaalsContact C-N 3.29Å; L1827-Y1829 PolarHBondContact O-N 3.16Å; L1827-Q1830 WeakPolarHBondContact O-CB 3.3Å; L1827-Q1830 PolarHBondContact O-N 3.02Å; L1827-L1914 HydrophobicContact CD2-CD1 3.93Å; L1827-L1914 HydrophobicContact CG-CD1 4.34Å; L1827-M2523 HydrophobicContact CD2-CE 4.01Å; L1827-M2523 HydrophobicContact CD2-SD 4.42Å; L1827-F2549 HydrophobicContact CD1-CE1 3.62Å; L1827-F2549 HydrophobicContact CD1-CZ 4.21Å; L1827-F2549 HydrophobicContact CD2-CD1 4.41Å; L1827-F2549 HydrophobicContact CD2-CE1 4.12Å; L1827-F2549 HydrophobicContact CG-CE1 4.41Å
1828L95.2Very high92.5Very high0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-63.1-34.9-177.4-176.163.5000112.2R1781 G1783 T1784 M1785 D1786 V1789 L1790 I1793 G1824 L1825R1781-L1828 HydrophobicContact CB-CD1 4.16Å; R1781-L1828 WeakPolarHBondContact O-CD1 3.45Å; G1783-L1828 CarbonylContact C-O 3.54Å; G1783-L1828 VanDerWaalsContact CA-O 3.28Å; G1783-L1828 WeakPolarHBondContact CA-O 3.37Å; G1783-L1828 PolarHBondContact N-O 3.11Å; T1784-L1828 PolarHBondContact N-O 3.06Å; M1785-L1828 PolarHBondContact N-O 3.11Å; M1785-L1828 VanDerWaalsContact N-O 3.16Å; D1786-L1828 HydrophobicContact CB-CD1 4.15Å; V1789-L1828 HydrophobicContact CB-CD1 4.43Å; V1789-L1828 HydrophobicContact CB-CD2 4.29Å; V1789-L1828 HydrophobicContact CG1-CD2 4.27Å; L1790-L1828 HydrophobicContact CB-CD2 4.18Å; I1793-L1828 HydrophobicContact CD1-CD2 3.98Å; G1824-L1828 WeakPolarHBondContact O-CB 3.3Å; G1824-L1828 PolarHBondContact O-N 3.22Å; L1825-L1828 PolarHBondContact O-N 2.99Å
1829Y94.9Very high92.7Very high5.8 Ų5.823 Ų232%0.02311%0.114CC..THydrogen-bonded Turntrans-10518.2-179.4-78.8-96.7000113.7M1785 Q1787 L1790 L1825 G1826 L1827 G1831 S1832 H1834 I1837M1785-Y1829 HydrophobicContact CB-CD1 4.47Å; M1785-Y1829 HydrophobicContact CB-CE1 4.09Å; M1785-Y1829 HydrophobicContact CE-CD1 3.78Å; M1785-Y1829 HydrophobicContact CE-CE1 3.42Å; M1785-Y1829 VanDerWaalsContact CE-CE1 3.46Å; M1785-Y1829 HydrophobicContact CG-CD1 3.82Å; M1785-Y1829 HydrophobicContact CG-CE1 3.86Å; M1785-Y1829 HydrophobicContact CG-CG 4.4Å; M1785-Y1829 HydrophobicContact SD-CD1 4.4Å; M1785-Y1829 HydrophobicContact SD-CE1 4.4Å; Q1787-Y1829 PolarHBondContact NE2-OH 3.03Å; L1790-Y1829 HydrophobicContact CD1-CE2 4.16Å; L1790-Y1829 WeakPolarHBondContact CD2-OH 3.3Å; L1825-Y1829 HydrophobicContact CD1-CD2 3.92Å; L1825-Y1829 HydrophobicContact CD1-CE2 4.04Å; L1825-Y1829 WeakPolarHBondContact O-CB 3.28Å; L1825-Y1829 PolarHBondContact O-N 3.31Å; L1825-Y1829 VanDerWaalsContact O-N 3.08Å; G1826-Y1829 CarbonylContact O-C 3.42Å; L1827-Y1829 VanDerWaalsContact C-N 3.29Å; L1827-Y1829 PolarHBondContact O-N 3.16Å; Y1829-G1831 PolarHBondContact O-N 2.88Å; Y1829-S1832 WeakPolarHBondContact CB-OG 3.3Å; Y1829-S1832 WeakPolarHBondContact CD1-OG 3.4Å; Y1829-S1832 VanDerWaalsContact O-CB 3.26Å; Y1829-S1832 WeakPolarHBondContact O-CB 3.41Å; Y1829-S1832 PolarHBondContact O-N 3.02Å; Y1829-S1832 PolarHBondContact O-OG 3.16Å; Y1829-H1834 HydrophobicContact CD1-CB 3.7Å; Y1829-H1834 AromaticContact CD1-CG 3.98Å; Y1829-H1834 HydrophobicContact CE1-CB 4.04Å; Y1829-H1834 AromaticContact CE1-CG 3.85Å; Y1829-H1834 AromaticContact CE1-ND1 3.85Å; Y1829-I1837 HydrophobicContact CD1-CD1 3.44Å; Y1829-I1837 VanDerWaalsContact CD1-CD1 3.48Å; Y1829-I1837 HydrophobicContact CD2-CD1 3.5Å; Y1829-I1837 VanDerWaalsContact CD2-CD1 3.44Å; Y1829-I1837 HydrophobicContact CE1-CD1 3.32Å; Y1829-I1837 VanDerWaalsContact CE1-CD1 3.46Å; Y1829-I1837 HydrophobicContact CE2-CD1 3.4Å; Y1829-I1837 VanDerWaalsContact CE2-CD1 3.43Å; Y1829-I1837 HydrophobicContact CG-CD1 3.52Å; Y1829-I1837 VanDerWaalsContact CG-CD1 3.43Å; Y1829-I1837 VanDerWaalsContact CZ-CD1 3.44Å
1830Q94.6Very high92.7Very high31 Ų3123.7 Ų23.715%0.14512%0.117CC..THydrogen-bonded Turntrans-52.5128.3-179.5-176.1-174.9-25.600111.5R1782 G1826 L1827 S1832 L1914 L1917 E2519R1782-Q1830 HydrophobicContact CG-CB 4.4Å; G1826-Q1830 WeakPolarHBondContact O-CA 3.36Å; G1826-Q1830 PolarHBondContact O-N 3.2Å; L1827-Q1830 WeakPolarHBondContact O-CB 3.3Å; L1827-Q1830 PolarHBondContact O-N 3.02Å; Q1830-S1832 PolarHBondContact O-N 2.89Å; Q1830-S1832 VanDerWaalsContact O-N 3.12Å; Q1830-L1914 CarbonylContact C-O 3.45Å; Q1830-L1914 WeakPolarHBondContact CA-O 3.4Å; Q1830-L1914 HydrophobicContact CG-CB 4.4Å; Q1830-L1914 HydrophobicContact CG-CD2 4.23Å; Q1830-L1917 HydrophobicContact CG-CD2 4.15Å; Q1830-L1917 VanDerWaalsContact NE2-CD2 3.27Å; Q1830-E2519 VanDerWaalsContact NE2-CG 3.32Å; Q1830-E2519 PolarHBondContact NE2-OE2 3.02Å
1831G91.7Very high92.8Very high17.8 Ų17.823.6 Ų23.618%0.18412%0.116CC..THydrogen-bonded Turntrans66.74.217900000115.5Y1829 L1914 V1915 R1919Y1829-G1831 PolarHBondContact O-N 2.88Å; G1831-L1914 PolarHBondContact N-O 3.29Å; G1831-V1915 CarbonylContact C-O 3.57Å; G1831-V1915 WeakPolarHBondContact CA-O 3.49Å; G1831-V1915 PolarHBondContact N-O 2.88Å; G1831-R1919 VanDerWaalsContact O-CZ 3.26Å; G1831-R1919 PolarHBondContact O-NE 2.99Å; G1831-R1919 VanDerWaalsContact O-NE 3.13Å; G1831-R1919 PolarHBondContact O-NH2 3.1Å
1832S91.2Very high92.7Very high33.4 Ų33.423.6 Ų23.623%0.23412%0.116CC..  trans-78.3-19.7-175.367.90000114.8Y1829 Q1830 H1834 V1915Y1829-S1832 WeakPolarHBondContact CB-OG 3.3Å; Y1829-S1832 WeakPolarHBondContact CD1-OG 3.4Å; Y1829-S1832 VanDerWaalsContact O-CB 3.26Å; Y1829-S1832 WeakPolarHBondContact O-CB 3.41Å; Y1829-S1832 PolarHBondContact O-N 3.02Å; Y1829-S1832 PolarHBondContact O-OG 3.16Å; Q1830-S1832 PolarHBondContact O-N 2.89Å; Q1830-S1832 VanDerWaalsContact O-N 3.12Å; S1832-H1834 PolarHBondContact O-N 3.2Å; S1832-H1834 VanDerWaalsContact O-N 3.16Å; S1832-H1834 PolarHBondContact OG-N 3.15Å; S1832-V1915 PolarHBondContact N-O 3.25Å
1833A90.2Very high92.5Very high6.2 Ų6.227.2 Ų27.25%0.05114%0.136CC..  trans52.429.1-171.800000114.5R1835 V1915 R1919 C1924 L1926A1833-R1835 PolarHBondContact O-N 3.14Å; A1833-R1835 VanDerWaalsContact O-N 3.16Å; A1833-V1915 PolarHBondContact N-O 3.27Å; A1833-V1915 VanDerWaalsContact N-O 3.1Å; A1833-R1919 HydrophobicContact CB-CB 4.37Å; A1833-R1919 HydrophobicContact CB-CG 4.12Å; A1833-C1924 HydrophobicContact CB-CB 3.78Å; A1833-L1926 HydrophobicContact CB-CD1 4.1Å
1834H92.1Very high92.1Very high68.4 Ų68.426.9 Ų26.932%0.31714%0.135SC..  trans-67.8102.8-171.9-173.5-99.8000113.2M1785 Y1829 S1832 H1836 I1837 T1838M1785-H1834 HydrophobicContact CE-CB 4.33Å; Y1829-H1834 HydrophobicContact CD1-CB 3.7Å; Y1829-H1834 AromaticContact CD1-CG 3.98Å; Y1829-H1834 HydrophobicContact CE1-CB 4.04Å; Y1829-H1834 AromaticContact CE1-CG 3.85Å; Y1829-H1834 AromaticContact CE1-ND1 3.85Å; S1832-H1834 PolarHBondContact O-N 3.2Å; S1832-H1834 VanDerWaalsContact O-N 3.16Å; S1832-H1834 PolarHBondContact OG-N 3.15Å; H1834-H1836 PolarHBondContact O-N 3.09Å; H1834-H1836 VanDerWaalsContact O-N 3.17Å; H1834-I1837 HydrophobicContact CB-CB 4.43Å; H1834-I1837 HydrophobicContact CB-CD1 4.33Å; H1834-I1837 WeakPolarHBondContact ND1-CD1 3.43Å; H1834-I1837 PolarHBondContact O-N 3.3Å; H1834-T1838 WeakPolarHBondContact O-CB 3.42Å; H1834-T1838 PolarHBondContact O-N 3.09Å; H1834-T1838 PolarHBondContact O-OG1 3.13Å; H1834-T1838 VanDerWaalsContact O-OG1 3.09Å
1835R91.4Very high91.8Very high113.2 Ų113.227.1 Ų27.143%0.42714%0.136SC..Hα-helixtrans-32.6-57.1-178.7179.8-176.6173.470.77.1116.2A1833 I1837 T1838 N1839 G1925 L1926 D1928 L1929A1833-R1835 PolarHBondContact O-N 3.14Å; A1833-R1835 VanDerWaalsContact O-N 3.16Å; R1835-I1837 VanDerWaalsContact C-N 3.33Å; R1835-I1837 PolarHBondContact O-N 3.23Å; R1835-T1838 PolarHBondContact O-N 3.1Å; R1835-N1839 WeakPolarHBondContact O-CB 3.36Å; R1835-N1839 PolarHBondContact O-N 3.27Å; R1835-G1925 PolarHBondContact NH1-O 2.99Å; R1835-G1925 VanDerWaalsContact NH1-O 3.11Å; R1835-L1926 HydrophobicContact CB-CD2 4.09Å; R1835-L1926 HydrophobicContact CG-CD2 4.45Å; R1835-D1928 IonicContact CZ-OD1 3.14Å; R1835-D1928 IonicContact CZ-OD2 2.82Å; R1835-D1928 VanDerWaalsContact CZ-OD2 3.27Å; R1835-D1928 IonicContact NE-OD2 2.65Å; R1835-D1928 VanDerWaalsContact NH1-CG 3.29Å; R1835-D1928 IonicContact NH1-OD1 3.04Å; R1835-D1928 PolarHBondContact NH1-OD1 3.14Å; R1835-D1928 IonicContact NH1-OD2 3.47Å; R1835-D1928 PolarHBondContact NH1-OD2 3.17Å; R1835-D1928 VanDerWaalsContact NH1-OD2 3.11Å; R1835-D1928 IonicContact NH2-OD1 3.09Å; R1835-D1928 IonicContact NH2-OD2 3.31Å; R1835-D1928 PolarHBondContact NH2-OD2 3.2Å; R1835-L1929 HydrophobicContact CG-CD1 4.35Å; R1835-L1929 VanDerWaalsContact NH1-CG 3.31Å
1836H90.7Very high91Very high112 Ų11227.8 Ų27.852%0.51914%0.143SC..Hα-helixtrans-64-40.5-175.1173.466000111.8H1834 N1839 L1840H1834-H1836 PolarHBondContact O-N 3.09Å; H1834-H1836 VanDerWaalsContact O-N 3.17Å; H1836-N1839 PolarHBondContact O-N 3.09Å; H1836-L1840 WeakPolarHBondContact O-CB 3.4Å; H1836-L1840 PolarHBondContact O-N 3.21Å
1837I91.8Very high90.2Very high3.2 Ų3.232 Ų322%0.01616%0.159CC..Hα-helixtrans-74.3-39.2-179.7-70167.5000110.3L1825 Y1829 H1834 R1835 N1839 L1840 L1841 V1915L1825-I1837 HydrophobicContact CD1-CD1 4.04Å; L1825-I1837 HydrophobicContact CD1-CG1 4.47Å; L1825-I1837 HydrophobicContact CD2-CG1 4.39Å; L1825-I1837 HydrophobicContact CD2-CG2 3.89Å; L1825-I1837 HydrophobicContact CG-CD1 4.37Å; L1825-I1837 HydrophobicContact CG-CG2 4.01Å; Y1829-I1837 HydrophobicContact CD1-CD1 3.44Å; Y1829-I1837 VanDerWaalsContact CD1-CD1 3.48Å; Y1829-I1837 HydrophobicContact CD2-CD1 3.5Å; Y1829-I1837 VanDerWaalsContact CD2-CD1 3.44Å; Y1829-I1837 HydrophobicContact CE1-CD1 3.32Å; Y1829-I1837 VanDerWaalsContact CE1-CD1 3.46Å; Y1829-I1837 HydrophobicContact CE2-CD1 3.4Å; Y1829-I1837 VanDerWaalsContact CE2-CD1 3.43Å; Y1829-I1837 HydrophobicContact CG-CD1 3.52Å; Y1829-I1837 VanDerWaalsContact CG-CD1 3.43Å; Y1829-I1837 VanDerWaalsContact CZ-CD1 3.44Å; H1834-I1837 HydrophobicContact CB-CB 4.43Å; H1834-I1837 HydrophobicContact CB-CD1 4.33Å; H1834-I1837 WeakPolarHBondContact ND1-CD1 3.43Å; H1834-I1837 PolarHBondContact O-N 3.3Å; R1835-I1837 VanDerWaalsContact C-N 3.33Å; R1835-I1837 PolarHBondContact O-N 3.23Å; I1837-N1839 VanDerWaalsContact C-N 3.32Å; I1837-N1839 PolarHBondContact O-N 3.07Å; I1837-L1840 PolarHBondContact O-N 3.24Å; I1837-L1841 HydrophobicContact CG2-CD1 3.75Å; I1837-L1841 HydrophobicContact CG2-CG 4.19Å; I1837-L1841 WeakPolarHBondContact O-CB 3.32Å; I1837-L1841 VanDerWaalsContact O-CG 3.31Å; I1837-L1841 WeakPolarHBondContact O-CG 3.26Å; I1837-L1841 PolarHBondContact O-N 3.27Å; I1837-V1915 HydrophobicContact CG2-CG2 4.22Å
1838T92Very high88.6Confident0 Ų032.9 Ų32.90%017%0.165CC..Hα-helixtrans-56-49.3171.4-57.60000111.1H1834 R1835 L1840 L1841 I1842 L1912 L1916 L1926 L1929H1834-T1838 WeakPolarHBondContact O-CB 3.42Å; H1834-T1838 PolarHBondContact O-N 3.09Å; H1834-T1838 PolarHBondContact O-OG1 3.13Å; H1834-T1838 VanDerWaalsContact O-OG1 3.09Å; R1835-T1838 PolarHBondContact O-N 3.1Å; T1838-L1840 VanDerWaalsContact C-N 3.32Å; T1838-L1840 PolarHBondContact O-N 3Å; T1838-L1841 PolarHBondContact O-N 3.1Å; T1838-I1842 HydrophobicContact CG2-CD1 3.77Å; T1838-I1842 WeakPolarHBondContact O-CB 3.39Å; T1838-I1842 VanDerWaalsContact O-CD1 3.27Å; T1838-I1842 WeakPolarHBondContact O-CD1 3.3Å; T1838-I1842 WeakPolarHBondContact O-CG1 3.3Å; T1838-I1842 WeakPolarHBondContact O-CG2 3.17Å; T1838-I1842 PolarHBondContact O-N 3.19Å; T1838-L1912 HydrophobicContact CG2-CD1 3.85Å; T1838-L1916 HydrophobicContact CG2-CD1 4.34Å; T1838-L1916 HydrophobicContact CG2-CD2 4Å; T1838-L1916 HydrophobicContact CG2-CG 4.44Å; T1838-L1926 HydrophobicContact CG2-CD1 4.36Å; T1838-L1926 HydrophobicContact CG2-CD2 4.1Å; T1838-L1929 HydrophobicContact CG2-CD1 4.38Å
1839N91.2Very high86.7Confident51.8 Ų51.834.7 Ų34.728%0.27718%0.175SC..Hα-helixtrans-61.7-43.3176.9-174.944.1000112.2R1835 H1836 I1837 I1842 N1843 L1929R1835-N1839 WeakPolarHBondContact O-CB 3.36Å; R1835-N1839 PolarHBondContact O-N 3.27Å; H1836-N1839 PolarHBondContact O-N 3.09Å; I1837-N1839 VanDerWaalsContact C-N 3.32Å; I1837-N1839 PolarHBondContact O-N 3.07Å; N1839-I1842 WeakPolarHBondContact O-CG2 3.49Å; N1839-I1842 PolarHBondContact O-N 3.09Å; N1839-N1843 WeakPolarHBondContact O-CB 3.4Å; N1839-N1843 PolarHBondContact O-N 3.07Å; N1839-N1843 PolarHBondContact O-ND2 3.24Å; N1839-N1843 VanDerWaalsContact O-ND2 3.09Å; N1839-N1843 PolarHBondContact OD1-ND2 3.17Å; N1839-L1929 HydrophobicContact CB-CD1 4.09Å; N1839-L1929 HydrophobicContact CB-CD2 3.86Å; N1839-L1929 WeakPolarHBondContact OD1-CD2 3.41Å
1840L90.8Very high84.4Confident15.8 Ų15.836.1 Ų36.18%0.08319%0.186CC..Hα-helixtrans-61.7-49.6179-169.1170.4000111.2Y1797 P1799 L1800 L1825 H1836 I1837 T1838 I1842 N1843 E1844Y1797-L1840 HydrophobicContact CE1-CD1 4.22Å; Y1797-L1840 HydrophobicContact CE1-CD2 3.45Å; Y1797-L1840 VanDerWaalsContact CE1-CD2 3.48Å; Y1797-L1840 HydrophobicContact CE1-CG 4.27Å; Y1797-L1840 VanDerWaalsContact CZ-CD2 3.48Å; Y1797-L1840 VanDerWaalsContact OH-CD2 3.3Å; Y1797-L1840 WeakPolarHBondContact OH-CD2 3.34Å; P1799-L1840 HydrophobicContact CB-CD1 4.36Å; P1799-L1840 HydrophobicContact CB-CD2 3.99Å; P1799-L1840 HydrophobicContact CB-CG 4.31Å; P1799-L1840 HydrophobicContact CG-CD2 4.42Å; L1800-L1840 HydrophobicContact CD2-CD1 3.57Å; L1800-L1840 VanDerWaalsContact CD2-CD1 3.48Å; L1800-L1840 HydrophobicContact CG-CD1 4.08Å; L1825-L1840 HydrophobicContact CD2-CD2 4.34Å; H1836-L1840 WeakPolarHBondContact O-CB 3.4Å; H1836-L1840 PolarHBondContact O-N 3.21Å; I1837-L1840 PolarHBondContact O-N 3.24Å; T1838-L1840 VanDerWaalsContact C-N 3.32Å; T1838-L1840 PolarHBondContact O-N 3Å; L1840-I1842 PolarHBondContact O-N 3.26Å; L1840-N1843 PolarHBondContact O-N 3.22Å; L1840-N1843 VanDerWaalsContact O-N 3.16Å; L1840-E1844 WeakPolarHBondContact O-CB 3.05Å; L1840-E1844 PolarHBondContact O-N 3.2Å
1841L92.7Very high82Confident0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-66.2-35.2-179.8-68.4172.6000113I1822 L1825 I1837 T1838 N1843 E1844 L1845 A1911 L1912 V1915I1822-L1841 HydrophobicContact CG2-CD2 3.79Å; L1825-L1841 HydrophobicContact CD2-CD2 4.47Å; I1837-L1841 HydrophobicContact CG2-CD1 3.75Å; I1837-L1841 HydrophobicContact CG2-CG 4.19Å; I1837-L1841 WeakPolarHBondContact O-CB 3.32Å; I1837-L1841 VanDerWaalsContact O-CG 3.31Å; I1837-L1841 WeakPolarHBondContact O-CG 3.26Å; I1837-L1841 PolarHBondContact O-N 3.27Å; T1838-L1841 PolarHBondContact O-N 3.1Å; L1841-N1843 VanDerWaalsContact C-N 3.32Å; L1841-E1844 PolarHBondContact O-N 3.12Å; L1841-L1845 WeakPolarHBondContact O-CB 3.34Å; L1841-L1845 PolarHBondContact O-N 2.99Å; L1841-A1911 HydrophobicContact CD1-CB 3.95Å; L1841-A1911 HydrophobicContact CD2-CB 3.98Å; L1841-L1912 HydrophobicContact CB-CB 4.18Å; L1841-L1912 HydrophobicContact CB-CD1 4.24Å; L1841-L1912 HydrophobicContact CD1-CB 4.43Å; L1841-V1915 HydrophobicContact CD1-CG2 4.04Å
1842I91.1Very high79.4Confident0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-64.2-42.3173.7-85.3162.5000110.8T1838 N1839 L1840 E1844 L1845 G1846 L1912 W1931 K1934 L1935 Y1938T1838-I1842 HydrophobicContact CG2-CD1 3.77Å; T1838-I1842 WeakPolarHBondContact O-CB 3.39Å; T1838-I1842 VanDerWaalsContact O-CD1 3.27Å; T1838-I1842 WeakPolarHBondContact O-CD1 3.3Å; T1838-I1842 WeakPolarHBondContact O-CG1 3.3Å; T1838-I1842 WeakPolarHBondContact O-CG2 3.17Å; T1838-I1842 PolarHBondContact O-N 3.19Å; N1839-I1842 WeakPolarHBondContact O-CG2 3.49Å; N1839-I1842 PolarHBondContact O-N 3.09Å; L1840-I1842 PolarHBondContact O-N 3.26Å; I1842-E1844 VanDerWaalsContact C-N 3.33Å; I1842-L1845 PolarHBondContact O-N 3.08Å; I1842-G1846 PolarHBondContact O-N 3Å; I1842-L1912 HydrophobicContact CB-CD2 4.31Å; I1842-L1912 HydrophobicContact CD1-CD1 4.36Å; I1842-L1912 HydrophobicContact CG1-CD1 3.92Å; I1842-L1912 HydrophobicContact CG1-CD2 3.76Å; I1842-L1912 HydrophobicContact CG1-CG 4.45Å; I1842-W1931 HydrophobicContact CD1-CB 3.43Å; I1842-W1931 VanDerWaalsContact CD1-CB 3.42Å; I1842-W1931 WeakPolarHBondContact CD1-O 3.23Å; I1842-K1934 HydrophobicContact CD1-CB 3.67Å; I1842-K1934 HydrophobicContact CD1-CD 4.01Å; I1842-K1934 HydrophobicContact CD1-CG 4.49Å; I1842-K1934 HydrophobicContact CG1-CB 4.28Å; I1842-K1934 HydrophobicContact CG1-CD 4.4Å; I1842-K1934 HydrophobicContact CG2-CB 4.27Å; I1842-K1934 HydrophobicContact CG2-CD 3.78Å; I1842-L1935 HydrophobicContact CD1-CD2 4.41Å; I1842-L1935 HydrophobicContact CD1-CG 4.3Å; I1842-Y1938 HydrophobicContact CG1-CE2 3.75Å; I1842-Y1938 HydrophobicContact CG2-CE2 4.1Å; I1842-Y1938 VanDerWaalsContact O-CE2 3.28Å; I1842-Y1938 WeakPolarHBondContact O-CE2 3.47Å; I1842-Y1938 PolarHBondContact O-OH 3.11Å; I1842-Y1938 VanDerWaalsContact O-OH 3.11Å
1843N88.4Confident76.6Confident76.8 Ų76.846.5 Ų46.541%0.41124%0.238SC..Hα-helixtrans-70.9-34.1179.4-63.2-23.4000111.7N1839 L1840 L1841 G1846 R1847N1839-N1843 WeakPolarHBondContact O-CB 3.4Å; N1839-N1843 PolarHBondContact O-N 3.07Å; N1839-N1843 PolarHBondContact O-ND2 3.24Å; N1839-N1843 VanDerWaalsContact O-ND2 3.09Å; N1839-N1843 PolarHBondContact OD1-ND2 3.17Å; L1840-N1843 PolarHBondContact O-N 3.22Å; L1840-N1843 VanDerWaalsContact O-N 3.16Å; L1841-N1843 VanDerWaalsContact C-N 3.32Å; N1843-G1846 CarbonylContact O-C 3.55Å; N1843-G1846 PolarHBondContact O-N 3.31Å; N1843-R1847 WeakPolarHBondContact O-CA 3.48Å; N1843-R1847 PolarHBondContact O-N 3.1Å; N1843-R1847 VanDerWaalsContact O-N 3.1Å
1844E85.8Confident73.7Confident19.8 Ų19.853.8 Ų53.89%0.09327%0.27CS..Hα-helixtrans-66.9-40.6173.9-162.470.1-148.400111.9Y1797 P1799 I1822 L1840 L1841 I1842 G1846 R1847 A1908Y1797-E1844 HydrophobicContact CE2-CG 4.46Å; Y1797-E1844 VanDerWaalsContact OH-CG 3.3Å; Y1797-E1844 WeakPolarHBondContact OH-CG 3.31Å; Y1797-E1844 PolarHBondContact OH-OE2 3.03Å; Y1797-E1844 VanDerWaalsContact OH-OE2 3.12Å; P1799-E1844 WeakPolarHBondContact CG-OE2 3.38Å; I1822-E1844 HydrophobicContact CD1-CG 4.01Å; L1840-E1844 WeakPolarHBondContact O-CB 3.05Å; L1840-E1844 PolarHBondContact O-N 3.2Å; L1841-E1844 PolarHBondContact O-N 3.12Å; I1842-E1844 VanDerWaalsContact C-N 3.33Å; E1844-G1846 VanDerWaalsContact C-N 3.26Å; E1844-G1846 PolarHBondContact O-N 3.17Å; E1844-R1847 VanDerWaalsContact O-CB 3.27Å; E1844-R1847 WeakPolarHBondContact O-CB 3.28Å; E1844-R1847 PolarHBondContact O-N 3Å; E1844-R1847 VanDerWaalsContact OE1-CD 3.27Å; E1844-R1847 WeakPolarHBondContact OE1-CD 3.13Å; E1844-R1847 IonicContact OE1-CZ 3.72Å; E1844-R1847 IonicContact OE1-NE 3.12Å; E1844-R1847 IonicContact OE1-NH1 3.43Å; E1844-R1847 PolarHBondContact OE1-NH1 3.08Å; E1844-R1847 VanDerWaalsContact OE1-NH1 3.13Å; E1844-R1847 IonicContact OE2-NH1 3.22Å; E1844-R1847 PolarHBondContact OE2-NH1 3.47Å; E1844-A1908 HydrophobicContact CB-CB 4.21Å; E1844-A1908 HydrophobicContact CG-CB 4.23Å
1845L87.2Confident70.6Confident4.4 Ų4.455 Ų552%0.02329%0.287CS..Hα-helixtrans-61.1-31.4175.5178.164.1000112.8L1841 I1842 A1905 A1908 L1912 L1935 Y1938 S2124 A2128L1841-L1845 WeakPolarHBondContact O-CB 3.34Å; L1841-L1845 PolarHBondContact O-N 2.99Å; I1842-L1845 PolarHBondContact O-N 3.08Å; L1845-A1905 HydrophobicContact CD1-CB 4.21Å; L1845-A1905 VanDerWaalsContact CD1-O 3.24Å; L1845-A1905 WeakPolarHBondContact CD1-O 3.41Å; L1845-A1908 HydrophobicContact CB-CB 4.27Å; L1845-L1912 HydrophobicContact CD2-CD2 4.42Å; L1845-L1935 HydrophobicContact CD2-CD2 3.47Å; L1845-L1935 VanDerWaalsContact CD2-CD2 3.46Å; L1845-Y1938 HydrophobicContact CB-CD2 4.46Å; L1845-Y1938 HydrophobicContact CB-CE2 4.3Å; L1845-Y1938 HydrophobicContact CD2-CD2 3.69Å; L1845-Y1938 HydrophobicContact CD2-CE2 4.12Å; L1845-Y1938 HydrophobicContact CD2-CG 4.46Å; L1845-Y1938 HydrophobicContact CG-CD2 3.89Å; L1845-Y1938 HydrophobicContact CG-CE2 4.18Å; L1845-S2124 WeakPolarHBondContact O-CB 3.5Å; L1845-A2128 HydrophobicContact CD2-CB 4.24Å
1846G78.6Confident67.4Low14 Ų1457.1 Ų57.114%0.14431%0.306CS..THydrogen-bonded Turntrans-100.410.417800000115.3I1842 N1843 E1844 S1848 Y1938I1842-G1846 PolarHBondContact O-N 3Å; N1843-G1846 CarbonylContact O-C 3.55Å; N1843-G1846 PolarHBondContact O-N 3.31Å; E1844-G1846 VanDerWaalsContact C-N 3.26Å; E1844-G1846 PolarHBondContact O-N 3.17Å; G1846-S1848 PolarHBondContact O-N 3.16Å; G1846-Y1938 VanDerWaalsContact CA-CE1 3.41Å; G1846-Y1938 VanDerWaalsContact CA-CZ 3.5Å
1847R76.9Confident64.4Low90 Ų9057 Ų5734%0.3432%0.318SS..  trans-59129.3-171.8-176.7174.3-179.2158.20.9111.3N1843 E1844 E1851 D1852N1843-R1847 WeakPolarHBondContact O-CA 3.48Å; N1843-R1847 PolarHBondContact O-N 3.1Å; N1843-R1847 VanDerWaalsContact O-N 3.1Å; E1844-R1847 VanDerWaalsContact O-CB 3.27Å; E1844-R1847 WeakPolarHBondContact O-CB 3.28Å; E1844-R1847 PolarHBondContact O-N 3Å; E1844-R1847 VanDerWaalsContact OE1-CD 3.27Å; E1844-R1847 WeakPolarHBondContact OE1-CD 3.13Å; E1844-R1847 IonicContact OE1-CZ 3.72Å; E1844-R1847 IonicContact OE1-NE 3.12Å; E1844-R1847 IonicContact OE1-NH1 3.43Å; E1844-R1847 PolarHBondContact OE1-NH1 3.08Å; E1844-R1847 VanDerWaalsContact OE1-NH1 3.13Å; E1844-R1847 IonicContact OE2-NH1 3.22Å; E1844-R1847 PolarHBondContact OE2-NH1 3.47Å; R1847-E1851 PolarHBondContact NH2-O 3.2Å; R1847-D1852 IonicContact CZ-OD2 3.47Å; R1847-D1852 IonicContact NE-OD2 3.72Å; R1847-D1852 VanDerWaalsContact NH2-CG 3.32Å; R1847-D1852 IonicContact NH2-OD1 3.02Å; R1847-D1852 PolarHBondContact NH2-OD1 3.12Å; R1847-D1852 IonicContact NH2-OD2 3.29Å; R1847-D1852 PolarHBondContact NH2-OD2 3.05Å
1848S61Low61.3Low26.8 Ų26.861.6 Ų61.619%0.18736%0.356CS..  trans-73.5137.7175.681.20000110.6G1846 S1850 E1851 D2115G1846-S1848 PolarHBondContact O-N 3.16Å; S1848-S1850 PolarHBondContact O-N 3Å; S1848-S1850 VanDerWaalsContact O-N 3.08Å; S1848-E1851 WeakPolarHBondContact CB-OE2 3.29Å; S1848-E1851 PolarHBondContact O-N 3.02Å; S1848-E1851 WeakPolarHBondContact OG-CB 3.34Å; S1848-E1851 WeakPolarHBondContact OG-CG 3.37Å; S1848-E1851 PolarHBondContact OG-OE2 3.32Å; S1848-D2115 WeakPolarHBondContact CA-OD2 3.32Å; S1848-D2115 WeakPolarHBondContact CB-OD2 2.97Å
1849L55.4Low58.2Low38.8 Ų38.870.1 Ų70.120%0.20340%0.396CS..THydrogen-bonded Turntrans-73.21.2-175.4-57.6178.3000112.9C1901 N2110 I2113 D2115L1849-C1901 HydrophobicContact CD1-CB 4.23Å; L1849-C1901 HydrophobicContact CD2-CB 3.84Å; L1849-C1901 VanDerWaalsContact CD2-SG 3.53Å; L1849-C1901 WeakPolarHBondContact CD2-SG 3.31Å; L1849-N2110 VanDerWaalsContact O-CB 3.26Å; L1849-N2110 WeakPolarHBondContact O-CB 3.32Å; L1849-N2110 PolarHBondContact O-ND2 3.2Å; L1849-I2113 HydrophobicContact CB-CB 4.49Å; L1849-I2113 HydrophobicContact CB-CG2 4.43Å; L1849-I2113 HydrophobicContact CD1-CB 4.36Å; L1849-I2113 HydrophobicContact CD1-CD1 3.84Å; L1849-I2113 HydrophobicContact CD1-CG2 3.91Å; L1849-D2115 VanDerWaalsContact CB-OD1 3.32Å; L1849-D2115 WeakPolarHBondContact CB-OD1 3.41Å; L1849-D2115 WeakPolarHBondContact CG-OD1 3.42Å; L1849-D2115 PolarHBondContact N-OD2 3.33Å; L1849-D2115 VanDerWaalsContact N-OD2 3.14Å
1850S47Very low55.2Low34.8 Ų34.876 Ų7624%0.24343%0.426CS..THydrogen-bonded Turntrans-103.2-9-177.6-79.10000114.3S1848 D1852 K2109 D2115S1848-S1850 PolarHBondContact O-N 3Å; S1848-S1850 VanDerWaalsContact O-N 3.08Å; S1850-D1852 VanDerWaalsContact C-N 3.33Å; S1850-D1852 PolarHBondContact O-N 3.05Å; S1850-D1852 VanDerWaalsContact O-N 3.14Å; S1850-K2109 WeakPolarHBondContact O-CB 3.37Å; S1850-D2115 WeakPolarHBondContact CB-OD2 3.36Å; S1850-D2115 PolarHBondContact N-OD2 3.44Å; S1850-D2115 PolarHBondContact OG-OD2 2.88Å
1851E44.2Very low52.1Low133.8 Ų133.878.5 Ų78.563%0.62546%0.456SS*.  trans-92.247.5-173.5-102.9172.7146.500113.7R1847 S1848R1847-E1851 PolarHBondContact NH2-O 3.2Å; S1848-E1851 WeakPolarHBondContact CB-OE2 3.29Å; S1848-E1851 PolarHBondContact O-N 3.02Å; S1848-E1851 WeakPolarHBondContact OG-CB 3.34Å; S1848-E1851 WeakPolarHBondContact OG-CG 3.37Å; S1848-E1851 PolarHBondContact OG-OE2 3.32Å
1852D38.3Very low48.9Very low83.8 Ų83.886.2 Ų86.245%0.44850%0.496SS..  trans-132.183.2160.4-95.5-39.3000112.8R1798 R1847 S1850 H1854R1798-D1852 IonicContact CZ-OD1 3.56Å; R1798-D1852 VanDerWaalsContact CZ-OD1 3.31Å; R1798-D1852 IonicContact CZ-OD2 3.16Å; R1798-D1852 VanDerWaalsContact CZ-OD2 3.27Å; R1798-D1852 IonicContact NH1-OD1 2.73Å; R1798-D1852 PolarHBondContact NH1-OD1 3.4Å; R1798-D1852 IonicContact NH1-OD2 2.68Å; R1798-D1852 PolarHBondContact NH1-OD2 2.84Å; R1798-D1852 IonicContact NH2-OD1 3.41Å; R1798-D1852 PolarHBondContact NH2-OD1 3.12Å; R1798-D1852 IonicContact NH2-OD2 3.56Å; R1798-D1852 PolarHBondContact NH2-OD2 3.39Å; R1847-D1852 IonicContact CZ-OD2 3.47Å; R1847-D1852 IonicContact NE-OD2 3.72Å; R1847-D1852 VanDerWaalsContact NH2-CG 3.32Å; R1847-D1852 IonicContact NH2-OD1 3.02Å; R1847-D1852 PolarHBondContact NH2-OD1 3.12Å; R1847-D1852 IonicContact NH2-OD2 3.29Å; R1847-D1852 PolarHBondContact NH2-OD2 3.05Å; S1850-D1852 VanDerWaalsContact C-N 3.33Å; S1850-D1852 PolarHBondContact O-N 3.05Å; S1850-D1852 VanDerWaalsContact O-N 3.14Å; D1852-H1854 PolarHBondContact O-N 3.38Å
1853S32.5Very low45.8Very low83.4 Ų83.493.2 Ų93.258%0.58353%0.534SS*.SBendtrans-160.5114.4150.117.20000111.2S1855S1853-S1855 PolarHBondContact O-N 2.81Å
1854H28.5Very low42.9Very low158.8 Ų158.894.3 Ų94.374%0.73555%0.554SS**  trans65.5103.7170.7-51.4-75.3000117.6D1852D1852-H1854 PolarHBondContact O-N 3.38Å
1855S26.1Very low40.1Very low94.6 Ų94.6100.4 Ų100.466%0.66259%0.587SS**  trans-174.179.9155.556.90000111.7S1853 S1857 K2109S1853-S1855 PolarHBondContact O-N 2.81Å; S1855-S1857 VanDerWaalsContact C-N 3.34Å; S1855-S1857 PolarHBondContact O-N 3.48Å; S1855-K2109 PolarHBondContact OG-NZ 2.85Å
1856D25.2Very low37.2Very low156.4 Ų156.4106.3 Ų106.384%0.83662%0.623SS**  trans-132.763.7144.3-80.2-34.7000111.4A1858 K2109D1856-A1858 PolarHBondContact O-N 3.08Å; D1856-K2109 IonicContact OD1-NZ 2.75Å; D1856-K2109 IonicContact OD2-NZ 2.92Å; D1856-K2109 PolarHBondContact OD2-NZ 3.16Å; D1856-K2109 VanDerWaalsContact OD2-NZ 3.13Å
1857S27.8Very low34.7Very low109.8 Ų109.8112.6 Ų112.677%0.76865%0.654SS**SBendtrans-140.8126.5163.240.30000110.3S1855 H1859S1855-S1857 VanDerWaalsContact C-N 3.34Å; S1855-S1857 PolarHBondContact O-N 3.48Å; S1857-H1859 VanDerWaalsContact C-N 3.34Å; S1857-H1859 PolarHBondContact O-N 3.31Å
1858A26.8Very low32.3Very low99.4 Ų99.4113.8 Ų113.882%0.82168%0.676SS**  trans-14.5108.5176.200000114.7D1856 L1860D1856-A1858 PolarHBondContact O-N 3.08Å; A1858-L1860 PolarHBondContact O-N 3.45Å
1859H26.5Very low30.6Very low179.6 Ų179.6120.1 Ų120.183%0.83170%0.702SS**  trans-71.8101157.3-131.3-77.4000112.9S1857 G1861S1857-H1859 VanDerWaalsContact C-N 3.34Å; S1857-H1859 PolarHBondContact O-N 3.31Å; H1859-G1861 PolarHBondContact O-N 3.2Å
1860L27.3Very low29.1Very low174.8 Ų174.8125.6 Ų125.692%0.91573%0.727SS**  trans166.1106.2167.8-77.9162.9000112.7A1858 L1862A1858-L1860 PolarHBondContact O-N 3.45Å; L1860-L1862 PolarHBondContact O-N 2.88Å
1861G25.8Very low28Very low69 Ų69130.4 Ų130.471%0.71176%0.755SS**  trans148.9115.3165.900000114.9H1859 N1863H1859-G1861 PolarHBondContact O-N 3.2Å; G1861-N1863 PolarHBondContact O-N 3.2Å; G1861-N1863 VanDerWaalsContact O-N 3.08Å
1862L26.7Very low27.2Very low160.4 Ų160.4128.6 Ų128.684%0.8475%0.753SS**  trans-19.6114161-64.4164.9000114.7L1860 A1864L1860-L1862 PolarHBondContact O-N 2.88Å; L1862-A1864 PolarHBondContact O-N 3.43Å; L1862-A1864 VanDerWaalsContact O-N 3.13Å
1863N26.1Very low26.5Very low147.2 Ų147.2129.9 Ų129.979%0.78777%0.769SS**  trans30.7102.4146.8-59-8.4000116.9G1861 D1865G1861-N1863 PolarHBondContact O-N 3.2Å; G1861-N1863 VanDerWaalsContact O-N 3.08Å; N1863-D1865 HydrophobicContact CB-CB 4.35Å; N1863-D1865 PolarHBondContact O-N 3.33Å
1864A27Very low26.2Very low100 Ų100132.8 Ų132.883%0.82678%0.778SS**  trans-120.284155.200000110.1L1862L1862-A1864 PolarHBondContact O-N 3.43Å; L1862-A1864 VanDerWaalsContact O-N 3.13Å
1865D26.6Very low26Very low149.6 Ų149.6129.5 Ų129.580%0.878%0.778SS**  trans-81.3140.8163.5-78.2-49.6000109.6N1863N1863-D1865 HydrophobicContact CB-CB 4.35Å; N1863-D1865 PolarHBondContact O-N 3.33Å
1866T27.7Very low26Very low126.6 Ų126.6129.6 Ų129.678%0.77778%0.778SS**  trans89.198.8177.663.80000114.6
1867D24.8Very low26Very low147.2 Ų147.2129.3 Ų129.379%0.78778%0.777SS**  trans167.745.2135.2-88.1-13.1000115.1Q1869D1867-Q1869 VanDerWaalsContact C-N 3.29Å; D1867-Q1869 PolarHBondContact O-N 3.01Å; D1867-Q1869 PolarHBondContact OD1-NE2 3.06Å
1868S26.1Very low26Very low115 Ų115131.5 Ų131.580%0.80478%0.78SS**  trans-85.868.8165.162.60000111.6Q1870S1868-Q1870 VanDerWaalsContact C-N 3.26Å; S1868-Q1870 PolarHBondContact O-N 3.4Å
1869Q25.2Very low26Very low158.4 Ų158.4133.6 Ų133.674%0.7478%0.777SS**  trans-116.4102.5170.8-75.1-161.722.900111.8D1867 T1871D1867-Q1869 VanDerWaalsContact C-N 3.29Å; D1867-Q1869 PolarHBondContact O-N 3.01Å; D1867-Q1869 PolarHBondContact OD1-NE2 3.06Å; Q1869-T1871 PolarHBondContact O-N 3Å
1870Q24.4Very low26Very low154.4 Ų154.4131.1 Ų131.172%0.72178%0.777SS**  trans-30.789.2151-72.7-178.55.500113.2S1868 V1872 N1874S1868-Q1870 VanDerWaalsContact C-N 3.26Å; S1868-Q1870 PolarHBondContact O-N 3.4Å; Q1870-V1872 HydrophobicContact CB-CB 4.08Å; Q1870-V1872 HydrophobicContact CB-CG2 3.83Å; Q1870-V1872 HydrophobicContact CG-CB 4.41Å; Q1870-V1872 HydrophobicContact CG-CG2 3.88Å; Q1870-V1872 PolarHBondContact O-N 3.26Å; Q1870-N1874 PolarHBondContact OE1-ND2 3.07Å
1871T24.8Very low26Very low135.6 Ų135.6128.8 Ų128.883%0.83277%0.771SS**  trans-7962.3146.147.60000109.6Q1869 S1873Q1869-T1871 PolarHBondContact O-N 3Å; T1871-S1873 VanDerWaalsContact C-N 3.31Å; T1871-S1873 PolarHBondContact O-N 3.3Å; T1871-S1873 VanDerWaalsContact O-N 3.16Å
1872V26.3Very low26Very low97.4 Ų97.4133.2 Ų133.259%0.5978%0.778SS**  trans-81.1109.5172.1176.20000108.1Q1870 N1874 A1875Q1870-V1872 HydrophobicContact CB-CB 4.08Å; Q1870-V1872 HydrophobicContact CB-CG2 3.83Å; Q1870-V1872 HydrophobicContact CG-CB 4.41Å; Q1870-V1872 HydrophobicContact CG-CG2 3.88Å; Q1870-V1872 PolarHBondContact O-N 3.26Å; V1872-N1874 HydrophobicContact CG1-CB 4.03Å; V1872-N1874 PolarHBondContact O-N 3.1Å; V1872-A1875 HydrophobicContact CG1-CB 3.85Å
1873S24.6Very low26Very low111.2 Ų111.2132.8 Ų132.878%0.77878%0.777SS**  trans-55.697.3167.248.60000111.9T1871 A1875T1871-S1873 VanDerWaalsContact C-N 3.31Å; T1871-S1873 PolarHBondContact O-N 3.3Å; T1871-S1873 VanDerWaalsContact O-N 3.16Å; S1873-A1875 PolarHBondContact O-N 3.44Å
1874N25.2Very low25.9Very low143.6 Ų143.6132.7 Ų132.777%0.76878%0.782SS**  trans-7383.6168.1-84.7-21.6000112.3Q1870 V1872 S1876Q1870-N1874 PolarHBondContact OE1-ND2 3.07Å; V1872-N1874 HydrophobicContact CG1-CB 4.03Å; V1872-N1874 PolarHBondContact O-N 3.1Å; N1874-S1876 PolarHBondContact O-N 3.11Å
1875A24.7Very low25.9Very low90.2 Ų90.2134 Ų13475%0.74578%0.779SS**  trans-91.799.7162.100000110.6V1872 S1873 N1877V1872-A1875 HydrophobicContact CG1-CB 3.85Å; S1873-A1875 PolarHBondContact O-N 3.44Å; A1875-N1877 PolarHBondContact O-N 3.27Å
1876S25.6Very low25.9Very low95.4 Ų95.4129.9 Ų129.967%0.66777%0.772SS**  trans-55.4118.4170.557.60000114N1874 N1878N1874-S1876 PolarHBondContact O-N 3.11Å; S1876-N1878 PolarHBondContact O-N 3Å
1877N26.3Very low25.9Very low150 Ų150133.7 Ų133.780%0.80277%0.772SS**  trans99.3104.2148.3-70.4-19000115.8A1875A1875-N1877 PolarHBondContact O-N 3.27Å
1878N27.9Very low26.2Very low155.6 Ų155.6131.2 Ų131.283%0.83276%0.763SS**  trans-154.2134146-78.9-33.5000113.3S1876S1876-N1878 PolarHBondContact O-N 3Å
1879N27.1Very low26.6Very low143.6 Ų143.6127.5 Ų127.577%0.76874%0.743SS**  trans-70.3132.1169.8-71.5-25.8000114.3T1881N1879-T1881 VanDerWaalsContact C-N 3.25Å; N1879-T1881 PolarHBondContact O-N 3.33Å; N1879-T1881 VanDerWaalsContact O-N 3.13Å
1880P25.9Very low27.1Very low128.4 Ų128.4121.2 Ų121.283%0.83472%0.718SS**  trans-81.3106175.433-31.5000110.5
1881T27.1Very low27.8Very low126.8 Ų126.8114.2 Ų114.278%0.77869%0.687SS**  trans-112.4110.5166.649.60000110.1N1879 N1883N1879-T1881 VanDerWaalsContact C-N 3.25Å; N1879-T1881 PolarHBondContact O-N 3.33Å; N1879-T1881 VanDerWaalsContact O-N 3.13Å; T1881-N1883 PolarHBondContact O-N 3.4Å; T1881-N1883 VanDerWaalsContact O-N 3.13Å
1882N25Very low28.4Very low161 Ų161108.7 Ų108.786%0.86166%0.657SS**  trans-55.4119173.4-79.2-27.7000113.1
1883N26.3Very low29.1Very low151.8 Ų151.8106.5 Ų106.581%0.81265%0.646SS**  trans-142.2130.8149.4-89.5-25.3000110.2T1881 V1885T1881-N1883 PolarHBondContact O-N 3.4Å; T1881-N1883 VanDerWaalsContact O-N 3.13Å; N1883-V1885 VanDerWaalsContact C-N 3.29Å; N1883-V1885 PolarHBondContact O-N 3.09Å; N1883-V1885 VanDerWaalsContact O-N 3.14Å
1884T25.6Very low29.6Very low145.4 Ų145.4102.8 Ų102.889%0.89263%0.626SS**  trans-76.677.2176.9500000113
1885V26.9Very low30Very low127.2 Ų127.298.6 Ų98.677%0.77162%0.617SS**  trans-109.6126.2170.6-177.90000109.7N1883 W1887N1883-V1885 VanDerWaalsContact C-N 3.29Å; N1883-V1885 PolarHBondContact O-N 3.09Å; N1883-V1885 VanDerWaalsContact O-N 3.14Å; V1885-W1887 PolarHBondContact O-N 3.23Å
1886G25.6Very low30.6Very low63.8 Ų63.8102.2 Ų102.266%0.65862%0.615SS**  trans-3299.3172.600000116.6T1888G1886-T1888 PolarHBondContact O-N 3.02Å
1887W27.9Very low31.1Very low204.8 Ų204.8100.3 Ų100.378%0.77661%0.606SS**  trans-105.291163.4-80.953.3000109.5Q1667 P1669 V1885 G1889Q1667-W1887 HydrophobicContact CB-CH2 3.83Å; Q1667-W1887 HydrophobicContact CB-CZ3 3.89Å; Q1667-W1887 WeakPolarHBondContact O-CZ3 3.37Å; P1669-W1887 HydrophobicContact CG-CZ3 4.37Å; V1885-W1887 PolarHBondContact O-N 3.23Å; W1887-G1889 VanDerWaalsContact C-N 3.29Å; W1887-G1889 PolarHBondContact O-N 2.87Å; W1887-G1889 VanDerWaalsContact O-N 3.13Å
1888T30.8Very low32Very low95.2 Ų95.294.3 Ų94.358%0.58458%0.579SS**  trans-89.233.1176.751.40000111.8V1765 G1886 A1890V1765-T1888 HydrophobicContact CG1-CG2 3.96Å; G1886-T1888 PolarHBondContact O-N 3.02Å; T1888-A1890 PolarHBondContact O-N 3.34Å
1889G35.8Very low33.2Very low38.2 Ų38.290.8 Ų90.839%0.39456%0.56SS.*  trans-11731.9-178.500000114.1P1669 W1887 G1891 G1892P1669-G1889 VanDerWaalsContact CB-O 3.29Å; P1669-G1889 WeakPolarHBondContact CB-O 3.48Å; W1887-G1889 VanDerWaalsContact C-N 3.29Å; W1887-G1889 PolarHBondContact O-N 2.87Å; W1887-G1889 VanDerWaalsContact O-N 3.13Å; G1889-G1891 VanDerWaalsContact C-N 3.33Å; G1889-G1891 PolarHBondContact O-N 3.15Å; G1889-G1892 PolarHBondContact O-N 3.13Å
1890A35.6Very low35.2Very low26.2 Ų26.284.5 Ų84.522%0.21753%0.528CS..THydrogen-bonded Turntrans-76.3-7-177.100000113.5L1672 H1676 D1767 T1888 G1892L1672-A1890 HydrophobicContact CD1-CB 4.28Å; H1676-A1890 PolarHBondContact CD2-O 3.2Å; D1767-A1890 PolarHBondContact OD2-N 3.01Å; T1888-A1890 PolarHBondContact O-N 3.34Å; A1890-G1892 VanDerWaalsContact C-N 3.31Å; A1890-G1892 PolarHBondContact O-N 3.14Å
1891G37.7Very low37.7Very low6.2 Ų6.279.6 Ų79.66%0.06450%0.496CS..THydrogen-bonded Turntrans-740.8178.600000116.2D1767 L1816 G1889 S1893D1767-G1891 WeakPolarHBondContact OD2-CA 3.16Å; D1767-G1891 PolarHBondContact OD2-N 3.37Å; L1816-G1891 VanDerWaalsContact CD1-O 3.29Å; L1816-G1891 WeakPolarHBondContact CD1-O 3.37Å; G1889-G1891 VanDerWaalsContact C-N 3.33Å; G1889-G1891 PolarHBondContact O-N 3.15Å; G1891-S1893 VanDerWaalsContact C-N 3.3Å; G1891-S1893 PolarHBondContact O-N 3.24Å
1892G39Very low40.4Very low20 Ų2076.6 Ų76.621%0.20647%0.473CS..SBendtrans72.516.7175.400000116.1A1673 G1889 A1890 G1894A1673-G1892 VanDerWaalsContact CB-CA 3.42Å; A1673-G1892 WeakPolarHBondContact CB-O 3.41Å; G1889-G1892 PolarHBondContact O-N 3.13Å; A1890-G1892 VanDerWaalsContact C-N 3.31Å; A1890-G1892 PolarHBondContact O-N 3.14Å; G1892-G1894 VanDerWaalsContact C-N 3.29Å; G1892-G1894 PolarHBondContact O-N 2.94Å; G1892-G1894 VanDerWaalsContact O-N 3.17Å
1893S39.6Very low43.3Very low52.6 Ų52.670.5 Ų70.537%0.36844%0.44SS..  trans-66.581.2164.361.70000110.6G1891 G1895G1891-S1893 VanDerWaalsContact C-N 3.3Å; G1891-S1893 PolarHBondContact O-N 3.24Å; S1893-G1895 PolarHBondContact O-N 3.27Å
1894G34.9Very low46.2Very low33.4 Ų33.464.2 Ų64.234%0.34441%0.407SS..  trans-75121173.600000111.2P1669 G1892 F1896 D1899P1669-G1894 WeakPolarHBondContact CB-O 3.43Å; P1669-G1894 WeakPolarHBondContact CG-O 3.43Å; G1892-G1894 VanDerWaalsContact C-N 3.29Å; G1892-G1894 PolarHBondContact O-N 2.94Å; G1892-G1894 VanDerWaalsContact O-N 3.17Å; G1894-F1896 VanDerWaalsContact C-N 3.25Å; G1894-F1896 PolarHBondContact O-N 2.92Å; G1894-F1896 VanDerWaalsContact O-N 3.14Å; G1894-D1899 WeakPolarHBondContact CA-OD2 3.37Å; G1894-D1899 PolarHBondContact N-OD2 2.67Å
1895G35Very low49.3Very low55.8 Ų55.857.5 Ų57.558%0.57537%0.366SS*.SBendtrans-128.491.4173.100000112.9S1893S1893-G1895 PolarHBondContact O-N 3.27Å
1896F36.3Very low52.4Low164.8 Ų164.852.8 Ų52.872%0.72334%0.336SS*.SBendtrans-74.9139.2-180-57.6-84.7000112.9G1894 G1898 D1899G1894-F1896 VanDerWaalsContact C-N 3.25Å; G1894-F1896 PolarHBondContact O-N 2.92Å; G1894-F1896 VanDerWaalsContact O-N 3.14Å; F1896-G1898 PolarHBondContact O-N 3.28Å; F1896-G1898 VanDerWaalsContact O-N 3.14Å; F1896-D1899 PolarHBondContact N-OD2 3.29Å; F1896-D1899 VanDerWaalsContact N-OD2 3.16Å; F1896-D1899 WeakPolarHBondContact O-CB 3.39Å; F1896-D1899 VanDerWaalsContact O-CG 3.27Å; F1896-D1899 PolarHBondContact O-N 3.09Å; F1896-D1899 VanDerWaalsContact O-N 3.12Å
1897A37Very low55.6Low56.2 Ų56.250.1 Ų50.146%0.46431%0.307SS..Hα-helixtrans-73.9-14.3175.200000112.2C1901 Q2112 I2113A1897-C1901 PolarHBondContact O-SG 3.32Å; A1897-Q2112 HydrophobicContact CB-CB 4.4Å; A1897-I2113 HydrophobicContact CB-CD1 4.03Å
1898G45Very low58.8Low23.4 Ų23.440.3 Ų40.324%0.24127%0.27CS..Hα-helixtrans-62.5-25.3-179.400000115.6F1896 S1900 C1901 E1902 Q2112F1896-G1898 PolarHBondContact O-N 3.28Å; F1896-G1898 VanDerWaalsContact O-N 3.14Å; G1898-S1900 VanDerWaalsContact C-N 3.28Å; G1898-S1900 PolarHBondContact O-N 3.4Å; G1898-S1900 VanDerWaalsContact O-N 3.09Å; G1898-C1901 WeakPolarHBondContact O-CA 3.08Å; G1898-C1901 WeakPolarHBondContact O-CB 3.18Å; G1898-C1901 PolarHBondContact O-N 3.13Å; G1898-C1901 PolarHBondContact O-SG 2.99Å; G1898-C1901 VanDerWaalsContact O-SG 3.33Å; G1898-E1902 PolarHBondContact O-N 3.13Å; G1898-Q2112 VanDerWaalsContact N-OE1 3.11Å
1899D53.8Low61.8Low81 Ų8135.8 Ų35.843%0.43324%0.242SC..THydrogen-bonded Turntrans-49.63.5-175.7-65.5-3.4000115.3G1894 F1896 C1901 L1903G1894-D1899 WeakPolarHBondContact CA-OD2 3.37Å; G1894-D1899 PolarHBondContact N-OD2 2.67Å; F1896-D1899 PolarHBondContact N-OD2 3.29Å; F1896-D1899 VanDerWaalsContact N-OD2 3.16Å; F1896-D1899 WeakPolarHBondContact O-CB 3.39Å; F1896-D1899 VanDerWaalsContact O-CG 3.27Å; F1896-D1899 PolarHBondContact O-N 3.09Å; F1896-D1899 VanDerWaalsContact O-N 3.12Å; D1899-C1901 VanDerWaalsContact C-N 3.31Å; D1899-C1901 WeakPolarHBondContact O-CA 3.47Å; D1899-C1901 PolarHBondContact O-N 3.46Å; D1899-L1903 PolarHBondContact O-N 3.4Å
1900S69.3Low64.6Low12 Ų1234.9 Ų34.98%0.08423%0.228CC..THydrogen-bonded Turntrans-101.30.6176.3-58.20000114N1815 G1898 E1902 L1903 M1904N1815-S1900 WeakPolarHBondContact CB-OG 3.4Å; N1815-S1900 VanDerWaalsContact ND2-CB 3.34Å; N1815-S1900 WeakPolarHBondContact ND2-CB 3.37Å; N1815-S1900 PolarHBondContact ND2-OG 3.17Å; G1898-S1900 VanDerWaalsContact C-N 3.28Å; G1898-S1900 PolarHBondContact O-N 3.4Å; G1898-S1900 VanDerWaalsContact O-N 3.09Å; S1900-E1902 VanDerWaalsContact C-N 3.3Å; S1900-E1902 PolarHBondContact O-N 3.21Å; S1900-L1903 WeakPolarHBondContact O-CB 3.36Å; S1900-L1903 PolarHBondContact O-N 3.2Å; S1900-L1903 VanDerWaalsContact O-N 3.15Å; S1900-M1904 WeakPolarHBondContact O-CB 3.27Å; S1900-M1904 VanDerWaalsContact O-CG 3.27Å; S1900-M1904 WeakPolarHBondContact O-CG 3.4Å; S1900-M1904 PolarHBondContact O-N 3.02Å; S1900-M1904 VanDerWaalsContact O-N 3.08Å
1901C76.8Confident67.5Low26.4 Ų26.433.6 Ų33.618%0.17822%0.218CC..Hα-helixtrans-69.6-40.3-173.8-48.80000111.5L1849 A1897 G1898 D1899 L1903 M1904 A1905 V2123L1849-C1901 HydrophobicContact CD1-CB 4.23Å; L1849-C1901 HydrophobicContact CD2-CB 3.84Å; L1849-C1901 VanDerWaalsContact CD2-SG 3.53Å; L1849-C1901 WeakPolarHBondContact CD2-SG 3.31Å; A1897-C1901 PolarHBondContact O-SG 3.32Å; G1898-C1901 WeakPolarHBondContact O-CA 3.08Å; G1898-C1901 WeakPolarHBondContact O-CB 3.18Å; G1898-C1901 PolarHBondContact O-N 3.13Å; G1898-C1901 PolarHBondContact O-SG 2.99Å; G1898-C1901 VanDerWaalsContact O-SG 3.33Å; D1899-C1901 VanDerWaalsContact C-N 3.31Å; D1899-C1901 WeakPolarHBondContact O-CA 3.47Å; D1899-C1901 PolarHBondContact O-N 3.46Å; C1901-L1903 VanDerWaalsContact C-N 3.33Å; C1901-M1904 PolarHBondContact O-N 3.17Å; C1901-A1905 VanDerWaalsContact O-CB 3.3Å; C1901-A1905 WeakPolarHBondContact O-CB 3.35Å; C1901-A1905 PolarHBondContact O-N 3.17Å; C1901-V2123 HydrophobicContact CB-CG1 4.32Å
1902E84Confident70.2Confident63.2 Ų63.233.3 Ų33.330%0.29522%0.215SC..Hα-helixtrans-63.5-42.8174.9-60.7120.4174.400111.4G1898 S1900 M1904 A1905 L1906 V2123 W2540 Y2541G1898-E1902 PolarHBondContact O-N 3.13Å; S1900-E1902 VanDerWaalsContact C-N 3.3Å; S1900-E1902 PolarHBondContact O-N 3.21Å; E1902-M1904 VanDerWaalsContact C-N 3.34Å; E1902-M1904 PolarHBondContact O-N 2.96Å; E1902-A1905 PolarHBondContact O-N 2.89Å; E1902-L1906 VanDerWaalsContact O-CB 3.28Å; E1902-L1906 WeakPolarHBondContact O-CB 3.31Å; E1902-L1906 PolarHBondContact O-N 3.31Å; E1902-V2123 HydrophobicContact CG-CB 4.5Å; E1902-V2123 HydrophobicContact CG-CG1 4.33Å; E1902-V2123 HydrophobicContact CG-CG2 4.19Å; E1902-W2540 PolarHBondContact OE1-NE1 3.32Å; E1902-W2540 PolarHBondContact OE2-NE1 3.03Å; E1902-Y2541 HydrophobicContact CB-CD1 3.81Å; E1902-Y2541 HydrophobicContact CB-CE1 4.02Å; E1902-Y2541 HydrophobicContact CG-CD1 4.17Å; E1902-Y2541 HydrophobicContact CG-CE1 3.83Å
1903L87.2Confident72.9Confident32.6 Ų32.632.4 Ų32.417%0.17121%0.205CC..Hα-helixtrans-60.5-46.3175.2176.863.5000111.7L1816 A1819 D1899 S1900 C1901 S1907 W2540 L2543L1816-L1903 HydrophobicContact CD1-CD2 4.37Å; L1816-L1903 HydrophobicContact CD2-CD2 4.07Å; A1819-L1903 HydrophobicContact CB-CD1 4.36Å; A1819-L1903 HydrophobicContact CB-CD2 3.91Å; A1819-L1903 HydrophobicContact CB-CG 3.78Å; D1899-L1903 PolarHBondContact O-N 3.4Å; S1900-L1903 WeakPolarHBondContact O-CB 3.36Å; S1900-L1903 PolarHBondContact O-N 3.2Å; S1900-L1903 VanDerWaalsContact O-N 3.15Å; C1901-L1903 VanDerWaalsContact C-N 3.33Å; L1903-S1907 VanDerWaalsContact O-CB 3.26Å; L1903-S1907 WeakPolarHBondContact O-CB 3.37Å; L1903-S1907 PolarHBondContact O-N 3.17Å; L1903-S1907 PolarHBondContact O-OG 3.05Å; L1903-W2540 WeakPolarHBondContact CB-O 3.43Å; L1903-W2540 PolarHBondContact N-O 3.34Å; L1903-W2540 VanDerWaalsContact N-O 3.13Å; L1903-L2543 HydrophobicContact CD1-CB 3.92Å
1904M87.6Confident75.5Confident20.2 Ų20.230.3 Ų30.310%0.119%0.19CC..Hα-helixtrans-65.9-48.8179.2-68-67.1-91.900111N1815 Q1818 A1819 I1822 S1900 C1901 E1902 L1906 S1907 A1908N1815-M1904 HydrophobicContact CB-CE 3.8Å; Q1818-M1904 HydrophobicContact CB-CE 3.7Å; Q1818-M1904 VanDerWaalsContact CB-CE 3.49Å; Q1818-M1904 HydrophobicContact CB-SD 3.94Å; A1819-M1904 VanDerWaalsContact CA-SD 3.59Å; A1819-M1904 WeakPolarHBondContact CA-SD 3.27Å; A1819-M1904 HydrophobicContact CB-CG 4.5Å; A1819-M1904 HydrophobicContact CB-SD 3.8Å; A1819-M1904 PolarHBondContact N-SD 3.16Å; A1819-M1904 VanDerWaalsContact N-SD 3.44Å; I1822-M1904 HydrophobicContact CD1-CE 3.32Å; I1822-M1904 VanDerWaalsContact CD1-CE 3.44Å; I1822-M1904 HydrophobicContact CD1-SD 3.8Å; I1822-M1904 HydrophobicContact CG1-CE 4.34Å; S1900-M1904 WeakPolarHBondContact O-CB 3.27Å; S1900-M1904 VanDerWaalsContact O-CG 3.27Å; S1900-M1904 WeakPolarHBondContact O-CG 3.4Å; S1900-M1904 PolarHBondContact O-N 3.02Å; S1900-M1904 VanDerWaalsContact O-N 3.08Å; C1901-M1904 PolarHBondContact O-N 3.17Å; E1902-M1904 VanDerWaalsContact C-N 3.34Å; E1902-M1904 PolarHBondContact O-N 2.96Å; M1904-L1906 PolarHBondContact O-N 3.25Å; M1904-S1907 PolarHBondContact O-N 3.16Å; M1904-S1907 VanDerWaalsContact O-N 3.13Å; M1904-S1907 PolarHBondContact O-OG 3.25Å; M1904-A1908 VanDerWaalsContact O-CB 3.29Å; M1904-A1908 WeakPolarHBondContact O-CB 3.27Å; M1904-A1908 PolarHBondContact O-N 3.41Å
1905A90.1Very high78.4Confident4.8 Ų4.828.7 Ų28.74%0.0417%0.173CC..Hα-helixtrans-60.9-45.717900000112.1L1845 C1901 E1902 S1907 A1908 G1909 V2123L1845-A1905 HydrophobicContact CD1-CB 4.21Å; L1845-A1905 VanDerWaalsContact CD1-O 3.24Å; L1845-A1905 WeakPolarHBondContact CD1-O 3.41Å; C1901-A1905 VanDerWaalsContact O-CB 3.3Å; C1901-A1905 WeakPolarHBondContact O-CB 3.35Å; C1901-A1905 PolarHBondContact O-N 3.17Å; E1902-A1905 PolarHBondContact O-N 2.89Å; A1905-S1907 VanDerWaalsContact C-N 3.35Å; A1905-S1907 PolarHBondContact O-N 3.16Å; A1905-A1908 PolarHBondContact O-N 3.11Å; A1905-G1909 PolarHBondContact O-N 2.91Å; A1905-V2123 HydrophobicContact CB-CG1 3.72Å; A1905-V2123 WeakPolarHBondContact CB-O 3.37Å
1906L92.1Very high81.2Confident27.6 Ų27.626.1 Ų26.115%0.14515%0.146CC..Hα-helixtrans-63.7-43.5175.3-175.965.9000111.5E1902 M1904 A1908 G1909 L1910 P2126 F2529 Y2541 H2542E1902-L1906 VanDerWaalsContact O-CB 3.28Å; E1902-L1906 WeakPolarHBondContact O-CB 3.31Å; E1902-L1906 PolarHBondContact O-N 3.31Å; M1904-L1906 PolarHBondContact O-N 3.25Å; L1906-A1908 VanDerWaalsContact C-N 3.31Å; L1906-A1908 PolarHBondContact O-N 3.33Å; L1906-G1909 PolarHBondContact O-N 3.22Å; L1906-L1910 HydrophobicContact CD1-CD1 4.32Å; L1906-L1910 HydrophobicContact CD1-CG 4.32Å; L1906-L1910 HydrophobicContact CD2-CD1 4.22Å; L1906-L1910 HydrophobicContact CG-CD1 4.06Å; L1906-L1910 HydrophobicContact CG-CG 4.25Å; L1906-L1910 WeakPolarHBondContact O-CB 3.26Å; L1906-L1910 VanDerWaalsContact O-CG 3.3Å; L1906-L1910 WeakPolarHBondContact O-CG 3.4Å; L1906-L1910 PolarHBondContact O-N 3.1Å; L1906-P2126 HydrophobicContact CD1-CB 4.4Å; L1906-F2529 HydrophobicContact CD1-CE1 4.24Å; L1906-F2529 HydrophobicContact CD1-CE2 3.8Å; L1906-F2529 HydrophobicContact CD1-CZ 3.48Å; L1906-F2529 VanDerWaalsContact CD1-CZ 3.45Å; L1906-F2529 HydrophobicContact CD2-CD1 4.05Å; L1906-F2529 HydrophobicContact CD2-CE1 3.51Å; L1906-F2529 HydrophobicContact CD2-CE2 4.25Å; L1906-F2529 HydrophobicContact CD2-CG 4.46Å; L1906-F2529 HydrophobicContact CD2-CZ 3.62Å; L1906-F2529 VanDerWaalsContact CD2-CZ 3.48Å; L1906-F2529 HydrophobicContact CG-CE1 4.47Å; L1906-F2529 HydrophobicContact CG-CZ 4.21Å; L1906-Y2541 WeakPolarHBondContact CB-O 3.48Å; L1906-Y2541 WeakPolarHBondContact CD2-O 3.42Å; L1906-H2542 HydrophobicContact CD2-CB 4Å
1907S92.7Very high83.9Confident7 Ų719.4 Ų19.45%0.04912%0.118CC..Hα-helixtrans-61.2-39.9177.1360000112I1822 L1903 M1904 A1905 A1911I1822-S1907 WeakPolarHBondContact CG2-OG 3.4Å; L1903-S1907 VanDerWaalsContact O-CB 3.26Å; L1903-S1907 WeakPolarHBondContact O-CB 3.37Å; L1903-S1907 PolarHBondContact O-N 3.17Å; L1903-S1907 PolarHBondContact O-OG 3.05Å; M1904-S1907 PolarHBondContact O-N 3.16Å; M1904-S1907 VanDerWaalsContact O-N 3.13Å; M1904-S1907 PolarHBondContact O-OG 3.25Å; A1905-S1907 VanDerWaalsContact C-N 3.35Å; A1905-S1907 PolarHBondContact O-N 3.16Å; S1907-A1911 WeakPolarHBondContact O-CB 3.38Å; S1907-A1911 PolarHBondContact O-N 3.11Å
1908A93.7Very high86.5Confident0 Ų022.2 Ų22.20%012%0.121CC..Hα-helixtrans-67.8-42.2176.400000112I1822 E1844 L1845 M1904 A1905 L1906 A1911 L1912I1822-A1908 VanDerWaalsContact CG2-CA 3.48Å; I1822-A1908 HydrophobicContact CG2-CB 4.01Å; E1844-A1908 HydrophobicContact CB-CB 4.21Å; E1844-A1908 HydrophobicContact CG-CB 4.23Å; L1845-A1908 HydrophobicContact CB-CB 4.27Å; M1904-A1908 VanDerWaalsContact O-CB 3.29Å; M1904-A1908 WeakPolarHBondContact O-CB 3.27Å; M1904-A1908 PolarHBondContact O-N 3.41Å; A1905-A1908 PolarHBondContact O-N 3.11Å; L1906-A1908 VanDerWaalsContact C-N 3.31Å; L1906-A1908 PolarHBondContact O-N 3.33Å; A1908-A1911 PolarHBondContact O-N 3.3Å; A1908-L1912 WeakPolarHBondContact O-CB 3.31Å; A1908-L1912 PolarHBondContact O-N 2.92Å
1909G94.3Very high88.6Confident0 Ų025.9 Ų25.90%013%0.128CC..Hα-helixtrans-62.6-45.8174.900000113A1905 L1906 L1912 G1913 G2127 A2131A1905-G1909 PolarHBondContact O-N 2.91Å; L1906-G1909 PolarHBondContact O-N 3.22Å; G1909-L1912 PolarHBondContact O-N 3.21Å; G1909-G1913 PolarHBondContact O-N 2.98Å; G1909-G2127 VanDerWaalsContact CA-O 3.32Å; G1909-G2127 WeakPolarHBondContact CA-O 3.28Å; G1909-A2131 WeakPolarHBondContact O-CB 3.2Å
1910L95.5Very high90.1Very high19.2 Ų19.222.5 Ų22.510%0.10111%0.113CC..Hα-helixtrans-65.9-41.2175.5-67.7174.6000112F1823 L1906 L1912 G1913 L1914 M2130 M2134 I2526 L2546F1823-L1910 HydrophobicContact CD2-CB 4.2Å; F1823-L1910 HydrophobicContact CE2-CB 4.11Å; F1823-L1910 HydrophobicContact CE2-CD1 4.34Å; L1906-L1910 HydrophobicContact CD1-CD1 4.32Å; L1906-L1910 HydrophobicContact CD1-CG 4.32Å; L1906-L1910 HydrophobicContact CD2-CD1 4.22Å; L1906-L1910 HydrophobicContact CG-CD1 4.06Å; L1906-L1910 HydrophobicContact CG-CG 4.25Å; L1906-L1910 WeakPolarHBondContact O-CB 3.26Å; L1906-L1910 VanDerWaalsContact O-CG 3.3Å; L1906-L1910 WeakPolarHBondContact O-CG 3.4Å; L1906-L1910 PolarHBondContact O-N 3.1Å; L1910-L1912 VanDerWaalsContact C-N 3.34Å; L1910-L1912 PolarHBondContact O-N 3.18Å; L1910-G1913 PolarHBondContact O-N 3.18Å; L1910-L1914 WeakPolarHBondContact O-CG 3.27Å; L1910-L1914 PolarHBondContact O-N 3.23Å; L1910-M2130 HydrophobicContact CD2-CB 3.95Å; L1910-M2130 HydrophobicContact CD2-CE 4.22Å; L1910-M2130 HydrophobicContact CD2-CG 4.27Å; L1910-M2134 HydrophobicContact CD2-CE 4.08Å; L1910-M2134 HydrophobicContact CD2-SD 4.26Å; L1910-I2526 HydrophobicContact CB-CG1 4.45Å; L1910-I2526 HydrophobicContact CD1-CG1 4.32Å; L1910-I2526 HydrophobicContact CD2-CG1 4.03Å; L1910-I2526 HydrophobicContact CG-CG1 4.47Å; L1910-L2546 HydrophobicContact CD1-CD1 4.46Å
1911A95.6Very high90.7Very high0 Ų027.4 Ų27.40%014%0.137CC..Hα-helixtrans-62.1-43.817500000111.8I1822 L1841 S1907 A1908 G1913 L1914 V1915I1822-A1911 HydrophobicContact CG2-CB 4.11Å; I1822-A1911 VanDerWaalsContact O-CB 3.31Å; I1822-A1911 WeakPolarHBondContact O-CB 3.36Å; L1841-A1911 HydrophobicContact CD1-CB 3.95Å; L1841-A1911 HydrophobicContact CD2-CB 3.98Å; S1907-A1911 WeakPolarHBondContact O-CB 3.38Å; S1907-A1911 PolarHBondContact O-N 3.11Å; A1908-A1911 PolarHBondContact O-N 3.3Å; A1911-G1913 VanDerWaalsContact C-N 3.34Å; A1911-G1913 PolarHBondContact O-N 3.05Å; A1911-L1914 WeakPolarHBondContact O-CB 3.33Å; A1911-L1914 PolarHBondContact O-N 3.17Å; A1911-V1915 WeakPolarHBondContact O-CG2 3.33Å; A1911-V1915 PolarHBondContact O-N 3.22Å
1912L95.2Very high91Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-62.5-43.3176.6-179.464.4000111.2T1838 L1841 I1842 L1845 A1908 G1909 L1910 L1914 V1915 L1916 L1935 A2131T1838-L1912 HydrophobicContact CG2-CD1 3.85Å; L1841-L1912 HydrophobicContact CB-CB 4.18Å; L1841-L1912 HydrophobicContact CB-CD1 4.24Å; L1841-L1912 HydrophobicContact CD1-CB 4.43Å; I1842-L1912 HydrophobicContact CB-CD2 4.31Å; I1842-L1912 HydrophobicContact CD1-CD1 4.36Å; I1842-L1912 HydrophobicContact CG1-CD1 3.92Å; I1842-L1912 HydrophobicContact CG1-CD2 3.76Å; I1842-L1912 HydrophobicContact CG1-CG 4.45Å; L1845-L1912 HydrophobicContact CD2-CD2 4.42Å; A1908-L1912 WeakPolarHBondContact O-CB 3.31Å; A1908-L1912 PolarHBondContact O-N 2.92Å; G1909-L1912 PolarHBondContact O-N 3.21Å; L1910-L1912 VanDerWaalsContact C-N 3.34Å; L1910-L1912 PolarHBondContact O-N 3.18Å; L1912-L1914 VanDerWaalsContact C-N 3.31Å; L1912-L1914 PolarHBondContact O-N 3.19Å; L1912-V1915 PolarHBondContact O-N 3.14Å; L1912-L1916 HydrophobicContact CD1-CD1 3.77Å; L1912-L1916 HydrophobicContact CD1-CG 4.14Å; L1912-L1916 HydrophobicContact CG-CD1 4.03Å; L1912-L1916 WeakPolarHBondContact O-CB 3.33Å; L1912-L1916 WeakPolarHBondContact O-CG 3.28Å; L1912-L1916 PolarHBondContact O-N 3.29Å; L1912-L1935 HydrophobicContact CD2-CD1 4.25Å; L1912-L1935 HydrophobicContact CD2-CD2 3.81Å; L1912-L1935 HydrophobicContact CD2-CG 4.46Å; L1912-A2131 HydrophobicContact CB-CB 4.4Å; L1912-A2131 HydrophobicContact CD2-CB 4.09Å; L1912-A2131 HydrophobicContact CG-CB 4.31Å
1913G94.5Very high90.1Very high0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-59.4-38.1173.400000113.2G1909 L1910 A1911 L1917 M2134G1909-G1913 PolarHBondContact O-N 2.98Å; L1910-G1913 PolarHBondContact O-N 3.18Å; A1911-G1913 VanDerWaalsContact C-N 3.34Å; A1911-G1913 PolarHBondContact O-N 3.05Å; G1913-L1917 WeakPolarHBondContact O-CA 3.35Å; G1913-L1917 PolarHBondContact O-N 3.09Å; G1913-L1917 VanDerWaalsContact O-N 3.12Å; G1913-M2134 WeakPolarHBondContact O-CB 3.26Å
1914L95.4Very high89.5Confident8.2 Ų8.233.4 Ų33.44%0.04318%0.183CC..Hα-helixtrans-68.2-43.7173.3-72.1171.6000112.3F1823 G1826 L1827 Q1830 G1831 L1910 A1911 L1912 L1916 L1917 M2134 A2522 M2523 I2526F1823-L1914 HydrophobicContact CE2-CD1 3.96Å; F1823-L1914 HydrophobicContact CZ-CD1 4.12Å; G1826-L1914 WeakPolarHBondContact O-CB 3.43Å; L1827-L1914 HydrophobicContact CD2-CD1 3.93Å; L1827-L1914 HydrophobicContact CG-CD1 4.34Å; Q1830-L1914 CarbonylContact C-O 3.45Å; Q1830-L1914 WeakPolarHBondContact CA-O 3.4Å; Q1830-L1914 HydrophobicContact CG-CB 4.4Å; Q1830-L1914 HydrophobicContact CG-CD2 4.23Å; G1831-L1914 PolarHBondContact N-O 3.29Å; L1910-L1914 WeakPolarHBondContact O-CG 3.27Å; L1910-L1914 PolarHBondContact O-N 3.23Å; A1911-L1914 WeakPolarHBondContact O-CB 3.33Å; A1911-L1914 PolarHBondContact O-N 3.17Å; L1912-L1914 VanDerWaalsContact C-N 3.31Å; L1912-L1914 PolarHBondContact O-N 3.19Å; L1914-L1916 VanDerWaalsContact C-N 3.31Å; L1914-L1916 PolarHBondContact O-N 2.97Å; L1914-L1917 VanDerWaalsContact O-CB 3.31Å; L1914-L1917 WeakPolarHBondContact O-CB 3.4Å; L1914-L1917 PolarHBondContact O-N 3.23Å; L1914-M2134 HydrophobicContact CD2-CE 3.79Å; L1914-M2134 HydrophobicContact CG-CE 3.88Å; L1914-A2522 HydrophobicContact CD2-CB 4.09Å; L1914-M2523 HydrophobicContact CD2-SD 4.16Å; L1914-I2526 HydrophobicContact CD1-CD1 3.9Å; L1914-I2526 HydrophobicContact CD2-CD1 3.91Å; L1914-I2526 HydrophobicContact CG-CD1 3.99Å
1915V95.1Very high89.1Confident0 Ų034.6 Ų34.60%020%0.2CC..Hα-helixtrans-64.1-37.5179173.50000111.8G1831 S1832 A1833 I1837 L1841 A1911 L1912G1831-V1915 CarbonylContact C-O 3.57Å; G1831-V1915 WeakPolarHBondContact CA-O 3.49Å; G1831-V1915 PolarHBondContact N-O 2.88Å; S1832-V1915 PolarHBondContact N-O 3.25Å; A1833-V1915 PolarHBondContact N-O 3.27Å; A1833-V1915 VanDerWaalsContact N-O 3.1Å; I1837-V1915 HydrophobicContact CG2-CG2 4.22Å; L1841-V1915 HydrophobicContact CD1-CG2 4.04Å; A1911-V1915 WeakPolarHBondContact O-CG2 3.33Å; A1911-V1915 PolarHBondContact O-N 3.22Å; L1912-V1915 PolarHBondContact O-N 3.14Å
1916L94.1Very high88.8Confident0.8 Ų0.834.8 Ų34.80%0.00420%0.201CC..THydrogen-bonded Turntrans-93.15.5-179.4-61.8-179.3000114.2T1838 L1912 L1914 Q1918 R1919 L1926 W1931 A2135T1838-L1916 HydrophobicContact CG2-CD1 4.34Å; T1838-L1916 HydrophobicContact CG2-CD2 4Å; T1838-L1916 HydrophobicContact CG2-CG 4.44Å; L1912-L1916 HydrophobicContact CD1-CD1 3.77Å; L1912-L1916 HydrophobicContact CD1-CG 4.14Å; L1912-L1916 HydrophobicContact CG-CD1 4.03Å; L1912-L1916 WeakPolarHBondContact O-CB 3.33Å; L1912-L1916 WeakPolarHBondContact O-CG 3.28Å; L1912-L1916 PolarHBondContact O-N 3.29Å; L1914-L1916 VanDerWaalsContact C-N 3.31Å; L1914-L1916 PolarHBondContact O-N 2.97Å; L1916-Q1918 PolarHBondContact O-N 3.13Å; L1916-Q1918 VanDerWaalsContact O-N 3.13Å; L1916-R1919 VanDerWaalsContact O-CB 3.25Å; L1916-R1919 WeakPolarHBondContact O-CB 3.36Å; L1916-R1919 WeakPolarHBondContact O-CG 3.27Å; L1916-R1919 PolarHBondContact O-N 3.23Å; L1916-L1926 HydrophobicContact CD2-CD1 3.45Å; L1916-L1926 VanDerWaalsContact CD2-CD1 3.45Å; L1916-W1931 HydrophobicContact CD1-CD2 3.84Å; L1916-W1931 HydrophobicContact CD1-CE3 3.55Å; L1916-W1931 HydrophobicContact CD1-CH2 4.1Å; L1916-W1931 HydrophobicContact CD1-CZ2 4.34Å; L1916-W1931 HydrophobicContact CD1-CZ3 3.69Å; L1916-A2135 HydrophobicContact CB-CB 3.72Å; L1916-A2135 HydrophobicContact CD1-CB 4.36Å; L1916-A2135 VanDerWaalsContact O-CA 3.28Å; L1916-A2135 WeakPolarHBondContact O-CA 3.46Å
1917L93.2Very high88.3Confident24.6 Ų24.638.8 Ų38.813%0.12923%0.231CC..THydrogen-bonded Turntrans-48.2119.6-171.5-174.867.4000112.9Q1830 G1913 L1914 R1919 M2134 L2137 E2519 A2522Q1830-L1917 HydrophobicContact CG-CD2 4.15Å; Q1830-L1917 VanDerWaalsContact NE2-CD2 3.27Å; G1913-L1917 WeakPolarHBondContact O-CA 3.35Å; G1913-L1917 PolarHBondContact O-N 3.09Å; G1913-L1917 VanDerWaalsContact O-N 3.12Å; L1914-L1917 VanDerWaalsContact O-CB 3.31Å; L1914-L1917 WeakPolarHBondContact O-CB 3.4Å; L1914-L1917 PolarHBondContact O-N 3.23Å; L1917-R1919 PolarHBondContact O-N 3.37Å; L1917-R1919 VanDerWaalsContact O-N 3.15Å; L1917-M2134 HydrophobicContact CD1-CB 4.34Å; L1917-M2134 HydrophobicContact CD1-CE 4.18Å; L1917-L2137 HydrophobicContact CD1-CD1 4.42Å; L1917-L2137 HydrophobicContact CD1-CD2 3.93Å; L1917-E2519 HydrophobicContact CD2-CB 4.34Å; L1917-E2519 HydrophobicContact CD2-CG 3.88Å; L1917-A2522 HydrophobicContact CD1-CB 3.8Å; L1917-A2522 HydrophobicContact CD2-CB 4.35Å
1918Q91.5Very high88Confident114.8 Ų114.842.8 Ų42.854%0.53625%0.252SS..THydrogen-bonded Turntrans55.518.5-176.3-62.9-166.3-39.100116.3L1916 M2134 A2135 L2137 P2518L1916-Q1918 PolarHBondContact O-N 3.13Å; L1916-Q1918 VanDerWaalsContact O-N 3.13Å; Q1918-M2134 PolarHBondContact N-O 3.08Å; Q1918-M2134 VanDerWaalsContact N-O 3.17Å; Q1918-A2135 CarbonylContact C-O 3.53Å; Q1918-A2135 WeakPolarHBondContact CA-O 3.28Å; Q1918-A2135 PolarHBondContact N-O 3.29Å; Q1918-L2137 HydrophobicContact CG-CB 4.1Å; Q1918-L2137 HydrophobicContact CG-CD2 4.25Å; Q1918-L2137 HydrophobicContact CG-CG 4.29Å; Q1918-L2137 PolarHBondContact NE2-O 2.92Å; Q1918-P2518 VanDerWaalsContact CD-CB 3.45Å; Q1918-P2518 HydrophobicContact CG-CB 3.91Å; Q1918-P2518 HydrophobicContact CG-CG 4.49Å
1919R89Confident87.5Confident101.2 Ų101.243.4 Ų43.438%0.38226%0.255SS..THydrogen-bonded Turntrans-83.8-29179.7-65-68.2-175.9-178.4-3113.2G1831 A1833 L1916 L1917 D1921 T1922 A2135G1831-R1919 VanDerWaalsContact O-CZ 3.26Å; G1831-R1919 PolarHBondContact O-NE 2.99Å; G1831-R1919 VanDerWaalsContact O-NE 3.13Å; G1831-R1919 PolarHBondContact O-NH2 3.1Å; A1833-R1919 HydrophobicContact CB-CB 4.37Å; A1833-R1919 HydrophobicContact CB-CG 4.12Å; L1916-R1919 VanDerWaalsContact O-CB 3.25Å; L1916-R1919 WeakPolarHBondContact O-CB 3.36Å; L1916-R1919 WeakPolarHBondContact O-CG 3.27Å; L1916-R1919 PolarHBondContact O-N 3.23Å; L1917-R1919 PolarHBondContact O-N 3.37Å; L1917-R1919 VanDerWaalsContact O-N 3.15Å; R1919-D1921 PolarHBondContact O-N 3.15Å; R1919-T1922 VanDerWaalsContact O-CB 3.28Å; R1919-T1922 WeakPolarHBondContact O-CB 3.31Å; R1919-T1922 VanDerWaalsContact O-CG2 3.25Å; R1919-T1922 WeakPolarHBondContact O-CG2 3.4Å; R1919-T1922 PolarHBondContact O-N 3.18Å; R1919-T1922 PolarHBondContact O-OG1 3.28Å; R1919-A2135 PolarHBondContact N-O 3.03Å
1920G85Confident87.1Confident10.4 Ų10.448.9 Ų48.911%0.10728%0.281CS..THydrogen-bonded Turntrans39.3-129.5-179.300000113.3T1922 W1931 A2135 Y2136G1920-T1922 VanDerWaalsContact C-N 3.3Å; G1920-T1922 PolarHBondContact O-N 3.09Å; G1920-W1931 WeakPolarHBondContact O-CZ2 3.19Å; G1920-A2135 PolarHBondContact N-O 3.11Å; G1920-Y2136 VanDerWaalsContact CA-CE1 3.49Å
1921D83.2Confident86.8Confident113.4 Ų113.448.8 Ų48.861%0.60628%0.279SS*.THydrogen-bonded Turntrans-87.516.3179.1-55.4-54.4000114.1R1919 Y2136 N2141R1919-D1921 PolarHBondContact O-N 3.15Å; D1921-Y2136 WeakPolarHBondContact OD1-CE1 3.4Å; D1921-Y2136 PolarHBondContact OD1-OH 3.09Å; D1921-Y2136 VanDerWaalsContact OD1-OH 3.09Å; D1921-Y2136 WeakPolarHBondContact OD2-CE1 3.48Å; D1921-N2141 PolarHBondContact OD2-ND2 3.29Å; D1921-N2141 VanDerWaalsContact OD2-ND2 3.13Å
1922T81.1Confident86.5Confident68 Ų6849.4 Ų49.442%0.41728%0.284SS..  trans-63.5145.1-179.458.40000111.8R1919 G1920 C1924R1919-T1922 VanDerWaalsContact O-CB 3.28Å; R1919-T1922 WeakPolarHBondContact O-CB 3.31Å; R1919-T1922 VanDerWaalsContact O-CG2 3.25Å; R1919-T1922 WeakPolarHBondContact O-CG2 3.4Å; R1919-T1922 PolarHBondContact O-N 3.18Å; R1919-T1922 PolarHBondContact O-OG1 3.28Å; G1920-T1922 VanDerWaalsContact C-N 3.3Å; G1920-T1922 PolarHBondContact O-N 3.09Å; T1922-C1924 VanDerWaalsContact C-N 3.28Å; T1922-C1924 PolarHBondContact O-N 3.13Å; T1922-C1924 PolarHBondContact O-SG 3.14Å; T1922-C1924 PolarHBondContact OG1-SG 3.11Å; T1922-C1924 VanDerWaalsContact OG1-SG 3.37Å
1923P66.6Low86.2Confident136.8 Ų136.854.7 Ų54.789%0.88831%0.309SS*.  trans-74.373.2-174.230.9-36.7000112.4
1924C73.9Confident85.9Confident44.6 Ų44.658.1 Ų58.130%0.30132%0.323SS..SBendtrans-99.414.8-177.9-490000114.1A1833 T1922 L1926A1833-C1924 HydrophobicContact CB-CB 3.78Å; T1922-C1924 VanDerWaalsContact C-N 3.28Å; T1922-C1924 PolarHBondContact O-N 3.13Å; T1922-C1924 PolarHBondContact O-SG 3.14Å; T1922-C1924 PolarHBondContact OG1-SG 3.11Å; T1922-C1924 VanDerWaalsContact OG1-SG 3.37Å; C1924-L1926 VanDerWaalsContact C-N 3.34Å; C1924-L1926 HydrophobicContact CB-CD1 4.39Å; C1924-L1926 HydrophobicContact CB-CG 4.35Å
1925G78.9Confident85.7Confident44.2 Ų44.257.7 Ų57.746%0.45632%0.321SS..SBendtrans74.425.2-17800000114.7R1835R1835-G1925 PolarHBondContact NH1-O 2.99Å; R1835-G1925 VanDerWaalsContact NH1-O 3.11Å
1926L84.7Confident85.5Confident9.2 Ų9.263.1 Ų63.15%0.04834%0.342CS..  trans-108.11.2179.4-61.1179000113.9A1833 R1835 T1838 L1916 C1924 D1928 L1929A1833-L1926 HydrophobicContact CB-CD1 4.1Å; R1835-L1926 HydrophobicContact CB-CD2 4.09Å; R1835-L1926 HydrophobicContact CG-CD2 4.45Å; T1838-L1926 HydrophobicContact CG2-CD1 4.36Å; T1838-L1926 HydrophobicContact CG2-CD2 4.1Å; L1916-L1926 HydrophobicContact CD2-CD1 3.45Å; L1916-L1926 VanDerWaalsContact CD2-CD1 3.45Å; C1924-L1926 VanDerWaalsContact C-N 3.34Å; C1924-L1926 HydrophobicContact CB-CD1 4.39Å; C1924-L1926 HydrophobicContact CB-CG 4.35Å; L1926-D1928 VanDerWaalsContact C-N 3.3Å; L1926-D1928 PolarHBondContact O-N 3Å; L1926-L1929 HydrophobicContact CD2-CD1 4.04Å; L1926-L1929 PolarHBondContact O-N 3.26Å
1927S81.9Confident85.3Confident111.6 Ų111.664.3 Ų64.378%0.7835%0.352SS*.G310 helixtrans-65.4-28.1-170.845.40000114.2
1928D85.5Confident85.1Confident91 Ų9163.4 Ų63.449%0.48735%0.347SS..G310 helixtrans-80.2-20.1178.467.3-38.4000113.9R1835 L1926 Q1930R1835-D1928 IonicContact CZ-OD1 3.14Å; R1835-D1928 IonicContact CZ-OD2 2.82Å; R1835-D1928 VanDerWaalsContact CZ-OD2 3.27Å; R1835-D1928 IonicContact NE-OD2 2.65Å; R1835-D1928 VanDerWaalsContact NH1-CG 3.29Å; R1835-D1928 IonicContact NH1-OD1 3.04Å; R1835-D1928 PolarHBondContact NH1-OD1 3.14Å; R1835-D1928 IonicContact NH1-OD2 3.47Å; R1835-D1928 PolarHBondContact NH1-OD2 3.17Å; R1835-D1928 VanDerWaalsContact NH1-OD2 3.11Å; R1835-D1928 IonicContact NH2-OD1 3.09Å; R1835-D1928 IonicContact NH2-OD2 3.31Å; R1835-D1928 PolarHBondContact NH2-OD2 3.2Å; L1926-D1928 VanDerWaalsContact C-N 3.3Å; L1926-D1928 PolarHBondContact O-N 3Å; D1928-Q1930 VanDerWaalsContact C-N 3.27Å; D1928-Q1930 PolarHBondContact O-N 3.14Å
1929L82.9Confident85Confident14 Ų1458.7 Ų58.77%0.07333%0.325CS..G310 helixtrans-75.6-16177.9-74.6169.9000112.9R1835 T1838 N1839 L1926 W1931 K1934R1835-L1929 HydrophobicContact CG-CD1 4.35Å; R1835-L1929 VanDerWaalsContact NH1-CG 3.31Å; T1838-L1929 HydrophobicContact CG2-CD1 4.38Å; N1839-L1929 HydrophobicContact CB-CD1 4.09Å; N1839-L1929 HydrophobicContact CB-CD2 3.86Å; N1839-L1929 WeakPolarHBondContact OD1-CD2 3.41Å; L1926-L1929 HydrophobicContact CD2-CD1 4.04Å; L1926-L1929 PolarHBondContact O-N 3.26Å; L1929-W1931 HydrophobicContact CB-CB 4.26Å; L1929-W1931 PolarHBondContact O-N 3.11Å; L1929-W1931 VanDerWaalsContact O-N 3.13Å; L1929-K1934 WeakPolarHBondContact O-CD 3.27Å; L1929-K1934 VanDerWaalsContact O-CE 3.26Å; L1929-K1934 WeakPolarHBondContact O-CE 3.38Å; L1929-K1934 PolarHBondContact O-NZ 2.82Å
1930Q86Confident84.7Confident114.8 Ų114.858 Ų5854%0.53633%0.332SS..THydrogen-bonded Turntrans44.241.9-173.4-66.8178.4-64.200112.1D1928 A1932 E1933 K1934D1928-Q1930 VanDerWaalsContact C-N 3.27Å; D1928-Q1930 PolarHBondContact O-N 3.14Å; Q1930-A1932 VanDerWaalsContact C-N 3.29Å; Q1930-A1932 PolarHBondContact O-N 3.2Å; Q1930-E1933 HydrophobicContact CB-CB 4.44Å; Q1930-E1933 PolarHBondContact NE2-OE2 3.2Å; Q1930-E1933 PolarHBondContact O-N 3.15Å; Q1930-E1933 VanDerWaalsContact O-N 3.1Å; Q1930-K1934 PolarHBondContact O-N 3.21Å; Q1930-K1934 VanDerWaalsContact O-N 3.12Å
1931W90Very high84.6Confident17.6 Ų17.659.8 Ų59.87%0.06734%0.343CS..Hα-helixtrans-60.5-38.4-166.163.1-91.1000112.8I1842 L1916 G1920 L1929 E1933 K1934 L1935 L2132 A2135 Y2136I1842-W1931 HydrophobicContact CD1-CB 3.43Å; I1842-W1931 VanDerWaalsContact CD1-CB 3.42Å; I1842-W1931 WeakPolarHBondContact CD1-O 3.23Å; L1916-W1931 HydrophobicContact CD1-CD2 3.84Å; L1916-W1931 HydrophobicContact CD1-CE3 3.55Å; L1916-W1931 HydrophobicContact CD1-CH2 4.1Å; L1916-W1931 HydrophobicContact CD1-CZ2 4.34Å; L1916-W1931 HydrophobicContact CD1-CZ3 3.69Å; G1920-W1931 WeakPolarHBondContact O-CZ2 3.19Å; L1929-W1931 HydrophobicContact CB-CB 4.26Å; L1929-W1931 PolarHBondContact O-N 3.11Å; L1929-W1931 VanDerWaalsContact O-N 3.13Å; W1931-E1933 VanDerWaalsContact C-N 3.32Å; W1931-E1933 PolarHBondContact O-N 3.23Å; W1931-K1934 PolarHBondContact O-N 3.12Å; W1931-L1935 HydrophobicContact CE3-CD1 3.73Å; W1931-L1935 HydrophobicContact CE3-CG 4.46Å; W1931-L1935 HydrophobicContact CZ3-CD1 3.84Å; W1931-L1935 WeakPolarHBondContact O-CG 3.41Å; W1931-L1935 PolarHBondContact O-N 2.94Å; W1931-L2132 HydrophobicContact CZ3-CD2 4.37Å; W1931-A2135 HydrophobicContact CH2-CB 3.51Å; W1931-A2135 VanDerWaalsContact CH2-CB 3.47Å; W1931-A2135 HydrophobicContact CZ2-CB 4.5Å; W1931-A2135 HydrophobicContact CZ3-CB 3.78Å; W1931-Y2136 HydrophobicContact CH2-CD2 4.08Å; W1931-Y2136 AromaticContact CH2-CE2 3.35Å; W1931-Y2136 HydrophobicContact CH2-CE2 3.35Å; W1931-Y2136 VanDerWaalsContact CH2-CE2 3.41Å; W1931-Y2136 AromaticContact CH2-CZ 3.76Å; W1931-Y2136 HydrophobicContact CZ2-CE2 4.11Å; W1931-Y2136 AromaticContact CZ3-CE2 3.95Å; W1931-Y2136 HydrophobicContact CZ3-CE2 4.01Å
1932A89.1Confident84.3Confident12.4 Ų12.454.9 Ų54.910%0.10232%0.319CS..Hα-helixtrans-65.2-36.3178.100000112.6Q1930 L1935 R1936 L2132 Y2136 W2147Q1930-A1932 VanDerWaalsContact C-N 3.29Å; Q1930-A1932 PolarHBondContact O-N 3.2Å; A1932-L1935 PolarHBondContact O-N 3.09Å; A1932-R1936 PolarHBondContact O-N 3.09Å; A1932-L2132 HydrophobicContact CB-CD2 4.37Å; A1932-Y2136 HydrophobicContact CB-CE2 4.34Å; A1932-W2147 HydrophobicContact CB-CZ3 4.38Å
1933E88.4Confident84.2Confident110.2 Ų110.256.9 Ų56.952%0.51533%0.333SS..Hα-helixtrans-71.8-37.2176.2-62.9179.1167.900111.5Q1930 W1931 R1936 A1937Q1930-E1933 HydrophobicContact CB-CB 4.44Å; Q1930-E1933 PolarHBondContact NE2-OE2 3.2Å; Q1930-E1933 PolarHBondContact O-N 3.15Å; Q1930-E1933 VanDerWaalsContact O-N 3.1Å; W1931-E1933 VanDerWaalsContact C-N 3.32Å; W1931-E1933 PolarHBondContact O-N 3.23Å; E1933-R1936 WeakPolarHBondContact O-CB 3.35Å; E1933-R1936 PolarHBondContact O-N 3.25Å; E1933-A1937 PolarHBondContact O-N 3.13Å
1934K89.3Confident84.3Confident71.4 Ų71.453.1 Ų53.131%0.3130%0.303SS..Hα-helixtrans-62.4-43.9170.8-70.3-179.6178.7173.80111.8I1842 L1929 Q1930 W1931 R1936 A1937 Y1938I1842-K1934 HydrophobicContact CD1-CB 3.67Å; I1842-K1934 HydrophobicContact CD1-CD 4.01Å; I1842-K1934 HydrophobicContact CD1-CG 4.49Å; I1842-K1934 HydrophobicContact CG1-CB 4.28Å; I1842-K1934 HydrophobicContact CG1-CD 4.4Å; I1842-K1934 HydrophobicContact CG2-CB 4.27Å; I1842-K1934 HydrophobicContact CG2-CD 3.78Å; L1929-K1934 WeakPolarHBondContact O-CD 3.27Å; L1929-K1934 VanDerWaalsContact O-CE 3.26Å; L1929-K1934 WeakPolarHBondContact O-CE 3.38Å; L1929-K1934 PolarHBondContact O-NZ 2.82Å; Q1930-K1934 PolarHBondContact O-N 3.21Å; Q1930-K1934 VanDerWaalsContact O-N 3.12Å; W1931-K1934 PolarHBondContact O-N 3.12Å; K1934-R1936 VanDerWaalsContact C-N 3.32Å; K1934-R1936 PolarHBondContact O-N 3.21Å; K1934-A1937 WeakPolarHBondContact O-CB 3.33Å; K1934-A1937 PolarHBondContact O-N 3.27Å; K1934-A1937 VanDerWaalsContact O-N 3.12Å; K1934-Y1938 HydrophobicContact CB-CE2 4.34Å; K1934-Y1938 VanDerWaalsContact O-CD2 3.27Å; K1934-Y1938 WeakPolarHBondContact O-CD2 3.34Å; K1934-Y1938 VanDerWaalsContact O-CG 3.3Å; K1934-Y1938 PolarHBondContact O-N 3.08Å
1935L91.3Very high83.6Confident0.2 Ų0.255.2 Ų55.20%0.00132%0.318CS..Hα-helixtrans-61.8-39.6174.5-69-176.5000112I1842 L1845 L1912 W1931 A1932 A1937 Y1938 M1939 A2128 A2131 L2132I1842-L1935 HydrophobicContact CD1-CD2 4.41Å; I1842-L1935 HydrophobicContact CD1-CG 4.3Å; L1845-L1935 HydrophobicContact CD2-CD2 3.47Å; L1845-L1935 VanDerWaalsContact CD2-CD2 3.46Å; L1912-L1935 HydrophobicContact CD2-CD1 4.25Å; L1912-L1935 HydrophobicContact CD2-CD2 3.81Å; L1912-L1935 HydrophobicContact CD2-CG 4.46Å; W1931-L1935 HydrophobicContact CE3-CD1 3.73Å; W1931-L1935 HydrophobicContact CE3-CG 4.46Å; W1931-L1935 HydrophobicContact CZ3-CD1 3.84Å; W1931-L1935 WeakPolarHBondContact O-CG 3.41Å; W1931-L1935 PolarHBondContact O-N 2.94Å; A1932-L1935 PolarHBondContact O-N 3.09Å; L1935-A1937 VanDerWaalsContact C-N 3.32Å; L1935-A1937 PolarHBondContact O-N 3.02Å; L1935-Y1938 HydrophobicContact CD2-CD2 4.04Å; L1935-Y1938 HydrophobicContact CD2-CE2 4.42Å; L1935-Y1938 PolarHBondContact O-N 3.15Å; L1935-M1939 WeakPolarHBondContact O-CB 3.41Å; L1935-M1939 PolarHBondContact O-N 3.21Å; L1935-A2128 HydrophobicContact CB-CB 4.4Å; L1935-A2128 HydrophobicContact CD2-CB 4.1Å; L1935-A2131 HydrophobicContact CD1-CB 3.81Å; L1935-A2131 HydrophobicContact CD2-CB 4.31Å; L1935-L2132 HydrophobicContact CB-CD1 4.13Å; L1935-L2132 HydrophobicContact CB-CD2 4Å; L1935-L2132 HydrophobicContact CB-CG 3.9Å; L1935-L2132 HydrophobicContact CD1-CB 4.21Å; L1935-L2132 HydrophobicContact CD1-CD2 3.86Å; L1935-L2132 HydrophobicContact CD1-CG 3.85Å
1936R90.5Very high81.9Confident113.6 Ų113.659.4 Ų59.443%0.42934%0.335SS..Hα-helixtrans-60.8-42.7171.9-173.9-176.3178.3-177-2.5111.6A1932 E1933 K1934 Y1938 M1939 T1940 W2147A1932-R1936 PolarHBondContact O-N 3.09Å; E1933-R1936 WeakPolarHBondContact O-CB 3.35Å; E1933-R1936 PolarHBondContact O-N 3.25Å; K1934-R1936 VanDerWaalsContact C-N 3.32Å; K1934-R1936 PolarHBondContact O-N 3.21Å; R1936-Y1938 VanDerWaalsContact C-N 3.33Å; R1936-Y1938 PolarHBondContact O-N 3.1Å; R1936-M1939 WeakPolarHBondContact O-CB 3.45Å; R1936-M1939 PolarHBondContact O-N 3.27Å; R1936-M1939 VanDerWaalsContact O-N 3.12Å; R1936-T1940 PolarHBondContact O-N 3.09Å; R1936-T1940 PolarHBondContact O-OG1 3.29Å; R1936-W2147 HydrophobicContact CB-CE3 4.04Å; R1936-W2147 HydrophobicContact CB-CZ3 4.12Å; R1936-W2147 HydrophobicContact CG-CD2 4.26Å; R1936-W2147 HydrophobicContact CG-CE3 4.13Å; R1936-W2147 HydrophobicContact CG-CG 4.46Å; R1936-W2147 HydrophobicContact CG-CZ3 4.5Å; R1936-W2147 VanDerWaalsContact NH1-NE1 3.18Å
1937A88.7Confident79.5Confident25.4 Ų25.465.4 Ų65.421%0.2137%0.367CS..Hα-helixtrans-63.5-37.2175.800000112.7E1933 K1934 L1935 M1939 S1941 G1942 Y2119E1933-A1937 PolarHBondContact O-N 3.13Å; K1934-A1937 WeakPolarHBondContact O-CB 3.33Å; K1934-A1937 PolarHBondContact O-N 3.27Å; K1934-A1937 VanDerWaalsContact O-N 3.12Å; L1935-A1937 VanDerWaalsContact C-N 3.32Å; L1935-A1937 PolarHBondContact O-N 3.02Å; A1937-M1939 VanDerWaalsContact C-N 3.28Å; A1937-M1939 PolarHBondContact O-N 3.04Å; A1937-S1941 CarbonylContact O-C 3.48Å; A1937-S1941 PolarHBondContact O-N 3.11Å; A1937-S1941 VanDerWaalsContact O-N 3.17Å; A1937-G1942 PolarHBondContact O-N 3.13Å; A1937-Y2119 HydrophobicContact CB-CD2 4.38Å; A1937-Y2119 HydrophobicContact CB-CE2 4.37Å
1938Y89.8Confident77Confident6.8 Ų6.866.2 Ų66.23%0.02737%0.372CS..Hα-helixtrans-68-27.7172.5-63.5-31.6000113.5I1842 L1845 G1846 K1934 L1935 R1936 Y2119 S2124 A2125I1842-Y1938 HydrophobicContact CG1-CE2 3.75Å; I1842-Y1938 HydrophobicContact CG2-CE2 4.1Å; I1842-Y1938 VanDerWaalsContact O-CE2 3.28Å; I1842-Y1938 WeakPolarHBondContact O-CE2 3.47Å; I1842-Y1938 PolarHBondContact O-OH 3.11Å; I1842-Y1938 VanDerWaalsContact O-OH 3.11Å; L1845-Y1938 HydrophobicContact CB-CD2 4.46Å; L1845-Y1938 HydrophobicContact CB-CE2 4.3Å; L1845-Y1938 HydrophobicContact CD2-CD2 3.69Å; L1845-Y1938 HydrophobicContact CD2-CE2 4.12Å; L1845-Y1938 HydrophobicContact CD2-CG 4.46Å; L1845-Y1938 HydrophobicContact CG-CD2 3.89Å; L1845-Y1938 HydrophobicContact CG-CE2 4.18Å; G1846-Y1938 VanDerWaalsContact CA-CE1 3.41Å; G1846-Y1938 VanDerWaalsContact CA-CZ 3.5Å; K1934-Y1938 HydrophobicContact CB-CE2 4.34Å; K1934-Y1938 VanDerWaalsContact O-CD2 3.27Å; K1934-Y1938 WeakPolarHBondContact O-CD2 3.34Å; K1934-Y1938 VanDerWaalsContact O-CG 3.3Å; K1934-Y1938 PolarHBondContact O-N 3.08Å; L1935-Y1938 HydrophobicContact CD2-CD2 4.04Å; L1935-Y1938 HydrophobicContact CD2-CE2 4.42Å; L1935-Y1938 PolarHBondContact O-N 3.15Å; R1936-Y1938 VanDerWaalsContact C-N 3.33Å; R1936-Y1938 PolarHBondContact O-N 3.1Å; Y1938-Y2119 AromaticContact CD1-CD1 3.86Å; Y1938-Y2119 HydrophobicContact CD1-CD1 3.86Å; Y1938-Y2119 AromaticContact CD1-CD2 3.76Å; Y1938-Y2119 HydrophobicContact CD1-CD2 3.76Å; Y1938-Y2119 HydrophobicContact CD1-CE1 4.22Å; Y1938-Y2119 AromaticContact CD1-CE2 4Å; Y1938-Y2119 HydrophobicContact CD1-CE2 4.12Å; Y1938-Y2119 AromaticContact CD1-CG 3.62Å; Y1938-Y2119 HydrophobicContact CD1-CG 3.62Å; Y1938-Y2119 AromaticContact CE1-CD1 3.63Å; Y1938-Y2119 HydrophobicContact CE1-CD1 3.63Å; Y1938-Y2119 AromaticContact CE1-CD2 3.91Å; Y1938-Y2119 HydrophobicContact CE1-CD2 3.94Å; Y1938-Y2119 AromaticContact CE1-CE1 3.55Å; Y1938-Y2119 HydrophobicContact CE1-CE1 3.55Å; Y1938-Y2119 VanDerWaalsContact CE1-CE1 3.46Å; Y1938-Y2119 AromaticContact CE1-CE2 3.86Å; Y1938-Y2119 HydrophobicContact CE1-CE2 3.86Å; Y1938-Y2119 AromaticContact CE1-CG 3.83Å; Y1938-Y2119 HydrophobicContact CE1-CG 3.83Å; Y1938-Y2119 AromaticContact CE1-CZ 3.66Å; Y1938-S2124 PolarHBondContact O-OG 3.11Å; Y1938-A2125 PolarHBondContact O-N 2.95Å
1939M89.2Confident74.2Confident16 Ų1666.4 Ų66.48%0.07939%0.387CS..Hα-helixtrans-78.4-38.2177.4-173.4-178.57200112.8L1935 R1936 A1937 M2129 W2147 L2148L1935-M1939 WeakPolarHBondContact O-CB 3.41Å; L1935-M1939 PolarHBondContact O-N 3.21Å; R1936-M1939 WeakPolarHBondContact O-CB 3.45Å; R1936-M1939 PolarHBondContact O-N 3.27Å; R1936-M1939 VanDerWaalsContact O-N 3.12Å; A1937-M1939 VanDerWaalsContact C-N 3.28Å; A1937-M1939 PolarHBondContact O-N 3.04Å; M1939-M2129 HydrophobicContact CG-CE 3.51Å; M1939-M2129 VanDerWaalsContact CG-CE 3.46Å; M1939-M2129 HydrophobicContact CG-CG 3.93Å; M1939-M2129 HydrophobicContact CG-SD 4.47Å; M1939-M2129 HydrophobicContact SD-CE 3.94Å; M1939-M2129 HydrophobicContact SD-CG 3.81Å; M1939-W2147 HydrophobicContact CE-CB 4.2Å; M1939-W2147 VanDerWaalsContact CE-O 3.22Å; M1939-W2147 WeakPolarHBondContact CE-O 3.4Å; M1939-L2148 HydrophobicContact SD-CD2 4.05Å
1940T83.7Confident71.6Confident85.4 Ų85.472 Ų7252%0.52442%0.422SS..THydrogen-bonded Turntrans-108.921.5-172.8690000114.3R1936 G1942R1936-T1940 PolarHBondContact O-N 3.09Å; R1936-T1940 PolarHBondContact O-OG1 3.29Å; T1940-G1942 VanDerWaalsContact C-N 3.29Å; T1940-G1942 PolarHBondContact O-N 3.13Å; T1940-G1942 VanDerWaalsContact O-N 3.16Å
1941S81.3Confident68.8Low49.4 Ų49.470.9 Ų70.935%0.34543%0.432SS..THydrogen-bonded Turntrans52.648.1-176.3-42.60000114.3A1937 C2118 Y2119 A2121A1937-S1941 CarbonylContact O-C 3.48Å; A1937-S1941 PolarHBondContact O-N 3.11Å; A1937-S1941 VanDerWaalsContact O-N 3.17Å; S1941-C2118 VanDerWaalsContact O-CB 3.26Å; S1941-C2118 WeakPolarHBondContact O-CB 3.4Å; S1941-Y2119 WeakPolarHBondContact CA-O 3.41Å; S1941-Y2119 WeakPolarHBondContact CB-O 3.24Å; S1941-Y2119 PolarHBondContact OG-O 3.08Å; S1941-A2121 WeakPolarHBondContact OG-CB 3.25Å
1942G78.5Confident65.7Low9.4 Ų9.478.8 Ų78.810%0.09747%0.47CS..PPolyproline II helixtrans-63.3158.917700000113.4A1937 T1940 C2118 Y2119A1937-G1942 PolarHBondContact O-N 3.13Å; T1940-G1942 VanDerWaalsContact C-N 3.29Å; T1940-G1942 PolarHBondContact O-N 3.13Å; T1940-G1942 VanDerWaalsContact O-N 3.16Å; G1942-C2118 CarbonylContact O-C 3.58Å; G1942-C2118 VanDerWaalsContact O-CA 3.28Å; G1942-C2118 WeakPolarHBondContact O-CA 3.31Å; G1942-C2118 WeakPolarHBondContact O-CB 3.38Å; G1942-Y2119 VanDerWaalsContact O-CD2 3.26Å; G1942-Y2119 WeakPolarHBondContact O-CD2 3.41Å; G1942-Y2119 PolarHBondContact O-N 3.17Å; G1942-Y2119 VanDerWaalsContact O-N 3.13Å
1943P78Confident62.8Low111.4 Ų111.485.2 Ų85.272%0.72350%0.502SS*.BIsolated β-bridgetrans-65.2143.2175.927.9-34.3000111.5S1945 Y2119P1943-S1945 PolarHBondContact O-N 3.29Å; P1943-Y2119 WeakPolarHBondContact O-CE2 3.44Å
1944K69.1Low59.9Low57 Ų5788.4 Ų88.425%0.24852%0.517CS..PPolyproline II helixtrans-66.5124.5172.6-71.5168.6174.21650109.3T1946 D2115 L2116 H2117 C2118 Y2119K1944-T1946 PolarHBondContact O-N 3.11Å; K1944-T1946 VanDerWaalsContact O-N 3.13Å; K1944-D2115 IonicContact NZ-OD2 3.09Å; K1944-D2115 PolarHBondContact NZ-OD2 3.22Å; K1944-L2116 PolarHBondContact NZ-O 3.15Å; K1944-H2117 WeakPolarHBondContact CB-O 3.44Å; K1944-H2117 WeakPolarHBondContact CG-O 3.44Å; K1944-H2117 PolarHBondContact N-O 3.21Å; K1944-C2118 WeakPolarHBondContact CE-O 3.43Å; K1944-C2118 PolarHBondContact NZ-O 3.09Å; K1944-Y2119 HydrophobicContact CB-CE1 4.45Å; K1944-Y2119 HydrophobicContact CD-CE1 4.48Å; K1944-Y2119 HydrophobicContact CG-CD1 3.91Å; K1944-Y2119 HydrophobicContact CG-CE1 3.65Å; K1944-Y2119 HydrophobicContact CG-CE2 4.33Å; K1944-Y2119 HydrophobicContact CG-CG 4.37Å
1945S59.7Low56.9Low89 Ų8992.5 Ų92.562%0.62254%0.538SS*.  trans-73.2110.2-179.4-177.10000110.7P1943 N1947P1943-S1945 PolarHBondContact O-N 3.29Å; S1945-N1947 PolarHBondContact O-N 3.16Å; S1945-N1947 VanDerWaalsContact O-N 3.11Å; S1945-N1947 PolarHBondContact OG-ND2 3.3Å
1946T43.3Very low53.8Low131.4 Ų131.4102.4 Ų102.481%0.80658%0.576SS**  trans-80.150.8179.1520000112.4K1944K1944-T1946 PolarHBondContact O-N 3.11Å; K1944-T1946 VanDerWaalsContact O-N 3.13Å
1947N33.8Very low50.7Low136.2 Ų136.2102.9 Ų102.973%0.72859%0.592SS**  trans-118.680.8-178.1-79.4-27.3000112.9S1945S1945-N1947 PolarHBondContact O-N 3.16Å; S1945-N1947 VanDerWaalsContact O-N 3.11Å; S1945-N1947 PolarHBondContact OG-ND2 3.3Å
1948S28.7Very low47.8Very low126.6 Ų126.6108.5 Ų108.589%0.88562%0.617SS**SBendtrans165.951.4168.1-1490000114.3
1949A27.6Very low44.7Very low96.6 Ų96.6116 Ų11680%0.79865%0.652SS**  trans-135.448168.600000112.6
1950V27.7Very low41.6Very low132.2 Ų132.2124.5 Ų124.580%0.80169%0.689SS**  trans-139.2104.6162.7-176.60000110E1952V1950-E1952 HydrophobicContact CG1-CB 4.19Å; V1950-E1952 HydrophobicContact CG1-CG 3.79Å; V1950-E1952 PolarHBondContact O-N 3.42Å
1951A28Very low38.7Very low91.4 Ų91.4125.4 Ų125.476%0.75570%0.699SS**  trans-79.7116.7157.600000111.4N1953A1951-N1953 HydrophobicContact CB-CB 4.18Å; A1951-N1953 PolarHBondContact O-N 3.18Å
1952E24.9Very low35.9Very low183 Ų183128.8 Ų128.886%0.85572%0.721SS**  trans-67.4108.6168.7-74.6175.9145.300111.2V1950V1950-E1952 HydrophobicContact CG1-CB 4.19Å; V1950-E1952 HydrophobicContact CG1-CG 3.79Å; V1950-E1952 PolarHBondContact O-N 3.42Å
1953N27.3Very low33.3Very low147.4 Ų147.4135.1 Ų135.179%0.78875%0.752SS**  trans-163.688.1151.5-94.9-38.7000112.3A1951 Q1955A1951-N1953 HydrophobicContact CB-CB 4.18Å; A1951-N1953 PolarHBondContact O-N 3.18Å; N1953-Q1955 PolarHBondContact O-N 2.98Å
1954Q27.1Very low30.8Very low175.6 Ų175.6137.1 Ų137.182%0.82176%0.756SS**  trans-99.3114.3157.9-66.6177.411.400111.5
1955Q26.2Very low28.7Very low159.4 Ų159.4142.3 Ų142.375%0.74578%0.781SS**  trans-138.4121.2155.8-88167.2-5.400111.5N1953 T1957N1953-Q1955 PolarHBondContact O-N 2.98Å; Q1955-T1957 PolarHBondContact O-N 3.11Å
1956Y26.7Very low27.1Very low208.2 Ų208.2144.6 Ų144.682%0.81678%0.782SS**  trans-120.1123.6144.7-65.7-82.5000112.8
1957T25.6Very low26.2Very low124 Ų124148.3 Ų148.376%0.76178%0.781SS**  trans-108.5116.1132.6-45.90000112.2Q1955 H1959Q1955-T1957 PolarHBondContact O-N 3.11Å; T1957-H1959 PolarHBondContact O-N 3.36Å
1958I26.7Very low25.7Very low142 Ų142147.4 Ų147.473%0.72878%0.784SS**  trans41.4112.2145.8-59.1166.8000116.1F1960I1958-F1960 HydrophobicContact CG2-CD2 4.31Å; I1958-F1960 HydrophobicContact CG2-CE2 4.18Å; I1958-F1960 PolarHBondContact O-N 2.96Å
1959H25.1Very low25.6Very low163.6 Ų163.6148.8 Ų148.876%0.75778%0.781SS**  trans-3.1136.4147.6-95-105.5000116.1T1957T1957-H1959 PolarHBondContact O-N 3.36Å
1960F24.2Very low25.6Very low195.4 Ų195.4149.6 Ų149.686%0.85778%0.778SS**  trans-99.8136.7132.4-93.5-83.9000110.3I1958I1958-F1960 HydrophobicContact CG2-CD2 4.31Å; I1958-F1960 HydrophobicContact CG2-CE2 4.18Å; I1958-F1960 PolarHBondContact O-N 2.96Å
1961S22.6Very low25.5Very low104.6 Ų104.6149.4 Ų149.473%0.73177%0.771SS**  trans-127.5137.9154.3-56.20000110.8
1962C23Very low25.4Very low119.6 Ų119.6152.8 Ų152.881%0.80877%0.771SS**  trans-109.5130160.4-94.30000110.3
1963D23.6Very low25.5Very low143 Ų143152.1 Ų152.177%0.76577%0.768SS**  69.8126127.4-72.1-38.1000115.9
1964L26.1Very low25.5Very low152.4 Ų152.4151.1 Ų151.180%0.79877%0.766SS**  trans145.3126.1140.5-95116.5000113.2
1965H25.1Very low25.4Very low167.4 Ų167.4152.6 Ų152.678%0.77577%0.77SS**  142.1128.4114.7-108.8-11000111.4
1966E25.5Very low25.5Very low137.6 Ų137.6148.3 Ų148.364%0.64377%0.769SS**  150.1129.6108.4-106.9-170.5148.200111.9
1967R24.1Very low25.5Very low208 Ų208150.7 Ų150.779%0.78578%0.776SS**  65.9117.9126.3-68.5177.1-176.9174.34.3116.9
1968C24.9Very low25.6Very low117.8 Ų117.8148.3 Ų148.380%0.79678%0.776SS**  176.2125.481.4-107.50000113.7
1969L26.5Very low25.9Very low156.6 Ų156.6146.2 Ų146.282%0.8278%0.78SS**  trans-65.7149.7146.7-64.9171.7000110.6
1970P27.8Very low26.4Very low112 Ų112143.9 Ų143.973%0.72778%0.78SS**  -139.7156.57728.7-7.9000113.8
1971I24.7Very low26.6Very low128.6 Ų128.6145.2 Ų145.266%0.65978%0.779SS**  84.5118.989.9-77.9165.8000115
1972Q26Very low26.9Very low161.6 Ų161.6150.5 Ų150.576%0.75578%0.783SS**  trans79134.4142.4-77.3162.311.900118.4
1973H27.4Very low27.2Very low169.8 Ų169.8151.8 Ų151.879%0.78678%0.781SS**  -138.7130.478.4-86.2-78000110.6
1974V26.3Very low27.5Very low125.2 Ų125.2151.6 Ų151.676%0.75978%0.779SS**  156.3134.291.6171.70000112.3
1975K26.1Very low27.5Very low207.6 Ų207.6150.3 Ų150.390%0.90377%0.772SS**  trans-22.4129.9168.7-82.6163.9-179.7174.40116.3
1976G28.1Very low27.8Very low69.6 Ų69.6149.8 Ų149.872%0.71877%0.77SS**  trans129.9130.9134.700000115.9
1977R25.7Very low27.9Very low258 Ų258147.8 Ų147.897%0.97477%0.772SS**  100125.8106.1-104.9-174.6-173.3-141.93.1113.8
1978G28Very low28.1Very low73.6 Ų73.6148.9 Ų148.976%0.75978%0.776SS**  trans133.7114.7136.700000117
1979A32.3Very low28.4Very low97.2 Ų97.2150.8 Ų150.880%0.80378%0.777SS**  trans-16.1130.8146.300000115
1980P37Very low28.8Very low117.2 Ų117.2147.9 Ų147.976%0.76177%0.768SS**  -117.6145.1125.224.5-18.6000115.7
1981R28.8Very low28.8Very low221.2 Ų221.2150.2 Ų150.284%0.83577%0.768SS**  90.6134.3123.8-69.9179173.1178.6-1.3115.2
1982R29Very low29.1Very low216.2 Ų216.2151.6 Ų151.682%0.81677%0.772SS**  144.4141109.3-88177179.9-176.50.4110.1
1983L27.7Very low29.2Very low146.6 Ų146.6149.7 Ų149.777%0.76877%0.772SS**  140.4140.257.2-92.8171.2000110.9
1984I30.1Very low29.1Very low139.8 Ų139.8146.4 Ų146.472%0.71777%0.768SS**  trans118.5151.5150.5-75.5166.8000114.6
1985D27.3Very low29.4Very low123.8 Ų123.8146.7 Ų146.766%0.66277%0.769SS**  trans152.7153.3-177.7-97.2-30.9000112.6
1986H31.1Very low29.4Very low158.6 Ų158.6145.1 Ų145.173%0.73477%0.765SS**  trans94.6113.6142.6-71.8-33.3000117.3
1987S28Very low29.7Very low95.8 Ų95.8147.1 Ų147.167%0.6777%0.766SS**  79.613598.2730000117.3
1988R28.6Very low29.9Very low231 Ų231141.1 Ų141.187%0.87276%0.757SS**  165.6137.4123.6-82.1165.4-170.6-148.90.9112.9
1989L29.8Very low30Very low156.4 Ų156.4142.4 Ų142.482%0.81976%0.755SS**  106.8160.1123.1-97.5152.2000113.4
1990P34.1Very low30.1Very low95.8 Ų95.8143 Ų14362%0.62275%0.75SS**  -136.2-173.4-82.835.8-15.8000113.8
1991H29.5Very low29.7Very low160.2 Ų160.2145.2 Ų145.274%0.74275%0.75SS**  trans94.8127160.5-76.8-44.6000117.3
1992Q29.7Very low29.7Very low158.8 Ų158.8140.4 Ų140.474%0.74274%0.742SS**  111.4131.193.8-86.5178.54.800115
1993T28.2Very low29.6Very low121.8 Ų121.8136.3 Ų136.375%0.74774%0.736SS**  66.5138.9128.252.90000119.7
1994S26.8Very low29.6Very low101 Ų101136.7 Ų136.771%0.70674%0.738SS**  trans116.1137.3142.367.70000117
1995V30.9Very low29.5Very low130.6 Ų130.6134.3 Ų134.379%0.79273%0.733SS**  91.5130.4128.2174.80000115.9
1996E27.6Very low29.5Very low174 Ų174135.6 Ų135.681%0.81374%0.74SS**  trans-108.5164.5137.9-100.6-177.3-179.300115.3
1997P33.2Very low29.3Very low111.8 Ų111.8133.2 Ų133.273%0.72674%0.741SS**  trans-131.4170.6-164.637-19000115.5
1998V30.2Very low29.2Very low131.6 Ų131.6133.6 Ų133.680%0.79874%0.744SS**  trans138120.8157.9-169.90000115.3
1999S29.1Very low29.2Very low100.6 Ų100.6128.3 Ų128.370%0.70374%0.738SS**  trans-83.6178.5157.563.80000114.5
2000P34.6Very low29Very low109.2 Ų109.2132.1 Ų132.171%0.70974%0.741SS**  -129.9174.1-55.836.1-19.2000113.4
2001Q28.5Very low28.5Very low163.75 Ų163.75131 Ų13177%0.76575%0.747SS**  105.9129.5128.2-106175.928.400119.1
2002N29.1Very low28.3Very low121.5 Ų121.5128 Ų12865%0.6575%0.75SS**  trans104.1110.3135.7-70.3-12.9000119.4
2003N27.3Very low28.1Very low129.25 Ų129.25125 Ų12569%0.69175%0.747SS**  78.3126.799.3-73.6-5.9000122.1
2004L27.8Very low27.9Very low155 Ų155128.3 Ų128.381%0.81275%0.751SS**  trans74.6146.7139.5-60.5163.7000119.2
2005S28.1Very low27.8Very low89.25 Ų89.25128.5 Ų128.562%0.62475%0.752SS**  cis169.2152.3-1.744.30000112.8
2006D26.5Very low27.5Very low151.25 Ų151.25127.3 Ų127.381%0.80975%0.75SS**  trans83.2140.8139.3-62.6-16.4000121.4
2007S27.8Very low27.3Very low108.25 Ų108.25123.7 Ų123.776%0.75774%0.744SS**  trans-173.713316890.40000113.5
2008S26.3Very low26.9Very low104 Ų104123.9 Ų123.973%0.72774%0.743SS**  trans-161.4161.5160.963.60000111.4
2009T27.9Very low26.6Very low119.75 Ų119.75126.3 Ų126.374%0.73574%0.743SS**  cis-158.2158.213.324.90000109.8
2010R25.1Very low26.4Very low237 Ų237131.4 Ų131.489%0.89475%0.747SS**  trans47.1132.9148-85.7167.9170.6176.3-3.8113.2
2011G25Very low26Very low73.25 Ų73.25132 Ų13276%0.75575%0.749SS**  116.2119.495.400000114.4
2012A24.8Very low26Very low97.25 Ų97.25129.9 Ų129.980%0.80475%0.75SS**  trans74.3141.7154.400000112.5
2013S24.6Very low25.9Very low95 Ų95128.6 Ų128.666%0.66475%0.75SS**  cis173.2143.33040.90000111.3
2014F23.9Very low25.9Very low191.75 Ų191.75130.1 Ų130.184%0.84176%0.757SS**  trans52.2128.1162.8-61-65.8000116.8
2015S24.4Very low25.8Very low104.25 Ų104.25129.1 Ų129.173%0.72975%0.752SS**  138.4138.290.866.20000113.2
2016S25Very low25.8Very low106 Ų106131.5 Ų131.574%0.74176%0.757SS**  88.6131.7109.888.40000115.8
2017S24.3Very low25.8Very low98.5 Ų98.5131.8 Ų131.869%0.68975%0.753SS**  72.7137.9115.377.20000119.8
2018T25.2Very low25.8Very low116.25 Ų116.25130.9 Ų130.971%0.71375%0.747SS**  trans83.3125.5135.2-110000119.3
2019F24.4Very low25.7Very low182 Ų182132.1 Ų132.180%0.79875%0.745SS**  trans43.1143.5132.5-81.2-87.3000118
2020R24.2Very low25.7Very low206 Ų206137 Ų13778%0.77775%0.752SS**  124.2116.5127.4-82.2174.9-173.7-158.61.5117.7Q2280R2020-Q2280 PolarHBondContact NH1-O 3.4Å
2021T26.2Very low25.8Very low122.75 Ų122.75130.6 Ų130.675%0.75374%0.743SS**  trans34.9130.2135.256.60000120.2
2022P28Very low25.9Very low119.5 Ų119.5133.2 Ų133.278%0.77675%0.745SS**  -107.2171.2115.231.5-18.1000112.5
2023S26.7Very low25.9Very low93.5 Ų93.5136.7 Ų136.765%0.65475%0.745SS**  trans-166.1150.8146.5-59.40000112.7L2025S2023-L2025 PolarHBondContact O-N 3.33Å
2024L27.5Very low26.1Very low161 Ų161137.1 Ų137.184%0.84375%0.745SS**  trans-86.3140.4155.9-76.6164.6000112.7
2025L26.2Very low26.3Very low134.75 Ų134.75135.6 Ų135.671%0.70575%0.745SS**  trans77.4134135.1-69.3171.2000116.2S2023 H2027S2023-L2025 PolarHBondContact O-N 3.33Å; L2025-H2027 PolarHBondContact O-N 2.91Å
2026L27Very low26.5Very low140.5 Ų140.5137.2 Ų137.274%0.73675%0.75SS**  trans9.4136.1134.8-88.794.6000115.2R2114L2026-R2114 VanDerWaalsContact CD1-NH1 3.34Å
2027H26.9Very low26.7Very low156.75 Ų156.75138.6 Ų138.673%0.72675%0.749SS**  trans131.1128.3131-82.5-67.1000112L2025 D2029L2025-H2027 PolarHBondContact O-N 2.91Å; H2027-D2029 IonicContact ND1-OD2 2.68Å; H2027-D2029 PolarHBondContact ND1-OD2 2.99Å; H2027-D2029 PolarHBondContact O-N 2.87Å
2028S27.4Very low27.1Very low90 Ų90139.4 Ų139.463%0.62975%0.752SS**  -131.8140.459.258.20000111.2
2029D24.9Very low27.1Very low128.25 Ų128.25142.1 Ų142.169%0.68676%0.756SS**  -163.6136.894.9-68.9-32.8000110.7H2027 S2031H2027-D2029 IonicContact ND1-OD2 2.68Å; H2027-D2029 PolarHBondContact ND1-OD2 2.99Å; H2027-D2029 PolarHBondContact O-N 2.87Å; D2029-S2031 PolarHBondContact O-N 3.19Å
2030Y29Very low27.2Very low223.5 Ų223.5143.9 Ų143.988%0.87676%0.758SS**  trans81.2117.1143.5-80-81.1000113.2T2032Y2030-T2032 PolarHBondContact O-N 3.12Å
2031S26Very low27.4Very low102 Ų102143.1 Ų143.171%0.71376%0.76SS**  -109.4128.6113.2-0.20000112.1D2029 E2033D2029-S2031 PolarHBondContact O-N 3.19Å; S2031-E2033 PolarHBondContact O-N 3.29Å
2032T27Very low27.4Very low128 Ų128144.7 Ų144.779%0.78576%0.764SS**  trans-102.4125.2133.110.30000112.4Y2030Y2030-T2032 PolarHBondContact O-N 3.12Å
2033E25.9Very low27.3Very low171.25 Ų171.25144.3 Ų144.380%0.876%0.759SS**  100.3142.6117.8-79.9-77.1109.200113.2S2031 L2035S2031-E2033 PolarHBondContact O-N 3.29Å; E2033-L2035 PolarHBondContact O-N 3.44Å; E2033-L2035 VanDerWaalsContact O-N 3.13Å
2034P28.9Very low27.3Very low103.5 Ų103.5146.9 Ų146.967%0.67277%0.765SS**  trans-105.5165.8-150.232.4-22.1000113.3V2036P2034-V2036 PolarHBondContact O-N 3.26Å
2035L26.9Very low27.3Very low160 Ų160145.1 Ų145.184%0.83876%0.757SS**  trans15.9107.5156.9-117.589.3000115.2E2033 D2037E2033-L2035 PolarHBondContact O-N 3.44Å; E2033-L2035 VanDerWaalsContact O-N 3.13Å; L2035-D2037 PolarHBondContact O-N 3.28Å
2036V30.1Very low27.3Very low136.75 Ų136.75148.9 Ų148.983%0.82976%0.763SS**  trans-130.4134.6144.2168.20000108.8P2034P2034-V2036 PolarHBondContact O-N 3.26Å
2037D27.7Very low27.3Very low136.75 Ų136.75149.3 Ų149.373%0.73177%0.765SS**  trans-63.6150.2-176.8-67.7-59.9000114.8L2035 E2039L2035-D2037 PolarHBondContact O-N 3.28Å; D2037-E2039 PolarHBondContact O-N 2.87Å
2038P32.9Very low27.3Very low114.75 Ų114.75150.1 Ų150.175%0.74577%0.769SS**  trans-78.2178.3176.531.7-33.1000113.7R2040P2038-R2040 VanDerWaalsContact C-N 3.28Å; P2038-R2040 PolarHBondContact O-N 2.79Å
2039E26.4Very low27.3Very low172.75 Ų172.75152.3 Ų152.381%0.80777%0.774SS**  trans61.883179.4-61.7-160.5176.600116.4D2037 F2041D2037-E2039 PolarHBondContact O-N 2.87Å; E2039-F2041 VanDerWaalsContact C-N 3.28Å; E2039-F2041 PolarHBondContact O-N 3.32Å
2040R26.6Very low27.4Very low219.5 Ų219.5151 Ų15183%0.82877%0.774SS**  trans-160.1107.2157.9-96.1173.8-176.7-174.11.8114.9P2038P2038-R2040 VanDerWaalsContact C-N 3.28Å; P2038-R2040 PolarHBondContact O-N 2.79Å
2041F26.8Very low27.3Very low188.5 Ų188.5148.2 Ų148.283%0.82777%0.771SS**  trans11.673.1160.4-70.1-67000114.7E2039E2039-F2041 VanDerWaalsContact C-N 3.28Å; E2039-F2041 PolarHBondContact O-N 3.32Å
2042L26.5Very low27.4Very low158 Ų158149.5 Ų149.583%0.82777%0.77SS**  trans-67133135.9-77.6174.7000112.8
2043T25.6Very low27.5Very low111 Ų111150.5 Ų150.568%0.68177%0.769SS**  trans81.1108.5171.4640000116D2045T2043-D2045 PolarHBondContact O-N 2.82Å; T2043-D2045 VanDerWaalsContact O-N 3.1Å
2044N28.2Very low27.4Very low146.75 Ų146.75153.6 Ų153.679%0.78577%0.774SS**  trans108.1109.5142.2-81.96.7000114.9
2045D26.1Very low27.4Very low123.5 Ų123.5151.8 Ų151.866%0.6678%0.775SS**  trans-115.1121.4141.1-77.2-30.4000112.6T2043T2043-D2045 PolarHBondContact O-N 2.82Å; T2043-D2045 VanDerWaalsContact O-N 3.1Å
2046Y27.4Very low27.4Very low214.25 Ų214.25152.1 Ų152.184%0.8478%0.775SS**  trans-156.3101.1151.6-73.6-68.9000112.9
2047L26.9Very low27.1Very low149 Ų149150.2 Ų150.278%0.7877%0.768SS**  113.4108.6127.2-71.1175000113.6
2048H27.2Very low27.1Very low173.5 Ų173.5148.7 Ų148.780%0.80377%0.768SS**  trans-135.9141.8130.3-109.8-39.7000112
2049N27.2Very low26.9Very low137.5 Ų137.5148.3 Ų148.374%0.73577%0.768SS**  trans60.5137.2165.8-62.6-16.6000117.9
2050S26.4Very low26.9Very low99.5 Ų99.5144.7 Ų144.770%0.69676%0.762SS**  173.2139.550.663.50000110.1
2051M27.6Very low27Very low165 Ų165144.8 Ų144.881%0.81376%0.762SS**  86.9136.6112.3-95.1136.7172.900116.1
2052D26.6Very low27.1Very low128.75 Ų128.75144.1 Ų144.169%0.68976%0.762SS**  cis-144156.429.7-100.2-36.3000116.2
2053I30Very low27.3Very low149.5 Ų149.5141.7 Ų141.777%0.76776%0.756SS**  trans126.7111.2134.1-78.6153.7000114.2
2054R24.3Very low27.4Very low236.25 Ų236.25141.8 Ų141.889%0.89276%0.761SS**  trans43.1120141.3-154.9-177.8-87.8-167.60.7115.9
2055G27.3Very low27.5Very low67.25 Ų67.25139.9 Ų139.969%0.69376%0.759SS**  trans143.8107.4148.500000118.9
2056I27.7Very low27.6Very low164.75 Ų164.75144.3 Ų144.385%0.84577%0.766SS**  trans84.7128.4152.6-63.7169.3000115.1
2057S24.7Very low27.6Very low98 Ų98143.5 Ų143.569%0.68576%0.762SS**  trans128.9155161.366.40000116.9
2058S26.4Very low27.7Very low103.75 Ų103.75146.3 Ų146.373%0.72676%0.762SS**  87.8151116.371.90000116.7
2059S28.2Very low27.7Very low106.5 Ų106.5142.6 Ų142.675%0.74576%0.755SS**  137.5151.390.673.60000114.1
2060S28.1Very low27.8Very low97.75 Ų97.75140.8 Ų140.868%0.68475%0.754SS**  121.7148.280850000115.8
2061R27.9Very low28Very low221.75 Ų221.75140.9 Ų140.984%0.83776%0.755SS**  trans103.1124.8143.7-77.7167.9177.7177.3-1.7112.8
2062Q28Very low28.2Very low174.5 Ų174.5139.8 Ų139.882%0.81575%0.752SS**  90.414492.1-88.4-166.1-21.500115.8
2063P30.6Very low28.4Very low107.5 Ų107.5139.7 Ų139.770%0.69876%0.756SS**  -115.9167.2-124.938-26.7000114.1
2064S28.5Very low28.5Very low113 Ų113135.9 Ų135.979%0.7975%0.754SS**  trans83.5121.2152.350.30000117.4
2065S31Very low29.1Very low106.75 Ų106.75130.9 Ų130.975%0.74775%0.752SS**  -159.6132.7108.1-155.60000113.7
2066R27.2Very low29.3Very low214.5 Ų214.5131.9 Ų131.981%0.80975%0.754SS**  trans-2130.1153.3-91.5177.4179.6173.80.5113.9
2067R28.8Very low29.5Very low197.75 Ų197.75130.1 Ų130.175%0.74675%0.751SS**  143.1134.1108-106.4176.3-177.6-171.90.3114.4
2068R27Very low29.7Very low208.75 Ų208.75130.5 Ų130.579%0.78875%0.754SS**  47.4144.1128.9-108.1178.6-170.6173-2115.6
2069S28.5Very low30.1Very low94.75 Ų94.75130.8 Ų130.866%0.66375%0.753SS**  93.5132.2114.440.10000117.4
2070S30Very low30.2Very low100.75 Ų100.75131.5 Ų131.571%0.70575%0.753SS**  84.7133.7112.346.70000117.7
2071S30.6Very low30.2Very low102.25 Ų102.25134.1 Ų134.172%0.71576%0.758SS**  86.7141.9105.668.90000114.4
2072N31.4Very low30.3Very low140.25 Ų140.25128.9 Ų128.975%0.7575%0.751SS**  -167.4143.264.9-112.33.6000109.6
2073T30.9Very low30.3Very low127.25 Ų127.25127.8 Ų127.878%0.78175%0.751SS**  29.3123.7119.658.30000115.3
2074G31.6Very low30.3Very low70 Ų70126 Ų12672%0.72275%0.753SS**  cis141.1160.749.700000111.1
2075P37Very low30.2Very low131.5 Ų131.5129.6 Ų129.685%0.85475%0.754SS**  -110.3-174.9-82.439.6-29.7000114.4
2076A30.8Very low30.1Very low88.5 Ų88.5130.6 Ų130.673%0.73175%0.751SS**  trans141.6147.4141.900000115.4
2077T31.8Very low30.2Very low127.25 Ų127.25131.2 Ų131.278%0.78175%0.753SS**  cis-146.4127-2.531.90000113.6
2078S29.7Very low30.2Very low106 Ų106129 Ų12974%0.74176%0.755SS**  trans5.2153.5138.160.20000117.6
2079P35.2Very low30.4Very low108.75 Ų108.75124.7 Ų124.771%0.70675%0.754SS**  cis-141.9148.430.340.9-23.8000115.4
2080T28.5Very low30.5Very low121.25 Ų121.25125.1 Ų125.174%0.74476%0.757SS**  57.7126.892.955.70000116.7
2081L29.6Very low30.5Very low153 Ų153126.2 Ų126.280%0.80176%0.759SS**  trans151.3130.9144.2-82.3147.3000115.2
2082T29.3Very low30.4Very low111.75 Ų111.75128.8 Ų128.869%0.68676%0.763SS**  95.4126127.256.10000118.9
2083N28.7Very low30.4Very low151.75 Ų151.75126.9 Ų126.981%0.81176%0.761SS**  trans49.7128.7135.6-56.8-9.7000120.6
2084G30.7Very low30.2Very low71.25 Ų71.25127.6 Ų127.674%0.73576%0.76SS**  154.2138.485.800000112.6
2085F26.8Very low30Very low187.75 Ų187.75131.6 Ų131.682%0.82376%0.764SS**  trans3.6144.3172.8-75.3-85.1000116
2086N28.2Very low29.6Very low127.25 Ų127.25131.4 Ų131.468%0.6876%0.76SS**  92.3116.3129.3-82.8-17000118.4
2087R28.2Very low29.4Very low228 Ų228130.2 Ų130.286%0.8676%0.756SS**  trans145.8136.1135-94171.6-135-159.10.6116.2
2088I28.7Very low29.2Very low151.75 Ų151.75135.5 Ų135.578%0.77876%0.762SS**  trans-103.6149153.9-53.5152.8000111S2090I2088-S2090 PolarHBondContact O-N 3.33Å
2089P31.4Very low29.1Very low117.75 Ų117.75138.4 Ų138.477%0.76577%0.768SS**  trans-107.2157.4-150.525.6-10.8000113.1
2090S31.5Very low28.7Very low103 Ų103140.4 Ų140.472%0.7277%0.773SS**  trans-146.8116151.861.20000113.4I2088 I2092I2088-S2090 PolarHBondContact O-N 3.33Å; S2090-I2092 PolarHBondContact O-N 2.94Å
2091T29.4Very low28.7Very low123 Ų123144.1 Ų144.176%0.75578%0.782SS**  trans32.2100.7153.256.50000118.6
2092I30Very low28.4Very low157.5 Ų157.5142.2 Ų142.281%0.80878%0.78SS**  -165.5108.3113.8-84.7163.6000110S2090S2090-I2092 PolarHBondContact O-N 2.94Å
2093S30.8Very low28.2Very low99.75 Ų99.75141.7 Ų141.770%0.69878%0.781SS**  trans22.889.4166.4-66.50000119L2095 V2096S2093-L2095 VanDerWaalsContact C-N 3.33Å; S2093-L2095 PolarHBondContact O-N 3.41Å; S2093-V2096 PolarHBondContact O-N 3.24Å
2094D26.6Very low28.2Very low142 Ų142139.8 Ų139.876%0.75978%0.775SS**  -96.1121.798.5-75.3-44.7000111.4V2096 G2097D2094-V2096 PolarHBondContact O-N 2.84Å; D2094-G2097 PolarHBondContact O-N 2.72Å
2095L27.7Very low27.9Very low154 Ų154144.9 Ų144.981%0.80678%0.777SS**  trans-145.187167.2-122.494.3000113.5S2093S2093-L2095 VanDerWaalsContact C-N 3.33Å; S2093-L2095 PolarHBondContact O-N 3.41Å
2096V28.1Very low28.1Very low128.5 Ų128.5140 Ų14078%0.77976%0.763SS**  trans-99.9108.1153.3-179.40000111.2S2093 D2094S2093-V2096 PolarHBondContact O-N 3.24Å; D2094-V2096 PolarHBondContact O-N 2.84Å
2097G27.5Very low28.2Very low62.75 Ų62.75139.4 Ų139.465%0.64776%0.764SS**  trans-149.2110.5168.900000113.2D2094D2094-G2097 PolarHBondContact O-N 2.72Å
2098R26.6Very low28.6Very low239.5 Ų239.5136.7 Ų136.790%0.90475%0.753SS**  trans133.570.8178-76.5-179.7146.8175.8-2.3114.8
2099L27.7Very low29.3Very low166.25 Ų166.25134.3 Ų134.387%0.8774%0.737SS**  trans-144.154.9157.3-100.2169.7000110.2E2101L2099-E2101 VanDerWaalsContact C-N 3.34Å; L2099-E2101 PolarHBondContact O-N 3.09Å
2100D27.5Very low30.3Very low150 Ų150130.7 Ų130.780%0.80271%0.712SS**  trans-92.7103.2169.7-88.6-42.7000110.4C2102D2100-C2102 VanDerWaalsContact C-N 3.27Å; D2100-C2102 PolarHBondContact O-N 3.35Å
2101E27.6Very low31.5Very low200 Ų200132 Ų13294%0.93572%0.718SS**  trans-100.950.6173.5-96.9177.9158.800114.2L2099 S2103L2099-E2101 VanDerWaalsContact C-N 3.34Å; L2099-E2101 PolarHBondContact O-N 3.09Å; E2101-S2103 PolarHBondContact O-N 3.4Å
2102C24Very low32.9Very low111.75 Ų111.75131.8 Ų131.876%0.75571%0.709SS**  trans-134.778.9153.9-151.30000111.1D2100 T2104D2100-C2102 VanDerWaalsContact C-N 3.27Å; D2100-C2102 PolarHBondContact O-N 3.35Å; C2102-T2104 VanDerWaalsContact C-N 3.32Å; C2102-T2104 PolarHBondContact O-N 3.01Å
2103S25.1Very low34.5Very low101.25 Ų101.25126.9 Ų126.971%0.70868%0.683SS**  trans-69.282.8176-178.10000111.6E2101 K2105E2101-S2103 PolarHBondContact O-N 3.4Å; S2103-K2105 PolarHBondContact O-N 3.23Å; S2103-K2105 VanDerWaalsContact O-N 3.13Å
2104T27.3Very low36Very low111.75 Ų111.75130.8 Ų130.869%0.68668%0.683SS**  trans-79.495.9161.145.90000108.7C2102 T2106C2102-T2104 VanDerWaalsContact C-N 3.32Å; C2102-T2104 PolarHBondContact O-N 3.01Å; T2104-T2106 VanDerWaalsContact C-N 3.31Å; T2104-T2106 PolarHBondContact O-N 3.16Å
2105K25.7Very low37.7Very low179.75 Ų179.75125.4 Ų125.478%0.78265%0.654SS**  trans-65.586.2173.9-68.6-178.3178.91790110S2103 T2107S2103-K2105 PolarHBondContact O-N 3.23Å; S2103-K2105 VanDerWaalsContact O-N 3.13Å; K2105-T2107 VanDerWaalsContact C-N 3.29Å; K2105-T2107 PolarHBondContact O-N 3.32Å; K2105-T2107 PolarHBondContact O-OG1 3.13Å
2106T30.2Very low39.5Very low84.25 Ų84.25123.3 Ų123.352%0.51764%0.643SS.*  trans-69.992.2166.548.40000108.2T2104 W2108T2104-T2106 VanDerWaalsContact C-N 3.31Å; T2104-T2106 PolarHBondContact O-N 3.16Å; T2106-W2108 PolarHBondContact O-N 3.31Å; T2106-W2108 VanDerWaalsContact O-N 3.08Å; T2106-W2108 PolarHBondContact O-NE1 3.27Å; T2106-W2108 VanDerWaalsContact O-NE1 3.14Å; T2106-W2108 WeakPolarHBondContact OG1-CZ2 3.31Å; T2106-W2108 PolarHBondContact OG1-NE1 3.48Å
2107T31Very low41.6Very low114.75 Ų114.75125.1 Ų125.170%0.70464%0.642SS**  trans-75.8100.1177.1-47.30000107.5K2105 K2109K2105-T2107 VanDerWaalsContact C-N 3.29Å; K2105-T2107 PolarHBondContact O-N 3.32Å; K2105-T2107 PolarHBondContact O-OG1 3.13Å; T2107-K2109 VanDerWaalsContact C-N 3.35Å; T2107-K2109 WeakPolarHBondContact O-CG 3.4Å; T2107-K2109 PolarHBondContact O-N 3.24Å
2108W35.7Very low44.1Very low170.75 Ų170.75123.7 Ų123.765%0.64762%0.622SS**  trans-67.399.4-178.5-56.790.9000109.9T2106 N2110 R2114 D2115T2106-W2108 PolarHBondContact O-N 3.31Å; T2106-W2108 VanDerWaalsContact O-N 3.08Å; T2106-W2108 PolarHBondContact O-NE1 3.27Å; T2106-W2108 VanDerWaalsContact O-NE1 3.14Å; T2106-W2108 WeakPolarHBondContact OG1-CZ2 3.31Å; T2106-W2108 PolarHBondContact OG1-NE1 3.48Å; W2108-N2110 VanDerWaalsContact C-N 3.32Å; W2108-N2110 PolarHBondContact O-N 2.9Å; W2108-R2114 HydrophobicContact CE3-CG 4.49Å; W2108-D2115 HydrophobicContact CZ3-CB 4.16Å; W2108-D2115 VanDerWaalsContact CZ3-O 3.31Å; W2108-D2115 WeakPolarHBondContact CZ3-O 3.33Å
2109K44.8Very low46.6Very low101.75 Ų101.75114.3 Ų114.344%0.44259%0.587SS.*  trans-76-16.9-177-68.4-169.8176-170.80112.8S1850 S1855 D1856 T2107S1850-K2109 WeakPolarHBondContact O-CB 3.37Å; S1855-K2109 PolarHBondContact OG-NZ 2.85Å; D1856-K2109 IonicContact OD1-NZ 2.75Å; D1856-K2109 IonicContact OD2-NZ 2.92Å; D1856-K2109 PolarHBondContact OD2-NZ 3.16Å; D1856-K2109 VanDerWaalsContact OD2-NZ 3.13Å; T2107-K2109 VanDerWaalsContact C-N 3.35Å; T2107-K2109 WeakPolarHBondContact O-CG 3.4Å; T2107-K2109 PolarHBondContact O-N 3.24Å
2110N52.4Low49.3Very low43 Ų43109.7 Ų109.723%0.2356%0.563CS.*  trans-96.7124.9173.2-158-27.7000110.8L1849 W2108 Q2112L1849-N2110 VanDerWaalsContact O-CB 3.26Å; L1849-N2110 WeakPolarHBondContact O-CB 3.32Å; L1849-N2110 PolarHBondContact O-ND2 3.2Å; W2108-N2110 VanDerWaalsContact C-N 3.32Å; W2108-N2110 PolarHBondContact O-N 2.9Å; N2110-Q2112 VanDerWaalsContact C-N 3.34Å; N2110-Q2112 PolarHBondContact O-N 3.45Å; N2110-Q2112 PolarHBondContact OD1-N 3.12Å
2111P54.8Low52Low129.5 Ų129.5103.1 Ų103.184%0.84153%0.53SS*.SBendtrans-76.8-12.9-178.830-35.1000114.5
2112Q59.4Low54.7Low120 Ų12097.4 Ų97.456%0.56151%0.506SS*.SBendtrans-99.4-35.1-174.6-67.7-174.2-16.900114.3A1897 G1898 N2110A1897-Q2112 HydrophobicContact CB-CB 4.4Å; G1898-Q2112 VanDerWaalsContact N-OE1 3.11Å; N2110-Q2112 VanDerWaalsContact C-N 3.34Å; N2110-Q2112 PolarHBondContact O-N 3.45Å; N2110-Q2112 PolarHBondContact OD1-N 3.12Å
2113I63.8Low57.6Low53.75 Ų53.7593 Ų9328%0.27648%0.476SS..  trans-126.2128.3-175.6-55.5173.8000109.7L1849 A1897 D2115L1849-I2113 HydrophobicContact CB-CB 4.49Å; L1849-I2113 HydrophobicContact CB-CG2 4.43Å; L1849-I2113 HydrophobicContact CD1-CB 4.36Å; L1849-I2113 HydrophobicContact CD1-CD1 3.84Å; L1849-I2113 HydrophobicContact CD1-CG2 3.91Å; A1897-I2113 HydrophobicContact CB-CD1 4.03Å; I2113-D2115 PolarHBondContact O-N 3Å
2114R62.1Low60.6Low182 Ų18288.4 Ų88.469%0.68744%0.443SS*.  trans-95.897.7176.4-69.3-177.7177.4157.8-0.8110.3L2026 W2108 L2116 E2233L2026-R2114 VanDerWaalsContact CD1-NH1 3.34Å; W2108-R2114 HydrophobicContact CE3-CG 4.49Å; R2114-L2116 PolarHBondContact O-N 3.27Å; R2114-E2233 WeakPolarHBondContact CD-OE1 3.43Å; R2114-E2233 IonicContact CZ-OE1 3.5Å; R2114-E2233 IonicContact NE-OE1 2.68Å; R2114-E2233 VanDerWaalsContact NH1-CD 3.29Å; R2114-E2233 IonicContact NH1-OE1 3.08Å; R2114-E2233 PolarHBondContact NH1-OE1 3.27Å; R2114-E2233 IonicContact NH1-OE2 3.81Å; R2114-E2233 PolarHBondContact NH1-OE2 3.3Å; R2114-E2233 VanDerWaalsContact NH1-OE2 3.1Å
2115D63.4Low63.7Low28.5 Ų28.583.1 Ų83.115%0.15241%0.411CS..  trans-62.2126.6170.8-91.519.3000111.4S1848 L1849 S1850 K1944 W2108 I2113S1848-D2115 WeakPolarHBondContact CA-OD2 3.32Å; S1848-D2115 WeakPolarHBondContact CB-OD2 2.97Å; L1849-D2115 VanDerWaalsContact CB-OD1 3.32Å; L1849-D2115 WeakPolarHBondContact CB-OD1 3.41Å; L1849-D2115 WeakPolarHBondContact CG-OD1 3.42Å; L1849-D2115 PolarHBondContact N-OD2 3.33Å; L1849-D2115 VanDerWaalsContact N-OD2 3.14Å; S1850-D2115 WeakPolarHBondContact CB-OD2 3.36Å; S1850-D2115 PolarHBondContact N-OD2 3.44Å; S1850-D2115 PolarHBondContact OG-OD2 2.88Å; K1944-D2115 IonicContact NZ-OD2 3.09Å; K1944-D2115 PolarHBondContact NZ-OD2 3.22Å; W2108-D2115 HydrophobicContact CZ3-CB 4.16Å; W2108-D2115 VanDerWaalsContact CZ3-O 3.31Å; W2108-D2115 WeakPolarHBondContact CZ3-O 3.33Å; I2113-D2115 PolarHBondContact O-N 3Å
2116L65.7Low66.8Low109.25 Ų109.2575.1 Ų75.157%0.57238%0.377SS*.  trans-78.1170.4167.5-71.3128.1000111.1K1944 R2114 C2118K1944-L2116 PolarHBondContact NZ-O 3.15Å; R2114-L2116 PolarHBondContact O-N 3.27Å; L2116-C2118 VanDerWaalsContact C-N 3.26Å; L2116-C2118 VanDerWaalsContact CB-SG 3.58Å; L2116-C2118 PolarHBondContact O-N 3.15Å; L2116-C2118 VanDerWaalsContact O-O 3.1Å
2117H71.6Confident69.8Low167.25 Ų167.2571.1 Ų71.177%0.77435%0.353SS*.SBendtrans-70.5-8.7174.4-68-72.8000113.9K1944K1944-H2117 WeakPolarHBondContact CB-O 3.44Å; K1944-H2117 WeakPolarHBondContact CG-O 3.44Å; K1944-H2117 PolarHBondContact N-O 3.21Å
2118C78.6Confident72.8Confident33.25 Ų33.2565.7 Ų65.723%0.22532%0.319CS..BIsolated β-bridgetrans-95.2167.5169.153.80000112S1941 G1942 K1944 L2116S1941-C2118 VanDerWaalsContact O-CB 3.26Å; S1941-C2118 WeakPolarHBondContact O-CB 3.4Å; G1942-C2118 CarbonylContact O-C 3.58Å; G1942-C2118 VanDerWaalsContact O-CA 3.28Å; G1942-C2118 WeakPolarHBondContact O-CA 3.31Å; G1942-C2118 WeakPolarHBondContact O-CB 3.38Å; K1944-C2118 WeakPolarHBondContact CE-O 3.43Å; K1944-C2118 PolarHBondContact NZ-O 3.09Å; L2116-C2118 VanDerWaalsContact C-N 3.26Å; L2116-C2118 VanDerWaalsContact CB-SG 3.58Å; L2116-C2118 PolarHBondContact O-N 3.15Å; L2116-C2118 VanDerWaalsContact O-O 3.1Å
2119Y80.6Confident75.7Confident40.75 Ų40.7557.7 Ų57.716%0.1629%0.289CS..  trans-71.7144.1165.5-60.3-69.5000110.8A1937 Y1938 S1941 G1942 P1943 K1944 A2121A1937-Y2119 HydrophobicContact CB-CD2 4.38Å; A1937-Y2119 HydrophobicContact CB-CE2 4.37Å; Y1938-Y2119 AromaticContact CD1-CD1 3.86Å; Y1938-Y2119 HydrophobicContact CD1-CD1 3.86Å; Y1938-Y2119 AromaticContact CD1-CD2 3.76Å; Y1938-Y2119 HydrophobicContact CD1-CD2 3.76Å; Y1938-Y2119 HydrophobicContact CD1-CE1 4.22Å; Y1938-Y2119 AromaticContact CD1-CE2 4Å; Y1938-Y2119 HydrophobicContact CD1-CE2 4.12Å; Y1938-Y2119 AromaticContact CD1-CG 3.62Å; Y1938-Y2119 HydrophobicContact CD1-CG 3.62Å; Y1938-Y2119 AromaticContact CE1-CD1 3.63Å; Y1938-Y2119 HydrophobicContact CE1-CD1 3.63Å; Y1938-Y2119 AromaticContact CE1-CD2 3.91Å; Y1938-Y2119 HydrophobicContact CE1-CD2 3.94Å; Y1938-Y2119 AromaticContact CE1-CE1 3.55Å; Y1938-Y2119 HydrophobicContact CE1-CE1 3.55Å; Y1938-Y2119 VanDerWaalsContact CE1-CE1 3.46Å; Y1938-Y2119 AromaticContact CE1-CE2 3.86Å; Y1938-Y2119 HydrophobicContact CE1-CE2 3.86Å; Y1938-Y2119 AromaticContact CE1-CG 3.83Å; Y1938-Y2119 HydrophobicContact CE1-CG 3.83Å; Y1938-Y2119 AromaticContact CE1-CZ 3.66Å; S1941-Y2119 WeakPolarHBondContact CA-O 3.41Å; S1941-Y2119 WeakPolarHBondContact CB-O 3.24Å; S1941-Y2119 PolarHBondContact OG-O 3.08Å; G1942-Y2119 VanDerWaalsContact O-CD2 3.26Å; G1942-Y2119 WeakPolarHBondContact O-CD2 3.41Å; G1942-Y2119 PolarHBondContact O-N 3.17Å; G1942-Y2119 VanDerWaalsContact O-N 3.13Å; P1943-Y2119 WeakPolarHBondContact O-CE2 3.44Å; K1944-Y2119 HydrophobicContact CB-CE1 4.45Å; K1944-Y2119 HydrophobicContact CD-CE1 4.48Å; K1944-Y2119 HydrophobicContact CG-CD1 3.91Å; K1944-Y2119 HydrophobicContact CG-CE1 3.65Å; K1944-Y2119 HydrophobicContact CG-CE2 4.33Å; K1944-Y2119 HydrophobicContact CG-CG 4.37Å; Y2119-A2121 PolarHBondContact O-N 3.28Å; Y2119-A2121 VanDerWaalsContact O-N 3.08Å
2120N83.3Confident78.1Confident70.25 Ų70.2553.2 Ų53.238%0.37627%0.27SS..  trans-81.795.2177.8-175-3000110.4D2122 V2123 S2124N2120-D2122 VanDerWaalsContact C-N 3.27Å; N2120-D2122 PolarHBondContact O-N 3.26Å; N2120-D2122 WeakPolarHBondContact OD1-CB 3.48Å; N2120-D2122 PolarHBondContact OD1-N 3.3Å; N2120-D2122 VanDerWaalsContact OD1-N 3.15Å; N2120-V2123 HydrophobicContact CB-CG2 4.42Å; N2120-V2123 WeakPolarHBondContact ND2-CG2 3.43Å; N2120-V2123 PolarHBondContact O-N 3.31Å; N2120-V2123 VanDerWaalsContact O-N 3.12Å; N2120-S2124 PolarHBondContact O-N 3.24Å; N2120-S2124 PolarHBondContact O-OG 3.11Å; N2120-S2124 VanDerWaalsContact O-OG 3.11Å
2121A84.8Confident80.1Confident12.25 Ų12.2551.1 Ų51.110%0.10126%0.259CS..Hα-helixtrans-59.6-29.7-178.900000113.7S1941 Y2119 V2123 S2124 A2125S1941-A2121 WeakPolarHBondContact OG-CB 3.25Å; Y2119-A2121 PolarHBondContact O-N 3.28Å; Y2119-A2121 VanDerWaalsContact O-N 3.08Å; A2121-V2123 PolarHBondContact O-N 3Å; A2121-V2123 VanDerWaalsContact O-N 3.15Å; A2121-S2124 PolarHBondContact O-N 3.34Å; A2121-A2125 HydrophobicContact CB-CB 4.18Å; A2121-A2125 WeakPolarHBondContact O-CA 3.31Å; A2121-A2125 WeakPolarHBondContact O-CB 3.4Å; A2121-A2125 PolarHBondContact O-N 3.2Å
2122D83.4Confident82Confident79.25 Ų79.2545 Ų4542%0.42422%0.219SC..Hα-helixtrans-61.5-26.3177.9-70.7-46.3000112.6N2120 R2161N2120-D2122 VanDerWaalsContact C-N 3.27Å; N2120-D2122 PolarHBondContact O-N 3.26Å; N2120-D2122 WeakPolarHBondContact OD1-CB 3.48Å; N2120-D2122 PolarHBondContact OD1-N 3.3Å; N2120-D2122 VanDerWaalsContact OD1-N 3.15Å; D2122-R2161 PolarHBondContact O-NH1 3.1Å; D2122-R2161 IonicContact OD1-NH1 2.91Å; D2122-R2161 PolarHBondContact OD1-NH1 3.01Å
2123V85.7Confident83.7Confident20.75 Ų20.7539.3 Ų39.313%0.12619%0.192CC..Hα-helixtrans-95.2-48.8176.6179.60000111.1C1901 E1902 A1905 N2120 A2121C1901-V2123 HydrophobicContact CB-CG1 4.32Å; E1902-V2123 HydrophobicContact CG-CB 4.5Å; E1902-V2123 HydrophobicContact CG-CG1 4.33Å; E1902-V2123 HydrophobicContact CG-CG2 4.19Å; A1905-V2123 HydrophobicContact CB-CG1 3.72Å; A1905-V2123 WeakPolarHBondContact CB-O 3.37Å; N2120-V2123 HydrophobicContact CB-CG2 4.42Å; N2120-V2123 WeakPolarHBondContact ND2-CG2 3.43Å; N2120-V2123 PolarHBondContact O-N 3.31Å; N2120-V2123 VanDerWaalsContact O-N 3.12Å; A2121-V2123 PolarHBondContact O-N 3Å; A2121-V2123 VanDerWaalsContact O-N 3.15Å
2124S88.5Confident85.1Confident4.5 Ų4.537.1 Ų37.13%0.03118%0.181CC..Hα-helixtrans-88.3-26.5-169.762.10000115L1845 Y1938 N2120 A2121 G2127 A2128L1845-S2124 WeakPolarHBondContact O-CB 3.5Å; Y1938-S2124 PolarHBondContact O-OG 3.11Å; N2120-S2124 PolarHBondContact O-N 3.24Å; N2120-S2124 PolarHBondContact O-OG 3.11Å; N2120-S2124 VanDerWaalsContact O-OG 3.11Å; A2121-S2124 PolarHBondContact O-N 3.34Å; S2124-G2127 PolarHBondContact O-N 3.21Å; S2124-A2128 VanDerWaalsContact O-CB 3.3Å; S2124-A2128 WeakPolarHBondContact O-CB 3.31Å; S2124-A2128 PolarHBondContact O-N 3.25Å
2125A91.2Very high86.6Confident0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-63.4-44.4-174.400000114.8Y1938 A2121 G2127 A2128 M2129 L2164Y1938-A2125 PolarHBondContact O-N 2.95Å; A2121-A2125 HydrophobicContact CB-CB 4.18Å; A2121-A2125 WeakPolarHBondContact O-CA 3.31Å; A2121-A2125 WeakPolarHBondContact O-CB 3.4Å; A2121-A2125 PolarHBondContact O-N 3.2Å; A2125-G2127 VanDerWaalsContact C-N 3.32Å; A2125-G2127 PolarHBondContact O-N 3.06Å; A2125-A2128 PolarHBondContact O-N 3.14Å; A2125-A2128 VanDerWaalsContact O-N 3.16Å; A2125-M2129 HydrophobicContact CB-CE 4.29Å; A2125-M2129 WeakPolarHBondContact O-CB 3.39Å; A2125-M2129 VanDerWaalsContact O-CG 3.25Å; A2125-M2129 WeakPolarHBondContact O-CG 3.4Å; A2125-M2129 PolarHBondContact O-N 3.19Å; A2125-L2164 HydrophobicContact CB-CD1 4.39Å; A2125-L2164 HydrophobicContact CB-CD2 4.05Å
2126P92.7Very high88.1Confident12 Ų1227.3 Ų27.38%0.07814%0.142CC..Hα-helixtrans-63.3-39-179.913.6-18.4000112L1906 M2130 L2164 F2167 F2529L1906-P2126 HydrophobicContact CD1-CB 4.4Å; P2126-M2130 VanDerWaalsContact O-CG 3.31Å; P2126-M2130 WeakPolarHBondContact O-CG 3.41Å; P2126-M2130 PolarHBondContact O-N 3.21Å; P2126-L2164 HydrophobicContact CB-CD2 4.31Å; P2126-L2164 HydrophobicContact CG-CD2 4.03Å; P2126-F2167 HydrophobicContact CB-CD1 4.47Å; P2126-F2167 HydrophobicContact CB-CD2 3.94Å; P2126-F2167 HydrophobicContact CB-CE2 3.86Å; P2126-F2167 HydrophobicContact CB-CG 4.33Å; P2126-F2167 HydrophobicContact CB-CZ 4.27Å; P2126-F2167 HydrophobicContact CG-CE2 4.37Å; P2126-F2529 HydrophobicContact CB-CZ 4.43Å
2127G92.8Very high89.5Confident0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-64.2-43.9172.900000112.5G1909 S2124 A2125 A2131G1909-G2127 VanDerWaalsContact CA-O 3.32Å; G1909-G2127 WeakPolarHBondContact CA-O 3.28Å; S2124-G2127 PolarHBondContact O-N 3.21Å; A2125-G2127 VanDerWaalsContact C-N 3.32Å; A2125-G2127 PolarHBondContact O-N 3.06Å; G2127-A2131 VanDerWaalsContact O-CB 3.31Å; G2127-A2131 WeakPolarHBondContact O-CB 3.3Å; G2127-A2131 PolarHBondContact O-N 3.17Å
2128A94.4Very high90.4Very high0.25 Ų0.2515.9 Ų15.90%0.0029%0.093CC..Hα-helixtrans-67.3-41.9-179.900000113.5L1845 L1935 S2124 A2125 A2131 L2132L1845-A2128 HydrophobicContact CD2-CB 4.24Å; L1935-A2128 HydrophobicContact CB-CB 4.4Å; L1935-A2128 HydrophobicContact CD2-CB 4.1Å; S2124-A2128 VanDerWaalsContact O-CB 3.3Å; S2124-A2128 WeakPolarHBondContact O-CB 3.31Å; S2124-A2128 PolarHBondContact O-N 3.25Å; A2125-A2128 PolarHBondContact O-N 3.14Å; A2125-A2128 VanDerWaalsContact O-N 3.16Å; A2128-A2131 PolarHBondContact O-N 2.96Å; A2128-L2132 VanDerWaalsContact O-CB 3.26Å; A2128-L2132 WeakPolarHBondContact O-CB 3.39Å; A2128-L2132 WeakPolarHBondContact O-CG 3.44Å; A2128-L2132 PolarHBondContact O-N 3.09Å
2129M95.2Very high91Very high4.25 Ų4.2517.3 Ų17.32%0.02110%0.103CC..Hα-helixtrans-62.2-45.1176.9-71.1171.6178.800111.4M1939 A2125 L2132 G2133 L2164 F2167 Q2168 A2171M1939-M2129 HydrophobicContact CG-CE 3.51Å; M1939-M2129 VanDerWaalsContact CG-CE 3.46Å; M1939-M2129 HydrophobicContact CG-CG 3.93Å; M1939-M2129 HydrophobicContact CG-SD 4.47Å; M1939-M2129 HydrophobicContact SD-CE 3.94Å; M1939-M2129 HydrophobicContact SD-CG 3.81Å; A2125-M2129 HydrophobicContact CB-CE 4.29Å; A2125-M2129 WeakPolarHBondContact O-CB 3.39Å; A2125-M2129 VanDerWaalsContact O-CG 3.25Å; A2125-M2129 WeakPolarHBondContact O-CG 3.4Å; A2125-M2129 PolarHBondContact O-N 3.19Å; M2129-L2132 PolarHBondContact O-N 3.22Å; M2129-G2133 PolarHBondContact O-N 3.38Å; M2129-L2164 HydrophobicContact CE-CB 4.16Å; M2129-F2167 HydrophobicContact CB-CB 4.33Å; M2129-F2167 HydrophobicContact SD-CB 3.61Å; M2129-F2167 VanDerWaalsContact SD-CB 3.55Å; M2129-Q2168 HydrophobicContact CE-CB 3.97Å; M2129-Q2168 HydrophobicContact CE-CG 3.66Å; M2129-Q2168 VanDerWaalsContact CE-CG 3.45Å; M2129-Q2168 HydrophobicContact SD-CB 3.94Å; M2129-Q2168 HydrophobicContact SD-CG 3.84Å; M2129-A2171 HydrophobicContact CB-CB 4.41Å; M2129-A2171 WeakPolarHBondContact O-CB 3.42Å
2130M94.8Very high91.4Very high6 Ų617.5 Ų17.53%0.0312%0.117CC..Hα-helixtrans-67.6-40176.7-65.5-58.381.700112.1L1910 P2126 L2132 G2133 M2134 F2167 L2170 A2171 L2174 V2525 F2529L1910-M2130 HydrophobicContact CD2-CB 3.95Å; L1910-M2130 HydrophobicContact CD2-CE 4.22Å; L1910-M2130 HydrophobicContact CD2-CG 4.27Å; P2126-M2130 VanDerWaalsContact O-CG 3.31Å; P2126-M2130 WeakPolarHBondContact O-CG 3.41Å; P2126-M2130 PolarHBondContact O-N 3.21Å; M2130-L2132 VanDerWaalsContact C-N 3.32Å; M2130-L2132 PolarHBondContact O-N 3.27Å; M2130-G2133 PolarHBondContact O-N 3.02Å; M2130-M2134 WeakPolarHBondContact O-CB 3.36Å; M2130-M2134 VanDerWaalsContact O-CG 3.27Å; M2130-M2134 WeakPolarHBondContact O-CG 3.34Å; M2130-M2134 PolarHBondContact O-N 3.17Å; M2130-F2167 HydrophobicContact CE-CB 4Å; M2130-F2167 HydrophobicContact CE-CD1 3.91Å; M2130-F2167 HydrophobicContact CE-CG 4.4Å; M2130-F2167 WeakPolarHBondContact CE-O 3.41Å; M2130-F2167 HydrophobicContact CG-CD1 4.22Å; M2130-F2167 HydrophobicContact CG-CE1 4.44Å; M2130-F2167 HydrophobicContact SD-CD1 4.24Å; M2130-L2170 HydrophobicContact CE-CB 4.46Å; M2130-L2170 HydrophobicContact CE-CD2 4.04Å; M2130-L2170 HydrophobicContact SD-CD1 4.41Å; M2130-L2170 HydrophobicContact SD-CD2 3.89Å; M2130-L2170 HydrophobicContact SD-CG 4.46Å; M2130-A2171 HydrophobicContact CE-CB 4.09Å; M2130-L2174 HydrophobicContact CE-CD1 4.33Å; M2130-V2525 HydrophobicContact SD-CG1 3.8Å; M2130-F2529 HydrophobicContact CG-CE2 3.98Å; M2130-F2529 HydrophobicContact SD-CE2 4.37Å
2131A95.2Very high91.8Very high0 Ų015.6 Ų15.60%011%0.107CC..Hα-helixtrans-59.4-46175.200000111.9G1909 L1912 L1935 G2127 A2128 A2135G1909-A2131 WeakPolarHBondContact O-CB 3.2Å; L1912-A2131 HydrophobicContact CB-CB 4.4Å; L1912-A2131 HydrophobicContact CD2-CB 4.09Å; L1912-A2131 HydrophobicContact CG-CB 4.31Å; L1935-A2131 HydrophobicContact CD1-CB 3.81Å; L1935-A2131 HydrophobicContact CD2-CB 4.31Å; G2127-A2131 VanDerWaalsContact O-CB 3.31Å; G2127-A2131 WeakPolarHBondContact O-CB 3.3Å; G2127-A2131 PolarHBondContact O-N 3.17Å; A2128-A2131 PolarHBondContact O-N 2.96Å; A2131-A2135 VanDerWaalsContact O-CB 3.24Å; A2131-A2135 WeakPolarHBondContact O-CB 3.36Å; A2131-A2135 PolarHBondContact O-N 3.19Å
2132L94.6Very high92.2Very high0.5 Ų0.519.4 Ų19.40%0.00313%0.133CC..Hα-helixtrans-62.5-47.6175.4-94.3168.4000111.6W1931 A1932 L1935 A2128 M2129 M2130 M2134 A2135 Y2136 V2144 W2147 L2148 V2175W1931-L2132 HydrophobicContact CZ3-CD2 4.37Å; A1932-L2132 HydrophobicContact CB-CD2 4.37Å; L1935-L2132 HydrophobicContact CB-CD1 4.13Å; L1935-L2132 HydrophobicContact CB-CD2 4Å; L1935-L2132 HydrophobicContact CB-CG 3.9Å; L1935-L2132 HydrophobicContact CD1-CB 4.21Å; L1935-L2132 HydrophobicContact CD1-CD2 3.86Å; L1935-L2132 HydrophobicContact CD1-CG 3.85Å; A2128-L2132 VanDerWaalsContact O-CB 3.26Å; A2128-L2132 WeakPolarHBondContact O-CB 3.39Å; A2128-L2132 WeakPolarHBondContact O-CG 3.44Å; A2128-L2132 PolarHBondContact O-N 3.09Å; M2129-L2132 PolarHBondContact O-N 3.22Å; M2130-L2132 VanDerWaalsContact C-N 3.32Å; M2130-L2132 PolarHBondContact O-N 3.27Å; L2132-M2134 VanDerWaalsContact C-N 3.33Å; L2132-M2134 PolarHBondContact O-N 3.29Å; L2132-A2135 PolarHBondContact O-N 3.23Å; L2132-Y2136 HydrophobicContact CD2-CD2 4.36Å; L2132-Y2136 HydrophobicContact CD2-CE2 4.12Å; L2132-Y2136 HydrophobicContact CG-CD2 4.43Å; L2132-Y2136 WeakPolarHBondContact O-CD2 3.33Å; L2132-Y2136 PolarHBondContact O-N 3.12Å; L2132-Y2136 VanDerWaalsContact O-N 3.08Å; L2132-V2144 HydrophobicContact CD1-CG1 4.09Å; L2132-V2144 HydrophobicContact CD2-CG1 4.1Å; L2132-V2144 HydrophobicContact CG-CG1 3.72Å; L2132-W2147 HydrophobicContact CD1-CE3 4.14Å; L2132-L2148 HydrophobicContact CD2-CD1 3.63Å; L2132-L2148 HydrophobicContact CD2-CD2 4.02Å; L2132-L2148 HydrophobicContact CD2-CG 4.04Å; L2132-V2175 HydrophobicContact CD2-CG2 4.13Å
2133G94.3Very high92.6Very high0 Ų019 Ų190%013%0.133CC..Hα-helixtrans-60.4-39.517900000113.6M2129 M2130 L2137 L2174M2129-G2133 PolarHBondContact O-N 3.38Å; M2130-G2133 PolarHBondContact O-N 3.02Å; G2133-L2137 WeakPolarHBondContact O-CA 3.3Å; G2133-L2137 WeakPolarHBondContact O-CB 3.28Å; G2133-L2137 PolarHBondContact O-N 3.26Å; G2133-L2137 VanDerWaalsContact O-N 3.15Å; G2133-L2174 VanDerWaalsContact O-CB 3.29Å; G2133-L2174 WeakPolarHBondContact O-CB 3.38Å
2134M94.6Very high92.9Very high7.75 Ų7.7518 Ų184%0.03813%0.127CC..Hα-helixtrans-75.4-38.2176.8-68.1177.2127.900112.9L1910 G1913 L1914 L1917 Q1918 M2130 L2132 Y2136 L2137 A2522 V2525 I2526L1910-M2134 HydrophobicContact CD2-CE 4.08Å; L1910-M2134 HydrophobicContact CD2-SD 4.26Å; G1913-M2134 WeakPolarHBondContact O-CB 3.26Å; L1914-M2134 HydrophobicContact CD2-CE 3.79Å; L1914-M2134 HydrophobicContact CG-CE 3.88Å; L1917-M2134 HydrophobicContact CD1-CB 4.34Å; L1917-M2134 HydrophobicContact CD1-CE 4.18Å; Q1918-M2134 PolarHBondContact N-O 3.08Å; Q1918-M2134 VanDerWaalsContact N-O 3.17Å; M2130-M2134 WeakPolarHBondContact O-CB 3.36Å; M2130-M2134 VanDerWaalsContact O-CG 3.27Å; M2130-M2134 WeakPolarHBondContact O-CG 3.34Å; M2130-M2134 PolarHBondContact O-N 3.17Å; L2132-M2134 VanDerWaalsContact C-N 3.33Å; L2132-M2134 PolarHBondContact O-N 3.29Å; M2134-Y2136 VanDerWaalsContact C-N 3.34Å; M2134-Y2136 PolarHBondContact O-N 3.3Å; M2134-L2137 VanDerWaalsContact O-CB 3.25Å; M2134-L2137 WeakPolarHBondContact O-CB 3.41Å; M2134-L2137 PolarHBondContact O-N 3.09Å; M2134-A2522 HydrophobicContact CE-CB 4.13Å; M2134-A2522 HydrophobicContact CG-CB 4.47Å; M2134-A2522 HydrophobicContact SD-CB 4.26Å; M2134-V2525 HydrophobicContact CE-CB 3.83Å; M2134-V2525 HydrophobicContact CE-CG1 3.55Å; M2134-I2526 HydrophobicContact CE-CD1 4.14Å; M2134-I2526 HydrophobicContact CE-CG1 3.97Å
2135A94Very high93Very high0 Ų018.3 Ų18.30%013%0.129CC..Hα-helixtrans-68-37.8-179.300000112.5L1916 Q1918 R1919 G1920 W1931 A2131 L2132L1916-A2135 HydrophobicContact CB-CB 3.72Å; L1916-A2135 HydrophobicContact CD1-CB 4.36Å; L1916-A2135 VanDerWaalsContact O-CA 3.28Å; L1916-A2135 WeakPolarHBondContact O-CA 3.46Å; Q1918-A2135 CarbonylContact C-O 3.53Å; Q1918-A2135 WeakPolarHBondContact CA-O 3.28Å; Q1918-A2135 PolarHBondContact N-O 3.29Å; R1919-A2135 PolarHBondContact N-O 3.03Å; G1920-A2135 PolarHBondContact N-O 3.11Å; W1931-A2135 HydrophobicContact CH2-CB 3.51Å; W1931-A2135 VanDerWaalsContact CH2-CB 3.47Å; W1931-A2135 HydrophobicContact CZ2-CB 4.5Å; W1931-A2135 HydrophobicContact CZ3-CB 3.78Å; A2131-A2135 VanDerWaalsContact O-CB 3.24Å; A2131-A2135 WeakPolarHBondContact O-CB 3.36Å; A2131-A2135 PolarHBondContact O-N 3.19Å; L2132-A2135 PolarHBondContact O-N 3.23Å
2136Y94.4Very high93.1Very high6 Ų621.5 Ų21.52%0.02415%0.151CC..THydrogen-bonded Turntrans-99.217.7178.1-70.2-81.9000113.4G1920 D1921 W1931 A1932 L2132 M2134 G2138 S2139 N2141 V2144 V2175G1920-Y2136 VanDerWaalsContact CA-CE1 3.49Å; D1921-Y2136 WeakPolarHBondContact OD1-CE1 3.4Å; D1921-Y2136 PolarHBondContact OD1-OH 3.09Å; D1921-Y2136 VanDerWaalsContact OD1-OH 3.09Å; D1921-Y2136 WeakPolarHBondContact OD2-CE1 3.48Å; W1931-Y2136 HydrophobicContact CH2-CD2 4.08Å; W1931-Y2136 AromaticContact CH2-CE2 3.35Å; W1931-Y2136 HydrophobicContact CH2-CE2 3.35Å; W1931-Y2136 VanDerWaalsContact CH2-CE2 3.41Å; W1931-Y2136 AromaticContact CH2-CZ 3.76Å; W1931-Y2136 HydrophobicContact CZ2-CE2 4.11Å; W1931-Y2136 AromaticContact CZ3-CE2 3.95Å; W1931-Y2136 HydrophobicContact CZ3-CE2 4.01Å; A1932-Y2136 HydrophobicContact CB-CE2 4.34Å; L2132-Y2136 HydrophobicContact CD2-CD2 4.36Å; L2132-Y2136 HydrophobicContact CD2-CE2 4.12Å; L2132-Y2136 HydrophobicContact CG-CD2 4.43Å; L2132-Y2136 WeakPolarHBondContact O-CD2 3.33Å; L2132-Y2136 PolarHBondContact O-N 3.12Å; L2132-Y2136 VanDerWaalsContact O-N 3.08Å; M2134-Y2136 VanDerWaalsContact C-N 3.34Å; M2134-Y2136 PolarHBondContact O-N 3.3Å; Y2136-G2138 PolarHBondContact O-N 3.23Å; Y2136-G2138 VanDerWaalsContact O-N 3.09Å; Y2136-S2139 WeakPolarHBondContact CB-OG 3.31Å; Y2136-S2139 VanDerWaalsContact O-CB 3.28Å; Y2136-S2139 WeakPolarHBondContact O-CB 3.38Å; Y2136-S2139 PolarHBondContact O-N 3.27Å; Y2136-S2139 PolarHBondContact O-OG 3.2Å; Y2136-N2141 HydrophobicContact CD1-CB 4.22Å; Y2136-N2141 HydrophobicContact CE1-CB 4.44Å; Y2136-V2144 HydrophobicContact CD1-CG2 4.11Å; Y2136-V2144 HydrophobicContact CD2-CB 4.38Å; Y2136-V2144 HydrophobicContact CD2-CG1 3.92Å; Y2136-V2144 HydrophobicContact CD2-CG2 3.92Å; Y2136-V2144 HydrophobicContact CE1-CG2 3.9Å; Y2136-V2144 HydrophobicContact CE2-CG1 4.35Å; Y2136-V2144 HydrophobicContact CE2-CG2 3.69Å; Y2136-V2144 HydrophobicContact CG-CB 4.49Å; Y2136-V2144 HydrophobicContact CG-CG1 4.27Å; Y2136-V2144 HydrophobicContact CG-CG2 4.12Å; Y2136-V2175 WeakPolarHBondContact O-CA 3.27Å
2137L94.3Very high93Very high13.75 Ų13.7523.3 Ų23.37%0.07216%0.157CC..THydrogen-bonded Turntrans-54.7112.8-175.8179.282000112.3L1917 Q1918 G2133 M2134 S2139 L2174 W2177 P2518 A2521L1917-L2137 HydrophobicContact CD1-CD1 4.42Å; L1917-L2137 HydrophobicContact CD1-CD2 3.93Å; Q1918-L2137 HydrophobicContact CG-CB 4.1Å; Q1918-L2137 HydrophobicContact CG-CD2 4.25Å; Q1918-L2137 HydrophobicContact CG-CG 4.29Å; Q1918-L2137 PolarHBondContact NE2-O 2.92Å; G2133-L2137 WeakPolarHBondContact O-CA 3.3Å; G2133-L2137 WeakPolarHBondContact O-CB 3.28Å; G2133-L2137 PolarHBondContact O-N 3.26Å; G2133-L2137 VanDerWaalsContact O-N 3.15Å; M2134-L2137 VanDerWaalsContact O-CB 3.25Å; M2134-L2137 WeakPolarHBondContact O-CB 3.41Å; M2134-L2137 PolarHBondContact O-N 3.09Å; L2137-S2139 VanDerWaalsContact C-N 3.29Å; L2137-S2139 PolarHBondContact O-N 3.45Å; L2137-L2174 WeakPolarHBondContact CA-O 3.38Å; L2137-L2174 HydrophobicContact CD1-CB 3.97Å; L2137-L2174 HydrophobicContact CD1-CD2 3.93Å; L2137-L2174 HydrophobicContact CD1-CG 4.46Å; L2137-L2174 WeakPolarHBondContact CD1-O 3.28Å; L2137-L2174 HydrophobicContact CG-CB 4.49Å; L2137-W2177 HydrophobicContact CD1-CB 4.5Å; L2137-W2177 HydrophobicContact CD1-CD2 4.3Å; L2137-W2177 HydrophobicContact CD1-CE3 4.09Å; L2137-W2177 HydrophobicContact CD1-CG 4.42Å; L2137-W2177 HydrophobicContact CD1-CZ3 4.25Å; L2137-P2518 HydrophobicContact CD2-CB 3.61Å; L2137-P2518 VanDerWaalsContact CD2-CB 3.42Å; L2137-P2518 HydrophobicContact CG-CB 4.38Å; L2137-A2521 HydrophobicContact CD1-CB 4.24Å
2138G90.9Very high93Very high22.75 Ų22.7523.3 Ų23.324%0.23516%0.157CC..THydrogen-bonded Turntrans7113.6-178.900000115.9Y2136 L2174 V2175Y2136-G2138 PolarHBondContact O-N 3.23Å; Y2136-G2138 VanDerWaalsContact O-N 3.09Å; G2138-L2174 PolarHBondContact N-O 3.22Å; G2138-V2175 PolarHBondContact N-O 3.47Å
2139S90.9Very high92.8Very high63 Ų6327.1 Ų27.144%0.44118%0.176SC..  trans-78.4-23.7177.977.70000113.7Y2136 L2137 N2141 V2175Y2136-S2139 WeakPolarHBondContact CB-OG 3.31Å; Y2136-S2139 VanDerWaalsContact O-CB 3.28Å; Y2136-S2139 WeakPolarHBondContact O-CB 3.38Å; Y2136-S2139 PolarHBondContact O-N 3.27Å; Y2136-S2139 PolarHBondContact O-OG 3.2Å; L2137-S2139 VanDerWaalsContact C-N 3.29Å; L2137-S2139 PolarHBondContact O-N 3.45Å; S2139-N2141 PolarHBondContact O-N 3.27Å; S2139-N2141 WeakPolarHBondContact OG-CB 3.43Å; S2139-N2141 PolarHBondContact OG-N 3.22Å; S2139-V2175 PolarHBondContact N-O 3.13Å
2140G89.9Confident92.4Very high44.75 Ų44.7527.5 Ų27.546%0.46118%0.179SC..  trans6125.6-175.300000114.5S2142 V2175G2140-S2142 PolarHBondContact O-N 3.43Å; G2140-S2142 VanDerWaalsContact O-N 3.13Å; G2140-V2175 PolarHBondContact N-O 3.1Å
2141N91.8Very high92Very high30.75 Ų30.7528.4 Ų28.416%0.16419%0.185CC..  trans-69.2111.9-177.2-174.9-15.4000110.9D1921 Y2136 S2139 T2143 V2144 S2145D1921-N2141 PolarHBondContact OD2-ND2 3.29Å; D1921-N2141 VanDerWaalsContact OD2-ND2 3.13Å; Y2136-N2141 HydrophobicContact CD1-CB 4.22Å; Y2136-N2141 HydrophobicContact CE1-CB 4.44Å; S2139-N2141 PolarHBondContact O-N 3.27Å; S2139-N2141 WeakPolarHBondContact OG-CB 3.43Å; S2139-N2141 PolarHBondContact OG-N 3.22Å; N2141-T2143 VanDerWaalsContact C-N 3.29Å; N2141-T2143 PolarHBondContact ND2-OG1 3.01Å; N2141-T2143 PolarHBondContact O-N 3.17Å; N2141-T2143 WeakPolarHBondContact OD1-CB 3.25Å; N2141-T2143 PolarHBondContact OD1-N 3.34Å; N2141-T2143 PolarHBondContact OD1-OG1 3.28Å; N2141-V2144 HydrophobicContact CB-CB 4.36Å; N2141-V2144 HydrophobicContact CB-CG2 4.42Å; N2141-V2144 PolarHBondContact O-N 3.29Å; N2141-S2145 VanDerWaalsContact O-CB 3.23Å; N2141-S2145 WeakPolarHBondContact O-CB 3.4Å; N2141-S2145 PolarHBondContact O-N 3.24Å; N2141-S2145 PolarHBondContact O-OG 2.93Å
2142S91.6Very high91.2Very high91 Ų9131.7 Ų31.764%0.63621%0.209SC*.Hα-helixtrans-59.3-31.3-178.459.50000114.1G2140 S2146G2140-S2142 PolarHBondContact O-N 3.43Å; G2140-S2142 VanDerWaalsContact O-N 3.13Å; S2142-S2146 WeakPolarHBondContact O-CB 3.37Å; S2142-S2146 PolarHBondContact O-N 3.02Å
2143T92.3Very high90.6Very high71.5 Ų71.533.8 Ų33.844%0.43922%0.223SC..Hα-helixtrans-69.1-50.4-179.463.10000110.9N2141 S2146 W2147N2141-T2143 VanDerWaalsContact C-N 3.29Å; N2141-T2143 PolarHBondContact ND2-OG1 3.01Å; N2141-T2143 PolarHBondContact O-N 3.17Å; N2141-T2143 WeakPolarHBondContact OD1-CB 3.25Å; N2141-T2143 PolarHBondContact OD1-N 3.34Å; N2141-T2143 PolarHBondContact OD1-OG1 3.28Å; T2143-S2146 WeakPolarHBondContact O-CB 3.44Å; T2143-S2146 PolarHBondContact O-N 3.23Å; T2143-S2146 VanDerWaalsContact O-N 3.14Å; T2143-S2146 PolarHBondContact O-OG 3.29Å; T2143-W2147 VanDerWaalsContact O-CD1 3.26Å; T2143-W2147 PolarHBondContact O-N 3.1Å; T2143-W2147 PolarHBondContact O-NE1 3.3Å
2144V91.6Very high89.9Confident0.25 Ų0.2535.4 Ų35.40%0.00223%0.232CC..Hα-helixtrans-66.3-41.7177.2-177.90000110.8L2132 Y2136 N2141 S2146 W2147 L2148 V2175L2132-V2144 HydrophobicContact CD1-CG1 4.09Å; L2132-V2144 HydrophobicContact CD2-CG1 4.1Å; L2132-V2144 HydrophobicContact CG-CG1 3.72Å; Y2136-V2144 HydrophobicContact CD1-CG2 4.11Å; Y2136-V2144 HydrophobicContact CD2-CB 4.38Å; Y2136-V2144 HydrophobicContact CD2-CG1 3.92Å; Y2136-V2144 HydrophobicContact CD2-CG2 3.92Å; Y2136-V2144 HydrophobicContact CE1-CG2 3.9Å; Y2136-V2144 HydrophobicContact CE2-CG1 4.35Å; Y2136-V2144 HydrophobicContact CE2-CG2 3.69Å; Y2136-V2144 HydrophobicContact CG-CB 4.49Å; Y2136-V2144 HydrophobicContact CG-CG1 4.27Å; Y2136-V2144 HydrophobicContact CG-CG2 4.12Å; N2141-V2144 HydrophobicContact CB-CB 4.36Å; N2141-V2144 HydrophobicContact CB-CG2 4.42Å; N2141-V2144 PolarHBondContact O-N 3.29Å; V2144-S2146 VanDerWaalsContact C-N 3.26Å; V2144-S2146 PolarHBondContact O-N 3.19Å; V2144-W2147 HydrophobicContact CG2-CZ3 4.31Å; V2144-W2147 WeakPolarHBondContact O-CB 3.34Å; V2144-W2147 PolarHBondContact O-N 3.05Å; V2144-L2148 HydrophobicContact CG1-CD1 4.29Å; V2144-L2148 PolarHBondContact O-N 3.16Å; V2144-V2175 HydrophobicContact CG1-CG2 4.25Å
2145S91.8Very high89.2Confident10.75 Ų10.7543.5 Ų43.58%0.07526%0.262CS..Hα-helixtrans-56.1-39173.3-123.80000112.2N2141 W2147 L2148 L2149 Y2172 V2175 N2176N2141-S2145 VanDerWaalsContact O-CB 3.23Å; N2141-S2145 WeakPolarHBondContact O-CB 3.4Å; N2141-S2145 PolarHBondContact O-N 3.24Å; N2141-S2145 PolarHBondContact O-OG 2.93Å; S2145-W2147 VanDerWaalsContact C-N 3.28Å; S2145-W2147 PolarHBondContact O-N 3.25Å; S2145-L2148 PolarHBondContact O-N 3.21Å; S2145-L2148 VanDerWaalsContact O-N 3.11Å; S2145-L2149 PolarHBondContact O-N 3.19Å; S2145-Y2172 WeakPolarHBondContact OG-CE2 3.37Å; S2145-V2175 VanDerWaalsContact OG-CG1 3.28Å; S2145-V2175 WeakPolarHBondContact OG-CG1 3.13Å; S2145-N2176 VanDerWaalsContact OG-CG 3.27Å; S2145-N2176 PolarHBondContact OG-ND2 3.09Å; S2145-N2176 PolarHBondContact OG-OD1 3.43Å
2146S92.3Very high88.5Confident65.5 Ų65.548.3 Ų48.346%0.45829%0.285SS..Hα-helixtrans-66.6-25.7177.478.80000114S2142 T2143 V2144 L2148S2142-S2146 WeakPolarHBondContact O-CB 3.37Å; S2142-S2146 PolarHBondContact O-N 3.02Å; T2143-S2146 WeakPolarHBondContact O-CB 3.44Å; T2143-S2146 PolarHBondContact O-N 3.23Å; T2143-S2146 VanDerWaalsContact O-N 3.14Å; T2143-S2146 PolarHBondContact O-OG 3.29Å; V2144-S2146 VanDerWaalsContact C-N 3.26Å; V2144-S2146 PolarHBondContact O-N 3.19Å; S2146-L2148 VanDerWaalsContact C-N 3.33Å
2147W91.8Very high87.9Confident51.25 Ų51.2548.5 Ų48.519%0.19429%0.286CS..Hα-helixtrans-79.5-21.5177.8-55.1-13.2000112.5A1932 R1936 M1939 L2132 T2143 V2144 S2145 Q2168A1932-W2147 HydrophobicContact CB-CZ3 4.38Å; R1936-W2147 HydrophobicContact CB-CE3 4.04Å; R1936-W2147 HydrophobicContact CB-CZ3 4.12Å; R1936-W2147 HydrophobicContact CG-CD2 4.26Å; R1936-W2147 HydrophobicContact CG-CE3 4.13Å; R1936-W2147 HydrophobicContact CG-CG 4.46Å; R1936-W2147 HydrophobicContact CG-CZ3 4.5Å; R1936-W2147 VanDerWaalsContact NH1-NE1 3.18Å; M1939-W2147 HydrophobicContact CE-CB 4.2Å; M1939-W2147 VanDerWaalsContact CE-O 3.22Å; M1939-W2147 WeakPolarHBondContact CE-O 3.4Å; L2132-W2147 HydrophobicContact CD1-CE3 4.14Å; T2143-W2147 VanDerWaalsContact O-CD1 3.26Å; T2143-W2147 PolarHBondContact O-N 3.1Å; T2143-W2147 PolarHBondContact O-NE1 3.3Å; V2144-W2147 HydrophobicContact CG2-CZ3 4.31Å; V2144-W2147 WeakPolarHBondContact O-CB 3.34Å; V2144-W2147 PolarHBondContact O-N 3.05Å; S2145-W2147 VanDerWaalsContact C-N 3.28Å; S2145-W2147 PolarHBondContact O-N 3.25Å; W2147-Q2168 PolarHBondContact O-NE2 3.36Å
2148L91.9Very high87.2Confident0 Ų051.2 Ų51.20%030%0.298CS..Hα-helixtrans-93.9-2-178.2-63.8172.1000113.1M1939 L2132 V2144 S2145 S2146 Q2168 A2171 Y2172 V2175 Y2190M1939-L2148 HydrophobicContact SD-CD2 4.05Å; L2132-L2148 HydrophobicContact CD2-CD1 3.63Å; L2132-L2148 HydrophobicContact CD2-CD2 4.02Å; L2132-L2148 HydrophobicContact CD2-CG 4.04Å; V2144-L2148 HydrophobicContact CG1-CD1 4.29Å; V2144-L2148 PolarHBondContact O-N 3.16Å; S2145-L2148 PolarHBondContact O-N 3.21Å; S2145-L2148 VanDerWaalsContact O-N 3.11Å; S2146-L2148 VanDerWaalsContact C-N 3.33Å; L2148-Q2168 HydrophobicContact CB-CG 4.38Å; L2148-Q2168 HydrophobicContact CD2-CG 4.29Å; L2148-Q2168 WeakPolarHBondContact O-CB 3.41Å; L2148-Q2168 WeakPolarHBondContact O-CG 3.48Å; L2148-A2171 HydrophobicContact CD1-CB 3.9Å; L2148-A2171 HydrophobicContact CD2-CB 3.97Å; L2148-A2171 HydrophobicContact CG-CB 4.47Å; L2148-Y2172 HydrophobicContact CB-CD2 4.35Å; L2148-V2175 HydrophobicContact CD1-CG2 3.87Å; L2148-Y2190 PolarHBondContact O-OH 3.21Å
2149L90.4Very high86.8Confident79.25 Ų79.2555.6 Ų55.642%0.41532%0.316SS..SBendtrans-70.7145.7174.9-72170.5000111.7S2145 Q2168 Y2172 Y2190S2145-L2149 PolarHBondContact O-N 3.19Å; L2149-Q2168 PolarHBondContact O-NE2 3.42Å; L2149-Y2172 HydrophobicContact CD2-CD2 4.21Å; L2149-Y2172 HydrophobicContact CD2-CE2 3.74Å; L2149-Y2172 HydrophobicContact CG-CE2 4.28Å; L2149-Y2190 HydrophobicContact CD2-CD2 4.39Å; L2149-Y2190 HydrophobicContact CD2-CE2 4.15Å
2150P87.1Confident86.6Confident11.75 Ų11.7555.1 Ų55.18%0.07631%0.308CS..PPolyproline II helixtrans-67.9148.3175.630-34.7000110.7S2152 L2157 Y2190 P2192 I2324P2150-S2152 PolarHBondContact O-N 3.24Å; P2150-L2157 HydrophobicContact CB-CD2 4.39Å; P2150-Y2190 HydrophobicContact CG-CE1 4.29Å; P2150-P2192 HydrophobicContact CG-CG 3.96Å; P2150-I2324 HydrophobicContact CB-CD1 4.42Å
2151P85.2Confident86.3Confident25 Ų2556.9 Ų56.916%0.16230%0.3CS..PPolyproline II helixtrans-65.1139.3178.516.9-20.3000111.9S2153 Q2156 L2157 I2160P2151-S2153 VanDerWaalsContact C-N 3.31Å; P2151-S2153 PolarHBondContact O-N 2.97Å; P2151-Q2156 HydrophobicContact CB-CB 3.72Å; P2151-Q2156 HydrophobicContact CG-CB 4.08Å; P2151-L2157 HydrophobicContact CG-CB 4.24Å; P2151-L2157 HydrophobicContact CG-CD2 3.76Å; P2151-L2157 HydrophobicContact CG-CG 4.08Å; P2151-I2160 HydrophobicContact CG-CD1 3.72Å
2152S79.9Confident86Confident69.25 Ų69.2557.1 Ų57.148%0.48430%0.304SS..SBendtrans-77.5-18.9177.7550000113.8P2150 L2154 Q2194 R2198P2150-S2152 PolarHBondContact O-N 3.24Å; S2152-L2154 PolarHBondContact O-N 2.8Å; S2152-Q2194 VanDerWaalsContact CB-OE1 3.32Å; S2152-Q2194 PolarHBondContact O-OE1 2.99Å; S2152-R2198 PolarHBondContact O-NH1 2.9Å
2153S81.7Confident85.9Confident45.25 Ų45.2554.6 Ų54.632%0.31628%0.283SS..SBendtrans-88.6125.1177.81670000111.2P2151 R2155 Q2156 L2157P2151-S2153 VanDerWaalsContact C-N 3.31Å; P2151-S2153 PolarHBondContact O-N 2.97Å; S2153-R2155 VanDerWaalsContact C-N 3.27Å; S2153-R2155 PolarHBondContact O-N 3.19Å; S2153-Q2156 WeakPolarHBondContact O-CA 3.4Å; S2153-Q2156 WeakPolarHBondContact O-CB 3.39Å; S2153-Q2156 PolarHBondContact O-N 3.32Å; S2153-Q2156 VanDerWaalsContact O-N 3.11Å; S2153-Q2156 WeakPolarHBondContact OG-CB 3.3Å; S2153-Q2156 WeakPolarHBondContact OG-CG 3.34Å; S2153-Q2156 PolarHBondContact OG-N 2.9Å; S2153-Q2156 PolarHBondContact OG-OE1 2.84Å; S2153-L2157 PolarHBondContact O-N 3.25Å; S2153-L2157 VanDerWaalsContact O-N 3.13Å
2154L78.6Confident85.9Confident34.75 Ų34.7551.9 Ų51.918%0.18227%0.266CS..Hα-helixtrans-57-39178.4-155.677.8000112.5S2152 Q2156 L2157 E2158 F2195 R2198 V2312 I2317S2152-L2154 PolarHBondContact O-N 2.8Å; L2154-Q2156 VanDerWaalsContact C-N 3.31Å; L2154-Q2156 PolarHBondContact O-N 3.03Å; L2154-L2157 HydrophobicContact CD1-CD1 4.07Å; L2154-L2157 HydrophobicContact CD1-CD2 4.4Å; L2154-L2157 CarbonylContact O-C 3.6Å; L2154-L2157 WeakPolarHBondContact O-CB 3.43Å; L2154-L2157 PolarHBondContact O-N 3.01Å; L2154-L2157 VanDerWaalsContact O-N 3.13Å; L2154-E2158 HydrophobicContact CD1-CG 4.4Å; L2154-E2158 WeakPolarHBondContact O-CG 3.32Å; L2154-E2158 PolarHBondContact O-N 3.1Å; L2154-F2195 HydrophobicContact CD2-CD2 3.69Å; L2154-F2195 HydrophobicContact CD2-CE2 4.04Å; L2154-R2198 HydrophobicContact CD1-CB 4.01Å; L2154-V2312 HydrophobicContact CB-CG1 4.43Å; L2154-V2312 HydrophobicContact CD1-CG1 4.23Å; L2154-V2312 HydrophobicContact CD2-CB 4.09Å; L2154-V2312 HydrophobicContact CD2-CG1 3.56Å; L2154-V2312 HydrophobicContact CD2-CG2 3.82Å; L2154-V2312 HydrophobicContact CG-CG1 4.27Å; L2154-I2317 HydrophobicContact CB-CD1 4.16Å; L2154-I2317 HydrophobicContact CD1-CD1 3.71Å; L2154-I2317 VanDerWaalsContact CD1-CD1 3.47Å; L2154-I2317 HydrophobicContact CD1-CG1 3.74Å; L2154-I2317 HydrophobicContact CD1-CG2 4.37Å; L2154-I2317 HydrophobicContact CD2-CD1 4.14Å; L2154-I2317 HydrophobicContact CG-CD1 4.01Å; L2154-I2317 HydrophobicContact CG-CG1 4.31Å
2155R79.8Confident85.9Confident177 Ų17751.9 Ų51.967%0.66827%0.266SS*.Hα-helixtrans-64.5-28.7175.6-68.2-174-158.4179.1-0.5113.3S2153 E2158 L2159 D2310S2153-R2155 VanDerWaalsContact C-N 3.27Å; S2153-R2155 PolarHBondContact O-N 3.19Å; R2155-E2158 WeakPolarHBondContact CA-OE2 3.46Å; R2155-L2159 WeakPolarHBondContact O-CD1 3.4Å; R2155-L2159 VanDerWaalsContact O-CG 3.29Å; R2155-L2159 WeakPolarHBondContact O-CG 3.39Å; R2155-L2159 PolarHBondContact O-N 3.12Å; R2155-D2310 IonicContact NH2-OD1 3.75Å; R2155-D2310 PolarHBondContact NH2-OD1 2.72Å
2156Q80.9Confident86Confident101.5 Ų101.552.1 Ų52.147%0.47427%0.266SS..Hα-helixtrans-77.3-33.9173.5-71.1171.1-24.900111.2P2151 S2153 L2154 E2158 L2159 I2160P2151-Q2156 HydrophobicContact CB-CB 3.72Å; P2151-Q2156 HydrophobicContact CG-CB 4.08Å; S2153-Q2156 WeakPolarHBondContact O-CA 3.4Å; S2153-Q2156 WeakPolarHBondContact O-CB 3.39Å; S2153-Q2156 PolarHBondContact O-N 3.32Å; S2153-Q2156 VanDerWaalsContact O-N 3.11Å; S2153-Q2156 WeakPolarHBondContact OG-CB 3.3Å; S2153-Q2156 WeakPolarHBondContact OG-CG 3.34Å; S2153-Q2156 PolarHBondContact OG-N 2.9Å; S2153-Q2156 PolarHBondContact OG-OE1 2.84Å; L2154-Q2156 VanDerWaalsContact C-N 3.31Å; L2154-Q2156 PolarHBondContact O-N 3.03Å; Q2156-E2158 VanDerWaalsContact C-N 3.33Å; Q2156-E2158 PolarHBondContact O-N 3.34Å; Q2156-L2159 PolarHBondContact O-N 3.17Å; Q2156-I2160 WeakPolarHBondContact O-CG1 3.32Å; Q2156-I2160 PolarHBondContact O-N 3.32Å
2157L80.6Confident86.1Confident9.75 Ų9.7549.8 Ų49.85%0.05125%0.247CC..Hα-helixtrans-67-38.6174.4-155.7133.5000112.1P2150 P2151 S2153 L2154 L2159 I2160 L2165 F2195 I2317 A2320P2150-L2157 HydrophobicContact CB-CD2 4.39Å; P2151-L2157 HydrophobicContact CG-CB 4.24Å; P2151-L2157 HydrophobicContact CG-CD2 3.76Å; P2151-L2157 HydrophobicContact CG-CG 4.08Å; S2153-L2157 PolarHBondContact O-N 3.25Å; S2153-L2157 VanDerWaalsContact O-N 3.13Å; L2154-L2157 HydrophobicContact CD1-CD1 4.07Å; L2154-L2157 HydrophobicContact CD1-CD2 4.4Å; L2154-L2157 CarbonylContact O-C 3.6Å; L2154-L2157 WeakPolarHBondContact O-CB 3.43Å; L2154-L2157 PolarHBondContact O-N 3.01Å; L2154-L2157 VanDerWaalsContact O-N 3.13Å; L2157-L2159 VanDerWaalsContact C-N 3.31Å; L2157-L2159 PolarHBondContact O-N 3.2Å; L2157-L2159 VanDerWaalsContact O-N 3.11Å; L2157-I2160 PolarHBondContact O-N 3.21Å; L2157-L2165 HydrophobicContact CD1-CD1 4.09Å; L2157-L2165 HydrophobicContact CD1-CD2 4.33Å; L2157-L2165 HydrophobicContact CD2-CD1 4.15Å; L2157-L2165 HydrophobicContact CD2-CD2 4.21Å; L2157-L2165 HydrophobicContact CG-CD1 4.32Å; L2157-F2195 HydrophobicContact CD1-CD2 4.17Å; L2157-F2195 HydrophobicContact CD1-CE1 3.31Å; L2157-F2195 HydrophobicContact CD1-CE2 4.07Å; L2157-F2195 HydrophobicContact CD1-CZ 3.21Å; L2157-F2195 HydrophobicContact CD2-CD2 4.42Å; L2157-F2195 HydrophobicContact CD2-CE2 4Å; L2157-F2195 HydrophobicContact CD2-CZ 4.44Å; L2157-I2317 HydrophobicContact CD2-CB 4.25Å; L2157-I2317 HydrophobicContact CD2-CG1 4.09Å; L2157-I2317 HydrophobicContact CD2-CG2 4.25Å; L2157-A2320 HydrophobicContact CD1-CB 4.34Å; L2157-A2320 HydrophobicContact CD2-CB 3.88Å; L2157-A2320 HydrophobicContact CG-CB 4.2Å
2158E80.5Confident86.2Confident70.25 Ų70.2548 Ų4833%0.32824%0.241SC..Hα-helixtrans-64.5-21.6174.1-71.4170.4162.600113.4L2154 R2155 Q2156 R2235 V2312 D2313L2154-E2158 HydrophobicContact CD1-CG 4.4Å; L2154-E2158 WeakPolarHBondContact O-CG 3.32Å; L2154-E2158 PolarHBondContact O-N 3.1Å; R2155-E2158 WeakPolarHBondContact CA-OE2 3.46Å; Q2156-E2158 VanDerWaalsContact C-N 3.33Å; Q2156-E2158 PolarHBondContact O-N 3.34Å; E2158-R2235 PolarHBondContact O-NH1 2.94Å; E2158-V2312 VanDerWaalsContact OE1-CG1 3.3Å; E2158-V2312 WeakPolarHBondContact OE1-CG1 3.34Å; E2158-D2313 PolarHBondContact OE1-N 2.73Å
2159L82.6Confident86.2Confident116 Ų11648 Ų4861%0.60724%0.242SC*.Hα-helixtrans-87.5-19.3177.2-71.6170000113.7R2155 Q2156 L2157 R2235 P2237R2155-L2159 WeakPolarHBondContact O-CD1 3.4Å; R2155-L2159 VanDerWaalsContact O-CG 3.29Å; R2155-L2159 WeakPolarHBondContact O-CG 3.39Å; R2155-L2159 PolarHBondContact O-N 3.12Å; Q2156-L2159 PolarHBondContact O-N 3.17Å; L2157-L2159 VanDerWaalsContact C-N 3.31Å; L2157-L2159 PolarHBondContact O-N 3.2Å; L2157-L2159 VanDerWaalsContact O-N 3.11Å; L2159-R2235 HydrophobicContact CD2-CB 4.42Å; L2159-P2237 HydrophobicContact CD1-CB 3.89Å; L2159-P2237 HydrophobicContact CD1-CG 4.35Å
2160I85.3Confident86.5Confident51.75 Ų51.7544.5 Ų44.527%0.26522%0.223SC..SBendtrans-93.1129-178.1-65.5175.1000109.6P2151 Q2156 L2157 L2164 L2165P2151-I2160 HydrophobicContact CG-CD1 3.72Å; Q2156-I2160 WeakPolarHBondContact O-CG1 3.32Å; Q2156-I2160 PolarHBondContact O-N 3.32Å; L2157-I2160 PolarHBondContact O-N 3.21Å; I2160-L2164 HydrophobicContact CG2-CB 3.97Å; I2160-L2164 HydrophobicContact CG2-CD1 4.33Å; I2160-L2165 HydrophobicContact CB-CD2 4.38Å; I2160-L2165 HydrophobicContact CD1-CD2 4.37Å; I2160-L2165 HydrophobicContact CG2-CD2 3.94Å; I2160-L2165 HydrophobicContact CG2-CG 4.09Å
2161R85.5Confident86.9Confident82.5 Ų82.543.9 Ų43.931%0.31122%0.219SC..  trans-56.7125.5171.6-169.9179.6140.3173.3-0.5109.5D2122 D2163 L2164 Y2541D2122-R2161 PolarHBondContact O-NH1 3.1Å; D2122-R2161 IonicContact OD1-NH1 2.91Å; D2122-R2161 PolarHBondContact OD1-NH1 3.01Å; R2161-D2163 VanDerWaalsContact C-N 3.26Å; R2161-D2163 WeakPolarHBondContact CB-OD1 3.31Å; R2161-D2163 WeakPolarHBondContact CD-OD1 3.27Å; R2161-D2163 HydrophobicContact CG-CB 4.37Å; R2161-D2163 WeakPolarHBondContact CG-OD1 3.46Å; R2161-D2163 IonicContact CZ-OD1 3.94Å; R2161-D2163 IonicContact CZ-OD2 3.14Å; R2161-D2163 VanDerWaalsContact CZ-OD2 3.24Å; R2161-D2163 VanDerWaalsContact NE-CG 3.31Å; R2161-D2163 IonicContact NE-OD1 3.11Å; R2161-D2163 PolarHBondContact NE-OD1 3.27Å; R2161-D2163 IonicContact NE-OD2 3.45Å; R2161-D2163 PolarHBondContact NE-OD2 3.15Å; R2161-D2163 IonicContact NH2-OD1 3.41Å; R2161-D2163 IonicContact NH2-OD2 3.48Å; R2161-D2163 PolarHBondContact NH2-OD2 3.33Å; R2161-D2163 PolarHBondContact O-N 3.17Å; R2161-D2163 VanDerWaalsContact O-N 3.16Å; R2161-L2164 HydrophobicContact CB-CD1 4.07Å; R2161-L2164 HydrophobicContact CB-CG 4.15Å; R2161-L2164 VanDerWaalsContact O-CB 3.3Å; R2161-L2164 WeakPolarHBondContact O-CB 3.43Å; R2161-L2164 PolarHBondContact O-N 3.24Å; R2161-Y2541 PolarHBondContact NH1-OH 3.27Å; R2161-Y2541 VanDerWaalsContact NH1-OH 3.08Å
2162P85.1Confident87.3Confident35.25 Ų35.2544.9 Ų44.923%0.22922%0.22CC..Hα-helixtrans-65.9-21.6-165.924.3-35.1000114.2L2164 L2165 L2319 A2320 N2323P2162-L2164 VanDerWaalsContact C-N 3.28Å; P2162-L2164 PolarHBondContact O-N 3.1Å; P2162-L2165 WeakPolarHBondContact O-CB 3.27Å; P2162-L2165 PolarHBondContact O-N 3.04Å; P2162-L2319 HydrophobicContact CB-CD2 4.1Å; P2162-L2319 HydrophobicContact CB-CG 4.09Å; P2162-L2319 HydrophobicContact CG-CD2 3.72Å; P2162-L2319 HydrophobicContact CG-CG 3.96Å; P2162-A2320 HydrophobicContact CB-CB 4.45Å; P2162-N2323 WeakPolarHBondContact O-CB 3.38Å; P2162-N2323 PolarHBondContact O-ND2 3.09Å
2163D88.8Confident88Confident38.5 Ų38.541.6 Ų41.621%0.20620%0.198CC..Hα-helixtrans-67.2-29.5172.72.1-26.4000112.5R2161 L2165 L2166 F2167 N2323R2161-D2163 VanDerWaalsContact C-N 3.26Å; R2161-D2163 WeakPolarHBondContact CB-OD1 3.31Å; R2161-D2163 WeakPolarHBondContact CD-OD1 3.27Å; R2161-D2163 HydrophobicContact CG-CB 4.37Å; R2161-D2163 WeakPolarHBondContact CG-OD1 3.46Å; R2161-D2163 IonicContact CZ-OD1 3.94Å; R2161-D2163 IonicContact CZ-OD2 3.14Å; R2161-D2163 VanDerWaalsContact CZ-OD2 3.24Å; R2161-D2163 VanDerWaalsContact NE-CG 3.31Å; R2161-D2163 IonicContact NE-OD1 3.11Å; R2161-D2163 PolarHBondContact NE-OD1 3.27Å; R2161-D2163 IonicContact NE-OD2 3.45Å; R2161-D2163 PolarHBondContact NE-OD2 3.15Å; R2161-D2163 IonicContact NH2-OD1 3.41Å; R2161-D2163 IonicContact NH2-OD2 3.48Å; R2161-D2163 PolarHBondContact NH2-OD2 3.33Å; R2161-D2163 PolarHBondContact O-N 3.17Å; R2161-D2163 VanDerWaalsContact O-N 3.16Å; D2163-L2165 VanDerWaalsContact C-N 3.33Å; D2163-L2165 PolarHBondContact O-N 3.29Å; D2163-L2166 VanDerWaalsContact O-CB 3.28Å; D2163-L2166 WeakPolarHBondContact O-CB 3.31Å; D2163-L2166 PolarHBondContact O-N 3.09Å; D2163-L2166 VanDerWaalsContact O-N 3.14Å; D2163-F2167 HydrophobicContact CB-CE2 4.48Å; D2163-F2167 VanDerWaalsContact O-CD2 3.25Å; D2163-F2167 WeakPolarHBondContact O-CD2 3.38Å; D2163-F2167 PolarHBondContact O-N 3.07Å; D2163-N2323 WeakPolarHBondContact CA-ND2 3.2Å; D2163-N2323 PolarHBondContact N-ND2 3.43Å; D2163-N2323 PolarHBondContact OD1-ND2 3.45Å
2164L91.8Very high88.6Confident14.25 Ų14.2539.7 Ų39.78%0.07518%0.184CC..Hα-helixtrans-65.5-31.1174.8-60.6178.8000111.8A2125 P2126 M2129 I2160 R2161 P2162 L2166 F2167 Q2168A2125-L2164 HydrophobicContact CB-CD1 4.39Å; A2125-L2164 HydrophobicContact CB-CD2 4.05Å; P2126-L2164 HydrophobicContact CB-CD2 4.31Å; P2126-L2164 HydrophobicContact CG-CD2 4.03Å; M2129-L2164 HydrophobicContact CE-CB 4.16Å; I2160-L2164 HydrophobicContact CG2-CB 3.97Å; I2160-L2164 HydrophobicContact CG2-CD1 4.33Å; R2161-L2164 HydrophobicContact CB-CD1 4.07Å; R2161-L2164 HydrophobicContact CB-CG 4.15Å; R2161-L2164 VanDerWaalsContact O-CB 3.3Å; R2161-L2164 WeakPolarHBondContact O-CB 3.43Å; R2161-L2164 PolarHBondContact O-N 3.24Å; P2162-L2164 VanDerWaalsContact C-N 3.28Å; P2162-L2164 PolarHBondContact O-N 3.1Å; L2164-L2166 VanDerWaalsContact C-N 3.31Å; L2164-L2166 PolarHBondContact O-N 3.06Å; L2164-F2167 HydrophobicContact CD2-CD2 4.32Å; L2164-F2167 PolarHBondContact O-N 3.18Å; L2164-Q2168 WeakPolarHBondContact O-CB 3.5Å; L2164-Q2168 WeakPolarHBondContact O-CG 3.3Å; L2164-Q2168 PolarHBondContact O-N 3.02Å
2165L91.8Very high89.4Confident1.25 Ų1.2538.1 Ų38.11%0.00718%0.175CC..Hα-helixtrans-68.1-31.2175.6-58173.7000112.1L2157 I2160 P2162 D2163 Q2168 A2169 A2320 I2324L2157-L2165 HydrophobicContact CD1-CD1 4.09Å; L2157-L2165 HydrophobicContact CD1-CD2 4.33Å; L2157-L2165 HydrophobicContact CD2-CD1 4.15Å; L2157-L2165 HydrophobicContact CD2-CD2 4.21Å; L2157-L2165 HydrophobicContact CG-CD1 4.32Å; I2160-L2165 HydrophobicContact CB-CD2 4.38Å; I2160-L2165 HydrophobicContact CD1-CD2 4.37Å; I2160-L2165 HydrophobicContact CG2-CD2 3.94Å; I2160-L2165 HydrophobicContact CG2-CG 4.09Å; P2162-L2165 WeakPolarHBondContact O-CB 3.27Å; P2162-L2165 PolarHBondContact O-N 3.04Å; D2163-L2165 VanDerWaalsContact C-N 3.33Å; D2163-L2165 PolarHBondContact O-N 3.29Å; L2165-Q2168 PolarHBondContact O-N 3.1Å; L2165-A2169 WeakPolarHBondContact O-CB 3.4Å; L2165-A2169 PolarHBondContact O-N 3.12Å; L2165-A2320 HydrophobicContact CD1-CB 3.45Å; L2165-A2320 VanDerWaalsContact CD1-CB 3.45Å; L2165-I2324 HydrophobicContact CB-CD1 4.41Å; L2165-I2324 HydrophobicContact CB-CG1 3.88Å; L2165-I2324 HydrophobicContact CD1-CD1 4.42Å
2166L93.7Very high90.1Very high13.5 Ų13.530.6 Ų30.67%0.07115%0.148CC..Hα-helixtrans-64.3-47.6171.4-170.5168.1000110D2163 L2164 Q2168 A2169 L2170 N2323 V2326 L2330 P2530D2163-L2166 VanDerWaalsContact O-CB 3.28Å; D2163-L2166 WeakPolarHBondContact O-CB 3.31Å; D2163-L2166 PolarHBondContact O-N 3.09Å; D2163-L2166 VanDerWaalsContact O-N 3.14Å; L2164-L2166 VanDerWaalsContact C-N 3.31Å; L2164-L2166 PolarHBondContact O-N 3.06Å; L2166-Q2168 VanDerWaalsContact C-N 3.3Å; L2166-Q2168 PolarHBondContact O-N 3.22Å; L2166-A2169 PolarHBondContact O-N 3.26Å; L2166-L2170 HydrophobicContact CD2-CD1 4.46Å; L2166-L2170 VanDerWaalsContact O-CB 3.31Å; L2166-L2170 WeakPolarHBondContact O-CB 3.37Å; L2166-L2170 PolarHBondContact O-N 3.29Å; L2166-N2323 WeakPolarHBondContact CA-O 3.27Å; L2166-N2323 HydrophobicContact CB-CB 4.09Å; L2166-N2323 WeakPolarHBondContact CB-O 3.34Å; L2166-N2323 WeakPolarHBondContact CG-O 3.34Å; L2166-V2326 HydrophobicContact CD1-CB 4.2Å; L2166-V2326 HydrophobicContact CD1-CG1 3.71Å; L2166-V2326 HydrophobicContact CG-CB 4.44Å; L2166-V2326 HydrophobicContact CG-CG1 4.18Å; L2166-L2330 HydrophobicContact CD2-CD1 4.15Å; L2166-P2530 HydrophobicContact CD1-CB 4.14Å; L2166-P2530 HydrophobicContact CD1-CG 4.45Å; L2166-P2530 HydrophobicContact CD2-CB 3.76Å; L2166-P2530 HydrophobicContact CD2-CG 3.44Å
2167F94.3Very high90.6Very high16.75 Ų16.7527.6 Ų27.67%0.07313%0.133CC..Hα-helixtrans-63.9-37.3177.1-68.8-60.2000113P2126 M2129 M2130 D2163 L2164 L2170 A2171 F2529 P2530 L2531P2126-F2167 HydrophobicContact CB-CD1 4.47Å; P2126-F2167 HydrophobicContact CB-CD2 3.94Å; P2126-F2167 HydrophobicContact CB-CE2 3.86Å; P2126-F2167 HydrophobicContact CB-CG 4.33Å; P2126-F2167 HydrophobicContact CB-CZ 4.27Å; P2126-F2167 HydrophobicContact CG-CE2 4.37Å; M2129-F2167 HydrophobicContact CB-CB 4.33Å; M2129-F2167 HydrophobicContact SD-CB 3.61Å; M2129-F2167 VanDerWaalsContact SD-CB 3.55Å; M2130-F2167 HydrophobicContact CE-CB 4Å; M2130-F2167 HydrophobicContact CE-CD1 3.91Å; M2130-F2167 HydrophobicContact CE-CG 4.4Å; M2130-F2167 WeakPolarHBondContact CE-O 3.41Å; M2130-F2167 HydrophobicContact CG-CD1 4.22Å; M2130-F2167 HydrophobicContact CG-CE1 4.44Å; M2130-F2167 HydrophobicContact SD-CD1 4.24Å; D2163-F2167 HydrophobicContact CB-CE2 4.48Å; D2163-F2167 VanDerWaalsContact O-CD2 3.25Å; D2163-F2167 WeakPolarHBondContact O-CD2 3.38Å; D2163-F2167 PolarHBondContact O-N 3.07Å; L2164-F2167 HydrophobicContact CD2-CD2 4.32Å; L2164-F2167 PolarHBondContact O-N 3.18Å; F2167-L2170 PolarHBondContact O-N 2.91Å; F2167-A2171 VanDerWaalsContact O-CB 3.26Å; F2167-A2171 WeakPolarHBondContact O-CB 3.41Å; F2167-A2171 PolarHBondContact O-N 3.12Å; F2167-F2529 HydrophobicContact CD1-CE2 4.22Å; F2167-F2529 HydrophobicContact CD1-CZ 4.31Å; F2167-F2529 HydrophobicContact CE1-CD2 4.19Å; F2167-F2529 AromaticContact CE1-CE1 3.88Å; F2167-F2529 HydrophobicContact CE1-CE1 3.95Å; F2167-F2529 AromaticContact CE1-CE2 3.37Å; F2167-F2529 HydrophobicContact CE1-CE2 3.37Å; F2167-F2529 VanDerWaalsContact CE1-CE2 3.45Å; F2167-F2529 AromaticContact CE1-CZ 3.23Å; F2167-F2529 HydrophobicContact CE1-CZ 3.23Å; F2167-F2529 HydrophobicContact CE2-CZ 4.4Å; F2167-F2529 AromaticContact CZ-CE1 3.71Å; F2167-F2529 HydrophobicContact CZ-CE1 3.71Å; F2167-F2529 AromaticContact CZ-CE2 3.86Å; F2167-F2529 HydrophobicContact CZ-CE2 3.95Å; F2167-F2529 AromaticContact CZ-CZ 3.28Å; F2167-F2529 HydrophobicContact CZ-CZ 3.28Å; F2167-P2530 HydrophobicContact CD1-CG 4.15Å; F2167-P2530 HydrophobicContact CE1-CG 3.5Å; F2167-P2530 HydrophobicContact CZ-CG 4.09Å; F2167-L2531 HydrophobicContact CE2-CD1 4.2Å; F2167-L2531 HydrophobicContact CE2-CD2 4.43Å; F2167-L2531 HydrophobicContact CE2-CG 4.27Å; F2167-L2531 HydrophobicContact CZ-CD1 3.98Å; F2167-L2531 HydrophobicContact CZ-CG 3.84Å
2168Q94Very high91.1Very high13.5 Ų13.532.8 Ų32.86%0.06316%0.16CC..Hα-helixtrans-62.3-50.4173.7-97.3-178.1-17.600111.8M2129 W2147 L2148 L2149 L2164 L2165 L2166 L2170 A2171 Y2172M2129-Q2168 HydrophobicContact CE-CB 3.97Å; M2129-Q2168 HydrophobicContact CE-CG 3.66Å; M2129-Q2168 VanDerWaalsContact CE-CG 3.45Å; M2129-Q2168 HydrophobicContact SD-CB 3.94Å; M2129-Q2168 HydrophobicContact SD-CG 3.84Å; W2147-Q2168 PolarHBondContact O-NE2 3.36Å; L2148-Q2168 HydrophobicContact CB-CG 4.38Å; L2148-Q2168 HydrophobicContact CD2-CG 4.29Å; L2148-Q2168 WeakPolarHBondContact O-CB 3.41Å; L2148-Q2168 WeakPolarHBondContact O-CG 3.48Å; L2149-Q2168 PolarHBondContact O-NE2 3.42Å; L2164-Q2168 WeakPolarHBondContact O-CB 3.5Å; L2164-Q2168 WeakPolarHBondContact O-CG 3.3Å; L2164-Q2168 PolarHBondContact O-N 3.02Å; L2165-Q2168 PolarHBondContact O-N 3.1Å; L2166-Q2168 VanDerWaalsContact C-N 3.3Å; L2166-Q2168 PolarHBondContact O-N 3.22Å; Q2168-L2170 VanDerWaalsContact C-N 3.33Å; Q2168-L2170 PolarHBondContact O-N 3.11Å; Q2168-A2171 PolarHBondContact O-N 3.17Å; Q2168-Y2172 VanDerWaalsContact O-CB 3.3Å; Q2168-Y2172 WeakPolarHBondContact O-CB 3.31Å; Q2168-Y2172 PolarHBondContact O-N 3.08Å
2169A93.6Very high91.6Very high1 Ų132.4 Ų32.41%0.00817%0.166CC..Hα-helixtrans-61.3-40.7177.700000112.4L2165 L2166 Y2172 G2173 Y2190L2165-A2169 WeakPolarHBondContact O-CB 3.4Å; L2165-A2169 PolarHBondContact O-N 3.12Å; L2166-A2169 PolarHBondContact O-N 3.26Å; A2169-Y2172 PolarHBondContact O-N 2.92Å; A2169-G2173 PolarHBondContact O-N 3.09Å; A2169-G2173 VanDerWaalsContact O-N 3.09Å; A2169-Y2190 WeakPolarHBondContact CA-OH 3.4Å; A2169-Y2190 HydrophobicContact CB-CD1 4.32Å; A2169-Y2190 HydrophobicContact CB-CE1 3.6Å; A2169-Y2190 PolarHBondContact N-OH 3.25Å
2170L95.1Very high92.1Very high4.75 Ų4.7527 Ų273%0.02514%0.138CC..Hα-helixtrans-62.9-50.2175-169.8146.5000111M2130 L2166 F2167 Q2168 Y2172 G2173 L2174 L2330 V2525 P2530M2130-L2170 HydrophobicContact CE-CB 4.46Å; M2130-L2170 HydrophobicContact CE-CD2 4.04Å; M2130-L2170 HydrophobicContact SD-CD1 4.41Å; M2130-L2170 HydrophobicContact SD-CD2 3.89Å; M2130-L2170 HydrophobicContact SD-CG 4.46Å; L2166-L2170 HydrophobicContact CD2-CD1 4.46Å; L2166-L2170 VanDerWaalsContact O-CB 3.31Å; L2166-L2170 WeakPolarHBondContact O-CB 3.37Å; L2166-L2170 PolarHBondContact O-N 3.29Å; F2167-L2170 PolarHBondContact O-N 2.91Å; Q2168-L2170 VanDerWaalsContact C-N 3.33Å; Q2168-L2170 PolarHBondContact O-N 3.11Å; L2170-Y2172 VanDerWaalsContact C-N 3.32Å; L2170-Y2172 PolarHBondContact O-N 3.09Å; L2170-G2173 PolarHBondContact O-N 3.15Å; L2170-L2174 HydrophobicContact CD2-CD1 3.74Å; L2170-L2174 HydrophobicContact CD2-CG 4.04Å; L2170-L2174 WeakPolarHBondContact O-CG 3.39Å; L2170-L2174 PolarHBondContact O-N 3.16Å; L2170-L2174 VanDerWaalsContact O-N 3.08Å; L2170-L2330 HydrophobicContact CD1-CB 3.91Å; L2170-L2330 HydrophobicContact CD1-CD1 4.17Å; L2170-L2330 HydrophobicContact CD1-CD2 3.91Å; L2170-L2330 HydrophobicContact CG-CD2 4.2Å; L2170-V2525 HydrophobicContact CD2-CG1 4.35Å; L2170-V2525 HydrophobicContact CD2-CG2 4.26Å; L2170-P2530 HydrophobicContact CD1-CG 4.33Å
2171A95.1Very high92.4Very high0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-61.8-40.9178.700000112.1M2129 M2130 L2148 F2167 Q2168 G2173 L2174 V2175M2129-A2171 HydrophobicContact CB-CB 4.41Å; M2129-A2171 WeakPolarHBondContact O-CB 3.42Å; M2130-A2171 HydrophobicContact CE-CB 4.09Å; L2148-A2171 HydrophobicContact CD1-CB 3.9Å; L2148-A2171 HydrophobicContact CD2-CB 3.97Å; L2148-A2171 HydrophobicContact CG-CB 4.47Å; F2167-A2171 VanDerWaalsContact O-CB 3.26Å; F2167-A2171 WeakPolarHBondContact O-CB 3.41Å; F2167-A2171 PolarHBondContact O-N 3.12Å; Q2168-A2171 PolarHBondContact O-N 3.17Å; A2171-G2173 VanDerWaalsContact C-N 3.31Å; A2171-G2173 PolarHBondContact O-N 3.14Å; A2171-L2174 WeakPolarHBondContact O-CB 3.37Å; A2171-L2174 PolarHBondContact O-N 3.32Å; A2171-L2174 VanDerWaalsContact O-N 3.11Å; A2171-V2175 WeakPolarHBondContact O-CG2 3.38Å; A2171-V2175 PolarHBondContact O-N 2.99Å
2172Y95.2Very high92.7Very high46.5 Ų46.527.3 Ų27.318%0.18214%0.143CC..Hα-helixtrans-58.9-43.4174.9178.5-88.9000111.4S2145 L2148 L2149 Q2168 A2169 L2170 L2174 V2175 N2176 Y2190S2145-Y2172 WeakPolarHBondContact OG-CE2 3.37Å; L2148-Y2172 HydrophobicContact CB-CD2 4.35Å; L2149-Y2172 HydrophobicContact CD2-CD2 4.21Å; L2149-Y2172 HydrophobicContact CD2-CE2 3.74Å; L2149-Y2172 HydrophobicContact CG-CE2 4.28Å; Q2168-Y2172 VanDerWaalsContact O-CB 3.3Å; Q2168-Y2172 WeakPolarHBondContact O-CB 3.31Å; Q2168-Y2172 PolarHBondContact O-N 3.08Å; A2169-Y2172 PolarHBondContact O-N 2.92Å; L2170-Y2172 VanDerWaalsContact C-N 3.32Å; L2170-Y2172 PolarHBondContact O-N 3.09Å; Y2172-L2174 VanDerWaalsContact C-N 3.34Å; Y2172-L2174 PolarHBondContact O-N 2.92Å; Y2172-V2175 PolarHBondContact O-N 3.26Å; Y2172-N2176 WeakPolarHBondContact CD2-ND2 3.31Å; Y2172-N2176 HydrophobicContact CE1-CB 4.49Å; Y2172-N2176 WeakPolarHBondContact CE1-ND2 3.43Å; Y2172-N2176 VanDerWaalsContact CE2-ND2 3.3Å; Y2172-N2176 WeakPolarHBondContact CE2-ND2 3.4Å; Y2172-N2176 VanDerWaalsContact CZ-ND2 3.26Å; Y2172-N2176 WeakPolarHBondContact O-CB 3.18Å; Y2172-N2176 PolarHBondContact O-N 3.11Å; Y2172-N2176 PolarHBondContact O-ND2 2.93Å; Y2172-Y2190 AromaticContact CD1-CD2 3.51Å; Y2172-Y2190 HydrophobicContact CD1-CD2 3.51Å; Y2172-Y2190 AromaticContact CD1-CE2 3.54Å; Y2172-Y2190 HydrophobicContact CD1-CE2 3.54Å; Y2172-Y2190 HydrophobicContact CD2-CD2 4.29Å; Y2172-Y2190 AromaticContact CD2-CE2 3.75Å; Y2172-Y2190 HydrophobicContact CD2-CE2 3.75Å; Y2172-Y2190 AromaticContact CE1-CD2 3.57Å; Y2172-Y2190 HydrophobicContact CE1-CD2 3.57Å; Y2172-Y2190 AromaticContact CE1-CE2 3.93Å; Y2172-Y2190 HydrophobicContact CE1-CE2 3.99Å; Y2172-Y2190 HydrophobicContact CE2-CD2 4.32Å; Y2172-Y2190 HydrophobicContact CE2-CE2 4.16Å; Y2172-Y2190 AromaticContact CG-CD2 3.9Å; Y2172-Y2190 HydrophobicContact CG-CD2 3.9Å; Y2172-Y2190 AromaticContact CG-CE2 3.41Å; Y2172-Y2190 HydrophobicContact CG-CE2 3.41Å; Y2172-Y2190 VanDerWaalsContact CG-CE2 3.45Å; Y2172-Y2190 AromaticContact CZ-CD2 3.98Å
2173G93.5Very high92.9Very high0.5 Ų0.527.6 Ų27.61%0.00514%0.144CC..Hα-helixtrans-62.1-37.6173.300000113.5A2169 L2170 A2171 N2176 W2177 I2180A2169-G2173 PolarHBondContact O-N 3.09Å; A2169-G2173 VanDerWaalsContact O-N 3.09Å; L2170-G2173 PolarHBondContact O-N 3.15Å; A2171-G2173 VanDerWaalsContact C-N 3.31Å; A2171-G2173 PolarHBondContact O-N 3.14Å; G2173-N2176 CarbonylContact O-C 3.59Å; G2173-W2177 VanDerWaalsContact O-CA 3.28Å; G2173-W2177 WeakPolarHBondContact O-CA 3.32Å; G2173-W2177 PolarHBondContact O-N 3.26Å; G2173-W2177 VanDerWaalsContact O-N 3.13Å; G2173-I2180 WeakPolarHBondContact O-CD1 3.37Å
2174L94.7Very high92.9Very high5 Ų529.6 Ų29.63%0.02615%0.152CC..Hα-helixtrans-66-44.4174.5-63.6176.5000111.9M2130 G2133 L2137 G2138 L2170 A2171 Y2172 W2177 L2334 V2525M2130-L2174 HydrophobicContact CE-CD1 4.33Å; G2133-L2174 VanDerWaalsContact O-CB 3.29Å; G2133-L2174 WeakPolarHBondContact O-CB 3.38Å; L2137-L2174 WeakPolarHBondContact CA-O 3.38Å; L2137-L2174 HydrophobicContact CD1-CB 3.97Å; L2137-L2174 HydrophobicContact CD1-CD2 3.93Å; L2137-L2174 HydrophobicContact CD1-CG 4.46Å; L2137-L2174 WeakPolarHBondContact CD1-O 3.28Å; L2137-L2174 HydrophobicContact CG-CB 4.49Å; G2138-L2174 PolarHBondContact N-O 3.22Å; L2170-L2174 HydrophobicContact CD2-CD1 3.74Å; L2170-L2174 HydrophobicContact CD2-CG 4.04Å; L2170-L2174 WeakPolarHBondContact O-CG 3.39Å; L2170-L2174 PolarHBondContact O-N 3.16Å; L2170-L2174 VanDerWaalsContact O-N 3.08Å; A2171-L2174 WeakPolarHBondContact O-CB 3.37Å; A2171-L2174 PolarHBondContact O-N 3.32Å; A2171-L2174 VanDerWaalsContact O-N 3.11Å; Y2172-L2174 VanDerWaalsContact C-N 3.34Å; Y2172-L2174 PolarHBondContact O-N 2.92Å; L2174-W2177 HydrophobicContact CD2-CE3 4.31Å; L2174-W2177 HydrophobicContact CD2-CZ3 3.97Å; L2174-W2177 PolarHBondContact O-N 3.08Å; L2174-L2334 HydrophobicContact CD2-CD1 4.32Å; L2174-V2525 HydrophobicContact CD1-CG2 4.18Å; L2174-V2525 HydrophobicContact CD2-CG2 4.19Å
2175V95.2Very high92.6Very high0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-64.6-47.1178179.30000111.1L2132 Y2136 G2138 S2139 G2140 V2144 S2145 L2148 A2171 Y2172 W2177L2132-V2175 HydrophobicContact CD2-CG2 4.13Å; Y2136-V2175 WeakPolarHBondContact O-CA 3.27Å; G2138-V2175 PolarHBondContact N-O 3.47Å; S2139-V2175 PolarHBondContact N-O 3.13Å; G2140-V2175 PolarHBondContact N-O 3.1Å; V2144-V2175 HydrophobicContact CG1-CG2 4.25Å; S2145-V2175 VanDerWaalsContact OG-CG1 3.28Å; S2145-V2175 WeakPolarHBondContact OG-CG1 3.13Å; L2148-V2175 HydrophobicContact CD1-CG2 3.87Å; A2171-V2175 WeakPolarHBondContact O-CG2 3.38Å; A2171-V2175 PolarHBondContact O-N 2.99Å; Y2172-V2175 PolarHBondContact O-N 3.26Å; V2175-W2177 VanDerWaalsContact C-N 3.29Å; V2175-W2177 PolarHBondContact O-N 3.06Å
2176N93.9Very high92.6Very high19.5 Ų19.537.1 Ų37.110%0.10419%0.187CC..THydrogen-bonded Turntrans-94.335.7-177.2-58.5-44.7000112.6S2145 Y2172 G2173 N2178 S2179S2145-N2176 VanDerWaalsContact OG-CG 3.27Å; S2145-N2176 PolarHBondContact OG-ND2 3.09Å; S2145-N2176 PolarHBondContact OG-OD1 3.43Å; Y2172-N2176 WeakPolarHBondContact CD2-ND2 3.31Å; Y2172-N2176 HydrophobicContact CE1-CB 4.49Å; Y2172-N2176 WeakPolarHBondContact CE1-ND2 3.43Å; Y2172-N2176 VanDerWaalsContact CE2-ND2 3.3Å; Y2172-N2176 WeakPolarHBondContact CE2-ND2 3.4Å; Y2172-N2176 VanDerWaalsContact CZ-ND2 3.26Å; Y2172-N2176 WeakPolarHBondContact O-CB 3.18Å; Y2172-N2176 PolarHBondContact O-N 3.11Å; Y2172-N2176 PolarHBondContact O-ND2 2.93Å; G2173-N2176 CarbonylContact O-C 3.59Å; N2176-N2178 PolarHBondContact O-N 3.07Å; N2176-N2178 VanDerWaalsContact O-N 3.1Å; N2176-S2179 WeakPolarHBondContact CB-OG 3.32Å; N2176-S2179 PolarHBondContact O-N 2.96Å; N2176-S2179 PolarHBondContact O-OG 3.15Å; N2176-S2179 VanDerWaalsContact O-OG 3.08Å
2177W92.6Very high92.3Very high38.75 Ų38.7536.6 Ų36.615%0.14718%0.184CC..G310 helixtrans-46.2-36.6-174.2-170.1-112.5000114.8L2137 G2173 L2174 V2175 S2179 I2180 L2334 R2335 A2521L2137-W2177 HydrophobicContact CD1-CB 4.5Å; L2137-W2177 HydrophobicContact CD1-CD2 4.3Å; L2137-W2177 HydrophobicContact CD1-CE3 4.09Å; L2137-W2177 HydrophobicContact CD1-CG 4.42Å; L2137-W2177 HydrophobicContact CD1-CZ3 4.25Å; G2173-W2177 VanDerWaalsContact O-CA 3.28Å; G2173-W2177 WeakPolarHBondContact O-CA 3.32Å; G2173-W2177 PolarHBondContact O-N 3.26Å; G2173-W2177 VanDerWaalsContact O-N 3.13Å; L2174-W2177 HydrophobicContact CD2-CE3 4.31Å; L2174-W2177 HydrophobicContact CD2-CZ3 3.97Å; L2174-W2177 PolarHBondContact O-N 3.08Å; V2175-W2177 VanDerWaalsContact C-N 3.29Å; V2175-W2177 PolarHBondContact O-N 3.06Å; W2177-S2179 VanDerWaalsContact C-N 3.33Å; W2177-S2179 PolarHBondContact O-N 3.13Å; W2177-I2180 HydrophobicContact CE3-CD1 4.3Å; W2177-L2334 VanDerWaalsContact CH2-C 3.42Å; W2177-L2334 HydrophobicContact CH2-CB 3.94Å; W2177-L2334 WeakPolarHBondContact CH2-O 3.44Å; W2177-L2334 HydrophobicContact CZ3-CB 3.98Å; W2177-R2335 HydrophobicContact CD2-CB 4.45Å; W2177-R2335 HydrophobicContact CE3-CB 4.49Å; W2177-R2335 VanDerWaalsContact CH2-CA 3.47Å; W2177-R2335 HydrophobicContact CH2-CB 4.34Å; W2177-R2335 VanDerWaalsContact CZ2-CA 3.41Å; W2177-R2335 HydrophobicContact CZ2-CB 4.04Å; W2177-R2335 HydrophobicContact CZ3-CB 4.38Å; W2177-R2335 VanDerWaalsContact NE1-NH1 3.12Å; W2177-R2335 WeakPolarHBondContact O-CD 3.33Å; W2177-R2335 VanDerWaalsContact O-CZ 3.24Å; W2177-R2335 PolarHBondContact O-NE 3Å; W2177-R2335 VanDerWaalsContact O-NE 3.13Å; W2177-R2335 PolarHBondContact O-NH1 3.14Å; W2177-A2521 HydrophobicContact CH2-CB 3.78Å; W2177-A2521 HydrophobicContact CZ2-CB 4.25Å; W2177-A2521 HydrophobicContact CZ3-CB 4.47Å
2178N91Very high91.9Very high118.25 Ų118.2538.4 Ų38.463%0.63219%0.194SC*.G310 helixtrans-83.4-17.3-175.4-66-30.9000114.3N2176 R2335N2176-N2178 PolarHBondContact O-N 3.07Å; N2176-N2178 VanDerWaalsContact O-N 3.1Å; N2178-R2335 PolarHBondContact O-NH1 3.08Å; N2178-R2335 PolarHBondContact OD1-NH1 2.99Å
2179S91.1Very high91.5Very high63.25 Ų63.2541.9 Ų41.944%0.44222%0.22SC..G310 helixtrans-94.54.9176.571.20000113.5N2176 W2177 E2181 W2186N2176-S2179 WeakPolarHBondContact CB-OG 3.32Å; N2176-S2179 PolarHBondContact O-N 2.96Å; N2176-S2179 PolarHBondContact O-OG 3.15Å; N2176-S2179 VanDerWaalsContact O-OG 3.08Å; W2177-S2179 VanDerWaalsContact C-N 3.33Å; W2177-S2179 PolarHBondContact O-N 3.13Å; S2179-E2181 PolarHBondContact O-N 3.15Å; S2179-E2181 VanDerWaalsContact O-N 3.11Å; S2179-W2186 VanDerWaalsContact O-CD1 3.23Å; S2179-W2186 PolarHBondContact O-NE1 3.17Å; S2179-W2186 VanDerWaalsContact O-NE1 3.11Å
2180I92.8Very high91.2Very high3 Ų342.2 Ų42.22%0.01522%0.221CC..  trans-73.7106.9173.9-56177.6000109.5G2173 W2177 W2186 A2331 M2332 R2335 Y2336G2173-I2180 WeakPolarHBondContact O-CD1 3.37Å; W2177-I2180 HydrophobicContact CE3-CD1 4.3Å; I2180-W2186 HydrophobicContact CB-CH2 4.45Å; I2180-W2186 HydrophobicContact CB-CZ2 4.22Å; I2180-W2186 HydrophobicContact CD1-CH2 4.5Å; I2180-W2186 HydrophobicContact CD1-CZ2 4.46Å; I2180-W2186 HydrophobicContact CG1-CH2 4.16Å; I2180-W2186 HydrophobicContact CG1-CZ2 3.67Å; I2180-W2186 HydrophobicContact CG2-CD2 4.32Å; I2180-W2186 HydrophobicContact CG2-CE3 4.28Å; I2180-W2186 HydrophobicContact CG2-CH2 4.14Å; I2180-W2186 HydrophobicContact CG2-CZ2 4.16Å; I2180-W2186 HydrophobicContact CG2-CZ3 4.19Å; I2180-A2331 HydrophobicContact CD1-CB 4.29Å; I2180-M2332 HydrophobicContact CG2-CB 4.4Å; I2180-M2332 HydrophobicContact CG2-CG 4.42Å; I2180-R2335 VanDerWaalsContact C-NH1 3.34Å; I2180-R2335 HydrophobicContact CB-CB 4.42Å; I2180-R2335 VanDerWaalsContact CB-CD 3.47Å; I2180-R2335 HydrophobicContact CB-CG 3.98Å; I2180-R2335 HydrophobicContact CD1-CB 3.99Å; I2180-R2335 HydrophobicContact CD1-CG 4.27Å; I2180-R2335 HydrophobicContact CG2-CB 4.11Å; I2180-R2335 HydrophobicContact CG2-CG 3.96Å; I2180-R2335 WeakPolarHBondContact O-CD 3.34Å; I2180-R2335 PolarHBondContact O-NE 3.02Å; I2180-R2335 VanDerWaalsContact O-NE 3.16Å; I2180-R2335 PolarHBondContact O-NH1 3.49Å; I2180-R2335 PolarHBondContact O-NH2 3.01Å; I2180-R2335 VanDerWaalsContact O-NH2 3.17Å; I2180-Y2336 HydrophobicContact CG2-CE2 4.48Å; I2180-Y2336 PolarHBondContact O-OH 3.38Å
2181E92.4Very high90.6Very high114.5 Ų114.542.4 Ų42.454%0.53522%0.222SC..  trans-96.4149.6172.8-65.2-169.6171.600111.4S2179 T2183 W2186 M2332S2179-E2181 PolarHBondContact O-N 3.15Å; S2179-E2181 VanDerWaalsContact O-N 3.11Å; E2181-T2183 HydrophobicContact CB-CG2 4.39Å; E2181-T2183 PolarHBondContact O-N 3.33Å; E2181-W2186 HydrophobicContact CB-CB 4.26Å; E2181-M2332 VanDerWaalsContact O-CE 3.31Å; E2181-M2332 WeakPolarHBondContact O-CE 3.45Å
2182P90.5Very high89.5Confident25.5 Ų25.544.2 Ų44.217%0.16623%0.234CC..SBendtrans-83.950.7-177.837.1-34.6000111Y2336 N2343 A2344 T2347P2182-Y2336 HydrophobicContact CB-CE2 3.98Å; P2182-Y2336 WeakPolarHBondContact CD-OH 3.45Å; P2182-N2343 HydrophobicContact CB-CB 3.97Å; P2182-N2343 HydrophobicContact CG-CB 4.04Å; P2182-A2344 HydrophobicContact CB-CB 3.81Å; P2182-T2347 WeakPolarHBondContact O-CG2 3.31Å
2183T90.8Very high88.2Confident40.5 Ų40.549.5 Ų49.525%0.24826%0.26CS..SBendtrans-127.1156-173.560.30000110.8E2181 E2185 W2186E2181-T2183 HydrophobicContact CB-CG2 4.39Å; E2181-T2183 PolarHBondContact O-N 3.33Å; T2183-E2185 VanDerWaalsContact C-N 3.31Å; T2183-W2186 WeakPolarHBondContact OG1-CB 3.29Å; T2183-W2186 PolarHBondContact OG1-N 3.31Å; T2183-W2186 VanDerWaalsContact OG1-N 3.16Å
2184Q86.9Confident86.8Confident80.5 Ų80.554.3 Ų54.338%0.37628%0.282SS..Hα-helixtrans-69.9-34.4170.4-121.9163.2-23.200110.8W2186 I2187 D2188 T2347 S2350Q2184-W2186 VanDerWaalsContact C-N 3.26Å; Q2184-W2186 PolarHBondContact O-N 3.22Å; Q2184-I2187 WeakPolarHBondContact O-CA 3.33Å; Q2184-I2187 WeakPolarHBondContact O-CB 3.32Å; Q2184-I2187 PolarHBondContact O-N 3.1Å; Q2184-I2187 VanDerWaalsContact O-N 3.08Å; Q2184-D2188 PolarHBondContact NE2-OD1 3.35Å; Q2184-D2188 PolarHBondContact NE2-OD2 3.11Å; Q2184-D2188 VanDerWaalsContact O-CG 3.29Å; Q2184-D2188 PolarHBondContact O-N 3.09Å; Q2184-T2347 HydrophobicContact CG-CG2 4.27Å; Q2184-S2350 PolarHBondContact NE2-OG 3.05Å; Q2184-S2350 VanDerWaalsContact NE2-OG 3.11Å
2185E86.4Confident85.4Confident154.25 Ų154.2555 Ų5572%0.72129%0.285SS*.Hα-helixtrans-56.2-37.1177.3-62.1175179.500112.5T2183 D2188 S2189T2183-E2185 VanDerWaalsContact C-N 3.31Å; E2185-D2188 PolarHBondContact O-N 3.25Å; E2185-S2189 VanDerWaalsContact O-CB 3.31Å; E2185-S2189 WeakPolarHBondContact O-CB 3.37Å; E2185-S2189 PolarHBondContact O-N 3.03Å
2186W91Very high84.1Confident20.25 Ų20.2556.9 Ų56.98%0.07729%0.293CS..Hα-helixtrans-64.5-42.2173.7177.778.8000112.7S2179 I2180 E2181 T2183 Q2184 D2188 S2189 C2328 A2331 M2332S2179-W2186 VanDerWaalsContact O-CD1 3.23Å; S2179-W2186 PolarHBondContact O-NE1 3.17Å; S2179-W2186 VanDerWaalsContact O-NE1 3.11Å; I2180-W2186 HydrophobicContact CB-CH2 4.45Å; I2180-W2186 HydrophobicContact CB-CZ2 4.22Å; I2180-W2186 HydrophobicContact CD1-CH2 4.5Å; I2180-W2186 HydrophobicContact CD1-CZ2 4.46Å; I2180-W2186 HydrophobicContact CG1-CH2 4.16Å; I2180-W2186 HydrophobicContact CG1-CZ2 3.67Å; I2180-W2186 HydrophobicContact CG2-CD2 4.32Å; I2180-W2186 HydrophobicContact CG2-CE3 4.28Å; I2180-W2186 HydrophobicContact CG2-CH2 4.14Å; I2180-W2186 HydrophobicContact CG2-CZ2 4.16Å; I2180-W2186 HydrophobicContact CG2-CZ3 4.19Å; E2181-W2186 HydrophobicContact CB-CB 4.26Å; T2183-W2186 WeakPolarHBondContact OG1-CB 3.29Å; T2183-W2186 PolarHBondContact OG1-N 3.31Å; T2183-W2186 VanDerWaalsContact OG1-N 3.16Å; Q2184-W2186 VanDerWaalsContact C-N 3.26Å; Q2184-W2186 PolarHBondContact O-N 3.22Å; W2186-D2188 VanDerWaalsContact C-N 3.28Å; W2186-D2188 PolarHBondContact O-N 2.95Å; W2186-S2189 PolarHBondContact O-N 3.06Å; W2186-S2189 PolarHBondContact O-OG 3.19Å; W2186-C2328 HydrophobicContact CH2-CB 4.34Å; W2186-C2328 HydrophobicContact CZ3-CB 3.99Å; W2186-A2331 HydrophobicContact CH2-CB 4.38Å; W2186-M2332 HydrophobicContact CE3-CE 3.61Å; W2186-M2332 HydrophobicContact CZ3-CB 4.46Å; W2186-M2332 HydrophobicContact CZ3-CE 4.03Å
2187I87.9Confident82.6Confident2.75 Ų2.7561.4 Ų61.41%0.01431%0.314CS..Hα-helixtrans-64-45177.8-59.4176.8000109.8Q2184 S2189 Y2190 L2325 C2328 M2332 L2351Q2184-I2187 WeakPolarHBondContact O-CA 3.33Å; Q2184-I2187 WeakPolarHBondContact O-CB 3.32Å; Q2184-I2187 PolarHBondContact O-N 3.1Å; Q2184-I2187 VanDerWaalsContact O-N 3.08Å; I2187-S2189 VanDerWaalsContact C-N 3.3Å; I2187-S2189 PolarHBondContact O-N 3.13Å; I2187-Y2190 PolarHBondContact O-N 3.13Å; I2187-L2325 HydrophobicContact CG2-CD2 3.53Å; I2187-C2328 HydrophobicContact CG1-CB 4.41Å; I2187-C2328 HydrophobicContact CG2-CB 3.98Å; I2187-M2332 HydrophobicContact CD1-CE 3.89Å; I2187-M2332 HydrophobicContact CG1-CE 3.8Å; I2187-L2351 HydrophobicContact CD1-CD1 3.85Å
2188D85.2Confident81Confident54.5 Ų54.565.5 Ų65.529%0.29133%0.33SS..Hα-helixtrans-65.2-33.5178.6-65-26.2000111.6Q2184 E2185 W2186 Y2190 I2191 F2196 Y2365Q2184-D2188 PolarHBondContact NE2-OD1 3.35Å; Q2184-D2188 PolarHBondContact NE2-OD2 3.11Å; Q2184-D2188 VanDerWaalsContact O-CG 3.29Å; Q2184-D2188 PolarHBondContact O-N 3.09Å; E2185-D2188 PolarHBondContact O-N 3.25Å; W2186-D2188 VanDerWaalsContact C-N 3.28Å; W2186-D2188 PolarHBondContact O-N 2.95Å; D2188-Y2190 VanDerWaalsContact C-N 3.28Å; D2188-Y2190 PolarHBondContact O-N 3.03Å; D2188-Y2190 VanDerWaalsContact O-N 3.15Å; D2188-I2191 PolarHBondContact O-N 3.28Å; D2188-I2191 VanDerWaalsContact O-N 3.11Å; D2188-F2196 HydrophobicContact CB-CZ 4.47Å; D2188-Y2365 HydrophobicContact CB-CE2 4.33Å
2189S86.8Confident79.6Confident85.75 Ų85.7560.3 Ų60.360%0.630%0.301SS*.Hα-helixtrans-64.3-21.1-179.478.10000115.3E2185 W2186 I2187 I2191E2185-S2189 VanDerWaalsContact O-CB 3.31Å; E2185-S2189 WeakPolarHBondContact O-CB 3.37Å; E2185-S2189 PolarHBondContact O-N 3.03Å; W2186-S2189 PolarHBondContact O-N 3.06Å; W2186-S2189 PolarHBondContact O-OG 3.19Å; I2187-S2189 VanDerWaalsContact C-N 3.3Å; I2187-S2189 PolarHBondContact O-N 3.13Å; S2189-I2191 VanDerWaalsContact C-N 3.29Å; S2189-I2191 PolarHBondContact O-N 3.1Å
2190Y86.3Confident78.2Confident8 Ų859.8 Ų59.83%0.03130%0.298CS..THydrogen-bonded Turntrans-79.5-20.1176.7-179-103.9000112.7L2148 L2149 P2150 A2169 Y2172 I2187 D2188 P2192 I2324L2148-Y2190 PolarHBondContact O-OH 3.21Å; L2149-Y2190 HydrophobicContact CD2-CD2 4.39Å; L2149-Y2190 HydrophobicContact CD2-CE2 4.15Å; P2150-Y2190 HydrophobicContact CG-CE1 4.29Å; A2169-Y2190 WeakPolarHBondContact CA-OH 3.4Å; A2169-Y2190 HydrophobicContact CB-CD1 4.32Å; A2169-Y2190 HydrophobicContact CB-CE1 3.6Å; A2169-Y2190 PolarHBondContact N-OH 3.25Å; Y2172-Y2190 AromaticContact CD1-CD2 3.51Å; Y2172-Y2190 HydrophobicContact CD1-CD2 3.51Å; Y2172-Y2190 AromaticContact CD1-CE2 3.54Å; Y2172-Y2190 HydrophobicContact CD1-CE2 3.54Å; Y2172-Y2190 HydrophobicContact CD2-CD2 4.29Å; Y2172-Y2190 AromaticContact CD2-CE2 3.75Å; Y2172-Y2190 HydrophobicContact CD2-CE2 3.75Å; Y2172-Y2190 AromaticContact CE1-CD2 3.57Å; Y2172-Y2190 HydrophobicContact CE1-CD2 3.57Å; Y2172-Y2190 AromaticContact CE1-CE2 3.93Å; Y2172-Y2190 HydrophobicContact CE1-CE2 3.99Å; Y2172-Y2190 HydrophobicContact CE2-CD2 4.32Å; Y2172-Y2190 HydrophobicContact CE2-CE2 4.16Å; Y2172-Y2190 AromaticContact CG-CD2 3.9Å; Y2172-Y2190 HydrophobicContact CG-CD2 3.9Å; Y2172-Y2190 AromaticContact CG-CE2 3.41Å; Y2172-Y2190 HydrophobicContact CG-CE2 3.41Å; Y2172-Y2190 VanDerWaalsContact CG-CE2 3.45Å; Y2172-Y2190 AromaticContact CZ-CD2 3.98Å; I2187-Y2190 PolarHBondContact O-N 3.13Å; D2188-Y2190 VanDerWaalsContact C-N 3.28Å; D2188-Y2190 PolarHBondContact O-N 3.03Å; D2188-Y2190 VanDerWaalsContact O-N 3.15Å; Y2190-P2192 WeakPolarHBondContact O-CD 3.45Å; Y2190-I2324 HydrophobicContact CD1-CG2 3.63Å; Y2190-I2324 HydrophobicContact CE1-CG2 3.82Å
2191I82.2Confident76.6Confident8.5 Ų8.565.3 Ų65.34%0.04432%0.324CS..SBendtrans-90.1121.3-176.5-62.5147.3000108.9D2188 S2189 E2193 F2195 F2196 Y2321 I2324 L2325D2188-I2191 PolarHBondContact O-N 3.28Å; D2188-I2191 VanDerWaalsContact O-N 3.11Å; S2189-I2191 VanDerWaalsContact C-N 3.29Å; S2189-I2191 PolarHBondContact O-N 3.1Å; I2191-E2193 PolarHBondContact O-N 3.22Å; I2191-F2195 HydrophobicContact CG2-CB 4.16Å; I2191-F2195 HydrophobicContact CG2-CD1 3.88Å; I2191-F2195 HydrophobicContact CG2-CE1 4.26Å; I2191-F2195 HydrophobicContact CG2-CG 4.25Å; I2191-F2196 HydrophobicContact CB-CE2 3.93Å; I2191-F2196 HydrophobicContact CB-CZ 4.13Å; I2191-F2196 HydrophobicContact CD1-CZ 4.27Å; I2191-F2196 HydrophobicContact CG2-CD2 4.21Å; I2191-F2196 HydrophobicContact CG2-CE1 4.37Å; I2191-F2196 HydrophobicContact CG2-CE2 3.49Å; I2191-F2196 VanDerWaalsContact CG2-CE2 3.46Å; I2191-F2196 HydrophobicContact CG2-CZ 3.68Å; I2191-F2196 VanDerWaalsContact CG2-CZ 3.47Å; I2191-Y2321 HydrophobicContact CD1-CD2 4.35Å; I2191-Y2321 HydrophobicContact CD1-CE2 3.67Å; I2191-Y2321 HydrophobicContact CG1-CE2 4.24Å; I2191-Y2321 HydrophobicContact CG2-CE2 4.39Å; I2191-I2324 HydrophobicContact CD1-CG2 4.44Å; I2191-I2324 HydrophobicContact CG1-CG2 4.05Å; I2191-L2325 HydrophobicContact CD1-CD2 4.24Å
2192P73.9Confident74.8Confident38 Ų3862.4 Ų62.425%0.24732%0.316CS..  trans-60.9133.9-179-23.633.3000112.3P2150 Y2190 Q2194 F2195P2150-P2192 HydrophobicContact CG-CG 3.96Å; Y2190-P2192 WeakPolarHBondContact O-CD 3.45Å; P2192-Q2194 PolarHBondContact O-N 3.31Å; P2192-Q2194 VanDerWaalsContact O-N 3.1Å; P2192-F2195 HydrophobicContact CB-CD2 3.85Å; P2192-F2195 HydrophobicContact CB-CE2 3.98Å; P2192-F2195 HydrophobicContact CG-CD2 4Å; P2192-F2195 HydrophobicContact CG-CE2 3.69Å; P2192-F2195 WeakPolarHBondContact O-CB 3.36Å; P2192-F2195 WeakPolarHBondContact O-CD2 3.43Å; P2192-F2195 PolarHBondContact O-N 3.14Å
2193E67.4Low73.1Confident158.5 Ų158.563.1 Ų63.174%0.74132%0.318SS*.Hα-helixtrans-53.3-35.6-177.8-62.2-178.3153.800113.2I2191 F2195 F2196 E2197I2191-E2193 PolarHBondContact O-N 3.22Å; E2193-F2195 PolarHBondContact O-N 3.17Å; E2193-F2195 VanDerWaalsContact O-N 3.12Å; E2193-F2196 PolarHBondContact O-N 3.14Å; E2193-E2197 PolarHBondContact O-N 3.27Å; E2193-E2197 VanDerWaalsContact O-N 3.12Å
2194Q63Low70.9Confident101 Ų10170.1 Ų70.147%0.47234%0.34SS..Hα-helixtrans-56.7-27.4176.9-61.2172.516.300113.3S2152 P2192 R2198S2152-Q2194 VanDerWaalsContact CB-OE1 3.32Å; S2152-Q2194 PolarHBondContact O-OE1 2.99Å; P2192-Q2194 PolarHBondContact O-N 3.31Å; P2192-Q2194 VanDerWaalsContact O-N 3.1Å; Q2194-R2198 VanDerWaalsContact O-CB 3.3Å; Q2194-R2198 WeakPolarHBondContact O-CB 3.44Å; Q2194-R2198 WeakPolarHBondContact O-CG 3.27Å; Q2194-R2198 PolarHBondContact O-N 3.21Å; Q2194-R2198 VanDerWaalsContact O-N 3.08Å
2195F66.4Low68.7Low19.25 Ų19.2571.6 Ų71.68%0.08436%0.357CS..Hα-helixtrans-66.1-46.2174.6-154.9-101.6000110.9L2154 L2157 I2191 P2192 E2193 E2197 R2198 L2199 I2317 Y2321L2154-F2195 HydrophobicContact CD2-CD2 3.69Å; L2154-F2195 HydrophobicContact CD2-CE2 4.04Å; L2157-F2195 HydrophobicContact CD1-CD2 4.17Å; L2157-F2195 HydrophobicContact CD1-CE1 3.31Å; L2157-F2195 HydrophobicContact CD1-CE2 4.07Å; L2157-F2195 HydrophobicContact CD1-CZ 3.21Å; L2157-F2195 HydrophobicContact CD2-CD2 4.42Å; L2157-F2195 HydrophobicContact CD2-CE2 4Å; L2157-F2195 HydrophobicContact CD2-CZ 4.44Å; I2191-F2195 HydrophobicContact CG2-CB 4.16Å; I2191-F2195 HydrophobicContact CG2-CD1 3.88Å; I2191-F2195 HydrophobicContact CG2-CE1 4.26Å; I2191-F2195 HydrophobicContact CG2-CG 4.25Å; P2192-F2195 HydrophobicContact CB-CD2 3.85Å; P2192-F2195 HydrophobicContact CB-CE2 3.98Å; P2192-F2195 HydrophobicContact CG-CD2 4Å; P2192-F2195 HydrophobicContact CG-CE2 3.69Å; P2192-F2195 WeakPolarHBondContact O-CB 3.36Å; P2192-F2195 WeakPolarHBondContact O-CD2 3.43Å; P2192-F2195 PolarHBondContact O-N 3.14Å; E2193-F2195 PolarHBondContact O-N 3.17Å; E2193-F2195 VanDerWaalsContact O-N 3.12Å; F2195-E2197 VanDerWaalsContact C-N 3.33Å; F2195-E2197 PolarHBondContact O-N 3.27Å; F2195-R2198 PolarHBondContact O-N 3.02Å; F2195-L2199 HydrophobicContact CB-CD1 4.5Å; F2195-L2199 HydrophobicContact CD1-CD1 3.72Å; F2195-L2199 HydrophobicContact CE1-CD1 3.45Å; F2195-L2199 VanDerWaalsContact CE1-CD1 3.47Å; F2195-L2199 HydrophobicContact CE1-CG 4.45Å; F2195-L2199 HydrophobicContact CE2-CD1 4.41Å; F2195-L2199 HydrophobicContact CG-CD1 4.49Å; F2195-L2199 HydrophobicContact CZ-CD1 4.07Å; F2195-L2199 VanDerWaalsContact O-CB 3.28Å; F2195-L2199 WeakPolarHBondContact O-CB 3.36Å; F2195-L2199 WeakPolarHBondContact O-CD1 3.45Å; F2195-L2199 VanDerWaalsContact O-CG 3.27Å; F2195-L2199 WeakPolarHBondContact O-CG 3.44Å; F2195-L2199 PolarHBondContact O-N 3.19Å; F2195-L2199 VanDerWaalsContact O-N 3.08Å; F2195-I2317 HydrophobicContact CE1-CG2 4.23Å; F2195-I2317 HydrophobicContact CE2-CG2 3.65Å; F2195-I2317 HydrophobicContact CZ-CG2 3.33Å; F2195-I2317 VanDerWaalsContact CZ-CG2 3.41Å; F2195-Y2321 HydrophobicContact CD1-CD2 4.23Å; F2195-Y2321 AromaticContact CE1-CD2 3.51Å; F2195-Y2321 HydrophobicContact CE1-CD2 3.69Å; F2195-Y2321 VanDerWaalsContact CE1-CD2 3.45Å; F2195-Y2321 HydrophobicContact CE1-CE2 4.19Å; F2195-Y2321 HydrophobicContact CE1-CG 4.29Å; F2195-Y2321 HydrophobicContact CZ-CD2 4.11Å; F2195-Y2321 HydrophobicContact CZ-CG 4.37Å
2196F66.8Low66.2Low39.75 Ų39.7574.5 Ų74.517%0.17436%0.361CS..Hα-helixtrans-69.1-39.8178.7-64.1-70.3000111.9D2188 I2191 E2193 L2199 S2200 Y2321 P2362 P2363 Y2365 F2366D2188-F2196 HydrophobicContact CB-CZ 4.47Å; I2191-F2196 HydrophobicContact CB-CE2 3.93Å; I2191-F2196 HydrophobicContact CB-CZ 4.13Å; I2191-F2196 HydrophobicContact CD1-CZ 4.27Å; I2191-F2196 HydrophobicContact CG2-CD2 4.21Å; I2191-F2196 HydrophobicContact CG2-CE1 4.37Å; I2191-F2196 HydrophobicContact CG2-CE2 3.49Å; I2191-F2196 VanDerWaalsContact CG2-CE2 3.46Å; I2191-F2196 HydrophobicContact CG2-CZ 3.68Å; I2191-F2196 VanDerWaalsContact CG2-CZ 3.47Å; E2193-F2196 PolarHBondContact O-N 3.14Å; F2196-L2199 PolarHBondContact O-N 3.4Å; F2196-S2200 VanDerWaalsContact O-CB 3.27Å; F2196-S2200 WeakPolarHBondContact O-CB 3.26Å; F2196-S2200 PolarHBondContact O-N 3.43Å; F2196-S2200 PolarHBondContact O-OG 3.37Å; F2196-Y2321 AromaticContact CE1-CE2 3.94Å; F2196-Y2321 HydrophobicContact CE1-CE2 4.12Å; F2196-Y2321 AromaticContact CZ-CE2 3.93Å; F2196-Y2321 HydrophobicContact CZ-CE2 4.16Å; F2196-P2362 HydrophobicContact CD1-CB 3.95Å; F2196-P2362 HydrophobicContact CD1-CG 4.1Å; F2196-P2362 HydrophobicContact CE1-CB 3.87Å; F2196-P2362 HydrophobicContact CE1-CG 3.82Å; F2196-P2363 HydrophobicContact CD1-CB 3.91Å; F2196-P2363 HydrophobicContact CD1-CG 3.79Å; F2196-P2363 HydrophobicContact CE1-CB 3.42Å; F2196-P2363 VanDerWaalsContact CE1-CB 3.42Å; F2196-P2363 HydrophobicContact CE1-CG 3.31Å; F2196-P2363 HydrophobicContact CZ-CB 4.11Å; F2196-P2363 HydrophobicContact CZ-CG 4.33Å; F2196-Y2365 AromaticContact CD2-CD2 3.85Å; F2196-Y2365 HydrophobicContact CD2-CD2 3.85Å; F2196-Y2365 HydrophobicContact CD2-CE2 4.29Å; F2196-Y2365 HydrophobicContact CD2-CG 4.28Å; F2196-Y2365 AromaticContact CE2-CD2 3.64Å; F2196-Y2365 HydrophobicContact CE2-CD2 3.64Å; F2196-Y2365 AromaticContact CE2-CE2 3.81Å; F2196-Y2365 HydrophobicContact CE2-CE2 3.81Å; F2196-Y2365 HydrophobicContact CE2-CG 4.49Å; F2196-Y2365 HydrophobicContact CG-CD2 4.39Å; F2196-Y2365 HydrophobicContact CZ-CD2 4.02Å; F2196-Y2365 HydrophobicContact CZ-CE2 4.37Å; F2196-F2366 HydrophobicContact CD1-CE2 4.39Å
2197E63.8Low63.4Low114 Ų11479.7 Ų79.753%0.53340%0.397SS..Hα-helixtrans-58.2-54.1175.8-67.8-171.8144.800111.2E2193 F2195 L2199 S2200 E2201E2193-E2197 PolarHBondContact O-N 3.27Å; E2193-E2197 VanDerWaalsContact O-N 3.12Å; F2195-E2197 VanDerWaalsContact C-N 3.33Å; F2195-E2197 PolarHBondContact O-N 3.27Å; E2197-L2199 VanDerWaalsContact C-N 3.33Å; E2197-L2199 PolarHBondContact O-N 3.15Å; E2197-S2200 WeakPolarHBondContact O-CA 3.46Å; E2197-S2200 WeakPolarHBondContact O-CB 3.37Å; E2197-S2200 PolarHBondContact O-N 3.21Å; E2197-S2200 VanDerWaalsContact O-N 3.13Å; E2197-S2200 PolarHBondContact O-OG 3.22Å; E2197-E2201 WeakPolarHBondContact O-CG 3.35Å; E2197-E2201 PolarHBondContact O-N 2.9Å
2198R59.1Low60.9Low126.5 Ų126.587.8 Ų87.848%0.47743%0.432SS..Hα-helixtrans-67.2-35.9-178.5-68.5-92.1177.985.42.1113.4S2152 L2154 Q2194 F2195 S2200 E2201 S2202S2152-R2198 PolarHBondContact O-NH1 2.9Å; L2154-R2198 HydrophobicContact CD1-CB 4.01Å; Q2194-R2198 VanDerWaalsContact O-CB 3.3Å; Q2194-R2198 WeakPolarHBondContact O-CB 3.44Å; Q2194-R2198 WeakPolarHBondContact O-CG 3.27Å; Q2194-R2198 PolarHBondContact O-N 3.21Å; Q2194-R2198 VanDerWaalsContact O-N 3.08Å; F2195-R2198 PolarHBondContact O-N 3.02Å; R2198-S2200 VanDerWaalsContact C-N 3.3Å; R2198-S2200 PolarHBondContact O-N 3.47Å; R2198-E2201 VanDerWaalsContact CD-OE2 3.27Å; R2198-E2201 WeakPolarHBondContact CD-OE2 3.4Å; R2198-E2201 IonicContact NE-OE2 2.58Å; R2198-E2201 PolarHBondContact NE-OE2 3.2Å; R2198-E2201 VanDerWaalsContact NE-OE2 3.08Å; R2198-E2201 PolarHBondContact O-N 3.27Å; R2198-S2202 WeakPolarHBondContact O-CB 3.31Å; R2198-S2202 PolarHBondContact O-N 2.85Å
2199L61.5Low58.4Low7.5 Ų7.593.4 Ų93.44%0.03946%0.462CS..Hα-helixtrans-60.5-42.5169.9-80.4172.1000110.9F2195 F2196 E2197 E2201 S2202 I2203 I2317 W2361 F2366F2195-L2199 HydrophobicContact CB-CD1 4.5Å; F2195-L2199 HydrophobicContact CD1-CD1 3.72Å; F2195-L2199 HydrophobicContact CE1-CD1 3.45Å; F2195-L2199 VanDerWaalsContact CE1-CD1 3.47Å; F2195-L2199 HydrophobicContact CE1-CG 4.45Å; F2195-L2199 HydrophobicContact CE2-CD1 4.41Å; F2195-L2199 HydrophobicContact CG-CD1 4.49Å; F2195-L2199 HydrophobicContact CZ-CD1 4.07Å; F2195-L2199 VanDerWaalsContact O-CB 3.28Å; F2195-L2199 WeakPolarHBondContact O-CB 3.36Å; F2195-L2199 WeakPolarHBondContact O-CD1 3.45Å; F2195-L2199 VanDerWaalsContact O-CG 3.27Å; F2195-L2199 WeakPolarHBondContact O-CG 3.44Å; F2195-L2199 PolarHBondContact O-N 3.19Å; F2195-L2199 VanDerWaalsContact O-N 3.08Å; F2196-L2199 PolarHBondContact O-N 3.4Å; E2197-L2199 VanDerWaalsContact C-N 3.33Å; E2197-L2199 PolarHBondContact O-N 3.15Å; L2199-E2201 VanDerWaalsContact C-N 3.29Å; L2199-E2201 PolarHBondContact O-N 2.74Å; L2199-S2202 PolarHBondContact O-N 3.21Å; L2199-I2203 HydrophobicContact CB-CD1 4.4Å; L2199-I2203 HydrophobicContact CD2-CD1 4.29Å; L2199-I2203 VanDerWaalsContact O-CB 3.26Å; L2199-I2203 WeakPolarHBondContact O-CB 3.39Å; L2199-I2203 VanDerWaalsContact O-CD1 3.3Å; L2199-I2203 WeakPolarHBondContact O-CD1 3.36Å; L2199-I2203 VanDerWaalsContact O-CG1 3.25Å; L2199-I2203 WeakPolarHBondContact O-CG1 3.36Å; L2199-I2203 PolarHBondContact O-N 3.06Å; L2199-I2317 HydrophobicContact CD1-CG2 4.08Å; L2199-I2317 HydrophobicContact CD2-CB 4.3Å; L2199-I2317 HydrophobicContact CD2-CD1 4.06Å; L2199-I2317 HydrophobicContact CD2-CG2 3.98Å; L2199-I2317 HydrophobicContact CG-CD1 4.37Å; L2199-I2317 HydrophobicContact CG-CG2 4.11Å; L2199-W2361 HydrophobicContact CD1-CH2 4.08Å; L2199-W2361 HydrophobicContact CD1-CZ2 4.31Å; L2199-W2361 HydrophobicContact CD2-CH2 4.17Å; L2199-W2361 HydrophobicContact CD2-CZ2 4.16Å; L2199-F2366 HydrophobicContact CB-CZ 3.84Å
2200S60.6Low55.6Low53.75 Ų53.7598.3 Ų98.338%0.37648%0.475SS..Hα-helixtrans-66.9-35.9177.784.30000113.3F2196 E2197 R2198 I2203 R2204F2196-S2200 VanDerWaalsContact O-CB 3.27Å; F2196-S2200 WeakPolarHBondContact O-CB 3.26Å; F2196-S2200 PolarHBondContact O-N 3.43Å; F2196-S2200 PolarHBondContact O-OG 3.37Å; E2197-S2200 WeakPolarHBondContact O-CA 3.46Å; E2197-S2200 WeakPolarHBondContact O-CB 3.37Å; E2197-S2200 PolarHBondContact O-N 3.21Å; E2197-S2200 VanDerWaalsContact O-N 3.13Å; E2197-S2200 PolarHBondContact O-OG 3.22Å; R2198-S2200 VanDerWaalsContact C-N 3.3Å; R2198-S2200 PolarHBondContact O-N 3.47Å; S2200-I2203 PolarHBondContact O-N 3.22Å; S2200-R2204 WeakPolarHBondContact O-CG 3.36Å; S2200-R2204 PolarHBondContact O-N 3.39Å
2201E58.9Low53Low118.667 Ų118.667103.3 Ų103.356%0.55551%0.51SS*.Hα-helixtrans-67.5-45.4174.3-69.4-178.714700111.6E2197 R2198 L2199 I2203 R2204E2197-E2201 WeakPolarHBondContact O-CG 3.35Å; E2197-E2201 PolarHBondContact O-N 2.9Å; R2198-E2201 VanDerWaalsContact CD-OE2 3.27Å; R2198-E2201 WeakPolarHBondContact CD-OE2 3.4Å; R2198-E2201 IonicContact NE-OE2 2.58Å; R2198-E2201 PolarHBondContact NE-OE2 3.2Å; R2198-E2201 VanDerWaalsContact NE-OE2 3.08Å; R2198-E2201 PolarHBondContact O-N 3.27Å; L2199-E2201 VanDerWaalsContact C-N 3.29Å; L2199-E2201 PolarHBondContact O-N 2.74Å; E2201-I2203 VanDerWaalsContact C-N 3.29Å; E2201-I2203 PolarHBondContact O-N 3.28Å; E2201-R2204 PolarHBondContact O-N 2.93Å
2202S55.2Low50.6Low54 Ų54108.7 Ų108.738%0.37855%0.546SS..Hα-helixtrans-67-22.2178.8-172.50000113.6R2198 L2199R2198-S2202 WeakPolarHBondContact O-CB 3.31Å; R2198-S2202 PolarHBondContact O-N 2.85Å; L2199-S2202 PolarHBondContact O-N 3.21Å
2203I55Low48.4Very low39.6667 Ų39.6667114.4 Ų114.420%0.20358%0.575CS.*Hα-helixtrans-90.5-12-177.6-73.5169.1000112.4L2199 S2200 E2201 P2205 W2361 P2363 F2366 I2382L2199-I2203 HydrophobicContact CB-CD1 4.4Å; L2199-I2203 HydrophobicContact CD2-CD1 4.29Å; L2199-I2203 VanDerWaalsContact O-CB 3.26Å; L2199-I2203 WeakPolarHBondContact O-CB 3.39Å; L2199-I2203 VanDerWaalsContact O-CD1 3.3Å; L2199-I2203 WeakPolarHBondContact O-CD1 3.36Å; L2199-I2203 VanDerWaalsContact O-CG1 3.25Å; L2199-I2203 WeakPolarHBondContact O-CG1 3.36Å; L2199-I2203 PolarHBondContact O-N 3.06Å; S2200-I2203 PolarHBondContact O-N 3.22Å; E2201-I2203 VanDerWaalsContact C-N 3.29Å; E2201-I2203 PolarHBondContact O-N 3.28Å; I2203-P2205 WeakPolarHBondContact O-CD 3.37Å; I2203-P2205 VanDerWaalsContact O-N 3.13Å; I2203-W2361 HydrophobicContact CD1-CZ2 4.38Å; I2203-P2363 HydrophobicContact CD1-CB 4.23Å; I2203-P2363 HydrophobicContact CD1-CG 3.75Å; I2203-P2363 VanDerWaalsContact CD1-CG 3.45Å; I2203-F2366 HydrophobicContact CB-CE1 4.47Å; I2203-F2366 HydrophobicContact CD1-CE1 3.6Å; I2203-F2366 HydrophobicContact CD1-CZ 3.67Å; I2203-I2382 HydrophobicContact CB-CD1 4.49Å; I2203-I2382 HydrophobicContact CD1-CG2 4.21Å; I2203-I2382 HydrophobicContact CG1-CD1 4.25Å; I2203-I2382 HydrophobicContact CG2-CD1 3.65Å; I2203-I2382 HydrophobicContact CG2-CG1 3.86Å
2204R44.8Very low46.6Very low186.667 Ų186.667113.8 Ų113.870%0.70458%0.581SS**SBendtrans-63.1122179.3-75.2-176.3-174.2-170.94.5111.3S2200 E2201 R2206S2200-R2204 WeakPolarHBondContact O-CG 3.36Å; S2200-R2204 PolarHBondContact O-N 3.39Å; E2201-R2204 PolarHBondContact O-N 2.93Å; R2204-R2206 PolarHBondContact O-N 3.13Å; R2204-R2206 VanDerWaalsContact O-N 3.17Å
2205P40.4Very low45Very low112.333 Ų112.333113.4 Ų113.473%0.72959%0.59SS**PPolyproline II helixtrans-66.3122.1178.325.7-32.6000110.3I2203I2203-P2205 WeakPolarHBondContact O-CD 3.37Å; I2203-P2205 VanDerWaalsContact O-N 3.13Å
2206R34.1Very low43.2Very low216 Ų216119.5 Ų119.582%0.81562%0.623SS**PPolyproline II helixtrans-63.7137.3169.3-70-173.9179.4178.62.2109.3R2204 K2208R2204-R2206 PolarHBondContact O-N 3.13Å; R2204-R2206 VanDerWaalsContact O-N 3.17Å; R2206-K2208 PolarHBondContact O-N 3.3Å
2207P32.4Very low41.5Very low129 Ų129125 Ų12584%0.83865%0.653SS**PPolyproline II helixtrans-63.3126.5-178.124.5-32.8000111L2209P2207-L2209 PolarHBondContact O-N 3.22Å; P2207-L2209 VanDerWaalsContact O-N 3.11Å
2208K35Very low39.7Very low171.667 Ų171.667130.5 Ų130.575%0.74667%0.669SS**PPolyproline II helixtrans-70.5116.2-178-66174.6-178.2170.40110.4R2206 Q2381R2206-K2208 PolarHBondContact O-N 3.3Å; K2208-Q2381 VanDerWaalsContact NZ-NE2 3.16Å
2209L32.2Very low38.2Very low173.333 Ų173.333128.5 Ų128.591%0.90868%0.679SS**PPolyproline II helixtrans-66.7142.7167.4-153.676.9000109.3P2207 S2211P2207-L2209 PolarHBondContact O-N 3.22Å; P2207-L2209 VanDerWaalsContact O-N 3.11Å; L2209-S2211 PolarHBondContact O-N 3.13Å
2210H28.8Very low36.6Very low189 Ų189134.3 Ų134.388%0.87572%0.715SS**PPolyproline II helixtrans-65.1134-169.1-73.4-8.4000114.3
2211S31.4Very low34.9Very low111.667 Ų111.667139.8 Ų139.878%0.78174%0.739SS**  trans-135.4143.3156.358.50000109.8L2209L2209-S2211 PolarHBondContact O-N 3.13Å
2212P31.6Very low33.3Very low123 Ų123137.3 Ų137.380%0.79975%0.746SS**  trans-88.7156-157.733.9-35.8000115.2
2213N27.1Very low31.9Very low158 Ų158143.6 Ų143.685%0.84577%0.769SS**  trans-22.1130.7170.8-59.7-18.8000118
2214V30.9Very low30.6Very low144.667 Ų144.667145.8 Ų145.888%0.87779%0.794SS**  trans-114113.4147.5179.30000108.7
2215S28Very low29.7Very low93.3333 Ų93.3333144 Ų14465%0.65380%0.798SS**  trans-96.9165.8163.917.40000111.2
2216D30Very low29.1Very low146.667 Ų146.667146.4 Ų146.478%0.78480%0.804SS**  trans-171.6101.5170.6-71.6-28.4000115.6R2218D2216-R2218 PolarHBondContact O-N 2.89Å
2217I31.2Very low28.8Very low155 Ų155140.6 Ų140.680%0.79580%0.796SS**  trans-139.991.6134.4-60.4167.6000113
2218R24.8Very low28.7Very low230.333 Ų230.333138.2 Ų138.287%0.86978%0.783SS**  trans-86.794.4147.8-177.1-179.1-75171.2-2.8113.6D2216D2216-R2218 PolarHBondContact O-N 2.89Å
2219A28.2Very low28.6Very low84.3333 Ų84.3333137.2 Ų137.270%0.69778%0.781SS**  trans-176.3148.7142.900000113
2220T27.1Very low28.7Very low129 Ų129135 Ų13579%0.79177%0.77SS**  trans-79.5125.8168.331.20000113.1G2222T2220-G2222 PolarHBondContact O-N 3.15Å
2221L26.1Very low29Very low169.333 Ų169.333131.3 Ų131.389%0.88776%0.756SS**  trans-67.9107.2162.1-108.8131.9000112.6
2222G25.8Very low29.3Very low67.3333 Ų67.3333130.1 Ų130.169%0.69474%0.744SS**  trans-88.5120.215100000111T2220T2220-G2222 PolarHBondContact O-N 3.15Å
2223Q25.6Very low29.4Very low184.667 Ų184.667129.3 Ų129.386%0.86373%0.73SS**  trans-90.7116.6171.6-80.9170.2-34.200111.3D2225Q2223-D2225 PolarHBondContact O-N 3.29Å
2224A27.6Very low29.8Very low87 Ų87125.8 Ų125.872%0.71971%0.711SS**  trans-57.3115.6145.100000110.4L2226A2224-L2226 PolarHBondContact O-N 2.94Å
2225D26Very low30.1Very low149 Ų149126.3 Ų126.380%0.79770%0.698SS**  trans-106.1134.1157.3-83.6-37.9000112.1Q2223 S2227Q2223-D2225 PolarHBondContact O-N 3.29Å; D2225-S2227 PolarHBondContact O-N 2.99Å
2226L26.7Very low30.3Very low161.333 Ų161.333125.7 Ų125.785%0.84569%0.693SS**PPolyproline II helixtrans-38.8123.4166-64.3163.2000113.9A2224 S2228A2224-L2226 PolarHBondContact O-N 2.94Å; L2226-S2228 PolarHBondContact O-N 3.09Å
2227S27.9Very low30.4Very low94.3333 Ų94.3333123.3 Ų123.366%0.6669%0.685SS**PPolyproline II helixtrans-25.3133.6156.5-169.30000115.1D2225D2225-S2227 PolarHBondContact O-N 2.99Å
2228S30.9Very low30.3Very low79.3333 Ų79.3333123.5 Ų123.556%0.55569%0.688SS**PPolyproline II helixtrans-87.2141156.558.80000111.5L2226 D2230L2226-S2228 PolarHBondContact O-N 3.09Å; S2228-D2230 PolarHBondContact O-N 3.18Å; S2228-D2230 PolarHBondContact OG-OD2 3.3Å
2229E32.6Very low30.5Very low149.667 Ų149.667120.6 Ų120.670%0.69968%0.684SS**G310 helixtrans-8334.8-175.6-61.7-172.3121.200113.1D2231 R2457E2229-D2231 VanDerWaalsContact C-N 3.29Å; E2229-D2231 PolarHBondContact O-N 3.06Å; E2229-D2231 VanDerWaalsContact O-N 3.16Å; E2229-R2457 IonicContact OE1-NH2 3.75Å; E2229-R2457 IonicContact OE2-CZ 3.15Å; E2229-R2457 IonicContact OE2-NH1 2.94Å; E2229-R2457 PolarHBondContact OE2-NH1 3.29Å; E2229-R2457 IonicContact OE2-NH2 2.68Å; E2229-R2457 PolarHBondContact OE2-NH2 2.82Å
2230D34.7Very low30.3Very low127 Ų127123.2 Ų123.268%0.67969%0.691SS**G310 helixtrans-100.7-11.4-168.3-73.5-42000116S2228 V2232 N2234S2228-D2230 PolarHBondContact O-N 3.18Å; S2228-D2230 PolarHBondContact OG-OD2 3.3Å; D2230-V2232 VanDerWaalsContact C-N 3.31Å; D2230-V2232 PolarHBondContact O-N 2.97Å; D2230-V2232 VanDerWaalsContact O-N 3.11Å; D2230-N2234 PolarHBondContact O-ND2 3.31Å
2231D35.8Very low30.2Very low111.333 Ų111.333125.8 Ų125.860%0.59569%0.692SS**  trans-86.349.6178.8-85.2-24.6000112.1E2229E2229-D2231 VanDerWaalsContact C-N 3.29Å; E2229-D2231 PolarHBondContact O-N 3.06Å; E2229-D2231 VanDerWaalsContact O-N 3.16Å
2232V37.1Very low30.2Very low87.6667 Ų87.6667123.9 Ų123.953%0.53169%0.687SS.*  trans-113.341.7177.7-164.50000110.6D2230 N2234 R2419D2230-V2232 VanDerWaalsContact C-N 3.31Å; D2230-V2232 PolarHBondContact O-N 2.97Å; D2230-V2232 VanDerWaalsContact O-N 3.11Å; V2232-N2234 PolarHBondContact O-N 3.03Å; V2232-R2419 HydrophobicContact CG2-CG 4.23Å
2233E33.9Very low30.2Very low105 Ų105128.1 Ų128.149%0.49169%0.694SS.*  trans-71.568.1170.6-63.2-172.7165.700115.3R1458 R2114R1458-E2233 WeakPolarHBondContact CB-OE1 3.31Å; R1458-E2233 WeakPolarHBondContact CB-OE2 3.49Å; R1458-E2233 VanDerWaalsContact NH1-C 3.35Å; R1458-E2233 PolarHBondContact NH1-O 3.4Å; R2114-E2233 WeakPolarHBondContact CD-OE1 3.43Å; R2114-E2233 IonicContact CZ-OE1 3.5Å; R2114-E2233 IonicContact NE-OE1 2.68Å; R2114-E2233 VanDerWaalsContact NH1-CD 3.29Å; R2114-E2233 IonicContact NH1-OE1 3.08Å; R2114-E2233 PolarHBondContact NH1-OE1 3.27Å; R2114-E2233 IonicContact NH1-OE2 3.81Å; R2114-E2233 PolarHBondContact NH1-OE2 3.3Å; R2114-E2233 VanDerWaalsContact NH1-OE2 3.1Å
2234N35Very low30.3Very low85.3333 Ų85.3333124.3 Ų124.346%0.45669%0.688SS.*  trans172.683.9-173.8-79.9-37.3000114.5R1458 D2230 V2232R1458-N2234 PolarHBondContact NH1-OD1 3.36Å; R1458-N2234 PolarHBondContact NH2-OD1 3.01Å; D2230-N2234 PolarHBondContact O-ND2 3.31Å; V2232-N2234 PolarHBondContact O-N 3.03Å
2235R36.9Very low30.2Very low155.667 Ų155.667126.7 Ų126.759%0.58769%0.688SS**  trans-146.688.1157.3-63.6-174.7178.4-172.2-6.9113.6E2158 L2159E2158-R2235 PolarHBondContact O-NH1 2.94Å; L2159-R2235 HydrophobicContact CD2-CB 4.42Å
2236C33Very low30.2Very low81.3333 Ų81.3333128.9 Ų128.955%0.5569%0.686SS.*  trans-113.9150.6173.5-850000109.2
2237P32.3Very low30.3Very low95.3333 Ų95.3333128.8 Ų128.862%0.61968%0.681SS**  trans-76.1144.7172.831.1-32.2000111.3L2159 Q2239L2159-P2237 HydrophobicContact CD1-CB 3.89Å; L2159-P2237 HydrophobicContact CD1-CG 4.35Å; P2237-Q2239 PolarHBondContact O-N 3.11Å; P2237-Q2239 VanDerWaalsContact O-N 3.07Å
2238D29.4Very low30.2Very low159.667 Ų159.667128.2 Ų128.285%0.85468%0.682SS**  trans-82130.3170.2-78.3-48.2000111.7
2239Q28.2Very low29.9Very low168.333 Ų168.333134.5 Ų134.579%0.78770%0.695SS**  trans-103.1129.6167.4-72.9-176.8-11.400109.3P2237 F2241P2237-Q2239 PolarHBondContact O-N 3.11Å; P2237-Q2239 VanDerWaalsContact O-N 3.07Å; Q2239-F2241 PolarHBondContact O-N 3.04Å
2240T24.1Very low29.6Very low139.667 Ų139.667131 Ų13186%0.85770%0.699SS**  trans-91.4116.8169.240.70000111.2T2242T2240-T2242 PolarHBondContact O-N 3.37Å
2241F25.6Very low29.2Very low184 Ų184136.7 Ų136.781%0.80771%0.711SS**  trans-86.9130.1172-92.7-98.7000111Q2239Q2239-F2241 PolarHBondContact O-N 3.04Å
2242T24.6Very low28.7Very low128.333 Ų128.333136.6 Ų136.679%0.78772%0.719SS**  trans-112.9122.4152.747.70000110T2240T2240-T2242 PolarHBondContact O-N 3.37Å
2243D25.5Very low28.3Very low155.667 Ų155.667135.9 Ų135.983%0.83272%0.723SS**  trans-89.1132.5141.5-88.1-40000113.6
2244S27.9Very low27.9Very low105.333 Ų105.333140.9 Ų140.974%0.73774%0.738SS**  trans-144.8116.1164.285.90000113
2245L25.5Very low27.6Very low137.667 Ų137.667142.7 Ų142.772%0.72175%0.748SS**  20.4126.3126.4-66.9161.8000116.5
2246Y27.5Very low27.1Very low195 Ų195146.6 Ų146.677%0.76576%0.763SS**  -167.3131.6108.1-95.5-64.1000113.9
2247H27.6Very low26.8Very low159.333 Ų159.333146.3 Ų146.374%0.73877%0.774SS**  trans48.9131.8151.1-62.4-41000120.8
2248A25.7Very low26.5Very low81 Ų81153.6 Ų153.667%0.66979%0.789SS**  cis106.4142.111.400000114.2
2249Y25Very low26.3Very low212.667 Ų212.667157.1 Ų157.183%0.83479%0.79SS**  trans143.3142.5160.7-80-86.4000116.3Q2280Y2249-Q2280 VanDerWaalsContact CE1-NE2 3.33Å; Y2249-Q2280 PolarHBondContact OH-NE2 3.13Å
2250G27.3Very low26.3Very low75.3333 Ų75.3333154.2 Ų154.278%0.77779%0.788SS**  trans166.376.4163.400000114.6
2251R25.5Very low26.5Very low246.667 Ų246.667153 Ų15393%0.93178%0.781SS**  trans-31.6134156.4-86.3-177.5178.2179.90.5116
2252S26.1Very low26.6Very low109.667 Ų109.667151.9 Ų151.977%0.76778%0.782SS**  135.2142.8127.2-156.20000115.8
2253A26.9Very low26.7Very low73.6667 Ų73.6667150.6 Ų150.661%0.60978%0.779SS**  trans-122.9153.3131.900000114.9
2254Y26.6Very low26.7Very low208.333 Ų208.333150.3 Ų150.382%0.81778%0.777SS**  trans170.7135.8142.6-84.7-60.1000116.6
2255N28.3Very low26.8Very low124.333 Ų124.333152 Ų15267%0.66578%0.783SS**  trans74.5119.1147-66.7-42.5000119.4
2256R26.5Very low26.7Very low237.667 Ų237.667156.6 Ų156.690%0.89779%0.79SS**  97.312457.9-82.5173.9-164.1-172.74.4112.8
2257G26.3Very low26.7Very low75.6667 Ų75.6667150.8 Ų150.878%0.7879%0.79SS**  127.1123.381.900000114.8
2258R25.9Very low26.6Very low247 Ų247154.1 Ų154.193%0.93280%0.796SS**  trans-158125143.2-116.2179.8-174-148.72.1114.7
2259R26.3Very low26.7Very low234.333 Ų234.333156.1 Ų156.188%0.88480%0.802SS**  trans-86.3135.9139.8-104.9-178.4-164.6-171.91.4113.9
2260S28.6Very low26.7Very low106.333 Ų106.333152.4 Ų152.474%0.74480%0.801SS**  trans169.4133141.987.70000113.4
2261T27Very low26.6Very low115.333 Ų115.333160 Ų16071%0.70881%0.807SS**  cis160.1140.4-27.237.40000111.4S2263T2261-S2263 PolarHBondContact O-N 3.45Å
2262L27.8Very low26.6Very low160 Ų160159.3 Ų159.384%0.83880%0.804SS**  trans59.2119.9146.2-68.2156.3000117.6
2263S27.1Very low26.4Very low101 Ų101158.9 Ų158.971%0.70680%0.801SS**  -166.9127.1112.458.60000114.9T2261 V2265T2261-S2263 PolarHBondContact O-N 3.45Å; S2263-V2265 PolarHBondContact O-N 2.57Å; S2263-V2265 VanDerWaalsContact O-N 3.14Å
2264N25.7Very low26.3Very low150 Ų150165.6 Ų165.680%0.80281%0.811SS**  trans-29.4137.5163.6-56.1-43.7000115.6
2265V28.7Very low26.2Very low141.667 Ų141.667165.8 Ų165.886%0.85981%0.81SS**  trans-140.3112.4153.1-175.60000111.1S2263 G2267S2263-V2265 PolarHBondContact O-N 2.57Å; S2263-V2265 VanDerWaalsContact O-N 3.14Å; V2265-G2267 VanDerWaalsContact C-N 3.25Å; V2265-G2267 PolarHBondContact O-N 3.22Å
2266R24.9Very low26.1Very low233.333 Ų233.333170 Ų17088%0.88182%0.818SS**  trans-62.696.3166.8-172.7-172.7-89.5-167.8-2.8113.6R2268R2266-R2268 PolarHBondContact O-N 3.17Å
2267G26.9Very low26Very low73.3333 Ų73.3333165.7 Ų165.776%0.75681%0.813SS**  trans-96.9120154.400000113.9V2265V2265-G2267 VanDerWaalsContact C-N 3.25Å; V2265-G2267 PolarHBondContact O-N 3.22Å
2268R24.9Very low26.1Very low229.333 Ų229.333169.5 Ų169.587%0.86581%0.814SS**  trans-111.4146.2166.8-96.4-179.1172.8-166.7-1.2111.3R2266 V2270R2266-R2268 PolarHBondContact O-N 3.17Å; R2268-V2270 PolarHBondContact O-N 2.79Å
2269P27.5Very low26Very low121.667 Ų121.667168 Ų16879%0.7981%0.808SS**  trans-78.5132.2176.932.4-33.4000110.9R2271P2269-R2271 PolarHBondContact O-N 3.06Å; P2269-R2271 VanDerWaalsContact O-N 3.08Å
2270V26.7Very low26.1Very low135.333 Ų135.333164.4 Ų164.482%0.8280%0.801SS**  trans-97.2120174.91780000109.4R2268 R2272R2268-V2270 PolarHBondContact O-N 2.79Å; V2270-R2272 PolarHBondContact O-N 3.16Å
2271R24.9Very low25.9Very low235 Ų235170.8 Ų170.889%0.88781%0.809SS**  trans-70.1125172-70.2175.4172.3168.6-4.7110.5P2269 S2273P2269-R2271 PolarHBondContact O-N 3.06Å; P2269-R2271 VanDerWaalsContact O-N 3.08Å; R2271-S2273 VanDerWaalsContact C-N 3.31Å; R2271-S2273 PolarHBondContact O-N 3.12Å; R2271-S2273 VanDerWaalsContact O-N 3.11Å
2272R24.1Very low25.9Very low232 Ų232170.2 Ų170.288%0.87581%0.81SS**  trans-96.3115.5161.2-80.6168.1178.9-179.90.1109.3V2270 R2274V2270-R2272 PolarHBondContact O-N 3.16Å; R2272-R2274 PolarHBondContact O-N 3.42Å; R2272-R2274 VanDerWaalsContact O-N 3.1Å
2273S23.9Very low25.8Very low102 Ų102171.2 Ų171.271%0.71381%0.81SS**  101.4108.8126-171.80000112R2271R2271-S2273 VanDerWaalsContact C-N 3.31Å; R2271-S2273 PolarHBondContact O-N 3.12Å; R2271-S2273 VanDerWaalsContact O-N 3.11Å
2274R24.6Very low25.9Very low213.333 Ų213.333175.9 Ų175.981%0.80582%0.821SS**  trans-138.6110.7157.3-75.3-171.1179.1178.2-0.8112.1R2272 Y2276R2272-R2274 PolarHBondContact O-N 3.42Å; R2272-R2274 VanDerWaalsContact O-N 3.1Å; R2274-Y2276 HydrophobicContact CB-CD2 4.39Å; R2274-Y2276 HydrophobicContact CB-CE2 4.1Å
2275R23.5Very low26Very low214 Ų214177.4 Ų177.481%0.80882%0.823SS**  trans-32.2134.3149.8-63.6179.5-179.5175.1-2.4111.2D2277R2275-D2277 PolarHBondContact O-N 3.35Å
2276Y26.8Very low25.8Very low210.667 Ų210.667175.7 Ų175.783%0.82682%0.817SS**  trans-92.2107.5162.5-78.2-84.3000108.8R2274 I2278R2274-Y2276 HydrophobicContact CB-CD2 4.39Å; R2274-Y2276 HydrophobicContact CB-CE2 4.1Å; Y2276-I2278 PolarHBondContact O-N 2.88Å; Y2276-I2278 VanDerWaalsContact O-N 3.1Å
2277D24.4Very low26.1Very low147.333 Ų147.333172.3 Ų172.379%0.78882%0.815SS**  trans-92.7125.2163.9-80.8-56.7000108.3R2275 R2279R2275-D2277 PolarHBondContact O-N 3.35Å; D2277-R2279 VanDerWaalsContact C-N 3.34Å; D2277-R2279 PolarHBondContact O-N 2.89Å
2278I28.7Very low26.2Very low156 Ų156174.4 Ų174.480%0.881%0.813SS**  trans-92.4110.9-176.3-65.5170.7000109.5Y2276Y2276-I2278 PolarHBondContact O-N 2.88Å; Y2276-I2278 VanDerWaalsContact O-N 3.1Å
2279R23.5Very low26.2Very low216 Ų216169.9 Ų169.982%0.81581%0.806SS**  trans170.7132.1161.3-88.4165.2-179.5-148.6-0.4112.7D2277D2277-R2279 VanDerWaalsContact C-N 3.34Å; D2277-R2279 PolarHBondContact O-N 2.89Å
2280Q26.9Very low26.3Very low159.333 Ų159.333170.8 Ų170.875%0.74580%0.804SS**  trans96.4118.9170.4-79.8171.2-2600112.9R2020 Y2249R2020-Q2280 PolarHBondContact NH1-O 3.4Å; Y2249-Q2280 VanDerWaalsContact CE1-NE2 3.33Å; Y2249-Q2280 PolarHBondContact OH-NE2 3.13Å
2281W25.3Very low26.5Very low239.667 Ų239.667172.4 Ų172.491%0.90881%0.807SS**  141.2102.5117.9-76.19.3000112.9
2282S26.6Very low26.6Very low103.667 Ų103.667170.6 Ų170.673%0.72581%0.805SS**  trans-136.1142.1157.624.90000111.7
2283E26.6Very low26.7Very low180 Ų180164.2 Ų164.284%0.84180%0.802SS**  trans102123.9-179.3-82.1167.5-15800114.7
2284E28.9Very low27Very low200.667 Ų200.667165.5 Ų165.594%0.93881%0.806SS**  trans-171120.3143-108.7175.3-169.100111.3
2285E26.8Very low27.3Very low181.333 Ų181.333161.1 Ų161.185%0.84780%0.804SS**  trans-93.7155.9-176.2-68.5-175.6135.600111.7
2286S25.7Very low27.5Very low104.667 Ų104.667159.1 Ų159.173%0.73281%0.805SS**  trans77.1135.513164.30000115.6
2287I30.5Very low27.6Very low162 Ų162157.3 Ų157.383%0.83180%0.801SS**  trans177.9106.5152.3-66.7167000108.7
2288V29.3Very low27.8Very low118.333 Ų118.333157 Ų15772%0.71780%0.799SS**  78.9120.994.7169.10000112.6
2289D26Very low27.9Very low135 Ų135158 Ų15872%0.72280%0.801SS**  trans60.9125.4150.5-75.3-0.5000122.3
2290N28Very low28Very low140.333 Ų140.333152.7 Ų152.775%0.7580%0.796SS**  trans76100.6151.1-58.8-49.6000118.8
2291I31Very low28Very low169.667 Ų169.667151.9 Ų151.987%0.8779%0.79SS**  -171.4138.1112.2-90.4150.1000110.5
2292K27.8Very low28.2Very low195.667 Ų195.667146.5 Ų146.585%0.85178%0.779SS**  trans-38.4128.9175.1-65.8175.9177.7176.10116.3V2294K2292-V2294 PolarHBondContact O-N 3.3Å
2293A25.5Very low28.5Very low99.3333 Ų99.3333149.2 Ų149.282%0.82178%0.78SS**  trans-8.3126.2154.100000119.2
2294V30.3Very low28.6Very low128.333 Ų128.333148.5 Ų148.578%0.77877%0.774SS**  trans-139.2135.6133.8154.60000107K2292 E2296K2292-V2294 PolarHBondContact O-N 3.3Å; V2294-E2296 HydrophobicContact CG1-CG 4.14Å; V2294-E2296 PolarHBondContact O-N 3.13Å
2295P31.7Very low28.7Very low120.333 Ų120.333142.4 Ų142.478%0.78177%0.765SS**  trans-87.2117.7-171.432.9-33.3000113
2296E27.8Very low28.9Very low173.333 Ų173.333141 Ų14181%0.8176%0.763SS**  trans-118150.2171.4-86.7-174.7164.800112.5V2294V2294-E2296 HydrophobicContact CG1-CG 4.14Å; V2294-E2296 PolarHBondContact O-N 3.13Å
2297K29.1Very low28.9Very low172 Ų172143.2 Ų143.275%0.74876%0.761SS**  trans-68.2119.3-172.3-64.1164.3178.2150.40113.7E2299K2297-E2299 PolarHBondContact O-N 3.15Å
2298N28.5Very low29Very low141.667 Ų141.667141.9 Ų141.976%0.75876%0.756SS**  trans-73.860.8154.7-81.2-11000113.6C2300 F2301N2298-C2300 VanDerWaalsContact C-N 3.28Å; N2298-C2300 PolarHBondContact O-N 3.22Å; N2298-C2300 VanDerWaalsContact O-N 3.15Å; N2298-F2301 PolarHBondContact O-N 3.47Å
2299E29.3Very low29.4Very low177.667 Ų177.667145.6 Ų145.683%0.8376%0.762SS**Hα-helixtrans-69.447.2178.3-64.2-175.4157.600113K2297K2297-E2299 PolarHBondContact O-N 3.15Å
2300C26.2Very low30.5Very low104.333 Ų104.333145.4 Ų145.471%0.70576%0.761SS**THydrogen-bonded Turntrans-129.5-9.9175.6-157.80000113.8N2298N2298-C2300 VanDerWaalsContact C-N 3.28Å; N2298-C2300 PolarHBondContact O-N 3.22Å; N2298-C2300 VanDerWaalsContact O-N 3.15Å
2301F26.2Very low32Very low142.667 Ų142.667142.8 Ų142.863%0.62675%0.754SS**SBendtrans-98.7-24-179.3-100.8-95000114.3N2298 Q2303 F2304N2298-F2301 PolarHBondContact O-N 3.47Å; F2301-Q2303 VanDerWaalsContact C-N 3.3Å; F2301-Q2303 PolarHBondContact O-N 3.09Å; F2301-Q2303 VanDerWaalsContact O-N 3.07Å; F2301-F2304 PolarHBondContact O-N 3.09Å
2302D29.7Very low33.6Very low126 Ų126136.8 Ų136.867%0.67473%0.725SS**THydrogen-bonded Turntrans-70.6-11.4-176.6-69.6-42.7000114.4F2304 G2305D2302-F2304 VanDerWaalsContact C-N 3.35Å; D2302-F2304 PolarHBondContact O-N 2.91Å; D2302-G2305 PolarHBondContact O-N 3.41Å
2303Q33.9Very low35.8Very low160.667 Ų160.667131.5 Ų131.575%0.75171%0.706SS**THydrogen-bonded Turntrans-80.1-11.7179.6-13616831.900114F2301F2301-Q2303 VanDerWaalsContact C-N 3.3Å; F2301-Q2303 PolarHBondContact O-N 3.09Å; F2301-Q2303 VanDerWaalsContact O-N 3.07Å
2304F29.5Very low38.2Very low164 Ų164129.5 Ų129.572%0.71968%0.681SS**SBendtrans-123.773.4173.2-63.6-79.7000110.4F2301 D2302 L2306F2301-F2304 PolarHBondContact O-N 3.09Å; D2302-F2304 VanDerWaalsContact C-N 3.35Å; D2302-F2304 PolarHBondContact O-N 2.91Å; F2304-L2306 HydrophobicContact CB-CD1 4.28Å; F2304-L2306 PolarHBondContact O-N 3.2Å; F2304-L2306 VanDerWaalsContact O-N 3.13Å
2305G29.5Very low40.5Very low72.3333 Ų72.3333127.2 Ų127.275%0.74666%0.662SS**  trans-40.439.4-170.800000117.1D2302 H2307D2302-G2305 PolarHBondContact O-N 3.41Å; G2305-H2307 PolarHBondContact O-N 3.14Å
2306L30.7Very low42.8Very low153.667 Ų153.667123.3 Ų123.381%0.80564%0.64SS**  trans-79.554.4175.4-91.2151.1000111.9F2304F2304-L2306 HydrophobicContact CB-CD1 4.28Å; F2304-L2306 PolarHBondContact O-N 3.2Å; F2304-L2306 VanDerWaalsContact O-N 3.13Å
2307H26.1Very low45.3Very low150.333 Ų150.333115.1 Ų115.170%0.69660%0.602SS**  trans-122.452.4-176.1-128.1-67.2000114.3G2305G2305-H2307 PolarHBondContact O-N 3.14Å
2308N32.8Very low47.8Very low134.333 Ų134.333107 Ų10772%0.71857%0.566SS**  trans-141.5124.4158-98.6-28.6000110.8D2310 S2311N2308-D2310 PolarHBondContact O-N 3.46Å; N2308-S2311 WeakPolarHBondContact CB-OG 3.43Å; N2308-S2311 PolarHBondContact O-N 3.02Å; N2308-S2311 PolarHBondContact O-OG 3.36Å
2309K37.4Very low50.6Low195.667 Ų195.667102.6 Ų102.685%0.85154%0.543SS*.SBendtrans-85.9110.8175-75.9-178.2175.9-1790111.5S2311K2309-S2311 PolarHBondContact O-N 2.95Å
2310D48.4Very low53.4Low131 Ų13194.3 Ų94.370%0.70150%0.504SS*.SBendtrans66.532.4169.8-56.2-56.2000115.1R2155 N2308 V2312R2155-D2310 IonicContact NH2-OD1 3.75Å; R2155-D2310 PolarHBondContact NH2-OD1 2.72Å; N2308-D2310 PolarHBondContact O-N 3.46Å; D2310-V2312 PolarHBondContact O-N 3.02Å
2311S60.1Low56.3Low85.3333 Ų85.333389.9 Ų89.960%0.59747%0.473SS*.  trans-87.6111.4167.457.50000110.6N2308 K2309 D2313N2308-S2311 WeakPolarHBondContact CB-OG 3.43Å; N2308-S2311 PolarHBondContact O-N 3.02Å; N2308-S2311 PolarHBondContact O-OG 3.36Å; K2309-S2311 PolarHBondContact O-N 2.95Å; S2311-D2313 PolarHBondContact O-N 3.21Å
2312V65.7Low59.3Low43.3333 Ų43.333383.1 Ų83.126%0.26344%0.443SS..  trans-67.3138.3172.4171.50000110.7L2154 E2158 D2310 I2314 I2317L2154-V2312 HydrophobicContact CB-CG1 4.43Å; L2154-V2312 HydrophobicContact CD1-CG1 4.23Å; L2154-V2312 HydrophobicContact CD2-CB 4.09Å; L2154-V2312 HydrophobicContact CD2-CG1 3.56Å; L2154-V2312 HydrophobicContact CD2-CG2 3.82Å; L2154-V2312 HydrophobicContact CG-CG1 4.27Å; E2158-V2312 VanDerWaalsContact OE1-CG1 3.3Å; E2158-V2312 WeakPolarHBondContact OE1-CG1 3.34Å; D2310-V2312 PolarHBondContact O-N 3.02Å; V2312-I2314 WeakPolarHBondContact O-CG1 3.34Å; V2312-I2314 PolarHBondContact O-N 2.99Å; V2312-I2317 HydrophobicContact CG1-CD1 3.17Å; V2312-I2317 HydrophobicContact CG1-CG1 4.29Å
2313D74.3Confident62.3Low85.6667 Ų85.666777.9 Ų77.946%0.45842%0.416SS..  trans-77.885180-114.6-16.6000111.3R1629 E2158 S2311 E2315 A2316 I2317R1629-D2313 IonicContact CZ-OD1 2.78Å; R1629-D2313 IonicContact CZ-OD2 3.36Å; R1629-D2313 IonicContact NH1-OD1 2.69Å; R1629-D2313 IonicContact NH1-OD2 3.28Å; R1629-D2313 PolarHBondContact NH1-OD2 2.95Å; R1629-D2313 IonicContact NH2-OD1 3.09Å; R1629-D2313 PolarHBondContact NH2-OD1 3.41Å; R1629-D2313 IonicContact NH2-OD2 2.69Å; R1629-D2313 PolarHBondContact NH2-OD2 3.36Å; R1629-D2313 VanDerWaalsContact NH2-OD2 3.1Å; E2158-D2313 PolarHBondContact OE1-N 2.73Å; S2311-D2313 PolarHBondContact O-N 3.21Å; D2313-E2315 PolarHBondContact O-N 3.24Å; D2313-E2315 VanDerWaalsContact O-N 3.12Å; D2313-E2315 WeakPolarHBondContact OD1-CB 3.27Å; D2313-E2315 PolarHBondContact OD1-N 3.47Å; D2313-E2315 VanDerWaalsContact OD1-N 3.09Å; D2313-A2316 HydrophobicContact CB-CB 4.02Å; D2313-A2316 PolarHBondContact O-N 3.07Å; D2313-A2316 VanDerWaalsContact O-N 3.1Å; D2313-A2316 PolarHBondContact OD1-N 3.43Å; D2313-I2317 WeakPolarHBondContact O-CD1 3.42Å; D2313-I2317 WeakPolarHBondContact O-CG1 3.16Å; D2313-I2317 PolarHBondContact O-N 3.07Å; D2313-I2317 VanDerWaalsContact O-N 3.13Å
2314I75.6Confident65.1Low56.6667 Ų56.666770.5 Ų70.529%0.29138%0.381SS..Hα-helixtrans-54.6-33.4-179.1-51.6177.5000111.7V2312 I2317 S2318 W2361 T2384V2312-I2314 WeakPolarHBondContact O-CG1 3.34Å; V2312-I2314 PolarHBondContact O-N 2.99Å; I2314-I2317 PolarHBondContact O-N 3.12Å; I2314-S2318 VanDerWaalsContact O-CB 3.25Å; I2314-S2318 WeakPolarHBondContact O-CB 3.37Å; I2314-S2318 PolarHBondContact O-N 3.01Å; I2314-S2318 PolarHBondContact O-OG 3.2Å; I2314-W2361 HydrophobicContact CG2-CH2 4.3Å; I2314-W2361 HydrophobicContact CG2-CZ2 4.11Å; I2314-T2384 HydrophobicContact CB-CG2 3.69Å; I2314-T2384 HydrophobicContact CG2-CG2 3.82Å
2315E77.3Confident68.1Low80 Ų8063.1 Ų63.137%0.37435%0.349SS..Hα-helixtrans-66.3-48.6177.5-172.5173.5171.800111.6R1629 D2313 I2317 S2318 L2319 L2386R1629-E2315 VanDerWaalsContact CZ-CD 3.43Å; R1629-E2315 IonicContact CZ-OE1 2.73Å; R1629-E2315 IonicContact CZ-OE2 2.89Å; R1629-E2315 IonicContact NE-OE2 3.14Å; R1629-E2315 PolarHBondContact NE-OE2 2.95Å; R1629-E2315 IonicContact NH1-OE1 3.43Å; R1629-E2315 PolarHBondContact NH1-OE1 2.95Å; R1629-E2315 IonicContact NH1-OE2 2.78Å; R1629-E2315 PolarHBondContact NH1-OE2 2.85Å; R1629-E2315 IonicContact NH2-OE1 3.77Å; R1629-E2315 PolarHBondContact NH2-OE1 2.75Å; R1629-E2315 IonicContact NH2-OE2 3.52Å; R1629-E2315 PolarHBondContact NH2-OE2 3.28Å; D2313-E2315 PolarHBondContact O-N 3.24Å; D2313-E2315 VanDerWaalsContact O-N 3.12Å; D2313-E2315 WeakPolarHBondContact OD1-CB 3.27Å; D2313-E2315 PolarHBondContact OD1-N 3.47Å; D2313-E2315 VanDerWaalsContact OD1-N 3.09Å; E2315-I2317 VanDerWaalsContact C-N 3.29Å; E2315-I2317 PolarHBondContact O-N 2.93Å; E2315-S2318 WeakPolarHBondContact CA-OG 3.42Å; E2315-S2318 PolarHBondContact O-N 3.22Å; E2315-S2318 VanDerWaalsContact O-N 3.13Å; E2315-S2318 PolarHBondContact O-OG 3.23Å; E2315-L2319 WeakPolarHBondContact O-CB 3.42Å; E2315-L2319 PolarHBondContact O-N 2.98Å; E2315-L2386 HydrophobicContact CG-CD2 4.01Å
2316A80.2Confident71.1Confident38.3333 Ų38.333359.7 Ų59.732%0.31731%0.314SS..Hα-helixtrans-58.8-42.7177.900000111.3D2313 L2319 A2320D2313-A2316 HydrophobicContact CB-CB 4.02Å; D2313-A2316 PolarHBondContact O-N 3.07Å; D2313-A2316 VanDerWaalsContact O-N 3.1Å; D2313-A2316 PolarHBondContact OD1-N 3.43Å; A2316-L2319 PolarHBondContact O-N 3.17Å; A2316-A2320 WeakPolarHBondContact O-CB 3.35Å; A2316-A2320 PolarHBondContact O-N 2.92Å
2317I80.8Confident74.1Confident2 Ų252.4 Ų52.41%0.0128%0.275CS..Hα-helixtrans-66-42176.4-61.9172.3000111.8L2154 L2157 F2195 L2199 V2312 D2313 I2314 E2315 L2319 A2320 Y2321 W2361L2154-I2317 HydrophobicContact CB-CD1 4.16Å; L2154-I2317 HydrophobicContact CD1-CD1 3.71Å; L2154-I2317 VanDerWaalsContact CD1-CD1 3.47Å; L2154-I2317 HydrophobicContact CD1-CG1 3.74Å; L2154-I2317 HydrophobicContact CD1-CG2 4.37Å; L2154-I2317 HydrophobicContact CD2-CD1 4.14Å; L2154-I2317 HydrophobicContact CG-CD1 4.01Å; L2154-I2317 HydrophobicContact CG-CG1 4.31Å; L2157-I2317 HydrophobicContact CD2-CB 4.25Å; L2157-I2317 HydrophobicContact CD2-CG1 4.09Å; L2157-I2317 HydrophobicContact CD2-CG2 4.25Å; F2195-I2317 HydrophobicContact CE1-CG2 4.23Å; F2195-I2317 HydrophobicContact CE2-CG2 3.65Å; F2195-I2317 HydrophobicContact CZ-CG2 3.33Å; F2195-I2317 VanDerWaalsContact CZ-CG2 3.41Å; L2199-I2317 HydrophobicContact CD1-CG2 4.08Å; L2199-I2317 HydrophobicContact CD2-CB 4.3Å; L2199-I2317 HydrophobicContact CD2-CD1 4.06Å; L2199-I2317 HydrophobicContact CD2-CG2 3.98Å; L2199-I2317 HydrophobicContact CG-CD1 4.37Å; L2199-I2317 HydrophobicContact CG-CG2 4.11Å; V2312-I2317 HydrophobicContact CG1-CD1 3.17Å; V2312-I2317 HydrophobicContact CG1-CG1 4.29Å; D2313-I2317 WeakPolarHBondContact O-CD1 3.42Å; D2313-I2317 WeakPolarHBondContact O-CG1 3.16Å; D2313-I2317 PolarHBondContact O-N 3.07Å; D2313-I2317 VanDerWaalsContact O-N 3.13Å; I2314-I2317 PolarHBondContact O-N 3.12Å; E2315-I2317 VanDerWaalsContact C-N 3.29Å; E2315-I2317 PolarHBondContact O-N 2.93Å; I2317-L2319 VanDerWaalsContact C-N 3.31Å; I2317-L2319 PolarHBondContact O-N 3.23Å; I2317-A2320 WeakPolarHBondContact O-CB 3.18Å; I2317-A2320 PolarHBondContact O-N 2.9Å; I2317-Y2321 WeakPolarHBondContact O-CB 3.3Å; I2317-Y2321 PolarHBondContact O-N 3.03Å; I2317-W2361 HydrophobicContact CG2-CH2 4.48Å
2318S81.9Confident77.4Confident0.333333 Ų0.33333345.3 Ų45.30%0.00224%0.243CC..Hα-helixtrans-65.2-34.4178.673.20000112.4I2314 E2315 L2322 L2386I2314-S2318 VanDerWaalsContact O-CB 3.25Å; I2314-S2318 WeakPolarHBondContact O-CB 3.37Å; I2314-S2318 PolarHBondContact O-N 3.01Å; I2314-S2318 PolarHBondContact O-OG 3.2Å; E2315-S2318 WeakPolarHBondContact CA-OG 3.42Å; E2315-S2318 PolarHBondContact O-N 3.22Å; E2315-S2318 VanDerWaalsContact O-N 3.13Å; E2315-S2318 PolarHBondContact O-OG 3.23Å; S2318-L2322 WeakPolarHBondContact O-CB 3.37Å; S2318-L2322 PolarHBondContact O-N 3.08Å; S2318-L2322 VanDerWaalsContact O-N 3.09Å; S2318-L2386 VanDerWaalsContact OG-CD1 3.26Å; S2318-L2386 WeakPolarHBondContact OG-CD1 3.43Å; S2318-L2386 WeakPolarHBondContact OG-CG 3.33Å
2319L87Confident80.3Confident51 Ų5138.9 Ų38.927%0.26721%0.208SC..Hα-helixtrans-72.3-41.2174.8-175.861.6000111.8P2162 E2315 A2316 I2317 L2322 N2323 L2386 T2390P2162-L2319 HydrophobicContact CB-CD2 4.1Å; P2162-L2319 HydrophobicContact CB-CG 4.09Å; P2162-L2319 HydrophobicContact CG-CD2 3.72Å; P2162-L2319 HydrophobicContact CG-CG 3.96Å; E2315-L2319 WeakPolarHBondContact O-CB 3.42Å; E2315-L2319 PolarHBondContact O-N 2.98Å; A2316-L2319 PolarHBondContact O-N 3.17Å; I2317-L2319 VanDerWaalsContact C-N 3.31Å; I2317-L2319 PolarHBondContact O-N 3.23Å; L2319-L2322 PolarHBondContact O-N 3.33Å; L2319-N2323 WeakPolarHBondContact O-CB 3.35Å; L2319-N2323 PolarHBondContact O-N 3.13Å; L2319-N2323 VanDerWaalsContact O-N 3.09Å; L2319-N2323 PolarHBondContact O-ND2 3.42Å; L2319-L2386 HydrophobicContact CB-CD2 4.2Å; L2319-L2386 HydrophobicContact CD1-CD2 4.28Å; L2319-T2390 HydrophobicContact CD1-CG2 3.9Å
2320A87.2Confident83.1Confident2.66667 Ų2.6666730 Ų302%0.02217%0.17CC..Hα-helixtrans-59.3-48.3172.500000111.8L2157 P2162 L2165 A2316 I2317 L2322 N2323 I2324L2157-A2320 HydrophobicContact CD1-CB 4.34Å; L2157-A2320 HydrophobicContact CD2-CB 3.88Å; L2157-A2320 HydrophobicContact CG-CB 4.2Å; P2162-A2320 HydrophobicContact CB-CB 4.45Å; L2165-A2320 HydrophobicContact CD1-CB 3.45Å; L2165-A2320 VanDerWaalsContact CD1-CB 3.45Å; A2316-A2320 WeakPolarHBondContact O-CB 3.35Å; A2316-A2320 PolarHBondContact O-N 2.92Å; I2317-A2320 WeakPolarHBondContact O-CB 3.18Å; I2317-A2320 PolarHBondContact O-N 2.9Å; A2320-L2322 PolarHBondContact O-N 2.84Å; A2320-N2323 PolarHBondContact O-N 3.07Å; A2320-I2324 WeakPolarHBondContact O-CG1 3.32Å; A2320-I2324 PolarHBondContact O-N 3.19Å
2321Y87.4Confident85.3Confident11.3333 Ų11.333323.7 Ų23.74%0.04414%0.137CC..Hα-helixtrans-60-45.2176.6-177.8-105.6000112.2I2191 F2195 F2196 I2317 N2323 I2324 L2325 W2360 W2361 P2362 P2363I2191-Y2321 HydrophobicContact CD1-CD2 4.35Å; I2191-Y2321 HydrophobicContact CD1-CE2 3.67Å; I2191-Y2321 HydrophobicContact CG1-CE2 4.24Å; I2191-Y2321 HydrophobicContact CG2-CE2 4.39Å; F2195-Y2321 HydrophobicContact CD1-CD2 4.23Å; F2195-Y2321 AromaticContact CE1-CD2 3.51Å; F2195-Y2321 HydrophobicContact CE1-CD2 3.69Å; F2195-Y2321 VanDerWaalsContact CE1-CD2 3.45Å; F2195-Y2321 HydrophobicContact CE1-CE2 4.19Å; F2195-Y2321 HydrophobicContact CE1-CG 4.29Å; F2195-Y2321 HydrophobicContact CZ-CD2 4.11Å; F2195-Y2321 HydrophobicContact CZ-CG 4.37Å; F2196-Y2321 AromaticContact CE1-CE2 3.94Å; F2196-Y2321 HydrophobicContact CE1-CE2 4.12Å; F2196-Y2321 AromaticContact CZ-CE2 3.93Å; F2196-Y2321 HydrophobicContact CZ-CE2 4.16Å; I2317-Y2321 WeakPolarHBondContact O-CB 3.3Å; I2317-Y2321 PolarHBondContact O-N 3.03Å; Y2321-N2323 VanDerWaalsContact C-N 3.34Å; Y2321-N2323 PolarHBondContact O-N 2.91Å; Y2321-I2324 PolarHBondContact O-N 3.06Å; Y2321-L2325 HydrophobicContact CD1-CD1 3.97Å; Y2321-L2325 HydrophobicContact CD1-CG 4.4Å; Y2321-L2325 HydrophobicContact CE1-CD1 3.47Å; Y2321-L2325 VanDerWaalsContact CE1-CD1 3.45Å; Y2321-L2325 HydrophobicContact CE1-CG 4.13Å; Y2321-L2325 HydrophobicContact CE2-CD2 4.35Å; Y2321-L2325 HydrophobicContact CE2-CG 4.37Å; Y2321-L2325 WeakPolarHBondContact O-CG 3.4Å; Y2321-L2325 PolarHBondContact O-N 2.9Å; Y2321-W2360 AromaticContact CD1-CE3 3.99Å; Y2321-W2360 HydrophobicContact CD1-CE3 4.09Å; Y2321-W2360 AromaticContact CD1-CZ3 3.96Å; Y2321-W2360 HydrophobicContact CD1-CZ3 3.99Å; Y2321-W2360 HydrophobicContact CE1-CE3 4.29Å; Y2321-W2361 HydrophobicContact CD1-CE3 4.19Å; Y2321-W2361 HydrophobicContact CD1-CZ3 4.18Å; Y2321-W2361 HydrophobicContact CG-CZ3 4.26Å; Y2321-P2362 HydrophobicContact CE1-CG 4.14Å; Y2321-P2362 HydrophobicContact CE2-CG 4.28Å; Y2321-P2363 HydrophobicContact CE1-CG 4.15Å
2322L90.1Very high87Confident1.33333 Ų1.3333319.7 Ų19.71%0.00711%0.108CC..Hα-helixtrans-58.4-45.1176.9-173.768.8000111.8S2318 L2319 A2320 I2324 L2325 V2326 F2355 W2360 L2386 T2390 L2391S2318-L2322 WeakPolarHBondContact O-CB 3.37Å; S2318-L2322 PolarHBondContact O-N 3.08Å; S2318-L2322 VanDerWaalsContact O-N 3.09Å; L2319-L2322 PolarHBondContact O-N 3.33Å; A2320-L2322 PolarHBondContact O-N 2.84Å; L2322-I2324 PolarHBondContact O-N 3.06Å; L2322-L2325 PolarHBondContact O-N 3.11Å; L2322-V2326 WeakPolarHBondContact O-CG2 3.38Å; L2322-V2326 PolarHBondContact O-N 3.23Å; L2322-F2355 HydrophobicContact CD1-CD1 3.77Å; L2322-F2355 HydrophobicContact CD1-CE1 3.41Å; L2322-F2355 VanDerWaalsContact CD1-CE1 3.45Å; L2322-F2355 HydrophobicContact CD1-CE2 4.3Å; L2322-F2355 HydrophobicContact CD1-CG 4.44Å; L2322-F2355 HydrophobicContact CD1-CZ 3.75Å; L2322-W2360 HydrophobicContact CB-CH2 4.49Å; L2322-W2360 HydrophobicContact CB-CZ3 4.23Å; L2322-W2360 HydrophobicContact CD1-CD2 4.27Å; L2322-W2360 HydrophobicContact CD1-CE3 4.13Å; L2322-W2360 HydrophobicContact CD1-CH2 4.47Å; L2322-W2360 HydrophobicContact CD1-CZ3 4.23Å; L2322-L2386 HydrophobicContact CD2-CD1 3.93Å; L2322-L2386 HydrophobicContact CD2-CD2 4.04Å; L2322-T2390 HydrophobicContact CD2-CG2 3.92Å; L2322-L2391 HydrophobicContact CD1-CD2 4.11Å; L2322-L2391 HydrophobicContact CD2-CD2 3.94Å
2323N92Very high88.3Confident16.6667 Ų16.666717.6 Ų17.69%0.08910%0.096CC..Hα-helixtrans-67.4-36.1178.7-87.3-11.5000112.8P2162 D2163 L2166 L2319 A2320 Y2321 V2326 G2327P2162-N2323 WeakPolarHBondContact O-CB 3.38Å; P2162-N2323 PolarHBondContact O-ND2 3.09Å; D2163-N2323 WeakPolarHBondContact CA-ND2 3.2Å; D2163-N2323 PolarHBondContact N-ND2 3.43Å; D2163-N2323 PolarHBondContact OD1-ND2 3.45Å; L2166-N2323 WeakPolarHBondContact CA-O 3.27Å; L2166-N2323 HydrophobicContact CB-CB 4.09Å; L2166-N2323 WeakPolarHBondContact CB-O 3.34Å; L2166-N2323 WeakPolarHBondContact CG-O 3.34Å; L2319-N2323 WeakPolarHBondContact O-CB 3.35Å; L2319-N2323 PolarHBondContact O-N 3.13Å; L2319-N2323 VanDerWaalsContact O-N 3.09Å; L2319-N2323 PolarHBondContact O-ND2 3.42Å; A2320-N2323 PolarHBondContact O-N 3.07Å; Y2321-N2323 VanDerWaalsContact C-N 3.34Å; Y2321-N2323 PolarHBondContact O-N 2.91Å; N2323-V2326 PolarHBondContact O-N 3.13Å; N2323-G2327 PolarHBondContact O-N 2.93Å
2324I92.1Very high89.3Confident5 Ų513.7 Ų13.73%0.0268%0.075CC..Hα-helixtrans-61.7-49.3172.5-71166.6000110.6P2150 L2165 Y2190 I2191 A2320 Y2321 L2322 V2326 G2327 C2328P2150-I2324 HydrophobicContact CB-CD1 4.42Å; L2165-I2324 HydrophobicContact CB-CD1 4.41Å; L2165-I2324 HydrophobicContact CB-CG1 3.88Å; L2165-I2324 HydrophobicContact CD1-CD1 4.42Å; Y2190-I2324 HydrophobicContact CD1-CG2 3.63Å; Y2190-I2324 HydrophobicContact CE1-CG2 3.82Å; I2191-I2324 HydrophobicContact CD1-CG2 4.44Å; I2191-I2324 HydrophobicContact CG1-CG2 4.05Å; A2320-I2324 WeakPolarHBondContact O-CG1 3.32Å; A2320-I2324 PolarHBondContact O-N 3.19Å; Y2321-I2324 PolarHBondContact O-N 3.06Å; L2322-I2324 PolarHBondContact O-N 3.06Å; I2324-V2326 VanDerWaalsContact C-N 3.3Å; I2324-V2326 PolarHBondContact O-N 3.06Å; I2324-G2327 PolarHBondContact O-N 3.22Å; I2324-G2327 VanDerWaalsContact O-N 3.09Å; I2324-C2328 PolarHBondContact O-N 3.07Å; I2324-C2328 PolarHBondContact O-SG 3.31Å
2325L92.5Very high90.2Very high8 Ų813.7 Ų13.74%0.0427%0.071CC..Hα-helixtrans-58.1-41.4177.8-70.6-179.6000112.2I2187 I2191 Y2321 L2322 C2328 A2329 F2355I2187-L2325 HydrophobicContact CG2-CD2 3.53Å; I2191-L2325 HydrophobicContact CD1-CD2 4.24Å; Y2321-L2325 HydrophobicContact CD1-CD1 3.97Å; Y2321-L2325 HydrophobicContact CD1-CG 4.4Å; Y2321-L2325 HydrophobicContact CE1-CD1 3.47Å; Y2321-L2325 VanDerWaalsContact CE1-CD1 3.45Å; Y2321-L2325 HydrophobicContact CE1-CG 4.13Å; Y2321-L2325 HydrophobicContact CE2-CD2 4.35Å; Y2321-L2325 HydrophobicContact CE2-CG 4.37Å; Y2321-L2325 WeakPolarHBondContact O-CG 3.4Å; Y2321-L2325 PolarHBondContact O-N 2.9Å; L2322-L2325 PolarHBondContact O-N 3.11Å; L2325-C2328 PolarHBondContact O-N 2.98Å; L2325-A2329 VanDerWaalsContact O-CB 3.23Å; L2325-A2329 WeakPolarHBondContact O-CB 3.32Å; L2325-A2329 PolarHBondContact O-N 3.25Å; L2325-F2355 HydrophobicContact CB-CZ 3.98Å; L2325-F2355 HydrophobicContact CD1-CE1 3.88Å; L2325-F2355 HydrophobicContact CD1-CZ 4.04Å
2326V93.9Very high90.9Very high1 Ų111.4 Ų11.41%0.0066%0.059CC..Hα-helixtrans-63.7-42175.31710000111.6L2166 L2322 N2323 I2324 A2329 L2330 F2355 S2394 Q2397L2166-V2326 HydrophobicContact CD1-CB 4.2Å; L2166-V2326 HydrophobicContact CD1-CG1 3.71Å; L2166-V2326 HydrophobicContact CG-CB 4.44Å; L2166-V2326 HydrophobicContact CG-CG1 4.18Å; L2322-V2326 WeakPolarHBondContact O-CG2 3.38Å; L2322-V2326 PolarHBondContact O-N 3.23Å; N2323-V2326 PolarHBondContact O-N 3.13Å; I2324-V2326 VanDerWaalsContact C-N 3.3Å; I2324-V2326 PolarHBondContact O-N 3.06Å; V2326-A2329 WeakPolarHBondContact O-CB 3.44Å; V2326-A2329 PolarHBondContact O-N 3.05Å; V2326-L2330 HydrophobicContact CG1-CD1 4.09Å; V2326-L2330 HydrophobicContact CG1-CG 4.49Å; V2326-L2330 WeakPolarHBondContact O-CB 3.44Å; V2326-L2330 WeakPolarHBondContact O-CG 3.35Å; V2326-L2330 PolarHBondContact O-N 3.35Å; V2326-F2355 HydrophobicContact CG2-CE2 4.22Å; V2326-F2355 HydrophobicContact CG2-CZ 4.5Å; V2326-S2394 VanDerWaalsContact CG2-CB 3.44Å; V2326-Q2397 HydrophobicContact CG1-CB 3.87Å; V2326-Q2397 HydrophobicContact CG1-CG 4.45Å; V2326-Q2397 VanDerWaalsContact CG1-OE1 3.26Å
2327G94.3Very high91.5Very high0 Ų09.6 Ų9.60%04%0.044CC..Hα-helixtrans-61.9-46.3177.400000112.5N2323 I2324 A2329 L2330 A2331N2323-G2327 PolarHBondContact O-N 2.93Å; I2324-G2327 PolarHBondContact O-N 3.22Å; I2324-G2327 VanDerWaalsContact O-N 3.09Å; G2327-A2329 PolarHBondContact O-N 3.42Å; G2327-L2330 PolarHBondContact O-N 3.27Å; G2327-A2331 PolarHBondContact O-N 3.39Å
2328C94.5Very high91.9Very high1.66667 Ų1.666679.6 Ų9.61%0.0114%0.044CC..Hα-helixtrans-62.1-42.9174-65.30000112.1W2186 I2187 I2324 L2325 L2330 A2331 M2332W2186-C2328 HydrophobicContact CH2-CB 4.34Å; W2186-C2328 HydrophobicContact CZ3-CB 3.99Å; I2187-C2328 HydrophobicContact CG1-CB 4.41Å; I2187-C2328 HydrophobicContact CG2-CB 3.98Å; I2324-C2328 PolarHBondContact O-N 3.07Å; I2324-C2328 PolarHBondContact O-SG 3.31Å; L2325-C2328 PolarHBondContact O-N 2.98Å; C2328-L2330 VanDerWaalsContact C-N 3.35Å; C2328-L2330 PolarHBondContact O-N 3.2Å; C2328-A2331 PolarHBondContact O-N 2.99Å; C2328-M2332 PolarHBondContact O-N 3.1Å
2329A94.6Very high92.1Very high0 Ų011.1 Ų11.10%05%0.053CC..Hα-helixtrans-61.7-41.3177.100000112.3L2325 V2326 G2327 M2332 G2333 L2348 L2351 C2398 A2401L2325-A2329 VanDerWaalsContact O-CB 3.23Å; L2325-A2329 WeakPolarHBondContact O-CB 3.32Å; L2325-A2329 PolarHBondContact O-N 3.25Å; V2326-A2329 WeakPolarHBondContact O-CB 3.44Å; V2326-A2329 PolarHBondContact O-N 3.05Å; G2327-A2329 PolarHBondContact O-N 3.42Å; A2329-M2332 PolarHBondContact O-N 3.09Å; A2329-G2333 PolarHBondContact O-N 3.12Å; A2329-L2348 HydrophobicContact CB-CD2 3.65Å; A2329-L2351 HydrophobicContact CB-CD2 4.15Å; A2329-C2398 VanDerWaalsContact CB-SG 3.54Å; A2329-A2401 WeakPolarHBondContact O-CB 3.3Å
2330L95.1Very high92.1Very high7.66667 Ų7.6666710.2 Ų10.24%0.045%0.052CC..Hα-helixtrans-66.6-43.1176.6-134.2165000111.2L2166 L2170 V2326 G2327 C2328 M2332 G2333 L2334 A2401 M2404 P2530L2166-L2330 HydrophobicContact CD2-CD1 4.15Å; L2170-L2330 HydrophobicContact CD1-CB 3.91Å; L2170-L2330 HydrophobicContact CD1-CD1 4.17Å; L2170-L2330 HydrophobicContact CD1-CD2 3.91Å; L2170-L2330 HydrophobicContact CG-CD2 4.2Å; V2326-L2330 HydrophobicContact CG1-CD1 4.09Å; V2326-L2330 HydrophobicContact CG1-CG 4.49Å; V2326-L2330 WeakPolarHBondContact O-CB 3.44Å; V2326-L2330 WeakPolarHBondContact O-CG 3.35Å; V2326-L2330 PolarHBondContact O-N 3.35Å; G2327-L2330 PolarHBondContact O-N 3.27Å; C2328-L2330 VanDerWaalsContact C-N 3.35Å; C2328-L2330 PolarHBondContact O-N 3.2Å; L2330-M2332 VanDerWaalsContact C-N 3.34Å; L2330-M2332 PolarHBondContact O-N 3.16Å; L2330-G2333 WeakPolarHBondContact O-CA 3.15Å; L2330-G2333 PolarHBondContact O-N 3.15Å; L2330-G2333 VanDerWaalsContact O-N 3.13Å; L2330-L2334 HydrophobicContact CD2-CD1 3.56Å; L2330-L2334 HydrophobicContact CD2-CG 3.97Å; L2330-L2334 VanDerWaalsContact O-CG 3.3Å; L2330-L2334 WeakPolarHBondContact O-CG 3.34Å; L2330-L2334 PolarHBondContact O-N 2.97Å; L2330-A2401 HydrophobicContact CD2-CB 4.28Å; L2330-M2404 HydrophobicContact CD2-CE 4.29Å; L2330-M2404 HydrophobicContact CG-CE 4.39Å; L2330-P2530 HydrophobicContact CD1-CB 4.03Å; L2330-P2530 HydrophobicContact CD1-CG 4.45Å
2331A95.1Very high92.2Very high0.333333 Ų0.33333312 Ų120%0.0036%0.061CC..Hα-helixtrans-59.5-43.9174.300000112.5I2180 W2186 G2327 C2328 G2333 L2334 R2335I2180-A2331 HydrophobicContact CD1-CB 4.29Å; W2186-A2331 HydrophobicContact CH2-CB 4.38Å; G2327-A2331 PolarHBondContact O-N 3.39Å; C2328-A2331 PolarHBondContact O-N 2.99Å; A2331-G2333 VanDerWaalsContact C-N 3.33Å; A2331-G2333 PolarHBondContact O-N 3.04Å; A2331-L2334 PolarHBondContact O-N 3.23Å; A2331-R2335 PolarHBondContact O-N 3.43Å
2332M94.9Very high92.2Very high0 Ų014.6 Ų14.60%08%0.081CC..Hα-helixtrans-63-40174.1-170.7-179.5-64.100112I2180 E2181 W2186 I2187 C2328 A2329 L2330 L2334 R2335 Y2336 A2344 T2347 L2348I2180-M2332 HydrophobicContact CG2-CB 4.4Å; I2180-M2332 HydrophobicContact CG2-CG 4.42Å; E2181-M2332 VanDerWaalsContact O-CE 3.31Å; E2181-M2332 WeakPolarHBondContact O-CE 3.45Å; W2186-M2332 HydrophobicContact CE3-CE 3.61Å; W2186-M2332 HydrophobicContact CZ3-CB 4.46Å; W2186-M2332 HydrophobicContact CZ3-CE 4.03Å; I2187-M2332 HydrophobicContact CD1-CE 3.89Å; I2187-M2332 HydrophobicContact CG1-CE 3.8Å; C2328-M2332 PolarHBondContact O-N 3.1Å; A2329-M2332 PolarHBondContact O-N 3.09Å; L2330-M2332 VanDerWaalsContact C-N 3.34Å; L2330-M2332 PolarHBondContact O-N 3.16Å; M2332-L2334 VanDerWaalsContact C-N 3.33Å; M2332-L2334 PolarHBondContact O-N 2.96Å; M2332-R2335 PolarHBondContact O-N 3.35Å; M2332-Y2336 HydrophobicContact CG-CD2 4.03Å; M2332-Y2336 HydrophobicContact CG-CE2 4.3Å; M2332-Y2336 WeakPolarHBondContact O-CD2 3.13Å; M2332-Y2336 PolarHBondContact O-N 3.31Å; M2332-Y2336 VanDerWaalsContact O-N 3.12Å; M2332-A2344 HydrophobicContact CG-CB 4.48Å; M2332-A2344 HydrophobicContact SD-CB 4.43Å; M2332-T2347 PolarHBondContact SD-OG1 3.01Å; M2332-T2347 VanDerWaalsContact SD-OG1 3.39Å; M2332-L2348 HydrophobicContact SD-CD2 4.31Å; M2332-L2348 HydrophobicContact SD-CG 4.35Å
2333G94.4Very high92.3Very high0 Ų019 Ų190%010%0.104CC..Hα-helixtrans-63.1-35.4174.900000114A2329 L2330 A2331 A2337A2329-G2333 PolarHBondContact O-N 3.12Å; L2330-G2333 WeakPolarHBondContact O-CA 3.15Å; L2330-G2333 PolarHBondContact O-N 3.15Å; L2330-G2333 VanDerWaalsContact O-N 3.13Å; A2331-G2333 VanDerWaalsContact C-N 3.33Å; A2331-G2333 PolarHBondContact O-N 3.04Å; G2333-A2337 PolarHBondContact O-N 3.19Å
2334L94.3Very high92.3Very high3 Ų318.2 Ų18.22%0.01610%0.1CC..Hα-helixtrans-71.2-44.6174.7-70.6166.4000111.8L2174 W2177 L2330 A2331 M2332 Y2336 A2337 M2404 N2516 L2524 V2525L2174-L2334 HydrophobicContact CD2-CD1 4.32Å; W2177-L2334 VanDerWaalsContact CH2-C 3.42Å; W2177-L2334 HydrophobicContact CH2-CB 3.94Å; W2177-L2334 WeakPolarHBondContact CH2-O 3.44Å; W2177-L2334 HydrophobicContact CZ3-CB 3.98Å; L2330-L2334 HydrophobicContact CD2-CD1 3.56Å; L2330-L2334 HydrophobicContact CD2-CG 3.97Å; L2330-L2334 VanDerWaalsContact O-CG 3.3Å; L2330-L2334 WeakPolarHBondContact O-CG 3.34Å; L2330-L2334 PolarHBondContact O-N 2.97Å; A2331-L2334 PolarHBondContact O-N 3.23Å; M2332-L2334 VanDerWaalsContact C-N 3.33Å; M2332-L2334 PolarHBondContact O-N 2.96Å; L2334-Y2336 VanDerWaalsContact C-N 3.31Å; L2334-Y2336 PolarHBondContact O-N 3.04Å; L2334-A2337 VanDerWaalsContact O-CB 3.29Å; L2334-A2337 WeakPolarHBondContact O-CB 3.36Å; L2334-A2337 PolarHBondContact O-N 2.87Å; L2334-M2404 HydrophobicContact CD2-CE 4.15Å; L2334-M2404 HydrophobicContact CD2-SD 3.96Å; L2334-M2404 HydrophobicContact CG-CE 4.1Å; L2334-M2404 HydrophobicContact CG-SD 4.5Å; L2334-N2516 PolarHBondContact O-OD1 2.61Å; L2334-L2524 HydrophobicContact CD2-CB 3.51Å; L2334-L2524 VanDerWaalsContact CD2-CB 3.5Å; L2334-L2524 HydrophobicContact CD2-CD1 4.34Å; L2334-V2525 HydrophobicContact CD1-CG2 3.48Å; L2334-V2525 VanDerWaalsContact CD1-CG2 3.44Å; L2334-V2525 HydrophobicContact CD2-CG2 4.26Å; L2334-V2525 HydrophobicContact CG-CG2 4.45Å
2335R93.6Very high92.4Very high57.6667 Ų57.666718.3 Ų18.322%0.21810%0.101CC..Hα-helixtrans-60-36.3179.9173.193170.3170.4-6.3113.4W2177 N2178 I2180 A2331 M2332 N2516W2177-R2335 HydrophobicContact CD2-CB 4.45Å; W2177-R2335 HydrophobicContact CE3-CB 4.49Å; W2177-R2335 VanDerWaalsContact CH2-CA 3.47Å; W2177-R2335 HydrophobicContact CH2-CB 4.34Å; W2177-R2335 VanDerWaalsContact CZ2-CA 3.41Å; W2177-R2335 HydrophobicContact CZ2-CB 4.04Å; W2177-R2335 HydrophobicContact CZ3-CB 4.38Å; W2177-R2335 VanDerWaalsContact NE1-NH1 3.12Å; W2177-R2335 WeakPolarHBondContact O-CD 3.33Å; W2177-R2335 VanDerWaalsContact O-CZ 3.24Å; W2177-R2335 PolarHBondContact O-NE 3Å; W2177-R2335 VanDerWaalsContact O-NE 3.13Å; W2177-R2335 PolarHBondContact O-NH1 3.14Å; N2178-R2335 PolarHBondContact O-NH1 3.08Å; N2178-R2335 PolarHBondContact OD1-NH1 2.99Å; I2180-R2335 VanDerWaalsContact C-NH1 3.34Å; I2180-R2335 HydrophobicContact CB-CB 4.42Å; I2180-R2335 VanDerWaalsContact CB-CD 3.47Å; I2180-R2335 HydrophobicContact CB-CG 3.98Å; I2180-R2335 HydrophobicContact CD1-CB 3.99Å; I2180-R2335 HydrophobicContact CD1-CG 4.27Å; I2180-R2335 HydrophobicContact CG2-CB 4.11Å; I2180-R2335 HydrophobicContact CG2-CG 3.96Å; I2180-R2335 WeakPolarHBondContact O-CD 3.34Å; I2180-R2335 PolarHBondContact O-NE 3.02Å; I2180-R2335 VanDerWaalsContact O-NE 3.16Å; I2180-R2335 PolarHBondContact O-NH1 3.49Å; I2180-R2335 PolarHBondContact O-NH2 3.01Å; I2180-R2335 VanDerWaalsContact O-NH2 3.17Å; A2331-R2335 PolarHBondContact O-N 3.43Å; M2332-R2335 PolarHBondContact O-N 3.35Å; R2335-N2516 PolarHBondContact O-ND2 3.08Å; R2335-N2516 PolarHBondContact O-OD1 2.82Å
2336Y93Very high92.4Very high32.3333 Ų32.333322.2 Ų22.213%0.12712%0.122CC..THydrogen-bonded Turntrans-10719.1-176.5-66.8-70.2000113I2180 P2182 M2332 L2334 G2338 T2339 N2341 A2344 I2405I2180-Y2336 HydrophobicContact CG2-CE2 4.48Å; I2180-Y2336 PolarHBondContact O-OH 3.38Å; P2182-Y2336 HydrophobicContact CB-CE2 3.98Å; P2182-Y2336 WeakPolarHBondContact CD-OH 3.45Å; M2332-Y2336 HydrophobicContact CG-CD2 4.03Å; M2332-Y2336 HydrophobicContact CG-CE2 4.3Å; M2332-Y2336 WeakPolarHBondContact O-CD2 3.13Å; M2332-Y2336 PolarHBondContact O-N 3.31Å; M2332-Y2336 VanDerWaalsContact O-N 3.12Å; L2334-Y2336 VanDerWaalsContact C-N 3.31Å; L2334-Y2336 PolarHBondContact O-N 3.04Å; Y2336-G2338 PolarHBondContact O-N 3.23Å; Y2336-T2339 WeakPolarHBondContact CB-OG1 3.4Å; Y2336-T2339 WeakPolarHBondContact O-CB 3.29Å; Y2336-T2339 WeakPolarHBondContact O-CG2 3.13Å; Y2336-T2339 PolarHBondContact O-N 3.27Å; Y2336-T2339 VanDerWaalsContact O-N 3.13Å; Y2336-T2339 PolarHBondContact O-OG1 3.39Å; Y2336-N2341 HydrophobicContact CD1-CB 4.01Å; Y2336-N2341 VanDerWaalsContact CD1-ND2 3.34Å; Y2336-N2341 WeakPolarHBondContact CD1-ND2 3.45Å; Y2336-N2341 VanDerWaalsContact CE1-ND2 3.28Å; Y2336-N2341 WeakPolarHBondContact CE1-ND2 3.36Å; Y2336-N2341 HydrophobicContact CG-CB 4.39Å; Y2336-A2344 HydrophobicContact CD2-CB 3.64Å; Y2336-A2344 HydrophobicContact CE2-CB 4.18Å; Y2336-A2344 HydrophobicContact CG-CB 3.94Å; Y2336-I2405 WeakPolarHBondContact O-CA 3.15Å
2337A92.6Very high92.4Very high0 Ų023 Ų230%013%0.128CC..THydrogen-bonded Turntrans-56.6128.5-177.100000112.3G2333 L2334 T2339 M2404 L2514 N2516 L2524 S2595G2333-A2337 PolarHBondContact O-N 3.19Å; L2334-A2337 VanDerWaalsContact O-CB 3.29Å; L2334-A2337 WeakPolarHBondContact O-CB 3.36Å; L2334-A2337 PolarHBondContact O-N 2.87Å; A2337-T2339 WeakPolarHBondContact O-CG2 3.15Å; A2337-T2339 PolarHBondContact O-N 3.06Å; A2337-M2404 WeakPolarHBondContact CA-O 3.41Å; A2337-L2514 HydrophobicContact CB-CB 4.06Å; A2337-L2514 HydrophobicContact CB-CD1 4.31Å; A2337-N2516 PolarHBondContact N-OD1 3.44Å; A2337-N2516 VanDerWaalsContact O-CG 3.27Å; A2337-N2516 PolarHBondContact O-ND2 3.02Å; A2337-N2516 PolarHBondContact O-OD1 2.97Å; A2337-L2524 HydrophobicContact CB-CD1 4.12Å; A2337-S2595 PolarHBondContact O-OG 3.41Å
2338G88.9Confident92.4Very high0.666667 Ų0.66666723 Ų231%0.00713%0.128CC..THydrogen-bonded Turntrans61.86.7-178.900000116.3Y2336 S2340 M2404 I2405 T2513 R2557Y2336-G2338 PolarHBondContact O-N 3.23Å; G2338-S2340 VanDerWaalsContact C-N 3.27Å; G2338-S2340 PolarHBondContact O-N 3.42Å; G2338-M2404 PolarHBondContact N-O 3.24Å; G2338-I2405 WeakPolarHBondContact CA-O 3.4Å; G2338-I2405 PolarHBondContact N-O 3.14Å; G2338-T2513 VanDerWaalsContact CA-OG1 3.29Å; G2338-T2513 WeakPolarHBondContact CA-OG1 3.42Å; G2338-R2557 PolarHBondContact O-NH1 3.13Å
2339T87.1Confident92.4Very high32 Ų3226.3 Ų26.320%0.19614%0.14CC..THydrogen-bonded Turntrans-85.1-17.417972.10000113.5Y2336 A2337 N2341 I2405 P2594Y2336-T2339 WeakPolarHBondContact CB-OG1 3.4Å; Y2336-T2339 WeakPolarHBondContact O-CB 3.29Å; Y2336-T2339 WeakPolarHBondContact O-CG2 3.13Å; Y2336-T2339 PolarHBondContact O-N 3.27Å; Y2336-T2339 VanDerWaalsContact O-N 3.13Å; Y2336-T2339 PolarHBondContact O-OG1 3.39Å; A2337-T2339 WeakPolarHBondContact O-CG2 3.15Å; A2337-T2339 PolarHBondContact O-N 3.06Å; T2339-N2341 PolarHBondContact O-N 3.05Å; T2339-N2341 PolarHBondContact OG1-N 3.25Å; T2339-I2405 PolarHBondContact N-O 3.17Å; T2339-P2594 WeakPolarHBondContact CA-O 3.4Å; T2339-P2594 WeakPolarHBondContact O-CB 3.46Å
2340S86.5Confident92.3Very high33 Ų3329 Ų2923%0.23116%0.159CC..  trans51.833.4-172.8-52.80000114.7G2338 S2342 I2405 R2557G2338-S2340 VanDerWaalsContact C-N 3.27Å; G2338-S2340 PolarHBondContact O-N 3.42Å; S2340-S2342 PolarHBondContact O-N 3.21Å; S2340-S2342 VanDerWaalsContact O-N 3.16Å; S2340-I2405 PolarHBondContact N-O 3.25Å; S2340-I2405 VanDerWaalsContact N-O 3.15Å; S2340-R2557 VanDerWaalsContact OG-CZ 3.24Å; S2340-R2557 PolarHBondContact OG-NH1 3.05Å; S2340-R2557 PolarHBondContact OG-NH2 3.27Å
2341N88.5Confident92.1Very high40.3333 Ų40.333329.3 Ų29.322%0.21616%0.161CC..  trans-62.3119176.2-178.8-7.9000111Y2336 T2339 N2343 A2344 A2345Y2336-N2341 HydrophobicContact CD1-CB 4.01Å; Y2336-N2341 VanDerWaalsContact CD1-ND2 3.34Å; Y2336-N2341 WeakPolarHBondContact CD1-ND2 3.45Å; Y2336-N2341 VanDerWaalsContact CE1-ND2 3.28Å; Y2336-N2341 WeakPolarHBondContact CE1-ND2 3.36Å; Y2336-N2341 HydrophobicContact CG-CB 4.39Å; T2339-N2341 PolarHBondContact O-N 3.05Å; T2339-N2341 PolarHBondContact OG1-N 3.25Å; N2341-N2343 VanDerWaalsContact C-N 3.34Å; N2341-N2343 PolarHBondContact O-N 3.34Å; N2341-N2343 PolarHBondContact OD1-N 3.06Å; N2341-N2343 VanDerWaalsContact OD1-N 3.08Å; N2341-A2344 HydrophobicContact CB-CB 4.23Å; N2341-A2344 PolarHBondContact O-N 2.96Å; N2341-A2345 WeakPolarHBondContact O-CB 3.34Å; N2341-A2345 PolarHBondContact O-N 3.18Å
2342S88.3Confident91.9Very high66.3333 Ų66.333329.3 Ų29.346%0.46416%0.161SC..Hα-helixtrans-62.2-40.6-177.152.80000113.4S2340 A2344 A2345 N2346S2340-S2342 PolarHBondContact O-N 3.21Å; S2340-S2342 VanDerWaalsContact O-N 3.16Å; S2342-A2344 VanDerWaalsContact C-N 3.31Å; S2342-A2344 PolarHBondContact O-N 3.13Å; S2342-A2345 PolarHBondContact O-N 3.11Å; S2342-N2346 VanDerWaalsContact O-CB 3.31Å; S2342-N2346 WeakPolarHBondContact O-CB 3.47Å; S2342-N2346 PolarHBondContact O-N 3.14Å; S2342-N2346 PolarHBondContact O-ND2 3.13Å; S2342-N2346 VanDerWaalsContact O-ND2 3.15Å
2343N92.1Very high91.8Very high92.6667 Ų92.666735.9 Ų35.950%0.49619%0.186SC..Hα-helixtrans-66.1-45.4-177.9-67-8.6000110.8P2182 N2341 A2345 N2346 T2347P2182-N2343 HydrophobicContact CB-CB 3.97Å; P2182-N2343 HydrophobicContact CG-CB 4.04Å; N2341-N2343 VanDerWaalsContact C-N 3.34Å; N2341-N2343 PolarHBondContact O-N 3.34Å; N2341-N2343 PolarHBondContact OD1-N 3.06Å; N2341-N2343 VanDerWaalsContact OD1-N 3.08Å; N2343-A2345 VanDerWaalsContact C-N 3.34Å; N2343-A2345 PolarHBondContact O-N 2.89Å; N2343-N2346 PolarHBondContact O-N 3.2Å; N2343-N2346 VanDerWaalsContact O-N 3.13Å; N2343-T2347 WeakPolarHBondContact O-CG2 3.41Å; N2343-T2347 PolarHBondContact O-N 3.01Å; N2343-T2347 PolarHBondContact O-OG1 3.02Å
2344A92.4Very high91.5Very high0 Ų036.8 Ų36.80%019%0.192CC..Hα-helixtrans-68.5-35.3177.800000112.3P2182 M2332 Y2336 N2341 S2342 T2347 L2348 I2405P2182-A2344 HydrophobicContact CB-CB 3.81Å; M2332-A2344 HydrophobicContact CG-CB 4.48Å; M2332-A2344 HydrophobicContact SD-CB 4.43Å; Y2336-A2344 HydrophobicContact CD2-CB 3.64Å; Y2336-A2344 HydrophobicContact CE2-CB 4.18Å; Y2336-A2344 HydrophobicContact CG-CB 3.94Å; N2341-A2344 HydrophobicContact CB-CB 4.23Å; N2341-A2344 PolarHBondContact O-N 2.96Å; S2342-A2344 VanDerWaalsContact C-N 3.31Å; S2342-A2344 PolarHBondContact O-N 3.13Å; A2344-T2347 WeakPolarHBondContact CA-OG1 3.38Å; A2344-T2347 PolarHBondContact O-OG1 2.95Å; A2344-T2347 VanDerWaalsContact O-OG1 3.1Å; A2344-L2348 WeakPolarHBondContact O-CG 3.39Å; A2344-L2348 PolarHBondContact O-N 3.01Å; A2344-I2405 HydrophobicContact CB-CD1 3.66Å
2345A93Very high91.2Very high7 Ų736.8 Ų36.86%0.05819%0.192CC..Hα-helixtrans-65.6-41.4172.600000111.8N2341 S2342 N2343 Y2349 L2402 L2406N2341-A2345 WeakPolarHBondContact O-CB 3.34Å; N2341-A2345 PolarHBondContact O-N 3.18Å; S2342-A2345 PolarHBondContact O-N 3.11Å; N2343-A2345 VanDerWaalsContact C-N 3.34Å; N2343-A2345 PolarHBondContact O-N 2.89Å; A2345-Y2349 WeakPolarHBondContact O-CB 3.29Å; A2345-Y2349 PolarHBondContact O-N 3.27Å; A2345-L2402 WeakPolarHBondContact O-CD1 3.18Å; A2345-L2406 HydrophobicContact CB-CD1 4.28Å; A2345-L2406 HydrophobicContact CB-CD2 4.24Å; A2345-L2406 HydrophobicContact CB-CG 4.37Å
2346N94Very high90.8Very high90 Ų9036.9 Ų36.948%0.48120%0.197SC..Hα-helixtrans-69.3-39.7-179.3-73.9-21000112.9S2342 N2343 Y2349 S2350S2342-N2346 VanDerWaalsContact O-CB 3.31Å; S2342-N2346 WeakPolarHBondContact O-CB 3.47Å; S2342-N2346 PolarHBondContact O-N 3.14Å; S2342-N2346 PolarHBondContact O-ND2 3.13Å; S2342-N2346 VanDerWaalsContact O-ND2 3.15Å; N2343-N2346 PolarHBondContact O-N 3.2Å; N2343-N2346 VanDerWaalsContact O-N 3.13Å; N2346-Y2349 PolarHBondContact O-N 3.1Å; N2346-S2350 WeakPolarHBondContact O-CB 3.47Å; N2346-S2350 PolarHBondContact O-N 3.01Å; N2346-S2350 PolarHBondContact O-OG 3.11Å
2347T93.4Very high90.4Very high19 Ų1939.8 Ų39.812%0.11721%0.214CC..Hα-helixtrans-65.5-46.2175.949.40000111.7P2182 Q2184 M2332 N2343 A2344 Y2349 S2350 L2351P2182-T2347 WeakPolarHBondContact O-CG2 3.31Å; Q2184-T2347 HydrophobicContact CG-CG2 4.27Å; M2332-T2347 PolarHBondContact SD-OG1 3.01Å; M2332-T2347 VanDerWaalsContact SD-OG1 3.39Å; N2343-T2347 WeakPolarHBondContact O-CG2 3.41Å; N2343-T2347 PolarHBondContact O-N 3.01Å; N2343-T2347 PolarHBondContact O-OG1 3.02Å; A2344-T2347 WeakPolarHBondContact CA-OG1 3.38Å; A2344-T2347 PolarHBondContact O-OG1 2.95Å; A2344-T2347 VanDerWaalsContact O-OG1 3.1Å; T2347-Y2349 VanDerWaalsContact C-N 3.32Å; T2347-Y2349 PolarHBondContact O-N 3.35Å; T2347-S2350 PolarHBondContact O-N 3.08Å; T2347-S2350 PolarHBondContact O-OG 2.99Å; T2347-L2351 VanDerWaalsContact O-CB 3.29Å; T2347-L2351 WeakPolarHBondContact O-CB 3.39Å; T2347-L2351 PolarHBondContact O-N 3.26Å
2348L94.2Very high89.6Confident0 Ų044.4 Ų44.40%024%0.239CC..Hα-helixtrans-66.1-34.1175.7-66.5-174.7000112.5A2329 M2332 A2344 L2351 A2352 A2401 L2402 I2405A2329-L2348 HydrophobicContact CB-CD2 3.65Å; M2332-L2348 HydrophobicContact SD-CD2 4.31Å; M2332-L2348 HydrophobicContact SD-CG 4.35Å; A2344-L2348 WeakPolarHBondContact O-CG 3.39Å; A2344-L2348 PolarHBondContact O-N 3.01Å; L2348-L2351 PolarHBondContact O-N 3.35Å; L2348-A2352 VanDerWaalsContact O-CB 3.27Å; L2348-A2352 WeakPolarHBondContact O-CB 3.28Å; L2348-A2352 PolarHBondContact O-N 2.99Å; L2348-A2401 HydrophobicContact CD1-CB 3.91Å; L2348-L2402 HydrophobicContact CB-CB 4.06Å; L2348-L2402 HydrophobicContact CB-CD1 4.03Å; L2348-L2402 HydrophobicContact CB-CG 4.42Å; L2348-L2402 HydrophobicContact CD1-CB 4.27Å; L2348-I2405 HydrophobicContact CD1-CD1 3.62Å; L2348-I2405 HydrophobicContact CD1-CG1 4.49Å
2349Y94.1Very high89.2Confident69.3333 Ų69.333347.9 Ų47.927%0.27226%0.261SS..Hα-helixtrans-66.9-44.4175.3-179.3-102.5000112A2345 N2346 T2347 L2351 A2352 R2353 L2402 M2417A2345-Y2349 WeakPolarHBondContact O-CB 3.29Å; A2345-Y2349 PolarHBondContact O-N 3.27Å; N2346-Y2349 PolarHBondContact O-N 3.1Å; T2347-Y2349 VanDerWaalsContact C-N 3.32Å; T2347-Y2349 PolarHBondContact O-N 3.35Å; Y2349-L2351 VanDerWaalsContact C-N 3.35Å; Y2349-A2352 PolarHBondContact O-N 3.15Å; Y2349-R2353 VanDerWaalsContact O-CB 3.28Å; Y2349-R2353 WeakPolarHBondContact O-CB 3.27Å; Y2349-R2353 PolarHBondContact O-N 3.12Å; Y2349-L2402 HydrophobicContact CD2-CD1 4.38Å; Y2349-L2402 HydrophobicContact CG-CD1 4.48Å; Y2349-M2417 HydrophobicContact CD2-CE 3.86Å; Y2349-M2417 HydrophobicContact CD2-SD 4.33Å; Y2349-M2417 HydrophobicContact CE2-CE 3.43Å; Y2349-M2417 VanDerWaalsContact CE2-CE 3.47Å; Y2349-M2417 HydrophobicContact CE2-CG 4.4Å; Y2349-M2417 HydrophobicContact CE2-SD 3.6Å; Y2349-M2417 VanDerWaalsContact CE2-SD 3.6Å
2350S92.2Very high88.8Confident58.3333 Ų58.333347.2 Ų47.241%0.40825%0.254SS..Hα-helixtrans-64.2-42176.499.20000111.4Q2184 N2346 T2347 R2353 S2354Q2184-S2350 PolarHBondContact NE2-OG 3.05Å; Q2184-S2350 VanDerWaalsContact NE2-OG 3.11Å; N2346-S2350 WeakPolarHBondContact O-CB 3.47Å; N2346-S2350 PolarHBondContact O-N 3.01Å; N2346-S2350 PolarHBondContact O-OG 3.11Å; T2347-S2350 PolarHBondContact O-N 3.08Å; T2347-S2350 PolarHBondContact O-OG 2.99Å; S2350-R2353 PolarHBondContact O-N 3.04Å; S2350-S2354 WeakPolarHBondContact O-CB 3.37Å; S2350-S2354 PolarHBondContact O-N 3.23Å
2351L91.5Very high88.1Confident14.3333 Ų14.333346.3 Ų46.38%0.07525%0.246CC..Hα-helixtrans-63.3-48.9176.8-171.2134.4000111.7I2187 A2329 T2347 L2348 Y2349 R2353 S2354 F2355 C2398I2187-L2351 HydrophobicContact CD1-CD1 3.85Å; A2329-L2351 HydrophobicContact CB-CD2 4.15Å; T2347-L2351 VanDerWaalsContact O-CB 3.29Å; T2347-L2351 WeakPolarHBondContact O-CB 3.39Å; T2347-L2351 PolarHBondContact O-N 3.26Å; L2348-L2351 PolarHBondContact O-N 3.35Å; Y2349-L2351 VanDerWaalsContact C-N 3.35Å; L2351-R2353 VanDerWaalsContact C-N 3.31Å; L2351-R2353 PolarHBondContact O-N 3.38Å; L2351-S2354 WeakPolarHBondContact O-CB 3.18Å; L2351-S2354 PolarHBondContact O-N 3.25Å; L2351-S2354 VanDerWaalsContact O-N 3.1Å; L2351-S2354 PolarHBondContact O-OG 2.76Å; L2351-F2355 HydrophobicContact CD1-CZ 4.3Å; L2351-F2355 HydrophobicContact CD2-CD2 4Å; L2351-F2355 HydrophobicContact CD2-CE1 4.4Å; L2351-F2355 HydrophobicContact CD2-CE2 3.53Å; L2351-F2355 VanDerWaalsContact CD2-CE2 3.41Å; L2351-F2355 HydrophobicContact CD2-CZ 3.73Å; L2351-F2355 HydrophobicContact CG-CE2 3.8Å; L2351-F2355 HydrophobicContact CG-CZ 4.18Å; L2351-F2355 WeakPolarHBondContact O-CD2 3.3Å; L2351-F2355 PolarHBondContact O-N 2.84Å; L2351-F2355 VanDerWaalsContact O-N 3.12Å; L2351-C2398 HydrophobicContact CD2-CB 4.05Å; L2351-C2398 WeakPolarHBondContact CD2-SG 3.35Å
2352A91.7Very high86.9Confident0.333333 Ų0.33333345.7 Ų45.70%0.00324%0.244CC..Hα-helixtrans-61.3-38.7176.500000112.2L2348 Y2349 S2354 F2355 L2356 C2398 L2399L2348-A2352 VanDerWaalsContact O-CB 3.27Å; L2348-A2352 WeakPolarHBondContact O-CB 3.28Å; L2348-A2352 PolarHBondContact O-N 2.99Å; Y2349-A2352 PolarHBondContact O-N 3.15Å; A2352-S2354 VanDerWaalsContact C-N 3.34Å; A2352-F2355 PolarHBondContact O-N 3.14Å; A2352-L2356 WeakPolarHBondContact O-CG 3.41Å; A2352-L2356 PolarHBondContact O-N 3.18Å; A2352-C2398 HydrophobicContact CB-CB 4.12Å; A2352-L2399 HydrophobicContact CB-CD2 4.3Å; A2352-L2399 HydrophobicContact CB-CG 4.37Å
2353R91.6Very high85.3Confident136.667 Ų136.66744.2 Ų44.252%0.51623%0.233SC..Hα-helixtrans-67.4-34.5173.9-170.5175.2-175.1-176.20.2112.2Y2349 S2350 L2351 F2355 L2356 N2357Y2349-R2353 VanDerWaalsContact O-CB 3.28Å; Y2349-R2353 WeakPolarHBondContact O-CB 3.27Å; Y2349-R2353 PolarHBondContact O-N 3.12Å; S2350-R2353 PolarHBondContact O-N 3.04Å; L2351-R2353 VanDerWaalsContact C-N 3.31Å; L2351-R2353 PolarHBondContact O-N 3.38Å; R2353-F2355 VanDerWaalsContact C-N 3.29Å; R2353-F2355 PolarHBondContact O-N 3.47Å; R2353-L2356 PolarHBondContact O-N 3.06Å; R2353-N2357 WeakPolarHBondContact O-CB 3.43Å; R2353-N2357 PolarHBondContact O-N 3.05Å; R2353-N2357 VanDerWaalsContact O-N 3.09Å
2354S87.7Confident83.3Confident20 Ų2042.4 Ų42.414%0.1423%0.227CC..Hα-helixtrans-65.6-37.6177.2170.30000112.3S2350 L2351 A2352 L2356 N2357 D2358 T2359 W2360S2350-S2354 WeakPolarHBondContact O-CB 3.37Å; S2350-S2354 PolarHBondContact O-N 3.23Å; L2351-S2354 WeakPolarHBondContact O-CB 3.18Å; L2351-S2354 PolarHBondContact O-N 3.25Å; L2351-S2354 VanDerWaalsContact O-N 3.1Å; L2351-S2354 PolarHBondContact O-OG 2.76Å; A2352-S2354 VanDerWaalsContact C-N 3.34Å; S2354-L2356 VanDerWaalsContact C-N 3.31Å; S2354-L2356 PolarHBondContact O-N 3.36Å; S2354-N2357 PolarHBondContact O-N 3.11Å; S2354-D2358 PolarHBondContact O-N 3.03Å; S2354-T2359 WeakPolarHBondContact CA-OG1 3.42Å; S2354-T2359 PolarHBondContact O-N 3.02Å; S2354-T2359 VanDerWaalsContact O-N 3.1Å; S2354-T2359 PolarHBondContact O-OG1 3.12Å; S2354-T2359 VanDerWaalsContact OG-C 3.25Å; S2354-T2359 PolarHBondContact OG-O 3.41Å; S2354-T2359 VanDerWaalsContact OG-O 3.09Å; S2354-T2359 PolarHBondContact OG-OG1 3.1Å; S2354-W2360 PolarHBondContact O-N 3.29Å; S2354-W2360 WeakPolarHBondContact OG-CA 3.4Å; S2354-W2360 PolarHBondContact OG-N 2.91Å
2355F88.4Confident81.1Confident2 Ų248.6 Ų48.61%0.00925%0.251CS..Hα-helixtrans-64.9-35.4172.3-66-28.1000113.1L2322 L2325 V2326 L2351 A2352 R2353 W2360 S2394 A2395 C2398L2322-F2355 HydrophobicContact CD1-CD1 3.77Å; L2322-F2355 HydrophobicContact CD1-CE1 3.41Å; L2322-F2355 VanDerWaalsContact CD1-CE1 3.45Å; L2322-F2355 HydrophobicContact CD1-CE2 4.3Å; L2322-F2355 HydrophobicContact CD1-CG 4.44Å; L2322-F2355 HydrophobicContact CD1-CZ 3.75Å; L2325-F2355 HydrophobicContact CB-CZ 3.98Å; L2325-F2355 HydrophobicContact CD1-CE1 3.88Å; L2325-F2355 HydrophobicContact CD1-CZ 4.04Å; V2326-F2355 HydrophobicContact CG2-CE2 4.22Å; V2326-F2355 HydrophobicContact CG2-CZ 4.5Å; L2351-F2355 HydrophobicContact CD1-CZ 4.3Å; L2351-F2355 HydrophobicContact CD2-CD2 4Å; L2351-F2355 HydrophobicContact CD2-CE1 4.4Å; L2351-F2355 HydrophobicContact CD2-CE2 3.53Å; L2351-F2355 VanDerWaalsContact CD2-CE2 3.41Å; L2351-F2355 HydrophobicContact CD2-CZ 3.73Å; L2351-F2355 HydrophobicContact CG-CE2 3.8Å; L2351-F2355 HydrophobicContact CG-CZ 4.18Å; L2351-F2355 WeakPolarHBondContact O-CD2 3.3Å; L2351-F2355 PolarHBondContact O-N 2.84Å; L2351-F2355 VanDerWaalsContact O-N 3.12Å; A2352-F2355 PolarHBondContact O-N 3.14Å; R2353-F2355 VanDerWaalsContact C-N 3.29Å; R2353-F2355 PolarHBondContact O-N 3.47Å; F2355-W2360 HydrophobicContact CD1-CB 3.51Å; F2355-W2360 VanDerWaalsContact CD1-CB 3.49Å; F2355-W2360 AromaticContact CD1-CD1 3.94Å; F2355-W2360 HydrophobicContact CD1-CD2 4.22Å; F2355-W2360 AromaticContact CD1-CG 3.62Å; F2355-W2360 HydrophobicContact CD1-CG 3.62Å; F2355-W2360 HydrophobicContact CE1-CB 3.78Å; F2355-W2360 HydrophobicContact CE1-CD2 4.41Å; F2355-W2360 HydrophobicContact CE1-CE3 4.42Å; F2355-W2360 HydrophobicContact CE1-CG 4.09Å; F2355-S2394 WeakPolarHBondContact CD2-OG 3.41Å; F2355-A2395 HydrophobicContact CB-CB 4.07Å; F2355-A2395 HydrophobicContact CD2-CB 4.41Å; F2355-C2398 VanDerWaalsContact CE2-SG 3.54Å
2356L85.6Confident78.8Confident60.6667 Ų60.666753.7 Ų53.732%0.31827%0.273SS..Hα-helixtrans-80.2-21.7178.8-63.7176.7000113.7A2352 R2353 S2354 V2392 A2395 M2417 L2421A2352-L2356 WeakPolarHBondContact O-CG 3.41Å; A2352-L2356 PolarHBondContact O-N 3.18Å; R2353-L2356 PolarHBondContact O-N 3.06Å; S2354-L2356 VanDerWaalsContact C-N 3.31Å; S2354-L2356 PolarHBondContact O-N 3.36Å; L2356-V2392 HydrophobicContact CD2-CG2 4.43Å; L2356-A2395 HydrophobicContact CD2-CB 3.78Å; L2356-A2395 HydrophobicContact CG-CB 4Å; L2356-M2417 HydrophobicContact CD1-CG 4.21Å; L2356-M2417 HydrophobicContact CD1-SD 3.95Å; L2356-L2421 HydrophobicContact CD1-CD1 4.45Å; L2356-L2421 HydrophobicContact CD1-CD2 4.04Å; L2356-L2421 HydrophobicContact CD2-CD2 3.67Å; L2356-L2421 HydrophobicContact CG-CD2 4.45Å
2357N84.8Confident76.3Confident93.3333 Ų93.333354.6 Ų54.650%0.49928%0.282SS..THydrogen-bonded Turntrans-97.93.4179.6-75.2-0.3000113.6R2353 S2354 T2359R2353-N2357 WeakPolarHBondContact O-CB 3.43Å; R2353-N2357 PolarHBondContact O-N 3.05Å; R2353-N2357 VanDerWaalsContact O-N 3.09Å; S2354-N2357 PolarHBondContact O-N 3.11Å; N2357-T2359 HydrophobicContact CB-CG2 4.13Å; N2357-T2359 PolarHBondContact O-N 3.13Å; N2357-T2359 VanDerWaalsContact O-N 3.14Å
2358D76.7Confident73.7Confident97 Ų9762.6 Ų62.652%0.51932%0.315SS..THydrogen-bonded Turntrans57.218.8-172.4-63.1-36.2000114.7S2354 W2360 L2391S2354-D2358 PolarHBondContact O-N 3.03Å; D2358-W2360 VanDerWaalsContact C-N 3.34Å; D2358-W2360 PolarHBondContact O-N 3.28Å; D2358-L2391 WeakPolarHBondContact OD1-CD1 3.4Å
2359T80Confident71.1Confident74.3333 Ų74.333371 Ų7146%0.45635%0.352SS..  trans-92.54.6-178.456.80000114.4S2354 N2357 W2361S2354-T2359 WeakPolarHBondContact CA-OG1 3.42Å; S2354-T2359 PolarHBondContact O-N 3.02Å; S2354-T2359 VanDerWaalsContact O-N 3.1Å; S2354-T2359 PolarHBondContact O-OG1 3.12Å; S2354-T2359 VanDerWaalsContact OG-C 3.25Å; S2354-T2359 PolarHBondContact OG-O 3.41Å; S2354-T2359 VanDerWaalsContact OG-O 3.09Å; S2354-T2359 PolarHBondContact OG-OG1 3.1Å; N2357-T2359 HydrophobicContact CB-CG2 4.13Å; N2357-T2359 PolarHBondContact O-N 3.13Å; N2357-T2359 VanDerWaalsContact O-N 3.14Å; T2359-W2361 VanDerWaalsContact C-N 3.31Å; T2359-W2361 PolarHBondContact O-N 2.94Å
2360W78.1Confident68.1Low16 Ų1672.2 Ų72.26%0.06137%0.37CS..SBendtrans-77.2-15.7-177.262.6-85.1000113.8Y2321 L2322 S2354 F2355 D2358 L2386 L2391Y2321-W2360 AromaticContact CD1-CE3 3.99Å; Y2321-W2360 HydrophobicContact CD1-CE3 4.09Å; Y2321-W2360 AromaticContact CD1-CZ3 3.96Å; Y2321-W2360 HydrophobicContact CD1-CZ3 3.99Å; Y2321-W2360 HydrophobicContact CE1-CE3 4.29Å; L2322-W2360 HydrophobicContact CB-CH2 4.49Å; L2322-W2360 HydrophobicContact CB-CZ3 4.23Å; L2322-W2360 HydrophobicContact CD1-CD2 4.27Å; L2322-W2360 HydrophobicContact CD1-CE3 4.13Å; L2322-W2360 HydrophobicContact CD1-CH2 4.47Å; L2322-W2360 HydrophobicContact CD1-CZ3 4.23Å; S2354-W2360 PolarHBondContact O-N 3.29Å; S2354-W2360 WeakPolarHBondContact OG-CA 3.4Å; S2354-W2360 PolarHBondContact OG-N 2.91Å; F2355-W2360 HydrophobicContact CD1-CB 3.51Å; F2355-W2360 VanDerWaalsContact CD1-CB 3.49Å; F2355-W2360 AromaticContact CD1-CD1 3.94Å; F2355-W2360 HydrophobicContact CD1-CD2 4.22Å; F2355-W2360 AromaticContact CD1-CG 3.62Å; F2355-W2360 HydrophobicContact CD1-CG 3.62Å; F2355-W2360 HydrophobicContact CE1-CB 3.78Å; F2355-W2360 HydrophobicContact CE1-CD2 4.41Å; F2355-W2360 HydrophobicContact CE1-CE3 4.42Å; F2355-W2360 HydrophobicContact CE1-CG 4.09Å; D2358-W2360 VanDerWaalsContact C-N 3.34Å; D2358-W2360 PolarHBondContact O-N 3.28Å; W2360-L2386 HydrophobicContact CH2-CD1 3.71Å; W2360-L2386 VanDerWaalsContact CH2-CD1 3.41Å; W2360-L2386 HydrophobicContact CH2-CD2 3.59Å; W2360-L2386 HydrophobicContact CH2-CG 4.37Å; W2360-L2386 HydrophobicContact CZ2-CD1 3.8Å; W2360-L2386 HydrophobicContact CZ2-CD2 3.8Å; W2360-L2386 HydrophobicContact CZ2-CG 4.42Å; W2360-L2386 HydrophobicContact CZ3-CD1 4.44Å; W2360-L2391 HydrophobicContact CD2-CD2 4.47Å; W2360-L2391 HydrophobicContact CH2-CD2 4.45Å; W2360-L2391 HydrophobicContact CZ2-CD2 3.64Å
2361W70.9Confident65.5Low15.6667 Ų15.666775.7 Ų75.76%0.05939%0.391CS..SBendtrans-98.5129.4-177.7-171.6-116.8000110.8L2199 I2203 I2314 I2317 Y2321 T2359 P2363 S2364 T2384L2199-W2361 HydrophobicContact CD1-CH2 4.08Å; L2199-W2361 HydrophobicContact CD1-CZ2 4.31Å; L2199-W2361 HydrophobicContact CD2-CH2 4.17Å; L2199-W2361 HydrophobicContact CD2-CZ2 4.16Å; I2203-W2361 HydrophobicContact CD1-CZ2 4.38Å; I2314-W2361 HydrophobicContact CG2-CH2 4.3Å; I2314-W2361 HydrophobicContact CG2-CZ2 4.11Å; I2317-W2361 HydrophobicContact CG2-CH2 4.48Å; Y2321-W2361 HydrophobicContact CD1-CE3 4.19Å; Y2321-W2361 HydrophobicContact CD1-CZ3 4.18Å; Y2321-W2361 HydrophobicContact CG-CZ3 4.26Å; T2359-W2361 VanDerWaalsContact C-N 3.31Å; T2359-W2361 PolarHBondContact O-N 2.94Å; W2361-P2363 VanDerWaalsContact C-N 3.35Å; W2361-P2363 VanDerWaalsContact CD1-CD 3.46Å; W2361-P2363 HydrophobicContact CE3-CG 4.46Å; W2361-P2363 HydrophobicContact CG-CG 4.42Å; W2361-P2363 HydrophobicContact CZ3-CG 4.4Å; W2361-P2363 WeakPolarHBondContact O-CD 3.38Å; W2361-P2363 VanDerWaalsContact O-N 3.11Å; W2361-S2364 WeakPolarHBondContact O-CB 3.5Å; W2361-S2364 PolarHBondContact O-N 3.21Å; W2361-S2364 VanDerWaalsContact O-N 3.12Å; W2361-S2364 PolarHBondContact O-OG 2.92Å; W2361-T2384 VanDerWaalsContact CD1-OG1 3.31Å; W2361-T2384 HydrophobicContact CD2-CG2 4.23Å; W2361-T2384 HydrophobicContact CG-CG2 4.34Å; W2361-T2384 HydrophobicContact CZ2-CG2 4.17Å; W2361-T2384 VanDerWaalsContact NE1-CG2 3.34Å; W2361-T2384 PolarHBondContact NE1-OG1 2.98Å
2362P64Low62.8Low26 Ų2679.3 Ų79.317%0.16942%0.418CS..SBendtrans-60.3-32.7-152.5-10.414.1000116.2F2196 Y2321 S2364 Y2365 F2366 I2382F2196-P2362 HydrophobicContact CD1-CB 3.95Å; F2196-P2362 HydrophobicContact CD1-CG 4.1Å; F2196-P2362 HydrophobicContact CE1-CB 3.87Å; F2196-P2362 HydrophobicContact CE1-CG 3.82Å; Y2321-P2362 HydrophobicContact CE1-CG 4.14Å; Y2321-P2362 HydrophobicContact CE2-CG 4.28Å; P2362-S2364 PolarHBondContact O-N 2.91Å; P2362-Y2365 PolarHBondContact O-N 3.06Å; P2362-Y2365 VanDerWaalsContact O-N 3.07Å; P2362-F2366 HydrophobicContact CB-CB 4.37Å; P2362-F2366 HydrophobicContact CB-CD2 3.96Å; P2362-F2366 HydrophobicContact CB-CG 4.17Å; P2362-I2382 HydrophobicContact CG-CB 4.37Å; P2362-I2382 HydrophobicContact CG-CD1 4.5Å; P2362-I2382 HydrophobicContact CG-CG2 4.16Å
2363P54.7Low60.1Low35.6667 Ų35.666787.2 Ų87.223%0.23246%0.455CS..  trans-54.9-7.4174.5-26.935.2000114.3F2196 I2203 Y2321 W2361 Y2365 F2366 T2367F2196-P2363 HydrophobicContact CD1-CB 3.91Å; F2196-P2363 HydrophobicContact CD1-CG 3.79Å; F2196-P2363 HydrophobicContact CE1-CB 3.42Å; F2196-P2363 VanDerWaalsContact CE1-CB 3.42Å; F2196-P2363 HydrophobicContact CE1-CG 3.31Å; F2196-P2363 HydrophobicContact CZ-CB 4.11Å; F2196-P2363 HydrophobicContact CZ-CG 4.33Å; I2203-P2363 HydrophobicContact CD1-CB 4.23Å; I2203-P2363 HydrophobicContact CD1-CG 3.75Å; I2203-P2363 VanDerWaalsContact CD1-CG 3.45Å; Y2321-P2363 HydrophobicContact CE1-CG 4.15Å; W2361-P2363 VanDerWaalsContact C-N 3.35Å; W2361-P2363 VanDerWaalsContact CD1-CD 3.46Å; W2361-P2363 HydrophobicContact CE3-CG 4.46Å; W2361-P2363 HydrophobicContact CG-CG 4.42Å; W2361-P2363 HydrophobicContact CZ3-CG 4.4Å; W2361-P2363 WeakPolarHBondContact O-CD 3.38Å; W2361-P2363 VanDerWaalsContact O-N 3.11Å; P2363-Y2365 VanDerWaalsContact C-N 3.34Å; P2363-Y2365 PolarHBondContact O-N 3.26Å; P2363-F2366 HydrophobicContact CB-CD2 4.13Å; P2363-F2366 HydrophobicContact CB-CE2 4.43Å; P2363-F2366 HydrophobicContact CG-CD2 4.2Å; P2363-F2366 HydrophobicContact CG-CE2 4.11Å; P2363-F2366 WeakPolarHBondContact O-CB 2.96Å; P2363-F2366 WeakPolarHBondContact O-CD2 3.1Å; P2363-F2366 PolarHBondContact O-N 3.48Å; P2363-T2367 PolarHBondContact O-OG1 3.37Å
2364S50.7Low57.2Low55.3333 Ų55.333389.2 Ų89.239%0.38748%0.475SS..THydrogen-bonded Turntrans-67.8-23.2177.123.50000114.2W2361 P2362 F2366 T2367W2361-S2364 WeakPolarHBondContact O-CB 3.5Å; W2361-S2364 PolarHBondContact O-N 3.21Å; W2361-S2364 VanDerWaalsContact O-N 3.12Å; W2361-S2364 PolarHBondContact O-OG 2.92Å; P2362-S2364 PolarHBondContact O-N 2.91Å; S2364-F2366 PolarHBondContact O-N 3.26Å; S2364-F2366 VanDerWaalsContact O-N 3.08Å; S2364-T2367 PolarHBondContact O-N 2.86Å; S2364-T2367 PolarHBondContact O-OG1 2.99Å
2365Y45.7Very low54.7Low128.667 Ų128.66796.4 Ų96.451%0.50551%0.505SS..Hα-helixtrans-74.7-28.4179.6-90.6-95000113.5D2188 F2196 P2362 P2363 T2367D2188-Y2365 HydrophobicContact CB-CE2 4.33Å; F2196-Y2365 AromaticContact CD2-CD2 3.85Å; F2196-Y2365 HydrophobicContact CD2-CD2 3.85Å; F2196-Y2365 HydrophobicContact CD2-CE2 4.29Å; F2196-Y2365 HydrophobicContact CD2-CG 4.28Å; F2196-Y2365 AromaticContact CE2-CD2 3.64Å; F2196-Y2365 HydrophobicContact CE2-CD2 3.64Å; F2196-Y2365 AromaticContact CE2-CE2 3.81Å; F2196-Y2365 HydrophobicContact CE2-CE2 3.81Å; F2196-Y2365 HydrophobicContact CE2-CG 4.49Å; F2196-Y2365 HydrophobicContact CG-CD2 4.39Å; F2196-Y2365 HydrophobicContact CZ-CD2 4.02Å; F2196-Y2365 HydrophobicContact CZ-CE2 4.37Å; P2362-Y2365 PolarHBondContact O-N 3.06Å; P2362-Y2365 VanDerWaalsContact O-N 3.07Å; P2363-Y2365 VanDerWaalsContact C-N 3.34Å; P2363-Y2365 PolarHBondContact O-N 3.26Å; Y2365-T2367 VanDerWaalsContact C-N 3.34Å; Y2365-T2367 PolarHBondContact O-N 3.43Å
2366F44.5Very low52Low115.333 Ų115.333105.6 Ų105.651%0.50655%0.548SS..Hα-helixtrans-72.8-24.5-179.4-79.1-85.6000113.9F2196 L2199 I2203 P2362 P2363 S2364 F2368F2196-F2366 HydrophobicContact CD1-CE2 4.39Å; L2199-F2366 HydrophobicContact CB-CZ 3.84Å; I2203-F2366 HydrophobicContact CB-CE1 4.47Å; I2203-F2366 HydrophobicContact CD1-CE1 3.6Å; I2203-F2366 HydrophobicContact CD1-CZ 3.67Å; P2362-F2366 HydrophobicContact CB-CB 4.37Å; P2362-F2366 HydrophobicContact CB-CD2 3.96Å; P2362-F2366 HydrophobicContact CB-CG 4.17Å; P2363-F2366 HydrophobicContact CB-CD2 4.13Å; P2363-F2366 HydrophobicContact CB-CE2 4.43Å; P2363-F2366 HydrophobicContact CG-CD2 4.2Å; P2363-F2366 HydrophobicContact CG-CE2 4.11Å; P2363-F2366 WeakPolarHBondContact O-CB 2.96Å; P2363-F2366 WeakPolarHBondContact O-CD2 3.1Å; P2363-F2366 PolarHBondContact O-N 3.48Å; S2364-F2366 PolarHBondContact O-N 3.26Å; S2364-F2366 VanDerWaalsContact O-N 3.08Å; F2366-F2368 VanDerWaalsContact C-N 3.35Å; F2366-F2368 PolarHBondContact O-N 3.41Å
2367T41.9Very low49.3Very low108.667 Ų108.667107.8 Ų107.867%0.66757%0.566SS**Hα-helixtrans-76.1-20.2-178.431.50000114P2363 S2364 Y2365P2363-T2367 PolarHBondContact O-OG1 3.37Å; S2364-T2367 PolarHBondContact O-N 2.86Å; S2364-T2367 PolarHBondContact O-OG1 2.99Å; Y2365-T2367 VanDerWaalsContact C-N 3.34Å; Y2365-T2367 PolarHBondContact O-N 3.43Å
2368F39.9Very low46.7Very low186.667 Ų186.667109.8 Ų109.882%0.81958%0.577SS**Hα-helixtrans-93.9-13-173.4-100.1-83.1000115.9F2366F2366-F2368 VanDerWaalsContact C-N 3.35Å; F2366-F2368 PolarHBondContact O-N 3.41Å
2369K37.6Very low44.7Very low177 Ų177110.3 Ų110.377%0.7759%0.588SS**SBendtrans-93.412.4-175.1-78.6-173.1176.6177.90115.8P2371K2369-P2371 VanDerWaalsContact C-CD 3.5Å; K2369-P2371 VanDerWaalsContact O-CD 3.27Å; K2369-P2371 WeakPolarHBondContact O-CD 3.35Å
2370S32.9Very low42.7Very low94.6667 Ų94.6667114.3 Ų114.366%0.66260%0.602SS**  trans-115.883.4176.3-98.50000113S2372S2370-S2372 VanDerWaalsContact C-N 3.3Å; S2370-S2372 PolarHBondContact O-N 3.29Å
2371P35.9Very low41Very low130.667 Ų130.667120.1 Ų120.185%0.84863%0.629SS**  trans-83.342.3178.932.4-30.4000113.4K2369K2369-P2371 VanDerWaalsContact C-CD 3.5Å; K2369-P2371 VanDerWaalsContact O-CD 3.27Å; K2369-P2371 WeakPolarHBondContact O-CD 3.35Å
2372S35.1Very low39.8Very low90 Ų90123.4 Ų123.463%0.62965%0.647SS**  trans-152.7116.3175.466.90000114S2370S2370-S2372 VanDerWaalsContact C-N 3.3Å; S2370-S2372 PolarHBondContact O-N 3.29Å
2373Q35.7Very low39.1Very low167.667 Ų167.667129.7 Ų129.778%0.78367%0.672SS**  trans98103156.5-71-176.834.400115.5K2375Q2373-K2375 PolarHBondContact O-N 3.25Å
2374N31.2Very low39.2Very low177.333 Ų177.333129.6 Ų129.695%0.94867%0.671SS**  trans-38.678.3152.3-78.4-11.7000113.9
2375K33.9Very low39.6Very low172.667 Ų172.667131.1 Ų131.175%0.75168%0.681SS**  trans-130.6126.5159.2-76.5-176.9177.5173.40108.5Q2373 C2377Q2373-K2375 PolarHBondContact O-N 3.25Å; K2375-C2377 PolarHBondContact O-N 3.08Å; K2375-C2377 VanDerWaalsContact O-N 3.17Å
2376Q31.5Very low41Very low195 Ų195125.6 Ų125.691%0.91166%0.661SS**  trans-57.6109160.9-74.3164.8-82.600107.1D2378Q2376-D2378 PolarHBondContact O-N 3.06Å; Q2376-D2378 VanDerWaalsContact O-N 3.13Å
2377C29.1Very low42.4Very low105.333 Ų105.333122.2 Ų122.271%0.71265%0.65SS**  trans-110.7111.6170.2-1400000105.1K2375 S2379K2375-C2377 PolarHBondContact O-N 3.08Å; K2375-C2377 VanDerWaalsContact O-N 3.17Å; C2377-S2379 VanDerWaalsContact C-N 3.32Å; C2377-S2379 PolarHBondContact O-N 3.22Å; C2377-S2379 PolarHBondContact O-OG 2.97Å
2378D31.2Very low44Very low136.667 Ų136.667124.5 Ų124.573%0.73165%0.651SS**  trans-58.9106-172.9-64.1-53000110Q2376 E2380 Q2381Q2376-D2378 PolarHBondContact O-N 3.06Å; Q2376-D2378 VanDerWaalsContact O-N 3.13Å; D2378-E2380 VanDerWaalsContact C-N 3.27Å; D2378-E2380 HydrophobicContact CB-CB 4.38Å; D2378-E2380 PolarHBondContact O-N 3.11Å; D2378-Q2381 PolarHBondContact O-N 3.41Å
2379S35.1Very low45.9Very low106.667 Ų106.667118.5 Ų118.575%0.74663%0.632SS**  trans-71.856.4-178-60.40000110.7C2377 Q2381C2377-S2379 VanDerWaalsContact C-N 3.32Å; C2377-S2379 PolarHBondContact O-N 3.22Å; C2377-S2379 PolarHBondContact O-OG 2.97Å; S2379-Q2381 VanDerWaalsContact C-N 3.31Å; S2379-Q2381 PolarHBondContact O-N 3.28Å
2380E36.9Very low48.1Very low157.667 Ų157.667112.4 Ų112.474%0.73761%0.61SS**  trans-61.155.9168.8-73.4-145137.900110.8D2378 I2382 K2383D2378-E2380 VanDerWaalsContact C-N 3.27Å; D2378-E2380 HydrophobicContact CB-CB 4.38Å; D2378-E2380 PolarHBondContact O-N 3.11Å; E2380-I2382 PolarHBondContact O-N 3.14Å; E2380-K2383 IonicContact OE1-NZ 3.39Å; E2380-K2383 PolarHBondContact OE1-NZ 3.03Å
2381Q41.7Very low50.6Low138.333 Ų138.333108.4 Ų108.465%0.64658%0.581SS**  trans-69.677179.6-69.4-175.6-27.100111.5K2208 D2378 S2379 K2383K2208-Q2381 VanDerWaalsContact NZ-NE2 3.16Å; D2378-Q2381 PolarHBondContact O-N 3.41Å; S2379-Q2381 VanDerWaalsContact C-N 3.31Å; S2379-Q2381 PolarHBondContact O-N 3.28Å; Q2381-K2383 VanDerWaalsContact C-N 3.26Å; Q2381-K2383 HydrophobicContact CB-CG 4.4Å; Q2381-K2383 PolarHBondContact O-N 3.46Å
2382I46.7Very low53Low85 Ų85103.8 Ų103.844%0.43655%0.55SS.*  trans-81.673.5174.3-53.1170.8000108.8I2203 P2362 E2380 T2384I2203-I2382 HydrophobicContact CB-CD1 4.49Å; I2203-I2382 HydrophobicContact CD1-CG2 4.21Å; I2203-I2382 HydrophobicContact CG1-CD1 4.25Å; I2203-I2382 HydrophobicContact CG2-CD1 3.65Å; I2203-I2382 HydrophobicContact CG2-CG1 3.86Å; P2362-I2382 HydrophobicContact CG-CB 4.37Å; P2362-I2382 HydrophobicContact CG-CD1 4.5Å; P2362-I2382 HydrophobicContact CG-CG2 4.16Å; E2380-I2382 PolarHBondContact O-N 3.14Å; I2382-T2384 PolarHBondContact O-N 3.16Å
2383K49.8Very low55.6Low158 Ų158100.3 Ų100.369%0.68753%0.528SS*.  trans-78.293.1175.7-71.1173.8-176.4170.50108.9E2380 Q2381 S2385E2380-K2383 IonicContact OE1-NZ 3.39Å; E2380-K2383 PolarHBondContact OE1-NZ 3.03Å; Q2381-K2383 VanDerWaalsContact C-N 3.26Å; Q2381-K2383 HydrophobicContact CB-CG 4.4Å; Q2381-K2383 PolarHBondContact O-N 3.46Å; K2383-S2385 PolarHBondContact O-N 3.18Å; K2383-S2385 VanDerWaalsContact O-N 3.13Å
2384T55.9Low58.1Low33.6667 Ų33.666792.5 Ų92.521%0.20749%0.492CS..  trans-63.8113.8166.741.60000108.9I2314 W2361 I2382 L2386I2314-T2384 HydrophobicContact CB-CG2 3.69Å; I2314-T2384 HydrophobicContact CG2-CG2 3.82Å; W2361-T2384 VanDerWaalsContact CD1-OG1 3.31Å; W2361-T2384 HydrophobicContact CD2-CG2 4.23Å; W2361-T2384 HydrophobicContact CG-CG2 4.34Å; W2361-T2384 HydrophobicContact CZ2-CG2 4.17Å; W2361-T2384 VanDerWaalsContact NE1-CG2 3.34Å; W2361-T2384 PolarHBondContact NE1-OG1 2.98Å; I2382-T2384 PolarHBondContact O-N 3.16Å; T2384-L2386 PolarHBondContact O-N 3.17Å; T2384-L2386 VanDerWaalsContact O-N 3.16Å
2385S60Low61Low87 Ų8784 Ų8461%0.60845%0.447SS*.  trans-83.757.9-171.261.50000112.7R1629 K2383R1629-S2385 PolarHBondContact NH2-O 3.04Å; K2383-S2385 PolarHBondContact O-N 3.18Å; K2383-S2385 VanDerWaalsContact O-N 3.13Å
2386L73.6Confident63.8Low14 Ų1475.8 Ų75.87%0.07341%0.411CS..  trans-61.8146.5171.6-72106.9000110E2315 S2318 L2319 L2322 W2360 T2384 K2388 L2391E2315-L2386 HydrophobicContact CG-CD2 4.01Å; S2318-L2386 VanDerWaalsContact OG-CD1 3.26Å; S2318-L2386 WeakPolarHBondContact OG-CD1 3.43Å; S2318-L2386 WeakPolarHBondContact OG-CG 3.33Å; L2319-L2386 HydrophobicContact CB-CD2 4.2Å; L2319-L2386 HydrophobicContact CD1-CD2 4.28Å; L2322-L2386 HydrophobicContact CD2-CD1 3.93Å; L2322-L2386 HydrophobicContact CD2-CD2 4.04Å; W2360-L2386 HydrophobicContact CH2-CD1 3.71Å; W2360-L2386 VanDerWaalsContact CH2-CD1 3.41Å; W2360-L2386 HydrophobicContact CH2-CD2 3.59Å; W2360-L2386 HydrophobicContact CH2-CG 4.37Å; W2360-L2386 HydrophobicContact CZ2-CD1 3.8Å; W2360-L2386 HydrophobicContact CZ2-CD2 3.8Å; W2360-L2386 HydrophobicContact CZ2-CG 4.42Å; W2360-L2386 HydrophobicContact CZ3-CD1 4.44Å; T2384-L2386 PolarHBondContact O-N 3.17Å; T2384-L2386 VanDerWaalsContact O-N 3.16Å; L2386-K2388 PolarHBondContact O-N 3.32Å; L2386-L2391 HydrophobicContact CB-CD2 4.49Å; L2386-L2391 HydrophobicContact CB-CG 4.45Å; L2386-L2391 HydrophobicContact CD1-CD2 4.36Å; L2386-L2391 HydrophobicContact CD2-CD2 4.35Å
2387P74.6Confident66.8Low43 Ų4367.9 Ų67.928%0.27937%0.374SS..  trans-63.7127.7174.911.4-12.7000110.3L1627 S2389 T2390 L2391L1627-P2387 HydrophobicContact CD2-CB 4.1Å; L1627-P2387 HydrophobicContact CD2-CG 3.55Å; P2387-S2389 PolarHBondContact O-N 2.85Å; P2387-T2390 WeakPolarHBondContact O-CB 3.43Å; P2387-T2390 PolarHBondContact O-N 2.98Å; P2387-L2391 PolarHBondContact O-N 3.27Å
2388K76.7Confident69.9Low158.333 Ų158.33362.9 Ų62.969%0.68834%0.34SS*.Hα-helixtrans-53.1-29.1-179.1-68.5-171.3175-169.40113.6L2386 T2390 L2391 V2392L2386-K2388 PolarHBondContact O-N 3.32Å; K2388-T2390 VanDerWaalsContact C-N 3.3Å; K2388-T2390 PolarHBondContact O-N 3.13Å; K2388-L2391 PolarHBondContact O-N 3.1Å; K2388-V2392 WeakPolarHBondContact O-CB 3.4Å; K2388-V2392 VanDerWaalsContact O-CG2 3.29Å; K2388-V2392 WeakPolarHBondContact O-CG2 3.35Å; K2388-V2392 PolarHBondContact O-N 3.44Å; K2388-V2392 VanDerWaalsContact O-N 3.08Å
2389S77.8Confident72.9Confident60.6667 Ų60.666756.3 Ų56.342%0.42431%0.305SS..Hα-helixtrans-60.2-36.4174.549.20000113.3P2387 G2393P2387-S2389 PolarHBondContact O-N 2.85Å; S2389-G2393 PolarHBondContact O-N 3.21Å; S2389-G2393 VanDerWaalsContact O-N 3.08Å
2390T83.6Confident75.8Confident48 Ų4851.6 Ų51.629%0.29427%0.272SS..Hα-helixtrans-73.3-41.1178.9-55.10000110.7L2319 L2322 P2387 K2388 V2392 G2393 S2394L2319-T2390 HydrophobicContact CD1-CG2 3.9Å; L2322-T2390 HydrophobicContact CD2-CG2 3.92Å; P2387-T2390 WeakPolarHBondContact O-CB 3.43Å; P2387-T2390 PolarHBondContact O-N 2.98Å; K2388-T2390 VanDerWaalsContact C-N 3.3Å; K2388-T2390 PolarHBondContact O-N 3.13Å; T2390-V2392 PolarHBondContact O-N 3.16Å; T2390-G2393 CarbonylContact O-C 3.6Å; T2390-G2393 WeakPolarHBondContact O-CA 3.37Å; T2390-G2393 PolarHBondContact O-N 2.94Å; T2390-G2393 VanDerWaalsContact O-N 3.14Å; T2390-S2394 PolarHBondContact O-N 3.09Å; T2390-S2394 PolarHBondContact O-OG 3.17Å
2391L86.9Confident78.6Confident11 Ų1144.1 Ų44.16%0.05824%0.237CC..Hα-helixtrans-64.3-40.1175.5-65.7174.6000112.7L2322 D2358 W2360 L2386 P2387 K2388 G2393 S2394 A2395L2322-L2391 HydrophobicContact CD1-CD2 4.11Å; L2322-L2391 HydrophobicContact CD2-CD2 3.94Å; D2358-L2391 WeakPolarHBondContact OD1-CD1 3.4Å; W2360-L2391 HydrophobicContact CD2-CD2 4.47Å; W2360-L2391 HydrophobicContact CH2-CD2 4.45Å; W2360-L2391 HydrophobicContact CZ2-CD2 3.64Å; L2386-L2391 HydrophobicContact CB-CD2 4.49Å; L2386-L2391 HydrophobicContact CB-CG 4.45Å; L2386-L2391 HydrophobicContact CD1-CD2 4.36Å; L2386-L2391 HydrophobicContact CD2-CD2 4.35Å; P2387-L2391 PolarHBondContact O-N 3.27Å; K2388-L2391 PolarHBondContact O-N 3.1Å; L2391-G2393 VanDerWaalsContact C-N 3.29Å; L2391-G2393 PolarHBondContact O-N 3.18Å; L2391-S2394 WeakPolarHBondContact CA-OG 3.3Å; L2391-S2394 PolarHBondContact O-N 3.21Å; L2391-S2394 PolarHBondContact O-OG 3.05Å; L2391-S2394 VanDerWaalsContact O-OG 3.05Å; L2391-A2395 VanDerWaalsContact O-CB 3.26Å; L2391-A2395 WeakPolarHBondContact O-CB 3.27Å; L2391-A2395 PolarHBondContact O-N 3.07Å
2392V86.2Confident81.2Confident34.6667 Ų34.666737.6 Ų37.621%0.2121%0.207CC..Hα-helixtrans-68.8-32.6172.5177.70000111.4L2356 K2388 T2390 A2396 L2421 H2425 L2494L2356-V2392 HydrophobicContact CD2-CG2 4.43Å; K2388-V2392 WeakPolarHBondContact O-CB 3.4Å; K2388-V2392 VanDerWaalsContact O-CG2 3.29Å; K2388-V2392 WeakPolarHBondContact O-CG2 3.35Å; K2388-V2392 PolarHBondContact O-N 3.44Å; K2388-V2392 VanDerWaalsContact O-N 3.08Å; T2390-V2392 PolarHBondContact O-N 3.16Å; V2392-A2396 VanDerWaalsContact O-CB 3.3Å; V2392-A2396 WeakPolarHBondContact O-CB 3.37Å; V2392-A2396 PolarHBondContact O-N 3.06Å; V2392-L2421 HydrophobicContact CG1-CD1 4.23Å; V2392-L2421 HydrophobicContact CG1-CD2 4.19Å; V2392-H2425 VanDerWaalsContact CG1-NE2 3.33Å; V2392-H2425 WeakPolarHBondContact CG1-NE2 3.41Å; V2392-L2494 HydrophobicContact CG1-CD1 4.39Å; V2392-L2494 HydrophobicContact CG1-CD2 3.91Å
2393G88.3Confident83.5Confident15.6667 Ų15.666733.6 Ų33.616%0.16219%0.186CC..Hα-helixtrans-61.5-51.2172.100000112.9S2389 T2390 L2391 A2396 Q2397S2389-G2393 PolarHBondContact O-N 3.21Å; S2389-G2393 VanDerWaalsContact O-N 3.08Å; T2390-G2393 CarbonylContact O-C 3.6Å; T2390-G2393 WeakPolarHBondContact O-CA 3.37Å; T2390-G2393 PolarHBondContact O-N 2.94Å; T2390-G2393 VanDerWaalsContact O-N 3.14Å; L2391-G2393 VanDerWaalsContact C-N 3.29Å; L2391-G2393 PolarHBondContact O-N 3.18Å; G2393-A2396 PolarHBondContact O-N 3.08Å; G2393-Q2397 WeakPolarHBondContact O-CG 3.46Å; G2393-Q2397 PolarHBondContact O-N 3.16Å
2394S90.2Very high85.6Confident3 Ų326.1 Ų26.12%0.02115%0.153CC..Hα-helixtrans-64.6-41.3177.361.30000112.4V2326 F2355 T2390 L2391 A2396 Q2397 C2398V2326-S2394 VanDerWaalsContact CG2-CB 3.44Å; F2355-S2394 WeakPolarHBondContact CD2-OG 3.41Å; T2390-S2394 PolarHBondContact O-N 3.09Å; T2390-S2394 PolarHBondContact O-OG 3.17Å; L2391-S2394 WeakPolarHBondContact CA-OG 3.3Å; L2391-S2394 PolarHBondContact O-N 3.21Å; L2391-S2394 PolarHBondContact O-OG 3.05Å; L2391-S2394 VanDerWaalsContact O-OG 3.05Å; S2394-A2396 VanDerWaalsContact C-N 3.31Å; S2394-A2396 PolarHBondContact O-N 3.02Å; S2394-Q2397 PolarHBondContact O-N 3.12Å; S2394-C2398 PolarHBondContact O-N 3.05Å; S2394-C2398 PolarHBondContact O-SG 3.04Å; S2394-C2398 VanDerWaalsContact O-SG 3.36Å
2395A91.9Very high87.4Confident0 Ų024.5 Ų24.50%014%0.143CC..Hα-helixtrans-59.7-41.1172.800000111.8F2355 L2356 L2391 Q2397 C2398 L2399F2355-A2395 HydrophobicContact CB-CB 4.07Å; F2355-A2395 HydrophobicContact CD2-CB 4.41Å; L2356-A2395 HydrophobicContact CD2-CB 3.78Å; L2356-A2395 HydrophobicContact CG-CB 4Å; L2391-A2395 VanDerWaalsContact O-CB 3.26Å; L2391-A2395 WeakPolarHBondContact O-CB 3.27Å; L2391-A2395 PolarHBondContact O-N 3.07Å; A2395-Q2397 VanDerWaalsContact C-N 3.34Å; A2395-Q2397 PolarHBondContact O-N 3.13Å; A2395-C2398 PolarHBondContact O-N 2.93Å; A2395-L2399 WeakPolarHBondContact O-CB 3.42Å; A2395-L2399 VanDerWaalsContact O-CG 3.27Å; A2395-L2399 WeakPolarHBondContact O-CG 3.33Å; A2395-L2399 PolarHBondContact O-N 3.21Å
2396A92.3Very high89Confident0.666667 Ų0.66666721.1 Ų21.11%0.00612%0.118CC..Hα-helixtrans-67.4-37.5175.700000112.4V2392 G2393 S2394 C2398 L2399 L2400 L2494 L2497 L2498V2392-A2396 VanDerWaalsContact O-CB 3.3Å; V2392-A2396 WeakPolarHBondContact O-CB 3.37Å; V2392-A2396 PolarHBondContact O-N 3.06Å; G2393-A2396 PolarHBondContact O-N 3.08Å; S2394-A2396 VanDerWaalsContact C-N 3.31Å; S2394-A2396 PolarHBondContact O-N 3.02Å; A2396-C2398 VanDerWaalsContact C-N 3.32Å; A2396-C2398 PolarHBondContact O-N 3.02Å; A2396-L2399 CarbonylContact O-C 3.55Å; A2396-L2399 WeakPolarHBondContact O-CA 3.49Å; A2396-L2399 WeakPolarHBondContact O-CB 3.44Å; A2396-L2399 PolarHBondContact O-N 2.97Å; A2396-L2399 VanDerWaalsContact O-N 3.07Å; A2396-L2400 PolarHBondContact O-N 3.02Å; A2396-L2494 HydrophobicContact CB-CD1 3.48Å; A2396-L2494 VanDerWaalsContact CB-CD1 3.48Å; A2396-L2497 HydrophobicContact CB-CD2 3.62Å; A2396-L2497 HydrophobicContact CB-CG 4.26Å; A2396-L2497 WeakPolarHBondContact O-CD2 3.38Å; A2396-L2498 HydrophobicContact CB-CD2 3.96Å
2397Q94Very high89.9Confident27.6667 Ų27.666720.5 Ų20.513%0.12912%0.115CC..Hα-helixtrans-64.4-39.7174.2-73.1166.6-40.700111.6V2326 G2393 S2394 A2395 L2400 A2401 L2497 P2530V2326-Q2397 HydrophobicContact CG1-CB 3.87Å; V2326-Q2397 HydrophobicContact CG1-CG 4.45Å; V2326-Q2397 VanDerWaalsContact CG1-OE1 3.26Å; G2393-Q2397 WeakPolarHBondContact O-CG 3.46Å; G2393-Q2397 PolarHBondContact O-N 3.16Å; S2394-Q2397 PolarHBondContact O-N 3.12Å; A2395-Q2397 VanDerWaalsContact C-N 3.34Å; A2395-Q2397 PolarHBondContact O-N 3.13Å; Q2397-L2400 WeakPolarHBondContact O-CB 3.4Å; Q2397-L2400 PolarHBondContact O-N 3.1Å; Q2397-A2401 PolarHBondContact O-N 3.23Å; Q2397-L2497 HydrophobicContact CB-CD2 4.42Å; Q2397-L2497 HydrophobicContact CG-CD1 3.8Å; Q2397-L2497 HydrophobicContact CG-CD2 3.7Å; Q2397-P2530 PolarHBondContact NE2-O 2.85Å; Q2397-P2530 VanDerWaalsContact NE2-O 3.08Å
2398C94.4Very high90.5Very high0.333333 Ų0.33333318.8 Ų18.80%0.00211%0.106CC..Hα-helixtrans-69.6-33.6173.7-64.80000112.8A2329 L2351 A2352 F2355 S2394 A2395 A2396 L2400 A2401 L2402A2329-C2398 VanDerWaalsContact CB-SG 3.54Å; L2351-C2398 HydrophobicContact CD2-CB 4.05Å; L2351-C2398 WeakPolarHBondContact CD2-SG 3.35Å; A2352-C2398 HydrophobicContact CB-CB 4.12Å; F2355-C2398 VanDerWaalsContact CE2-SG 3.54Å; S2394-C2398 PolarHBondContact O-N 3.05Å; S2394-C2398 PolarHBondContact O-SG 3.04Å; S2394-C2398 VanDerWaalsContact O-SG 3.36Å; A2395-C2398 PolarHBondContact O-N 2.93Å; A2396-C2398 VanDerWaalsContact C-N 3.32Å; A2396-C2398 PolarHBondContact O-N 3.02Å; C2398-L2400 VanDerWaalsContact C-N 3.34Å; C2398-A2401 WeakPolarHBondContact O-CB 3.27Å; C2398-A2401 PolarHBondContact O-N 3.12Å; C2398-L2402 WeakPolarHBondContact O-CB 3.38Å; C2398-L2402 PolarHBondContact O-N 3.05Å
2399L94.6Very high91.1Very high0 Ų013.3 Ų13.30%09%0.088CC..Hα-helixtrans-66.2-34.7170.5-76.7171.1000112.4A2352 A2395 A2396 L2402 A2403 V2414 M2417 V2418 L2421 T2501A2352-L2399 HydrophobicContact CB-CD2 4.3Å; A2352-L2399 HydrophobicContact CB-CG 4.37Å; A2395-L2399 WeakPolarHBondContact O-CB 3.42Å; A2395-L2399 VanDerWaalsContact O-CG 3.27Å; A2395-L2399 WeakPolarHBondContact O-CG 3.33Å; A2395-L2399 PolarHBondContact O-N 3.21Å; A2396-L2399 CarbonylContact O-C 3.55Å; A2396-L2399 WeakPolarHBondContact O-CA 3.49Å; A2396-L2399 WeakPolarHBondContact O-CB 3.44Å; A2396-L2399 PolarHBondContact O-N 2.97Å; A2396-L2399 VanDerWaalsContact O-N 3.07Å; L2399-L2402 PolarHBondContact O-N 3.44Å; L2399-A2403 WeakPolarHBondContact O-CB 3.41Å; L2399-A2403 PolarHBondContact O-N 3.47Å; L2399-V2414 HydrophobicContact CD2-CG1 3.94Å; L2399-M2417 HydrophobicContact CD1-CG 4.04Å; L2399-M2417 HydrophobicContact CD1-SD 3.86Å; L2399-M2417 HydrophobicContact CD2-CB 4.37Å; L2399-M2417 HydrophobicContact CD2-CE 3.82Å; L2399-M2417 HydrophobicContact CD2-CG 4.47Å; L2399-M2417 HydrophobicContact CD2-SD 3.62Å; L2399-M2417 HydrophobicContact CG-SD 4.16Å; L2399-V2418 HydrophobicContact CD1-CG2 4.24Å; L2399-V2418 HydrophobicContact CD2-CG2 4.29Å; L2399-L2421 HydrophobicContact CD1-CD1 3.53Å; L2399-T2501 HydrophobicContact CB-CG2 4.25Å; L2399-T2501 WeakPolarHBondContact O-CG2 3.3Å
2400L95.1Very high91.5Very high6.66667 Ų6.6666710.9 Ų10.94%0.0357%0.072CC..Hα-helixtrans-63.8-46.4170.7-17675000110.9A2396 Q2397 C2398 L2402 A2403 M2404 L2497 N2500 L2504 F2528A2396-L2400 PolarHBondContact O-N 3.02Å; Q2397-L2400 WeakPolarHBondContact O-CB 3.4Å; Q2397-L2400 PolarHBondContact O-N 3.1Å; C2398-L2400 VanDerWaalsContact C-N 3.34Å; L2400-L2402 VanDerWaalsContact C-N 3.32Å; L2400-L2402 PolarHBondContact O-N 3.19Å; L2400-A2403 CarbonylContact O-C 3.46Å; L2400-A2403 PolarHBondContact O-N 3.07Å; L2400-A2403 VanDerWaalsContact O-N 3.12Å; L2400-M2404 WeakPolarHBondContact O-CG 3.49Å; L2400-M2404 PolarHBondContact O-N 3.08Å; L2400-L2497 HydrophobicContact CB-CD1 4.02Å; L2400-L2497 HydrophobicContact CB-CD2 4.09Å; L2400-L2497 HydrophobicContact CB-CG 4.34Å; L2400-L2497 HydrophobicContact CD1-CD1 4.11Å; L2400-L2497 HydrophobicContact CD2-CD1 3.64Å; L2400-L2497 HydrophobicContact CD2-CG 4.1Å; L2400-L2497 HydrophobicContact CG-CD1 3.88Å; L2400-N2500 HydrophobicContact CD1-CB 4.06Å; L2400-L2504 HydrophobicContact CD1-CD1 3.78Å; L2400-F2528 HydrophobicContact CD1-CD1 4.1Å; L2400-F2528 HydrophobicContact CD1-CE1 4.15Å; L2400-F2528 HydrophobicContact CD2-CB 3.87Å; L2400-F2528 HydrophobicContact CD2-CD1 3.77Å; L2400-F2528 HydrophobicContact CD2-CG 3.94Å; L2400-F2528 HydrophobicContact CG-CD1 4.39Å
2401A96Very high91.9Very high0.5 Ų0.511.1 Ų11.10%0.0047%0.071CC..Hα-helixtrans-57.2-44.8175.300000112.2A2329 L2330 L2348 Q2397 C2398 A2403 M2404 I2405A2329-A2401 WeakPolarHBondContact O-CB 3.3Å; L2330-A2401 HydrophobicContact CD2-CB 4.28Å; L2348-A2401 HydrophobicContact CD1-CB 3.91Å; Q2397-A2401 PolarHBondContact O-N 3.23Å; C2398-A2401 WeakPolarHBondContact O-CB 3.27Å; C2398-A2401 PolarHBondContact O-N 3.12Å; A2401-A2403 VanDerWaalsContact C-N 3.33Å; A2401-A2403 PolarHBondContact O-N 3.18Å; A2401-M2404 HydrophobicContact CB-CE 4.26Å; A2401-M2404 WeakPolarHBondContact O-CB 3.17Å; A2401-M2404 PolarHBondContact O-N 2.96Å; A2401-M2404 VanDerWaalsContact O-N 3.11Å; A2401-I2405 PolarHBondContact O-N 2.99Å
2402L95.8Very high92.1Very high2.5 Ų2.514.7 Ų14.71%0.0139%0.09CC..Hα-helixtrans-63.9-37175.6-175.7150.6000112.4A2345 L2348 Y2349 C2398 L2399 L2400 M2404 I2405 L2406 V2414A2345-L2402 WeakPolarHBondContact O-CD1 3.18Å; L2348-L2402 HydrophobicContact CB-CB 4.06Å; L2348-L2402 HydrophobicContact CB-CD1 4.03Å; L2348-L2402 HydrophobicContact CB-CG 4.42Å; L2348-L2402 HydrophobicContact CD1-CB 4.27Å; Y2349-L2402 HydrophobicContact CD2-CD1 4.38Å; Y2349-L2402 HydrophobicContact CG-CD1 4.48Å; C2398-L2402 WeakPolarHBondContact O-CB 3.38Å; C2398-L2402 PolarHBondContact O-N 3.05Å; L2399-L2402 PolarHBondContact O-N 3.44Å; L2400-L2402 VanDerWaalsContact C-N 3.32Å; L2400-L2402 PolarHBondContact O-N 3.19Å; L2402-M2404 VanDerWaalsContact C-N 3.33Å; L2402-I2405 PolarHBondContact O-N 3.23Å; L2402-L2406 HydrophobicContact CD2-CD1 3.7Å; L2402-L2406 HydrophobicContact CD2-CG 4.43Å; L2402-L2406 HydrophobicContact CG-CD1 4.36Å; L2402-L2406 WeakPolarHBondContact O-CB 3.48Å; L2402-L2406 PolarHBondContact O-N 2.9Å; L2402-L2406 VanDerWaalsContact O-N 3.14Å; L2402-V2414 HydrophobicContact CD2-CB 4.09Å; L2402-V2414 HydrophobicContact CD2-CG1 3.67Å; L2402-V2414 HydrophobicContact CD2-CG2 3.23Å
2403A94.7Very high92.4Very high0 Ų016.3 Ų16.30%010%0.1CC..Hα-helixtrans-72.8-22.8174.300000113.6L2399 L2400 A2401 L2406 A2407 T2501 L2504 L2505L2399-A2403 WeakPolarHBondContact O-CB 3.41Å; L2399-A2403 PolarHBondContact O-N 3.47Å; L2400-A2403 CarbonylContact O-C 3.46Å; L2400-A2403 PolarHBondContact O-N 3.07Å; L2400-A2403 VanDerWaalsContact O-N 3.12Å; A2401-A2403 VanDerWaalsContact C-N 3.33Å; A2401-A2403 PolarHBondContact O-N 3.18Å; A2403-L2406 CarbonylContact O-C 3.56Å; A2403-L2406 PolarHBondContact O-N 3.28Å; A2403-A2407 WeakPolarHBondContact O-CA 3.33Å; A2403-A2407 PolarHBondContact O-N 3.19Å; A2403-A2407 VanDerWaalsContact O-N 3.09Å; A2403-T2501 HydrophobicContact CB-CG2 3.6Å; A2403-L2504 HydrophobicContact CB-CB 4.1Å; A2403-L2504 HydrophobicContact CB-CD1 4.31Å; A2403-L2505 HydrophobicContact CB-CD2 4.38Å; A2403-L2505 HydrophobicContact CB-CG 4.21Å
2404M94.4Very high92.6Very high1 Ų115.6 Ų15.61%0.0059%0.093CC..Hα-helixtrans-65.2-44.1168.3-67.5-167.5-74.100110.7L2330 L2334 A2337 G2338 L2400 A2401 L2402 L2406 A2407 L2504 L2514 F2528L2330-M2404 HydrophobicContact CD2-CE 4.29Å; L2330-M2404 HydrophobicContact CG-CE 4.39Å; L2334-M2404 HydrophobicContact CD2-CE 4.15Å; L2334-M2404 HydrophobicContact CD2-SD 3.96Å; L2334-M2404 HydrophobicContact CG-CE 4.1Å; L2334-M2404 HydrophobicContact CG-SD 4.5Å; A2337-M2404 WeakPolarHBondContact CA-O 3.41Å; G2338-M2404 PolarHBondContact N-O 3.24Å; L2400-M2404 WeakPolarHBondContact O-CG 3.49Å; L2400-M2404 PolarHBondContact O-N 3.08Å; A2401-M2404 HydrophobicContact CB-CE 4.26Å; A2401-M2404 WeakPolarHBondContact O-CB 3.17Å; A2401-M2404 PolarHBondContact O-N 2.96Å; A2401-M2404 VanDerWaalsContact O-N 3.11Å; L2402-M2404 VanDerWaalsContact C-N 3.33Å; M2404-L2406 PolarHBondContact O-N 2.96Å; M2404-A2407 WeakPolarHBondContact O-CB 3.48Å; M2404-A2407 PolarHBondContact O-N 2.79Å; M2404-L2504 HydrophobicContact CG-CD1 3.91Å; M2404-L2514 HydrophobicContact CB-CD1 3.93Å; M2404-L2514 HydrophobicContact CG-CD1 4.01Å; M2404-F2528 HydrophobicContact CG-CD2 4.36Å; M2404-F2528 HydrophobicContact CG-CE2 4.43Å; M2404-F2528 HydrophobicContact SD-CD2 3.7Å; M2404-F2528 HydrophobicContact SD-CE2 4.27Å; M2404-F2528 HydrophobicContact SD-CG 4.45Å
2405I94.5Very high92.7Very high0 Ų016.9 Ų16.90%010%0.1CC..Hα-helixtrans-63.4-43.7176.7-57-176.7000111.4Y2336 G2338 T2339 S2340 A2344 L2348 A2401 L2402 A2407Y2336-I2405 WeakPolarHBondContact O-CA 3.15Å; G2338-I2405 WeakPolarHBondContact CA-O 3.4Å; G2338-I2405 PolarHBondContact N-O 3.14Å; T2339-I2405 PolarHBondContact N-O 3.17Å; S2340-I2405 PolarHBondContact N-O 3.25Å; S2340-I2405 VanDerWaalsContact N-O 3.15Å; A2344-I2405 HydrophobicContact CB-CD1 3.66Å; L2348-I2405 HydrophobicContact CD1-CD1 3.62Å; L2348-I2405 HydrophobicContact CD1-CG1 4.49Å; A2401-I2405 PolarHBondContact O-N 2.99Å; L2402-I2405 PolarHBondContact O-N 3.23Å; I2405-A2407 VanDerWaalsContact C-N 3.34Å; I2405-A2407 PolarHBondContact O-N 2.99Å
2406L93.2Very high92.7Very high15.5 Ų15.523.4 Ų23.48%0.08113%0.128CC..THydrogen-bonded Turntrans-94.422.5-176.1-67.1176.8000113.7A2345 L2402 A2403 M2404 G2408 S2409 N2411 V2414 L2505A2345-L2406 HydrophobicContact CB-CD1 4.28Å; A2345-L2406 HydrophobicContact CB-CD2 4.24Å; A2345-L2406 HydrophobicContact CB-CG 4.37Å; L2402-L2406 HydrophobicContact CD2-CD1 3.7Å; L2402-L2406 HydrophobicContact CD2-CG 4.43Å; L2402-L2406 HydrophobicContact CG-CD1 4.36Å; L2402-L2406 WeakPolarHBondContact O-CB 3.48Å; L2402-L2406 PolarHBondContact O-N 2.9Å; L2402-L2406 VanDerWaalsContact O-N 3.14Å; A2403-L2406 CarbonylContact O-C 3.56Å; A2403-L2406 PolarHBondContact O-N 3.28Å; M2404-L2406 PolarHBondContact O-N 2.96Å; L2406-G2408 PolarHBondContact O-N 3.12Å; L2406-S2409 WeakPolarHBondContact CB-OG 3.38Å; L2406-S2409 VanDerWaalsContact O-CB 3.24Å; L2406-S2409 WeakPolarHBondContact O-CB 3.28Å; L2406-S2409 PolarHBondContact O-N 3.35Å; L2406-S2409 VanDerWaalsContact O-N 3.16Å; L2406-S2409 PolarHBondContact O-OG 2.77Å; L2406-N2411 HydrophobicContact CD1-CB 4.08Å; L2406-N2411 WeakPolarHBondContact CD1-ND2 3.44Å; L2406-V2414 HydrophobicContact CD1-CG2 4Å; L2406-L2505 HydrophobicContact CB-CD2 4.19Å
2407A92.8Very high92.6Very high0.5 Ų0.524.2 Ų24.20%0.00413%0.131CC..THydrogen-bonded Turntrans-58.7129.2-176.600000112.1A2403 M2404 I2405 S2409 L2504 T2513 L2514 R2557A2403-A2407 WeakPolarHBondContact O-CA 3.33Å; A2403-A2407 PolarHBondContact O-N 3.19Å; A2403-A2407 VanDerWaalsContact O-N 3.09Å; M2404-A2407 WeakPolarHBondContact O-CB 3.48Å; M2404-A2407 PolarHBondContact O-N 2.79Å; I2405-A2407 VanDerWaalsContact C-N 3.34Å; I2405-A2407 PolarHBondContact O-N 2.99Å; A2407-S2409 VanDerWaalsContact C-N 3.3Å; A2407-S2409 PolarHBondContact O-N 3.11Å; A2407-L2504 CarbonylContact C-O 3.57Å; A2407-L2504 WeakPolarHBondContact CA-O 3.3Å; A2407-T2513 PolarHBondContact O-OG1 2.84Å; A2407-L2514 HydrophobicContact CB-CB 4.38Å; A2407-L2514 HydrophobicContact CB-CD1 4.18Å; A2407-L2514 HydrophobicContact CB-CG 3.78Å; A2407-R2557 PolarHBondContact O-NH1 3.21Å
2408G87.6Confident92.4Very high8 Ų823 Ų238%0.08213%0.126CC..THydrogen-bonded Turntrans77.4-4.2-177.700000116L2406 G2410 L2504 L2505 L2512L2406-G2408 PolarHBondContact O-N 3.12Å; G2408-G2410 PolarHBondContact O-N 2.8Å; G2408-L2504 PolarHBondContact N-O 3.37Å; G2408-L2505 CarbonylContact C-O 3.42Å; G2408-L2505 VanDerWaalsContact C-O 3.27Å; G2408-L2505 VanDerWaalsContact CA-O 3.28Å; G2408-L2505 WeakPolarHBondContact CA-O 3.46Å; G2408-L2505 PolarHBondContact N-O 3.34Å; G2408-L2512 WeakPolarHBondContact CA-O 3.34Å
2409S88.2Confident92.1Very high44 Ų4429.4 Ų29.431%0.30815%0.15SC..SBendtrans-78.1-21.4-175.969.30000115.1L2406 A2407 N2411 L2505L2406-S2409 WeakPolarHBondContact CB-OG 3.38Å; L2406-S2409 VanDerWaalsContact O-CB 3.24Å; L2406-S2409 WeakPolarHBondContact O-CB 3.28Å; L2406-S2409 PolarHBondContact O-N 3.35Å; L2406-S2409 VanDerWaalsContact O-N 3.16Å; L2406-S2409 PolarHBondContact O-OG 2.77Å; A2407-S2409 VanDerWaalsContact C-N 3.3Å; A2407-S2409 PolarHBondContact O-N 3.11Å; S2409-N2411 VanDerWaalsContact C-N 3.31Å; S2409-N2411 PolarHBondContact O-N 3.42Å; S2409-N2411 PolarHBondContact OG-N 3.36Å; S2409-L2505 PolarHBondContact N-O 3.09Å
2410G87.2Confident91.7Very high10 Ų1035.3 Ų35.310%0.10318%0.177CC..  trans6426.8-174.200000115G2408 L2412 L2505G2408-G2410 PolarHBondContact O-N 2.8Å; G2410-L2412 PolarHBondContact O-N 3.24Å; G2410-L2505 WeakPolarHBondContact CA-O 3.2Å; G2410-L2505 PolarHBondContact N-O 3.35Å
2411N91.5Very high91.1Very high51.5 Ų51.535.8 Ų35.828%0.27518%0.18SC..  trans-55.8122-173.7-171.9-34.7000113.6L2406 S2409 T2413 V2414 L2415 L2505L2406-N2411 HydrophobicContact CD1-CB 4.08Å; L2406-N2411 WeakPolarHBondContact CD1-ND2 3.44Å; S2409-N2411 VanDerWaalsContact C-N 3.31Å; S2409-N2411 PolarHBondContact O-N 3.42Å; S2409-N2411 PolarHBondContact OG-N 3.36Å; N2411-T2413 PolarHBondContact O-N 2.86Å; N2411-T2413 PolarHBondContact OD1-N 2.93Å; N2411-T2413 PolarHBondContact OD1-OG1 2.93Å; N2411-T2413 VanDerWaalsContact OD1-OG1 3.07Å; N2411-V2414 HydrophobicContact CB-CG2 4Å; N2411-L2415 PolarHBondContact O-N 3.02Å; N2411-L2505 HydrophobicContact CB-CD2 4.32Å
2412L91.7Very high90.4Very high85.5 Ų85.537.8 Ų37.845%0.44819%0.188SC..Hα-helixtrans-71-29.3-174.7-121.5118.5000114.3G2410 V2414 L2415 K2416G2410-L2412 PolarHBondContact O-N 3.24Å; L2412-V2414 VanDerWaalsContact C-N 3.34Å; L2412-L2415 HydrophobicContact CD2-CD2 4.33Å; L2412-L2415 PolarHBondContact O-N 3.18Å; L2412-K2416 HydrophobicContact CD1-CD 4.48Å; L2412-K2416 HydrophobicContact CD1-CG 4.33Å; L2412-K2416 HydrophobicContact CG-CD 4.2Å; L2412-K2416 WeakPolarHBondContact O-CB 3.34Å; L2412-K2416 VanDerWaalsContact O-CG 3.28Å; L2412-K2416 WeakPolarHBondContact O-CG 3.32Å; L2412-K2416 PolarHBondContact O-N 3.15Å
2413T92Very high89.5Confident68.5 Ų68.539.2 Ų39.242%0.4220%0.199SC..Hα-helixtrans-67.9-44.2-179.7630000110.4N2411 K2416 M2417N2411-T2413 PolarHBondContact O-N 2.86Å; N2411-T2413 PolarHBondContact OD1-N 2.93Å; N2411-T2413 PolarHBondContact OD1-OG1 2.93Å; N2411-T2413 VanDerWaalsContact OD1-OG1 3.07Å; T2413-K2416 WeakPolarHBondContact O-CB 3.41Å; T2413-K2416 PolarHBondContact O-N 3.32Å; T2413-M2417 WeakPolarHBondContact O-CG 3.47Å; T2413-M2417 PolarHBondContact O-N 3.3Å; T2413-M2417 VanDerWaalsContact O-N 3.1Å
2414V92.8Very high88.4Confident1 Ų141.7 Ų41.71%0.00621%0.212CC..Hα-helixtrans-63.4-46.3175.5-163.80000110.4L2399 L2402 L2406 N2411 L2412 K2416 M2417 V2418 T2501 L2505L2399-V2414 HydrophobicContact CD2-CG1 3.94Å; L2402-V2414 HydrophobicContact CD2-CB 4.09Å; L2402-V2414 HydrophobicContact CD2-CG1 3.67Å; L2402-V2414 HydrophobicContact CD2-CG2 3.23Å; L2406-V2414 HydrophobicContact CD1-CG2 4Å; N2411-V2414 HydrophobicContact CB-CG2 4Å; L2412-V2414 VanDerWaalsContact C-N 3.34Å; V2414-K2416 VanDerWaalsContact C-N 3.3Å; V2414-K2416 PolarHBondContact O-N 3.05Å; V2414-M2417 PolarHBondContact O-N 3.07Å; V2414-V2418 HydrophobicContact CG1-CG2 4.44Å; V2414-V2418 WeakPolarHBondContact O-CG2 3.24Å; V2414-V2418 PolarHBondContact O-N 3.27Å; V2414-T2501 HydrophobicContact CG1-CG2 4.28Å; V2414-L2505 HydrophobicContact CB-CD1 3.84Å; V2414-L2505 HydrophobicContact CB-CD2 4.21Å; V2414-L2505 HydrophobicContact CG1-CD1 3.76Å; V2414-L2505 HydrophobicContact CG1-CD2 4.31Å; V2414-L2505 HydrophobicContact CG1-CG 4.48Å; V2414-L2505 HydrophobicContact CG2-CD2 4.38Å
2415L92.1Very high87.1Confident32 Ų3245.8 Ų45.817%0.16823%0.231CC..Hα-helixtrans-59.7-39.8177.8-174.762.8000112.2N2411 L2412 V2418 R2419 V2502 F2506N2411-L2415 PolarHBondContact O-N 3.02Å; L2412-L2415 HydrophobicContact CD2-CD2 4.33Å; L2412-L2415 PolarHBondContact O-N 3.18Å; L2415-V2418 PolarHBondContact O-N 3.03Å; L2415-R2419 WeakPolarHBondContact O-CB 3.35Å; L2415-R2419 PolarHBondContact O-N 3.14Å; L2415-V2502 HydrophobicContact CD1-CG1 4.02Å; L2415-V2502 HydrophobicContact CD1-CG2 4.25Å; L2415-F2506 HydrophobicContact CD1-CE2 4.25Å; L2415-F2506 HydrophobicContact CD2-CE2 4.13Å; L2415-F2506 HydrophobicContact CD2-CZ 4.2Å
2416K92.7Very high85.5Confident136 Ų13647.5 Ų47.559%0.59124%0.24SC*.Hα-helixtrans-63.9-46.3174.4-76.4172.8178.2-179.40111.7L2412 T2413 V2414 R2419 Q2420L2412-K2416 HydrophobicContact CD1-CD 4.48Å; L2412-K2416 HydrophobicContact CD1-CG 4.33Å; L2412-K2416 HydrophobicContact CG-CD 4.2Å; L2412-K2416 WeakPolarHBondContact O-CB 3.34Å; L2412-K2416 VanDerWaalsContact O-CG 3.28Å; L2412-K2416 WeakPolarHBondContact O-CG 3.32Å; L2412-K2416 PolarHBondContact O-N 3.15Å; T2413-K2416 WeakPolarHBondContact O-CB 3.41Å; T2413-K2416 PolarHBondContact O-N 3.32Å; V2414-K2416 VanDerWaalsContact C-N 3.3Å; V2414-K2416 PolarHBondContact O-N 3.05Å; K2416-R2419 PolarHBondContact O-N 2.84Å; K2416-Q2420 WeakPolarHBondContact O-CG 3.41Å; K2416-Q2420 PolarHBondContact O-N 3.15Å; K2416-Q2420 PolarHBondContact O-OE1 3.13Å
2417M90.2Very high83.9Confident16.5 Ų16.551.3 Ų51.38%0.08126%0.256CS..Hα-helixtrans-64-44.4178.5-113.5-164.3-62.800111.8Y2349 L2356 L2399 T2413 V2414 R2419 Q2420 L2421Y2349-M2417 HydrophobicContact CD2-CE 3.86Å; Y2349-M2417 HydrophobicContact CD2-SD 4.33Å; Y2349-M2417 HydrophobicContact CE2-CE 3.43Å; Y2349-M2417 VanDerWaalsContact CE2-CE 3.47Å; Y2349-M2417 HydrophobicContact CE2-CG 4.4Å; Y2349-M2417 HydrophobicContact CE2-SD 3.6Å; Y2349-M2417 VanDerWaalsContact CE2-SD 3.6Å; L2356-M2417 HydrophobicContact CD1-CG 4.21Å; L2356-M2417 HydrophobicContact CD1-SD 3.95Å; L2399-M2417 HydrophobicContact CD1-CG 4.04Å; L2399-M2417 HydrophobicContact CD1-SD 3.86Å; L2399-M2417 HydrophobicContact CD2-CB 4.37Å; L2399-M2417 HydrophobicContact CD2-CE 3.82Å; L2399-M2417 HydrophobicContact CD2-CG 4.47Å; L2399-M2417 HydrophobicContact CD2-SD 3.62Å; L2399-M2417 HydrophobicContact CG-SD 4.16Å; T2413-M2417 WeakPolarHBondContact O-CG 3.47Å; T2413-M2417 PolarHBondContact O-N 3.3Å; T2413-M2417 VanDerWaalsContact O-N 3.1Å; V2414-M2417 PolarHBondContact O-N 3.07Å; M2417-R2419 VanDerWaalsContact C-N 3.33Å; M2417-R2419 PolarHBondContact O-N 3.11Å; M2417-Q2420 WeakPolarHBondContact O-CB 3.23Å; M2417-Q2420 PolarHBondContact O-N 3.23Å; M2417-Q2420 VanDerWaalsContact O-N 3.1Å; M2417-L2421 HydrophobicContact CG-CD1 4.46Å; M2417-L2421 WeakPolarHBondContact O-CG 3.38Å; M2417-L2421 PolarHBondContact O-N 3.23Å
2418V89.7Confident82.1Confident2 Ų255.9 Ų55.91%0.01228%0.28CS..Hα-helixtrans-62.5-40.3175.7173.40000111.5L2399 V2414 L2415 Q2420 L2421 R2422 L2498 T2501 V2502L2399-V2418 HydrophobicContact CD1-CG2 4.24Å; L2399-V2418 HydrophobicContact CD2-CG2 4.29Å; V2414-V2418 HydrophobicContact CG1-CG2 4.44Å; V2414-V2418 WeakPolarHBondContact O-CG2 3.24Å; V2414-V2418 PolarHBondContact O-N 3.27Å; L2415-V2418 PolarHBondContact O-N 3.03Å; V2418-Q2420 VanDerWaalsContact C-N 3.29Å; V2418-Q2420 PolarHBondContact O-N 3.39Å; V2418-L2421 PolarHBondContact O-N 3.34Å; V2418-R2422 WeakPolarHBondContact O-CB 3.3Å; V2418-R2422 PolarHBondContact O-N 3.31Å; V2418-L2498 HydrophobicContact CG1-CB 4.14Å; V2418-L2498 HydrophobicContact CG1-CD2 4.15Å; V2418-L2498 HydrophobicContact CG2-CD2 4.39Å; V2418-T2501 HydrophobicContact CG2-CG2 3.63Å; V2418-V2502 HydrophobicContact CB-CG2 4.38Å; V2418-V2502 HydrophobicContact CG1-CG2 3.54Å; V2418-V2502 VanDerWaalsContact CG1-CG2 3.5Å
2419R87.8Confident80.2Confident135.5 Ų135.559 Ų5951%0.51130%0.301SS..Hα-helixtrans-61.7-40.5174.2179.9173.3171.8164.8-6111.6V2232 L2415 K2416 M2417 R2422 A2423V2232-R2419 HydrophobicContact CG2-CG 4.23Å; L2415-R2419 WeakPolarHBondContact O-CB 3.35Å; L2415-R2419 PolarHBondContact O-N 3.14Å; K2416-R2419 PolarHBondContact O-N 2.84Å; M2417-R2419 VanDerWaalsContact C-N 3.33Å; M2417-R2419 PolarHBondContact O-N 3.11Å; R2419-R2422 PolarHBondContact O-N 3.01Å; R2419-A2423 VanDerWaalsContact O-CB 3.26Å; R2419-A2423 WeakPolarHBondContact O-CB 3.43Å; R2419-A2423 PolarHBondContact O-N 3.22Å
2420Q85Confident77.8Confident123.5 Ų123.565.4 Ų65.458%0.57732%0.323SS*.Hα-helixtrans-64.6-49.9176.3-124.3172.5-19.100111.7K2416 M2417 V2418 R2422 A2423 I2424K2416-Q2420 WeakPolarHBondContact O-CG 3.41Å; K2416-Q2420 PolarHBondContact O-N 3.15Å; K2416-Q2420 PolarHBondContact O-OE1 3.13Å; M2417-Q2420 WeakPolarHBondContact O-CB 3.23Å; M2417-Q2420 PolarHBondContact O-N 3.23Å; M2417-Q2420 VanDerWaalsContact O-N 3.1Å; V2418-Q2420 VanDerWaalsContact C-N 3.29Å; V2418-Q2420 PolarHBondContact O-N 3.39Å; Q2420-R2422 PolarHBondContact O-N 3.24Å; Q2420-A2423 PolarHBondContact O-N 3.11Å; Q2420-A2423 VanDerWaalsContact O-N 3.13Å; Q2420-I2424 VanDerWaalsContact O-CG1 3.3Å; Q2420-I2424 WeakPolarHBondContact O-CG1 3.44Å; Q2420-I2424 PolarHBondContact O-N 2.73Å
2421L83.8Confident75.4Confident17.5 Ų17.569.3 Ų69.39%0.09235%0.346CS..Hα-helixtrans-64.5-31.3178.9-64.2-177.7000113L2356 V2392 L2399 M2417 V2418 A2423 I2424 H2425 L2498L2356-L2421 HydrophobicContact CD1-CD1 4.45Å; L2356-L2421 HydrophobicContact CD1-CD2 4.04Å; L2356-L2421 HydrophobicContact CD2-CD2 3.67Å; L2356-L2421 HydrophobicContact CG-CD2 4.45Å; V2392-L2421 HydrophobicContact CG1-CD1 4.23Å; V2392-L2421 HydrophobicContact CG1-CD2 4.19Å; L2399-L2421 HydrophobicContact CD1-CD1 3.53Å; M2417-L2421 HydrophobicContact CG-CD1 4.46Å; M2417-L2421 WeakPolarHBondContact O-CG 3.38Å; M2417-L2421 PolarHBondContact O-N 3.23Å; V2418-L2421 PolarHBondContact O-N 3.34Å; L2421-A2423 VanDerWaalsContact C-N 3.31Å; L2421-A2423 PolarHBondContact O-N 3.44Å; L2421-I2424 PolarHBondContact O-N 3.35Å; L2421-H2425 PolarHBondContact O-N 3.16Å; L2421-L2498 HydrophobicContact CB-CD1 4.2Å; L2421-L2498 HydrophobicContact CB-CD2 4.19Å; L2421-L2498 HydrophobicContact CD1-CD2 4.41Å
2422R81Confident72.7Confident43.5 Ų43.573.5 Ų73.516%0.16437%0.369CS..THydrogen-bonded Turntrans-76.6-22.8178.7-170.9166.8-175-161.91.2113.1V2418 R2419 Q2420 L2426 L2498V2418-R2422 WeakPolarHBondContact O-CB 3.3Å; V2418-R2422 PolarHBondContact O-N 3.31Å; R2419-R2422 PolarHBondContact O-N 3.01Å; Q2420-R2422 PolarHBondContact O-N 3.24Å; R2422-L2426 HydrophobicContact CG-CD1 3.83Å; R2422-L2426 HydrophobicContact CG-CG 4.43Å; R2422-L2426 VanDerWaalsContact O-CB 3.3Å; R2422-L2426 WeakPolarHBondContact O-CB 3.17Å; R2422-L2426 WeakPolarHBondContact O-CD1 3.46Å; R2422-L2426 WeakPolarHBondContact O-CG 3.33Å; R2422-L2426 PolarHBondContact O-N 2.87Å; R2422-L2426 VanDerWaalsContact O-N 3.12Å; R2422-L2498 HydrophobicContact CB-CD1 4.19Å
2423A77Confident70Confident30.5 Ų30.575.2 Ų75.225%0.25238%0.383SS..  trans-65.7-128.3176.500000111.8R2419 Q2420 L2421 H2425 L2426 F2427R2419-A2423 VanDerWaalsContact O-CB 3.26Å; R2419-A2423 WeakPolarHBondContact O-CB 3.43Å; R2419-A2423 PolarHBondContact O-N 3.22Å; Q2420-A2423 PolarHBondContact O-N 3.11Å; Q2420-A2423 VanDerWaalsContact O-N 3.13Å; L2421-A2423 VanDerWaalsContact C-N 3.31Å; L2421-A2423 PolarHBondContact O-N 3.44Å; A2423-H2425 WeakPolarHBondContact CB-NE2 3.37Å; A2423-H2425 PolarHBondContact O-N 3.38Å; A2423-L2426 PolarHBondContact O-N 3.07Å; A2423-F2427 HydrophobicContact CB-CD2 4.21Å; A2423-F2427 WeakPolarHBondContact O-CB 3.3Å; A2423-F2427 VanDerWaalsContact O-CD2 3.3Å; A2423-F2427 WeakPolarHBondContact O-CD2 3.26Å; A2423-F2427 PolarHBondContact O-N 3.42Å
2424I71.6Confident67Low53.5 Ų53.578.9 Ų78.927%0.27440%0.4SS..  trans-8231.3178.7-65.9167.8000108.9Q2420 L2421 L2426 N2428 P2490Q2420-I2424 VanDerWaalsContact O-CG1 3.3Å; Q2420-I2424 WeakPolarHBondContact O-CG1 3.44Å; Q2420-I2424 PolarHBondContact O-N 2.73Å; L2421-I2424 PolarHBondContact O-N 3.35Å; I2424-L2426 HydrophobicContact CG2-CD1 4.18Å; I2424-L2426 HydrophobicContact CG2-CG 4.05Å; I2424-L2426 PolarHBondContact O-N 3.01Å; I2424-N2428 HydrophobicContact CG2-CB 4.28Å; I2424-N2428 WeakPolarHBondContact O-CB 3.38Å; I2424-N2428 PolarHBondContact O-N 3.49Å; I2424-P2490 HydrophobicContact CD1-CG 4.36Å; I2424-P2490 HydrophobicContact CG1-CG 4.2Å
2425H67.2Low64.1Low87.5 Ų87.585.9 Ų85.941%0.40544%0.437SS..  trans-89.623.2-177.6-70.6-71.7000113.7V2392 L2421 A2423 P2490V2392-H2425 VanDerWaalsContact CG1-NE2 3.33Å; V2392-H2425 WeakPolarHBondContact CG1-NE2 3.41Å; L2421-H2425 PolarHBondContact O-N 3.16Å; A2423-H2425 WeakPolarHBondContact CB-NE2 3.37Å; A2423-H2425 PolarHBondContact O-N 3.38Å; H2425-P2490 HydrophobicContact CB-CB 4.42Å
2426L61.3Low61.3Low34 Ų3490.3 Ų90.318%0.17847%0.47CS..SBendtrans-88.9-37.4176.2-72.6173000113.5R2422 A2423 I2424 Y2448 L2488 P2490R2422-L2426 HydrophobicContact CG-CD1 3.83Å; R2422-L2426 HydrophobicContact CG-CG 4.43Å; R2422-L2426 VanDerWaalsContact O-CB 3.3Å; R2422-L2426 WeakPolarHBondContact O-CB 3.17Å; R2422-L2426 WeakPolarHBondContact O-CD1 3.46Å; R2422-L2426 WeakPolarHBondContact O-CG 3.33Å; R2422-L2426 PolarHBondContact O-N 2.87Å; R2422-L2426 VanDerWaalsContact O-N 3.12Å; A2423-L2426 PolarHBondContact O-N 3.07Å; I2424-L2426 HydrophobicContact CG2-CD1 4.18Å; I2424-L2426 HydrophobicContact CG2-CG 4.05Å; I2424-L2426 PolarHBondContact O-N 3.01Å; L2426-Y2448 HydrophobicContact CD2-CD1 4.41Å; L2426-Y2448 HydrophobicContact CD2-CE1 4.16Å; L2426-Y2448 WeakPolarHBondContact O-CB 3.17Å; L2426-Y2448 WeakPolarHBondContact O-CD2 3.33Å; L2426-L2488 HydrophobicContact CD2-CB 4.02Å; L2426-P2490 HydrophobicContact CD2-CG 4.2Å
2427F59.4Low58.4Low96.5 Ų96.586.9 Ų86.942%0.42347%0.474SS..SBendtrans-127-5.6-172.2-55.7-63.6000114.8A2423 S2429 T2452A2423-F2427 HydrophobicContact CB-CD2 4.21Å; A2423-F2427 WeakPolarHBondContact O-CB 3.3Å; A2423-F2427 VanDerWaalsContact O-CD2 3.3Å; A2423-F2427 WeakPolarHBondContact O-CD2 3.26Å; A2423-F2427 PolarHBondContact O-N 3.42Å; F2427-S2429 VanDerWaalsContact C-N 3.3Å; F2427-S2429 PolarHBondContact O-N 2.98Å; F2427-T2452 HydrophobicContact CE1-CG2 3.38Å; F2427-T2452 HydrophobicContact CE2-CG2 4.27Å; F2427-T2452 HydrophobicContact CZ-CG2 3.21Å
2428N53.6Low55.6Low96.5 Ų96.596.1 Ų96.152%0.51652%0.517SS..  trans-97.855.9-173.6-105.521.2000112.6I2424 K2430I2424-N2428 HydrophobicContact CG2-CB 4.28Å; I2424-N2428 WeakPolarHBondContact O-CB 3.38Å; I2424-N2428 PolarHBondContact O-N 3.49Å; N2428-K2430 PolarHBondContact O-N 3.36Å
2429S48.3Very low52.9Low73 Ų73100.3 Ų100.351%0.5155%0.546SS..  trans-9781.2164.7144.60000110.6F2427 D2445F2427-S2429 VanDerWaalsContact C-N 3.3Å; F2427-S2429 PolarHBondContact O-N 2.98Å; S2429-D2445 WeakPolarHBondContact CB-OD1 3.28Å; S2429-D2445 PolarHBondContact OG-OD1 3.48Å; S2429-D2445 PolarHBondContact OG-OD2 3.44Å
2430K37.3Very low50.4Low179 Ų179100.3 Ų100.378%0.77856%0.557SS**  trans-80.3128.4168.1-85.5-175.6175.3179.60107.5N2428 D2432N2428-K2430 PolarHBondContact O-N 3.36Å; K2430-D2432 PolarHBondContact O-N 2.98Å; K2430-D2432 VanDerWaalsContact O-N 3.13Å
2431P37.9Very low47.9Very low91 Ų91100.4 Ų100.459%0.59156%0.561SS**  trans-69123.4165.229.4-31.9000108.1T2433P2431-T2433 HydrophobicContact CB-CG2 4.03Å; P2431-T2433 HydrophobicContact CG-CG2 4.19Å; P2431-T2433 PolarHBondContact O-N 2.88Å
2432D34.6Very low45.7Very low139.5 Ų139.5105.5 Ų105.575%0.74659%0.593SS**  trans-64.496.9178.1-68.3-41.3000110.3K2430 L2434K2430-D2432 PolarHBondContact O-N 2.98Å; K2430-D2432 VanDerWaalsContact O-N 3.13Å; D2432-L2434 PolarHBondContact O-N 3.36Å; D2432-L2434 VanDerWaalsContact O-N 3.09Å
2433T33.9Very low43.7Very low121.5 Ų121.5106.6 Ų106.675%0.74561%0.611SS**  trans-99.255.917858.60000111.2P2431P2431-T2433 HydrophobicContact CB-CG2 4.03Å; P2431-T2433 HydrophobicContact CG-CG2 4.19Å; P2431-T2433 PolarHBondContact O-N 2.88Å
2434L30.7Very low42.1Very low147 Ų147108.2 Ų108.277%0.7762%0.621SS**SBendtrans-146.9127.4165-89.6120.1000110.7D2432D2432-L2434 PolarHBondContact O-N 3.36Å; D2432-L2434 VanDerWaalsContact O-N 3.09Å
2435N30.1Very low40.6Very low148 Ų148109.1 Ų109.179%0.79163%0.626SS**  trans73.477.2159.9-56.3-13.8000118.6G2437N2435-G2437 PolarHBondContact O-N 3.2Å
2436S33.5Very low39.8Very low123.5 Ų123.5107.9 Ų107.986%0.86463%0.627SS**  trans-67.1123.9143.363.30000114.1
2437G32.4Very low39.3Very low65.5 Ų65.5110.5 Ų110.568%0.67564%0.641SS**  trans-124.9134.117800000111.9N2435 S2439N2435-G2437 PolarHBondContact O-N 3.2Å; G2437-S2439 VanDerWaalsContact C-N 3.26Å; G2437-S2439 PolarHBondContact O-N 3.21Å
2438Q32.6Very low39.1Very low210 Ų210110.8 Ų110.898%0.98164%0.64SS**  trans-59.695.9175.5-73.2174.4-20.400110.5
2439S32.4Very low39.3Very low89.5 Ų89.5110.6 Ų110.663%0.62664%0.636SS**SBendtrans-159.7127.7169.4-164.70000111.1G2437 N2441G2437-S2439 VanDerWaalsContact C-N 3.26Å; G2437-S2439 PolarHBondContact O-N 3.21Å; S2439-N2441 PolarHBondContact O-N 3.15Å
2440N34.2Very low40Very low136.5 Ų136.5110 Ų11073%0.7363%0.629SS**SBendtrans12.153.3167.6-56.7-24.4000118.4
2441N33.8Very low41.1Very low125.5 Ų125.5102.4 Ų102.467%0.67160%0.597SS**THydrogen-bonded Turntrans-105.754.6177.5-75-20.6000113.5S2439 A2443S2439-N2441 PolarHBondContact O-N 3.15Å; N2441-A2443 VanDerWaalsContact C-N 3.27Å; N2441-A2443 PolarHBondContact O-N 3.03Å
2442T37.2Very low42.2Very low125 Ų125100 Ų10077%0.76758%0.581SS**  trans-89.1-3.9176.3490000114.1S2446T2442-S2446 VanDerWaalsContact O-CB 3.29Å; T2442-S2446 WeakPolarHBondContact O-CB 3.39Å; T2442-S2446 PolarHBondContact O-N 3.09Å; T2442-S2446 PolarHBondContact O-OG 2.94Å
2443A39.6Very low43.6Very low66 Ų6694.8 Ų94.855%0.54556%0.558SS.*Hα-helixtrans-76-39.5-171.100000114N2441 D2445 S2446 L2447N2441-A2443 VanDerWaalsContact C-N 3.27Å; N2441-A2443 PolarHBondContact O-N 3.03Å; A2443-D2445 PolarHBondContact O-N 2.65Å; A2443-S2446 PolarHBondContact O-N 3.23Å; A2443-S2446 PolarHBondContact O-OG 3.3Å; A2443-L2447 WeakPolarHBondContact O-CG 3.41Å; A2443-L2447 PolarHBondContact O-N 2.86Å
2444S43.1Very low44.9Very low64.5 Ų64.589.8 Ų89.845%0.45153%0.529SS..Hα-helixtrans-64-37.2-175.6490000113.6S2446 L2447 Y2448S2444-S2446 VanDerWaalsContact C-N 3.3Å; S2444-S2446 PolarHBondContact O-N 3.18Å; S2444-L2447 PolarHBondContact O-N 3.23Å; S2444-Y2448 WeakPolarHBondContact O-CD2 3.4Å; S2444-Y2448 PolarHBondContact O-N 3.1Å
2445D40.6Very low46.4Very low72 Ų7283.2 Ų83.239%0.38550%0.496SS..Hα-helixtrans-73.8-25.8-174.9-66.1-6.2000111.3S2429 A2443 L2447 Y2448 H2449S2429-D2445 WeakPolarHBondContact CB-OD1 3.28Å; S2429-D2445 PolarHBondContact OG-OD1 3.48Å; S2429-D2445 PolarHBondContact OG-OD2 3.44Å; A2443-D2445 PolarHBondContact O-N 2.65Å; D2445-L2447 VanDerWaalsContact C-N 3.33Å; D2445-L2447 PolarHBondContact O-N 3.16Å; D2445-Y2448 PolarHBondContact O-N 2.8Å; D2445-H2449 WeakPolarHBondContact O-CB 3.23Å; D2445-H2449 PolarHBondContact O-CD2 3.33Å; D2445-H2449 PolarHBondContact O-N 3.31Å
2446S49.6Very low47.9Very low61 Ų6177.7 Ų77.743%0.42747%0.471SS..Hα-helixtrans-60.3-40.8177.270.70000113.2T2442 A2443 S2444 H2449 T2450T2442-S2446 VanDerWaalsContact O-CB 3.29Å; T2442-S2446 WeakPolarHBondContact O-CB 3.39Å; T2442-S2446 PolarHBondContact O-N 3.09Å; T2442-S2446 PolarHBondContact O-OG 2.94Å; A2443-S2446 PolarHBondContact O-N 3.23Å; A2443-S2446 PolarHBondContact O-OG 3.3Å; S2444-S2446 VanDerWaalsContact C-N 3.3Å; S2444-S2446 PolarHBondContact O-N 3.18Å; S2446-H2449 PolarHBondContact O-N 3.39Å; S2446-T2450 WeakPolarHBondContact O-CB 3.48Å; S2446-T2450 WeakPolarHBondContact O-CG2 3.44Å; S2446-T2450 PolarHBondContact O-N 3.12Å; S2446-T2450 PolarHBondContact O-OG1 3.33Å
2447L50.8Low49.3Very low88.5 Ų88.578.5 Ų78.546%0.46346%0.455SS..Hα-helixtrans-68.9-44.7179.8-75175.9000111.9I1645 A2443 S2444 D2445 H2449 T2450 V2451I1645-L2447 HydrophobicContact CB-CD2 4.44Å; I1645-L2447 HydrophobicContact CD1-CD1 3.84Å; I1645-L2447 HydrophobicContact CD1-CD2 3.38Å; I1645-L2447 HydrophobicContact CD1-CG 4.14Å; I1645-L2447 HydrophobicContact CG1-CD2 4.47Å; I1645-L2447 HydrophobicContact CG2-CD2 4.42Å; A2443-L2447 WeakPolarHBondContact O-CG 3.41Å; A2443-L2447 PolarHBondContact O-N 2.86Å; S2444-L2447 PolarHBondContact O-N 3.23Å; D2445-L2447 VanDerWaalsContact C-N 3.33Å; D2445-L2447 PolarHBondContact O-N 3.16Å; L2447-H2449 PolarHBondContact O-N 3.38Å; L2447-T2450 WeakPolarHBondContact CA-OG1 3.27Å; L2447-T2450 PolarHBondContact O-N 2.92Å; L2447-T2450 VanDerWaalsContact O-N 3.08Å; L2447-T2450 PolarHBondContact O-OG1 2.98Å; L2447-V2451 WeakPolarHBondContact O-CB 3.29Å; L2447-V2451 WeakPolarHBondContact O-CG2 3.3Å; L2447-V2451 PolarHBondContact O-N 3.4Å; L2447-V2451 VanDerWaalsContact O-N 3.11Å
2448Y54.3Low50.5Low103 Ų10375.7 Ų75.740%0.40443%0.425SS..Hα-helixtrans-68.9-32.7176.2-69.5-74.3000111.9L2426 S2444 D2445 V2451 T2452 L2488L2426-Y2448 HydrophobicContact CD2-CD1 4.41Å; L2426-Y2448 HydrophobicContact CD2-CE1 4.16Å; L2426-Y2448 WeakPolarHBondContact O-CB 3.17Å; L2426-Y2448 WeakPolarHBondContact O-CD2 3.33Å; S2444-Y2448 WeakPolarHBondContact O-CD2 3.4Å; S2444-Y2448 PolarHBondContact O-N 3.1Å; D2445-Y2448 PolarHBondContact O-N 2.8Å; Y2448-V2451 PolarHBondContact O-N 2.69Å; Y2448-T2452 WeakPolarHBondContact O-CB 3.47Å; Y2448-T2452 WeakPolarHBondContact O-CG2 3.3Å; Y2448-T2452 PolarHBondContact O-N 3.19Å; Y2448-T2452 PolarHBondContact O-OG1 3.25Å; Y2448-L2488 HydrophobicContact CD1-CD1 4.05Å; Y2448-L2488 HydrophobicContact CE1-CB 4.34Å; Y2448-L2488 HydrophobicContact CE1-CD1 4.05Å
2449H58.5Low51.5Low93 Ų9367.1 Ų67.143%0.43139%0.391SS..Hα-helixtrans-67.2-40.1173-126.2-52.3000112.7D2445 S2446 L2447 V2451 T2452 A2453D2445-H2449 WeakPolarHBondContact O-CB 3.23Å; D2445-H2449 PolarHBondContact O-CD2 3.33Å; D2445-H2449 PolarHBondContact O-N 3.31Å; S2446-H2449 PolarHBondContact O-N 3.39Å; L2447-H2449 PolarHBondContact O-N 3.38Å; H2449-V2451 VanDerWaalsContact C-N 3.33Å; H2449-V2451 PolarHBondContact O-N 3.2Å; H2449-T2452 VanDerWaalsContact C-OG1 3.32Å; H2449-T2452 WeakPolarHBondContact CA-OG1 3.34Å; H2449-T2452 PolarHBondContact O-OG1 2.89Å; H2449-A2453 VanDerWaalsContact O-CB 3.27Å; H2449-A2453 WeakPolarHBondContact O-CB 3.39Å; H2449-A2453 PolarHBondContact O-N 3.3Å
2450T61.9Low52.5Low61 Ų6164.7 Ų64.737%0.37438%0.376SS..Hα-helixtrans-66-40175.754.30000112S2446 L2447 A2453 A2454S2446-T2450 WeakPolarHBondContact O-CB 3.48Å; S2446-T2450 WeakPolarHBondContact O-CG2 3.44Å; S2446-T2450 PolarHBondContact O-N 3.12Å; S2446-T2450 PolarHBondContact O-OG1 3.33Å; L2447-T2450 WeakPolarHBondContact CA-OG1 3.27Å; L2447-T2450 PolarHBondContact O-N 2.92Å; L2447-T2450 VanDerWaalsContact O-N 3.08Å; L2447-T2450 PolarHBondContact O-OG1 2.98Å; T2450-A2453 PolarHBondContact O-N 3.23Å; T2450-A2454 VanDerWaalsContact O-CB 3.26Å; T2450-A2454 WeakPolarHBondContact O-CB 3.46Å; T2450-A2454 PolarHBondContact O-N 2.91Å
2451V61.7Low53.4Low18 Ų1862 Ų6211%0.10936%0.364CS..Hα-helixtrans-66.6-45.4176.5175.30000111.7I1645 A1649 L2447 Y2448 H2449 A2453 A2454 A2455 F2484 A2487 L2488I1645-V2451 HydrophobicContact CG2-CG2 4.14Å; A1649-V2451 HydrophobicContact CB-CG2 4.16Å; L2447-V2451 WeakPolarHBondContact O-CB 3.29Å; L2447-V2451 WeakPolarHBondContact O-CG2 3.3Å; L2447-V2451 PolarHBondContact O-N 3.4Å; L2447-V2451 VanDerWaalsContact O-N 3.11Å; Y2448-V2451 PolarHBondContact O-N 2.69Å; H2449-V2451 VanDerWaalsContact C-N 3.33Å; H2449-V2451 PolarHBondContact O-N 3.2Å; V2451-A2453 VanDerWaalsContact C-N 3.32Å; V2451-A2453 PolarHBondContact O-N 2.9Å; V2451-A2454 WeakPolarHBondContact O-CB 3.5Å; V2451-A2454 PolarHBondContact O-N 3.36Å; V2451-A2455 VanDerWaalsContact O-CB 3.25Å; V2451-A2455 WeakPolarHBondContact O-CB 3.11Å; V2451-A2455 PolarHBondContact O-N 2.94Å; V2451-F2484 HydrophobicContact CG1-CB 4.42Å; V2451-F2484 HydrophobicContact CG1-CD1 4.08Å; V2451-F2484 HydrophobicContact CG1-CD2 3.5Å; V2451-F2484 HydrophobicContact CG1-CE1 3.6Å; V2451-F2484 HydrophobicContact CG1-CE2 4.02Å; V2451-F2484 HydrophobicContact CG1-CG 4.26Å; V2451-A2487 HydrophobicContact CG2-CB 4Å; V2451-L2488 HydrophobicContact CB-CD1 4.39Å; V2451-L2488 HydrophobicContact CG1-CD1 3.8Å; V2451-L2488 HydrophobicContact CG2-CD1 4.45Å
2452T60.9Low54.1Low40.5 Ų40.559.2 Ų59.225%0.24835%0.352CS..Hα-helixtrans-65.9-38.2176.246.20000112.2F2427 Y2448 H2449 A2454 A2455 A2456F2427-T2452 HydrophobicContact CE1-CG2 3.38Å; F2427-T2452 HydrophobicContact CE2-CG2 4.27Å; F2427-T2452 HydrophobicContact CZ-CG2 3.21Å; Y2448-T2452 WeakPolarHBondContact O-CB 3.47Å; Y2448-T2452 WeakPolarHBondContact O-CG2 3.3Å; Y2448-T2452 PolarHBondContact O-N 3.19Å; Y2448-T2452 PolarHBondContact O-OG1 3.25Å; H2449-T2452 VanDerWaalsContact C-OG1 3.32Å; H2449-T2452 WeakPolarHBondContact CA-OG1 3.34Å; H2449-T2452 PolarHBondContact O-OG1 2.89Å; T2452-A2454 PolarHBondContact O-N 3.47Å; T2452-A2455 PolarHBondContact O-N 3.47Å; T2452-A2456 WeakPolarHBondContact O-CB 3.42Å; T2452-A2456 PolarHBondContact O-N 2.9Å
2453A62.8Low54.4Low31.5 Ų31.558.8 Ų58.826%0.2634%0.341SS..Hα-helixtrans-67.5-37.3174.600000112.4H2449 T2450 V2451 A2456 R2457H2449-A2453 VanDerWaalsContact O-CB 3.27Å; H2449-A2453 WeakPolarHBondContact O-CB 3.39Å; H2449-A2453 PolarHBondContact O-N 3.3Å; T2450-A2453 PolarHBondContact O-N 3.23Å; V2451-A2453 VanDerWaalsContact C-N 3.32Å; V2451-A2453 PolarHBondContact O-N 2.9Å; A2453-A2456 PolarHBondContact O-N 2.94Å; A2453-R2457 WeakPolarHBondContact O-CB 3.32Å; A2453-R2457 VanDerWaalsContact O-CG 3.24Å; A2453-R2457 WeakPolarHBondContact O-CG 3.45Å; A2453-R2457 PolarHBondContact O-N 3.07Å; A2453-R2457 PolarHBondContact O-NE 2.66Å
2454A62.1Low54.5Low16 Ų1660 Ų6013%0.13234%0.342CS..Hα-helixtrans-65.8-43.5172.900000111.6A1649 T1650 T2450 V2451 T2452 A2456 R2457 A2458 V2483A1649-A2454 HydrophobicContact CB-CB 3.83Å; T1650-A2454 HydrophobicContact CG2-CB 4.25Å; T2450-A2454 VanDerWaalsContact O-CB 3.26Å; T2450-A2454 WeakPolarHBondContact O-CB 3.46Å; T2450-A2454 PolarHBondContact O-N 2.91Å; V2451-A2454 WeakPolarHBondContact O-CB 3.5Å; V2451-A2454 PolarHBondContact O-N 3.36Å; T2452-A2454 PolarHBondContact O-N 3.47Å; A2454-A2456 VanDerWaalsContact C-N 3.34Å; A2454-A2456 PolarHBondContact O-N 3.27Å; A2454-R2457 PolarHBondContact O-N 3.12Å; A2454-A2458 PolarHBondContact O-N 3.01Å; A2454-V2483 HydrophobicContact CB-CG1 3.69Å
2455A62.3Low54.4Low9 Ų961.6 Ų61.67%0.07435%0.349CS..Hα-helixtrans-63.8-40.8174.700000112.4V2451 T2452 R2457 A2458 A2459 V2480 A2481 F2484V2451-A2455 VanDerWaalsContact O-CB 3.25Å; V2451-A2455 WeakPolarHBondContact O-CB 3.11Å; V2451-A2455 PolarHBondContact O-N 2.94Å; T2452-A2455 PolarHBondContact O-N 3.47Å; A2455-R2457 VanDerWaalsContact C-N 3.33Å; A2455-R2457 PolarHBondContact O-N 2.96Å; A2455-A2458 PolarHBondContact O-N 2.91Å; A2455-A2459 VanDerWaalsContact O-CB 3.3Å; A2455-A2459 WeakPolarHBondContact O-CB 3.46Å; A2455-A2459 PolarHBondContact O-N 3.22Å; A2455-V2480 HydrophobicContact CB-CG1 4.24Å; A2455-A2481 HydrophobicContact CB-CB 3.96Å; A2455-F2484 HydrophobicContact CB-CD2 3.83Å; A2455-F2484 HydrophobicContact CB-CE2 4.16Å; A2455-F2484 HydrophobicContact CB-CZ 4.29Å
2456A61.5Low54.4Low32.5 Ų32.562.3 Ų62.327%0.26936%0.359SS..Hα-helixtrans-66.5-39.2176.100000112.1T2452 A2453 A2454 A2458 A2459 A2460T2452-A2456 WeakPolarHBondContact O-CB 3.42Å; T2452-A2456 PolarHBondContact O-N 2.9Å; A2453-A2456 PolarHBondContact O-N 2.94Å; A2454-A2456 VanDerWaalsContact C-N 3.34Å; A2454-A2456 PolarHBondContact O-N 3.27Å; A2456-A2458 VanDerWaalsContact C-N 3.31Å; A2456-A2458 PolarHBondContact O-N 3.45Å; A2456-A2459 PolarHBondContact O-N 3.03Å; A2456-A2460 VanDerWaalsContact O-CB 3.26Å; A2456-A2460 WeakPolarHBondContact O-CB 3.41Å; A2456-A2460 PolarHBondContact O-N 3.17Å
2457R63.2Low53.8Low139 Ų13965.3 Ų65.353%0.52538%0.375SS..Hα-helixtrans-63-41.9172.9-77.3-173.7-80.9-165.80.6111.9E2229 A2453 A2454 A2455 A2459 A2460 T2461E2229-R2457 IonicContact OE1-NH2 3.75Å; E2229-R2457 IonicContact OE2-CZ 3.15Å; E2229-R2457 IonicContact OE2-NH1 2.94Å; E2229-R2457 PolarHBondContact OE2-NH1 3.29Å; E2229-R2457 IonicContact OE2-NH2 2.68Å; E2229-R2457 PolarHBondContact OE2-NH2 2.82Å; A2453-R2457 WeakPolarHBondContact O-CB 3.32Å; A2453-R2457 VanDerWaalsContact O-CG 3.24Å; A2453-R2457 WeakPolarHBondContact O-CG 3.45Å; A2453-R2457 PolarHBondContact O-N 3.07Å; A2453-R2457 PolarHBondContact O-NE 2.66Å; A2454-R2457 PolarHBondContact O-N 3.12Å; A2455-R2457 VanDerWaalsContact C-N 3.33Å; A2455-R2457 PolarHBondContact O-N 2.96Å; R2457-A2459 VanDerWaalsContact C-N 3.31Å; R2457-A2459 PolarHBondContact O-N 2.98Å; R2457-A2460 WeakPolarHBondContact O-CB 3.14Å; R2457-A2460 PolarHBondContact O-N 3Å; R2457-A2460 VanDerWaalsContact O-N 3.13Å; R2457-T2461 PolarHBondContact O-N 2.98Å; R2457-T2461 VanDerWaalsContact O-N 3.09Å; R2457-T2461 PolarHBondContact O-OG1 2.99Å
2458A57.2Low53.1Low7.5 Ų7.565.3 Ų65.36%0.06238%0.383CS..Hα-helixtrans-66.1-38.5175.300000112.8A1653 A2454 A2455 A2456 A2460 T2461 T2462 V2480 V2483A1653-A2458 HydrophobicContact CB-CB 3.88Å; A2454-A2458 PolarHBondContact O-N 3.01Å; A2455-A2458 PolarHBondContact O-N 2.91Å; A2456-A2458 VanDerWaalsContact C-N 3.31Å; A2456-A2458 PolarHBondContact O-N 3.45Å; A2458-A2460 VanDerWaalsContact C-N 3.3Å; A2458-A2460 PolarHBondContact O-N 3.18Å; A2458-T2461 WeakPolarHBondContact CA-OG1 3.3Å; A2458-T2461 PolarHBondContact O-N 3.47Å; A2458-T2461 PolarHBondContact O-OG1 3.1Å; A2458-T2461 VanDerWaalsContact O-OG1 3.05Å; A2458-T2462 PolarHBondContact O-N 3.39Å; A2458-T2462 PolarHBondContact O-OG1 2.89Å; A2458-V2480 HydrophobicContact CB-CG1 4.41Å; A2458-V2480 HydrophobicContact CB-CG2 4.3Å; A2458-V2483 HydrophobicContact CB-CG2 4.3Å
2459A54Low52.1Low30.5 Ų30.565.1 Ų65.125%0.25240%0.397SS..Hα-helixtrans-66.3-39175.400000112.5A2455 A2456 R2457 T2462 Q2463A2455-A2459 VanDerWaalsContact O-CB 3.3Å; A2455-A2459 WeakPolarHBondContact O-CB 3.46Å; A2455-A2459 PolarHBondContact O-N 3.22Å; A2456-A2459 PolarHBondContact O-N 3.03Å; R2457-A2459 VanDerWaalsContact C-N 3.31Å; R2457-A2459 PolarHBondContact O-N 2.98Å; A2459-T2462 WeakPolarHBondContact O-CB 3.25Å; A2459-T2462 PolarHBondContact O-N 3.32Å; A2459-T2462 VanDerWaalsContact O-N 3.1Å; A2459-T2462 PolarHBondContact O-OG1 3.04Å; A2459-Q2463 PolarHBondContact O-N 3.23Å
2460A52.7Low50.8Low38 Ų3867.8 Ų67.831%0.31442%0.42SS..Hα-helixtrans-65-43.3177.100000112.1A2456 R2457 A2458 T2462 Q2463 T2464A2456-A2460 VanDerWaalsContact O-CB 3.26Å; A2456-A2460 WeakPolarHBondContact O-CB 3.41Å; A2456-A2460 PolarHBondContact O-N 3.17Å; R2457-A2460 WeakPolarHBondContact O-CB 3.14Å; R2457-A2460 PolarHBondContact O-N 3Å; R2457-A2460 VanDerWaalsContact O-N 3.13Å; A2458-A2460 VanDerWaalsContact C-N 3.3Å; A2458-A2460 PolarHBondContact O-N 3.18Å; A2460-T2462 VanDerWaalsContact C-N 3.31Å; A2460-T2462 PolarHBondContact O-N 2.98Å; A2460-Q2463 PolarHBondContact O-N 3.25Å; A2460-Q2463 VanDerWaalsContact O-N 3.15Å; A2460-T2464 PolarHBondContact O-N 2.94Å; A2460-T2464 VanDerWaalsContact O-N 3.11Å; A2460-T2464 PolarHBondContact O-OG1 2.91Å
2461T53.8Low49.3Very low79 Ų7968.1 Ų68.149%0.48544%0.435SS..Hα-helixtrans-64.9-28.317745.60000113.3R2457 A2458 Q2463 T2464R2457-T2461 PolarHBondContact O-N 2.98Å; R2457-T2461 VanDerWaalsContact O-N 3.09Å; R2457-T2461 PolarHBondContact O-OG1 2.99Å; A2458-T2461 WeakPolarHBondContact CA-OG1 3.3Å; A2458-T2461 PolarHBondContact O-N 3.47Å; A2458-T2461 PolarHBondContact O-OG1 3.1Å; A2458-T2461 VanDerWaalsContact O-OG1 3.05Å; T2461-Q2463 VanDerWaalsContact C-N 3.34Å; T2461-T2464 PolarHBondContact O-OG1 3Å; T2461-T2464 VanDerWaalsContact O-OG1 3.04Å
2462T47.9Very low47.8Very low67.5 Ų67.572.2 Ų72.241%0.41447%0.471SS..Hα-helixtrans-74.3-31.4174.2-4.50000112.6A2458 A2459 A2460 S2466A2458-T2462 PolarHBondContact O-N 3.39Å; A2458-T2462 PolarHBondContact O-OG1 2.89Å; A2459-T2462 WeakPolarHBondContact O-CB 3.25Å; A2459-T2462 PolarHBondContact O-N 3.32Å; A2459-T2462 VanDerWaalsContact O-N 3.1Å; A2459-T2462 PolarHBondContact O-OG1 3.04Å; A2460-T2462 VanDerWaalsContact C-N 3.31Å; A2460-T2462 PolarHBondContact O-N 2.98Å; T2462-S2466 PolarHBondContact O-OG 2.79Å
2463Q44.8Very low46.5Very low116 Ų11674.8 Ų74.854%0.54249%0.491SS..Hα-helixtrans-79-35178.9-71.6-179-9.700113.3A2459 A2460 T2461 V2465 S2466A2459-Q2463 PolarHBondContact O-N 3.23Å; A2460-Q2463 PolarHBondContact O-N 3.25Å; A2460-Q2463 VanDerWaalsContact O-N 3.15Å; T2461-Q2463 VanDerWaalsContact C-N 3.34Å; Q2463-V2465 VanDerWaalsContact C-N 3.29Å; Q2463-V2465 PolarHBondContact O-N 2.85Å; Q2463-S2466 WeakPolarHBondContact O-CB 3.41Å; Q2463-S2466 PolarHBondContact O-N 3.12Å; Q2463-S2466 VanDerWaalsContact O-N 3.15Å; Q2463-S2466 PolarHBondContact O-OG 2.94Å; Q2463-S2466 VanDerWaalsContact O-OG 3.05Å
2464T41.4Very low45.2Very low91 Ų9179.8 Ų79.856%0.55852%0.518SS*.Hα-helixtrans-69.2-26.5-17848.60000113.9A2460 T2461 S2466 T2467A2460-T2464 PolarHBondContact O-N 2.94Å; A2460-T2464 VanDerWaalsContact O-N 3.11Å; A2460-T2464 PolarHBondContact O-OG1 2.91Å; T2461-T2464 PolarHBondContact O-OG1 3Å; T2461-T2464 VanDerWaalsContact O-OG1 3.04Å; T2464-S2466 VanDerWaalsContact C-N 3.33Å; T2464-S2466 PolarHBondContact O-N 2.83Å; T2464-T2467 PolarHBondContact O-OG1 3.08Å
2465V41.1Very low44.4Very low99.5 Ų99.582.5 Ų82.560%0.60354%0.536SS*.G310 helixtrans-73.1-22.7175.9179.70000111.6Q2463 T2467 S2468Q2463-V2465 VanDerWaalsContact C-N 3.29Å; Q2463-V2465 PolarHBondContact O-N 2.85Å; V2465-T2467 PolarHBondContact O-N 3.25Å; V2465-T2467 VanDerWaalsContact O-N 3.13Å; V2465-S2468 PolarHBondContact O-OG 3.25Å
2466S39.5Very low43.9Very low85.5 Ų85.583.8 Ų83.860%0.59855%0.55SS*.G310 helixtrans-73.9-13.2-176.822.10000115.2T2462 Q2463 T2464 S2468T2462-S2466 PolarHBondContact O-OG 2.79Å; Q2463-S2466 WeakPolarHBondContact O-CB 3.41Å; Q2463-S2466 PolarHBondContact O-N 3.12Å; Q2463-S2466 VanDerWaalsContact O-N 3.15Å; Q2463-S2466 PolarHBondContact O-OG 2.94Å; Q2463-S2466 VanDerWaalsContact O-OG 3.05Å; T2464-S2466 VanDerWaalsContact C-N 3.33Å; T2464-S2466 PolarHBondContact O-N 2.83Å; S2466-S2468 PolarHBondContact O-N 3.14Å
2467T38.4Very low43.7Very low124.5 Ų124.584.3 Ų84.376%0.76455%0.551SS**THydrogen-bonded Turntrans-100.3-1.9-175.954.50000114T2464 V2465T2464-T2467 PolarHBondContact O-OG1 3.08Å; V2465-T2467 PolarHBondContact O-N 3.25Å; V2465-T2467 VanDerWaalsContact O-N 3.13Å
2468S35.6Very low43.7Very low89.5 Ų89.579.9 Ų79.963%0.62654%0.539SS*.G310 helixtrans-111.633.2-176.545.40000114.3V2465 S2466 T2470V2465-S2468 PolarHBondContact O-OG 3.25Å; S2466-S2468 PolarHBondContact O-N 3.14Å; S2468-T2470 VanDerWaalsContact C-N 3.26Å; S2468-T2470 PolarHBondContact O-N 3.32Å
2469S32.9Very low44.1Very low98.5 Ų98.580.1 Ų80.169%0.68954%0.54SS*.  trans-111.887.4-177.761.70000114.5G2471S2469-G2471 PolarHBondContact O-N 2.83Å; S2469-G2471 VanDerWaalsContact O-N 3.11Å
2470T31.3Very low44.5Very low149 Ų14980.1 Ų80.191%0.91454%0.536SS*.SBendtrans-113.9112.7163.635.50000110.4S2468S2468-T2470 VanDerWaalsContact C-N 3.26Å; S2468-T2470 PolarHBondContact O-N 3.32Å
2471G30.9Very low45.1Very low68 Ų6878.7 Ų78.770%0.70153%0.525SS*.  trans130.5116.7170.600000113.5S2469S2469-G2471 PolarHBondContact O-N 2.83Å; S2469-G2471 VanDerWaalsContact O-N 3.11Å
2472A30.4Very low45.7Very low103.5 Ų103.575.7 Ų75.786%0.85551%0.508SS*.  trans-16.8114.1173.400000114.2V2474A2472-V2474 PolarHBondContact O-N 3.26Å
2473S33.4Very low46.5Very low95.5 Ų95.573.2 Ų73.267%0.66849%0.492SS*.  trans-84.8124171.954.30000111.6S2475S2473-S2475 PolarHBondContact O-N 3.04Å
2474V35.5Very low47.2Very low136 Ų13669.6 Ų69.682%0.82448%0.475SS*.  trans-86.957.6-179.6-167.40000110.7A2472A2472-V2474 PolarHBondContact O-N 3.26Å
2475S44.4Very low48.3Very low73 Ų7365.4 Ų65.451%0.5145%0.45SS..  trans-115.3105.2171.81180000109.3S2473S2473-S2475 PolarHBondContact O-N 3.04Å
2476G52.5Low49.4Very low36.5 Ų36.562.8 Ų62.838%0.37644%0.439SS..  trans-62.8144.4173.700000111.5V2478G2476-V2478 PolarHBondContact O-N 3.48Å
2477P57Low50.5Low43.5 Ų43.560.1 Ų60.128%0.28242%0.421SS..SBendtrans-62.960.7-173.725-34.4000112.8I1607 I1665 S2479I1607-P2477 HydrophobicContact CD1-CB 4.27Å; I1607-P2477 HydrophobicContact CD1-CG 3.81Å; I1665-P2477 HydrophobicContact CG2-CG 4.41Å; P2477-S2479 PolarHBondContact O-N 3.45Å
2478V63.7Low51.6Low45 Ų4556.7 Ų56.727%0.27340%0.398SS..BIsolated β-bridgetrans-105.9135.7-176.8-178.20000109A1604 I1607 A1608 L1660 G2476 V2480 S2482 V2483A1604-V2478 HydrophobicContact CB-CG1 4.47Å; A1604-V2478 HydrophobicContact CB-CG2 3.59Å; I1607-V2478 HydrophobicContact CB-CG2 4.08Å; I1607-V2478 HydrophobicContact CD1-CG2 3.88Å; I1607-V2478 HydrophobicContact CG2-CG2 4.2Å; A1608-V2478 HydrophobicContact CB-CG1 4.38Å; L1660-V2478 HydrophobicContact CD2-CB 4.08Å; G2476-V2478 PolarHBondContact O-N 3.48Å; V2478-V2480 PolarHBondContact O-N 3Å; V2478-S2482 WeakPolarHBondContact CG1-OG 3.45Å; V2478-V2483 HydrophobicContact CG1-CG2 3.92Å
2479S65.6Low53Low12 Ų1253 Ų538%0.08438%0.375CS..  trans-69.9140.4178.9130.10000112.1P2477 A2481 S2482 V2483P2477-S2479 PolarHBondContact O-N 3.45Å; S2479-A2481 PolarHBondContact O-N 3.03Å; S2479-A2481 PolarHBondContact OG-N 3.37Å; S2479-S2482 PolarHBondContact N-OG 3.47Å; S2479-S2482 PolarHBondContact O-N 3.18Å; S2479-S2482 PolarHBondContact O-OG 2.87Å; S2479-S2482 WeakPolarHBondContact OG-CB 3.24Å; S2479-S2482 PolarHBondContact OG-N 3.48Å; S2479-S2482 PolarHBondContact OG-OG 3.12Å; S2479-V2483 PolarHBondContact O-N 3.06Å; S2479-V2483 VanDerWaalsContact O-N 3.13Å
2480V62.1Low54.7Low30.5 Ų30.549.4 Ų49.419%0.18535%0.349CS..Hα-helixtrans-57.3-31.3170.6-165.90000111A1653 T1656 A1657 L1660 A2455 A2458 V2478 S2482 V2483 F2484A1653-V2480 HydrophobicContact CB-CG1 4.06Å; T1656-V2480 WeakPolarHBondContact OG1-CG1 3.45Å; A1657-V2480 HydrophobicContact CB-CG2 4.16Å; L1660-V2480 HydrophobicContact CD1-CG2 4.17Å; A2455-V2480 HydrophobicContact CB-CG1 4.24Å; A2458-V2480 HydrophobicContact CB-CG1 4.41Å; A2458-V2480 HydrophobicContact CB-CG2 4.3Å; V2478-V2480 PolarHBondContact O-N 3Å; V2480-S2482 PolarHBondContact O-N 3.02Å; V2480-V2483 PolarHBondContact O-N 3.28Å; V2480-F2484 HydrophobicContact CB-CD2 4.43Å; V2480-F2484 HydrophobicContact CG1-CD1 4.41Å; V2480-F2484 HydrophobicContact CG1-CD2 4.14Å; V2480-F2484 HydrophobicContact CG1-CE1 4.08Å; V2480-F2484 HydrophobicContact CG1-CE2 3.86Å; V2480-F2484 HydrophobicContact CG1-CZ 3.95Å; V2480-F2484 WeakPolarHBondContact O-CB 3.2Å; V2480-F2484 WeakPolarHBondContact O-CD2 3.44Å; V2480-F2484 PolarHBondContact O-N 3.2Å
2481A64.3Low56.8Low10 Ų1044.4 Ų44.48%0.08332%0.32CS..Hα-helixtrans-66.1-36.8176.300000112.8A2455 S2479 V2483 F2484 G2485A2455-A2481 HydrophobicContact CB-CB 3.96Å; S2479-A2481 PolarHBondContact O-N 3.03Å; S2479-A2481 PolarHBondContact OG-N 3.37Å; A2481-V2483 VanDerWaalsContact C-N 3.34Å; A2481-V2483 PolarHBondContact O-N 3.15Å; A2481-F2484 PolarHBondContact O-N 2.8Å; A2481-G2485 WeakPolarHBondContact O-CA 3.37Å; A2481-G2485 PolarHBondContact O-N 3.11Å
2482S66.4Low59.2Low16 Ų1641.5 Ų41.511%0.11229%0.288CS..Hα-helixtrans-69.9-35173.554.40000112.6V2478 S2479 V2480 F2484 G2485 A2486V2478-S2482 WeakPolarHBondContact CG1-OG 3.45Å; S2479-S2482 PolarHBondContact N-OG 3.47Å; S2479-S2482 PolarHBondContact O-N 3.18Å; S2479-S2482 PolarHBondContact O-OG 2.87Å; S2479-S2482 WeakPolarHBondContact OG-CB 3.24Å; S2479-S2482 PolarHBondContact OG-N 3.48Å; S2479-S2482 PolarHBondContact OG-OG 3.12Å; V2480-S2482 PolarHBondContact O-N 3.02Å; S2482-F2484 VanDerWaalsContact C-N 3.35Å; S2482-G2485 PolarHBondContact O-N 3.19Å; S2482-A2486 WeakPolarHBondContact O-CB 3.47Å; S2482-A2486 PolarHBondContact O-N 3.2Å
2483V64.7Low61.8Low14.5 Ų14.536.6 Ų36.69%0.08825%0.248CC..Hα-helixtrans-63.7-47.3172.9-177.20000110.5A1608 L1611 T1656 L1660 A2454 A2458 V2478 S2479 V2480 A2481 G2485 A2486 A2487A1608-V2483 HydrophobicContact CB-CG2 4.35Å; L1611-V2483 HydrophobicContact CB-CG1 3.95Å; L1611-V2483 HydrophobicContact CD1-CG2 4.35Å; T1656-V2483 HydrophobicContact CG2-CG1 3.87Å; L1660-V2483 HydrophobicContact CD1-CG2 4.22Å; A2454-V2483 HydrophobicContact CB-CG1 3.69Å; A2458-V2483 HydrophobicContact CB-CG2 4.3Å; V2478-V2483 HydrophobicContact CG1-CG2 3.92Å; S2479-V2483 PolarHBondContact O-N 3.06Å; S2479-V2483 VanDerWaalsContact O-N 3.13Å; V2480-V2483 PolarHBondContact O-N 3.28Å; A2481-V2483 VanDerWaalsContact C-N 3.34Å; A2481-V2483 PolarHBondContact O-N 3.15Å; V2483-G2485 PolarHBondContact O-N 2.86Å; V2483-A2486 WeakPolarHBondContact O-CB 3.45Å; V2483-A2486 PolarHBondContact O-N 3.39Å; V2483-A2487 WeakPolarHBondContact O-CB 3.32Å; V2483-A2487 PolarHBondContact O-N 3.09Å
2484F60.5Low64.3Low39.5 Ų39.533.1 Ų33.117%0.17322%0.221CC..Hα-helixtrans-66.1-31174.5-74.6-28.3000112.7L1620 A1653 T1656 V2451 A2455 V2480 A2481 S2482 A2486 A2487 L2488L1620-F2484 HydrophobicContact CD1-CD1 3.56Å; L1620-F2484 HydrophobicContact CD1-CD2 4.3Å; L1620-F2484 HydrophobicContact CD1-CE1 3.24Å; L1620-F2484 HydrophobicContact CD1-CE2 4.03Å; L1620-F2484 HydrophobicContact CD1-CG 4.08Å; L1620-F2484 HydrophobicContact CD1-CZ 3.47Å; L1620-F2484 VanDerWaalsContact CD1-CZ 3.47Å; A1653-F2484 HydrophobicContact CB-CE2 4Å; A1653-F2484 HydrophobicContact CB-CZ 3.65Å; T1656-F2484 HydrophobicContact CG2-CE1 4.12Å; V2451-F2484 HydrophobicContact CG1-CB 4.42Å; V2451-F2484 HydrophobicContact CG1-CD1 4.08Å; V2451-F2484 HydrophobicContact CG1-CD2 3.5Å; V2451-F2484 HydrophobicContact CG1-CE1 3.6Å; V2451-F2484 HydrophobicContact CG1-CE2 4.02Å; V2451-F2484 HydrophobicContact CG1-CG 4.26Å; A2455-F2484 HydrophobicContact CB-CD2 3.83Å; A2455-F2484 HydrophobicContact CB-CE2 4.16Å; A2455-F2484 HydrophobicContact CB-CZ 4.29Å; V2480-F2484 HydrophobicContact CB-CD2 4.43Å; V2480-F2484 HydrophobicContact CG1-CD1 4.41Å; V2480-F2484 HydrophobicContact CG1-CD2 4.14Å; V2480-F2484 HydrophobicContact CG1-CE1 4.08Å; V2480-F2484 HydrophobicContact CG1-CE2 3.86Å; V2480-F2484 HydrophobicContact CG1-CZ 3.95Å; V2480-F2484 WeakPolarHBondContact O-CB 3.2Å; V2480-F2484 WeakPolarHBondContact O-CD2 3.44Å; V2480-F2484 PolarHBondContact O-N 3.2Å; A2481-F2484 PolarHBondContact O-N 2.8Å; S2482-F2484 VanDerWaalsContact C-N 3.35Å; F2484-A2486 VanDerWaalsContact C-N 3.34Å; F2484-A2487 PolarHBondContact O-N 2.91Å; F2484-L2488 HydrophobicContact CB-CD1 4.37Å; F2484-L2488 HydrophobicContact CD1-CD1 3.72Å; F2484-L2488 HydrophobicContact CD1-CG 4.31Å; F2484-L2488 HydrophobicContact CE1-CD1 4.48Å; F2484-L2488 HydrophobicContact CG-CD1 4.43Å; F2484-L2488 VanDerWaalsContact O-CB 3.24Å; F2484-L2488 WeakPolarHBondContact O-CB 3.35Å; F2484-L2488 WeakPolarHBondContact O-CG 3.43Å; F2484-L2488 PolarHBondContact O-N 3.16Å
2485G64.2Low66.7Low4 Ų426.9 Ų26.94%0.04118%0.183CC..Hα-helixtrans-66.2-40.517300000112.7A2481 S2482 V2483 G2489A2481-G2485 WeakPolarHBondContact O-CA 3.37Å; A2481-G2485 PolarHBondContact O-N 3.11Å; S2482-G2485 PolarHBondContact O-N 3.19Å; V2483-G2485 PolarHBondContact O-N 2.86Å; G2485-G2489 VanDerWaalsContact O-CA 3.27Å; G2485-G2489 WeakPolarHBondContact O-CA 3.3Å; G2485-G2489 PolarHBondContact O-N 3.31Å; G2485-G2489 VanDerWaalsContact O-N 3.15Å
2486A64.8Low68.7Low44 Ų4423.4 Ų23.436%0.36416%0.159SC..Hα-helixtrans-71-37.4174.100000112.6A1608 A1612 S2482 V2483 F2484A1608-A2486 HydrophobicContact CB-CB 4.16Å; A1612-A2486 HydrophobicContact CB-CB 4.09Å; S2482-A2486 WeakPolarHBondContact O-CB 3.47Å; S2482-A2486 PolarHBondContact O-N 3.2Å; V2483-A2486 WeakPolarHBondContact O-CB 3.45Å; V2483-A2486 PolarHBondContact O-N 3.39Å; F2484-A2486 VanDerWaalsContact C-N 3.34Å
2487A61Low70.6Confident28.5 Ų28.522 Ų2224%0.23614%0.143CC..Hα-helixtrans-81.8-33-176.700000114.5A1612 R1621 V2451 V2483 F2484A1612-A2487 HydrophobicContact CB-CB 3.85Å; R1621-A2487 WeakPolarHBondContact CD-O 3.31Å; V2451-A2487 HydrophobicContact CG2-CB 4Å; V2483-A2487 WeakPolarHBondContact O-CB 3.32Å; V2483-A2487 PolarHBondContact O-N 3.09Å; F2484-A2487 PolarHBondContact O-N 2.91Å
2488L62.2Low72.1Confident53 Ų5320 Ų2028%0.27713%0.13SC..Hα-helixtrans-102.8-5.5178.6-58.4175.9000112.9S1624 L2426 Y2448 V2451 F2484S1624-L2488 WeakPolarHBondContact OG-CD2 3.3Å; L2426-L2488 HydrophobicContact CD2-CB 4.02Å; Y2448-L2488 HydrophobicContact CD1-CD1 4.05Å; Y2448-L2488 HydrophobicContact CE1-CB 4.34Å; Y2448-L2488 HydrophobicContact CE1-CD1 4.05Å; V2451-L2488 HydrophobicContact CB-CD1 4.39Å; V2451-L2488 HydrophobicContact CG1-CD1 3.8Å; V2451-L2488 HydrophobicContact CG2-CD1 4.45Å; F2484-L2488 HydrophobicContact CB-CD1 4.37Å; F2484-L2488 HydrophobicContact CD1-CD1 3.72Å; F2484-L2488 HydrophobicContact CD1-CG 4.31Å; F2484-L2488 HydrophobicContact CE1-CD1 4.48Å; F2484-L2488 HydrophobicContact CG-CD1 4.43Å; F2484-L2488 VanDerWaalsContact O-CB 3.24Å; F2484-L2488 WeakPolarHBondContact O-CB 3.35Å; F2484-L2488 WeakPolarHBondContact O-CG 3.43Å; F2484-L2488 PolarHBondContact O-N 3.16Å
2489G65Low73.4Confident13.5 Ų13.518 Ų1814%0.13912%0.118CC..SBendtrans-82.3164175.800000112.5G2485 S2491G2485-G2489 VanDerWaalsContact O-CA 3.27Å; G2485-G2489 WeakPolarHBondContact O-CA 3.3Å; G2485-G2489 PolarHBondContact O-N 3.31Å; G2485-G2489 VanDerWaalsContact O-N 3.15Å; G2489-S2491 PolarHBondContact O-N 3.43Å
2490P68.1Low74.6Confident21 Ų2117.6 Ų17.614%0.13612%0.115CC..  trans-63.7138.3171.930.1-35.7000110.4I2424 H2425 L2426 Y2492 Q2495I2424-P2490 HydrophobicContact CD1-CG 4.36Å; I2424-P2490 HydrophobicContact CG1-CG 4.2Å; H2425-P2490 HydrophobicContact CB-CB 4.42Å; L2426-P2490 HydrophobicContact CD2-CG 4.2Å; P2490-Y2492 PolarHBondContact O-N 3.09Å; P2490-Q2495 HydrophobicContact CB-CG 3.93Å; P2490-Q2495 HydrophobicContact CG-CG 4.13Å
2491S76.6Confident76.1Confident44.5 Ų44.516.1 Ų16.131%0.31111%0.106SC..  trans-60.7136.3-179.5110.40000112G2489 G2493 L2494 Q2495G2489-S2491 PolarHBondContact O-N 3.43Å; S2491-G2493 VanDerWaalsContact C-N 3.34Å; S2491-G2493 PolarHBondContact O-N 3.15Å; S2491-G2493 PolarHBondContact OG-N 3.13Å; S2491-L2494 PolarHBondContact O-N 3.42Å; S2491-L2494 VanDerWaalsContact O-N 3.16Å; S2491-L2494 VanDerWaalsContact OG-CB 3.31Å; S2491-L2494 WeakPolarHBondContact OG-CB 3.45Å; S2491-Q2495 WeakPolarHBondContact O-CG 3.31Å; S2491-Q2495 PolarHBondContact O-N 3Å; S2491-Q2495 VanDerWaalsContact O-N 3.08Å
2492Y81.2Confident77.4Confident7.5 Ų7.516.1 Ų16.13%0.02910%0.104CC..Hα-helixtrans-55.8-49.1179.7172.7-102.7000111.7P2490 L2494 Q2495 M2496 P2533 A2536 Q2544P2490-Y2492 PolarHBondContact O-N 3.09Å; Y2492-L2494 VanDerWaalsContact C-N 3.32Å; Y2492-L2494 PolarHBondContact O-N 3.07Å; Y2492-Q2495 PolarHBondContact O-N 3.15Å; Y2492-Q2495 VanDerWaalsContact O-N 3.14Å; Y2492-M2496 HydrophobicContact CE1-SD 4.39Å; Y2492-M2496 WeakPolarHBondContact O-CB 3.3Å; Y2492-M2496 PolarHBondContact O-N 3.41Å; Y2492-P2533 HydrophobicContact CD1-CB 4.06Å; Y2492-P2533 HydrophobicContact CD1-CG 3.75Å; Y2492-P2533 HydrophobicContact CE1-CB 4.16Å; Y2492-P2533 HydrophobicContact CE1-CG 3.68Å; Y2492-A2536 HydrophobicContact CD1-CB 4.36Å; Y2492-A2536 HydrophobicContact CD2-CB 4.01Å; Y2492-A2536 HydrophobicContact CE1-CB 4.29Å; Y2492-A2536 HydrophobicContact CE2-CB 3.78Å; Y2492-A2536 HydrophobicContact CG-CB 4.35Å; Y2492-Q2544 VanDerWaalsContact CE1-OE1 3.3Å; Y2492-Q2544 PolarHBondContact OH-OE1 2.77Å
2493G84.5Confident78.6Confident1.5 Ų1.515.3 Ų15.32%0.01510%0.099CC..Hα-helixtrans-58.1-40.5177.800000114.1S2491 M2496 L2497 P2533S2491-G2493 VanDerWaalsContact C-N 3.34Å; S2491-G2493 PolarHBondContact O-N 3.15Å; S2491-G2493 PolarHBondContact OG-N 3.13Å; G2493-M2496 PolarHBondContact O-N 2.81Å; G2493-L2497 WeakPolarHBondContact O-CB 3.47Å; G2493-L2497 PolarHBondContact O-N 3.05Å; G2493-P2533 VanDerWaalsContact CA-O 3.25Å; G2493-P2533 WeakPolarHBondContact CA-O 3.28Å; G2493-P2533 PolarHBondContact N-O 3.17Å
2494L86Confident79.9Confident20.5 Ų20.514.6 Ų14.611%0.10710%0.095CC..Hα-helixtrans-67.1-42.8175.9-178.5108000111.4V2392 A2396 S2491 Y2492 M2496 L2497 L2498V2392-L2494 HydrophobicContact CG1-CD1 4.39Å; V2392-L2494 HydrophobicContact CG1-CD2 3.91Å; A2396-L2494 HydrophobicContact CB-CD1 3.48Å; A2396-L2494 VanDerWaalsContact CB-CD1 3.48Å; S2491-L2494 PolarHBondContact O-N 3.42Å; S2491-L2494 VanDerWaalsContact O-N 3.16Å; S2491-L2494 VanDerWaalsContact OG-CB 3.31Å; S2491-L2494 WeakPolarHBondContact OG-CB 3.45Å; Y2492-L2494 VanDerWaalsContact C-N 3.32Å; Y2492-L2494 PolarHBondContact O-N 3.07Å; L2494-M2496 VanDerWaalsContact C-N 3.29Å; L2494-M2496 PolarHBondContact O-N 3.03Å; L2494-L2497 WeakPolarHBondContact O-CB 3.38Å; L2494-L2497 PolarHBondContact O-N 2.84Å; L2494-L2498 HydrophobicContact CD1-CD1 4.49Å; L2494-L2498 HydrophobicContact CD1-CG 4.49Å; L2494-L2498 HydrophobicContact CD2-CD1 3.66Å; L2494-L2498 HydrophobicContact CD2-CG 4.19Å; L2494-L2498 HydrophobicContact CG-CD1 4.32Å; L2494-L2498 WeakPolarHBondContact O-CG 3.4Å; L2494-L2498 PolarHBondContact O-N 3.11Å
2495Q85.7Confident81.4Confident5.5 Ų5.512.7 Ų12.73%0.0269%0.087CC..Hα-helixtrans-66.5-35.9176.9-65.5-118.2-43.500112.2P2490 S2491 Y2492 A2499P2490-Q2495 HydrophobicContact CB-CG 3.93Å; P2490-Q2495 HydrophobicContact CG-CG 4.13Å; S2491-Q2495 WeakPolarHBondContact O-CG 3.31Å; S2491-Q2495 PolarHBondContact O-N 3Å; S2491-Q2495 VanDerWaalsContact O-N 3.08Å; Y2492-Q2495 PolarHBondContact O-N 3.15Å; Y2492-Q2495 VanDerWaalsContact O-N 3.14Å; Q2495-A2499 VanDerWaalsContact O-CB 3.25Å; Q2495-A2499 WeakPolarHBondContact O-CB 3.42Å; Q2495-A2499 PolarHBondContact O-N 3.19Å
2496M87.6Confident82.7Confident1 Ų114.3 Ų14.31%0.0059%0.092CC..Hα-helixtrans-63.9-46.2174.1179.4-174.773.800110.3Y2492 G2493 L2494 A2499 N2500 L2532 P2533 R2547Y2492-M2496 HydrophobicContact CE1-SD 4.39Å; Y2492-M2496 WeakPolarHBondContact O-CB 3.3Å; Y2492-M2496 PolarHBondContact O-N 3.41Å; G2493-M2496 PolarHBondContact O-N 2.81Å; L2494-M2496 VanDerWaalsContact C-N 3.29Å; L2494-M2496 PolarHBondContact O-N 3.03Å; M2496-A2499 WeakPolarHBondContact O-CB 3.47Å; M2496-A2499 PolarHBondContact O-N 3.11Å; M2496-N2500 WeakPolarHBondContact O-CB 3.36Å; M2496-N2500 VanDerWaalsContact O-CG 3.22Å; M2496-N2500 PolarHBondContact O-N 3.28Å; M2496-N2500 PolarHBondContact O-OD1 3.27Å; M2496-L2532 HydrophobicContact CE-CD2 4.21Å; M2496-P2533 HydrophobicContact CE-CG 3.75Å; M2496-P2533 HydrophobicContact SD-CG 4.13Å; M2496-R2547 HydrophobicContact SD-CG 4.43Å
2497L90.6Very high83.9Confident6 Ų612.2 Ų12.23%0.0318%0.075CC..Hα-helixtrans-62.4-48.2179-174.1104.9000111.7A2396 Q2397 L2400 G2493 L2494 A2499 N2500 T2501 L2532A2396-L2497 HydrophobicContact CB-CD2 3.62Å; A2396-L2497 HydrophobicContact CB-CG 4.26Å; A2396-L2497 WeakPolarHBondContact O-CD2 3.38Å; Q2397-L2497 HydrophobicContact CB-CD2 4.42Å; Q2397-L2497 HydrophobicContact CG-CD1 3.8Å; Q2397-L2497 HydrophobicContact CG-CD2 3.7Å; L2400-L2497 HydrophobicContact CB-CD1 4.02Å; L2400-L2497 HydrophobicContact CB-CD2 4.09Å; L2400-L2497 HydrophobicContact CB-CG 4.34Å; L2400-L2497 HydrophobicContact CD1-CD1 4.11Å; L2400-L2497 HydrophobicContact CD2-CD1 3.64Å; L2400-L2497 HydrophobicContact CD2-CG 4.1Å; L2400-L2497 HydrophobicContact CG-CD1 3.88Å; G2493-L2497 WeakPolarHBondContact O-CB 3.47Å; G2493-L2497 PolarHBondContact O-N 3.05Å; L2494-L2497 WeakPolarHBondContact O-CB 3.38Å; L2494-L2497 PolarHBondContact O-N 2.84Å; L2497-A2499 VanDerWaalsContact C-N 3.3Å; L2497-A2499 PolarHBondContact O-N 3.44Å; L2497-N2500 CarbonylContact O-C 3.6Å; L2497-N2500 WeakPolarHBondContact O-CA 3.33Å; L2497-N2500 WeakPolarHBondContact O-CB 3.29Å; L2497-N2500 PolarHBondContact O-N 3.33Å; L2497-N2500 VanDerWaalsContact O-N 3.11Å; L2497-T2501 PolarHBondContact O-N 3.31Å; L2497-T2501 PolarHBondContact O-OG1 3.15Å; L2497-L2532 HydrophobicContact CB-CD1 4.25Å; L2497-L2532 HydrophobicContact CB-CD2 4.33Å; L2497-L2532 HydrophobicContact CD1-CD1 3.97Å; L2497-L2532 HydrophobicContact CD1-CD2 3.99Å; L2497-L2532 HydrophobicContact CD2-CD1 4.06Å; L2497-L2532 HydrophobicContact CD2-CD2 4.33Å
2498L90.2Very high85Confident2.5 Ų2.510.9 Ų10.91%0.0137%0.065CC..Hα-helixtrans-62.7-36.4175.8-67.8177.8000112.2A2396 V2418 L2421 R2422 L2494 N2500 T2501 V2502A2396-L2498 HydrophobicContact CB-CD2 3.96Å; V2418-L2498 HydrophobicContact CG1-CB 4.14Å; V2418-L2498 HydrophobicContact CG1-CD2 4.15Å; V2418-L2498 HydrophobicContact CG2-CD2 4.39Å; L2421-L2498 HydrophobicContact CB-CD1 4.2Å; L2421-L2498 HydrophobicContact CB-CD2 4.19Å; L2421-L2498 HydrophobicContact CD1-CD2 4.41Å; R2422-L2498 HydrophobicContact CB-CD1 4.19Å; L2494-L2498 HydrophobicContact CD1-CD1 4.49Å; L2494-L2498 HydrophobicContact CD1-CG 4.49Å; L2494-L2498 HydrophobicContact CD2-CD1 3.66Å; L2494-L2498 HydrophobicContact CD2-CG 4.19Å; L2494-L2498 HydrophobicContact CG-CD1 4.32Å; L2494-L2498 WeakPolarHBondContact O-CG 3.4Å; L2494-L2498 PolarHBondContact O-N 3.11Å; L2498-N2500 VanDerWaalsContact C-N 3.35Å; L2498-T2501 WeakPolarHBondContact O-CB 3.39Å; L2498-T2501 PolarHBondContact O-N 3.3Å; L2498-V2502 WeakPolarHBondContact O-CG2 3.45Å; L2498-V2502 PolarHBondContact O-N 2.78Å; L2498-V2502 VanDerWaalsContact O-N 3.12Å
2499A89.9Confident86Confident2 Ų29.4 Ų9.42%0.0176%0.062CC..Hα-helixtrans-64.5-40.5173.400000111.5Q2495 M2496 L2497 T2501 V2502 G2503Q2495-A2499 VanDerWaalsContact O-CB 3.25Å; Q2495-A2499 WeakPolarHBondContact O-CB 3.42Å; Q2495-A2499 PolarHBondContact O-N 3.19Å; M2496-A2499 WeakPolarHBondContact O-CB 3.47Å; M2496-A2499 PolarHBondContact O-N 3.11Å; L2497-A2499 VanDerWaalsContact C-N 3.3Å; L2497-A2499 PolarHBondContact O-N 3.44Å; A2499-T2501 VanDerWaalsContact C-N 3.33Å; A2499-V2502 PolarHBondContact O-N 2.88Å; A2499-G2503 PolarHBondContact O-N 3.08Å
2500N91.5Very high86.9Confident4 Ų49 Ų92%0.0216%0.058CC..Hα-helixtrans-65.2-38.2174.7-69.1-4.5000111.8L2400 M2496 L2497 L2498 V2502 G2503 L2504 F2528L2400-N2500 HydrophobicContact CD1-CB 4.06Å; M2496-N2500 WeakPolarHBondContact O-CB 3.36Å; M2496-N2500 VanDerWaalsContact O-CG 3.22Å; M2496-N2500 PolarHBondContact O-N 3.28Å; M2496-N2500 PolarHBondContact O-OD1 3.27Å; L2497-N2500 CarbonylContact O-C 3.6Å; L2497-N2500 WeakPolarHBondContact O-CA 3.33Å; L2497-N2500 WeakPolarHBondContact O-CB 3.29Å; L2497-N2500 PolarHBondContact O-N 3.33Å; L2497-N2500 VanDerWaalsContact O-N 3.11Å; L2498-N2500 VanDerWaalsContact C-N 3.35Å; N2500-V2502 PolarHBondContact O-N 3.48Å; N2500-G2503 CarbonylContact O-C 3.57Å; N2500-G2503 WeakPolarHBondContact O-CA 3.25Å; N2500-G2503 PolarHBondContact O-N 3.07Å; N2500-L2504 WeakPolarHBondContact O-CB 3.33Å; N2500-L2504 WeakPolarHBondContact O-CG 3.44Å; N2500-L2504 PolarHBondContact O-N 3.04Å; N2500-F2528 HydrophobicContact CB-CE1 4.31Å
2501T93.2Very high87.8Confident0 Ų010.6 Ų10.60%06%0.061CC..Hα-helixtrans-57.6-48.5173.4-47.70000111.5L2399 A2403 V2414 V2418 L2497 L2498 A2499 G2503 L2504 L2505L2399-T2501 HydrophobicContact CB-CG2 4.25Å; L2399-T2501 WeakPolarHBondContact O-CG2 3.3Å; A2403-T2501 HydrophobicContact CB-CG2 3.6Å; V2414-T2501 HydrophobicContact CG1-CG2 4.28Å; V2418-T2501 HydrophobicContact CG2-CG2 3.63Å; L2497-T2501 PolarHBondContact O-N 3.31Å; L2497-T2501 PolarHBondContact O-OG1 3.15Å; L2498-T2501 WeakPolarHBondContact O-CB 3.39Å; L2498-T2501 PolarHBondContact O-N 3.3Å; A2499-T2501 VanDerWaalsContact C-N 3.33Å; T2501-G2503 VanDerWaalsContact C-N 3.26Å; T2501-G2503 PolarHBondContact O-N 2.96Å; T2501-L2504 PolarHBondContact O-N 3.32Å; T2501-L2505 HydrophobicContact CG2-CD1 4.5Å; T2501-L2505 VanDerWaalsContact O-CG 3.28Å; T2501-L2505 WeakPolarHBondContact O-CG 3.4Å; T2501-L2505 PolarHBondContact O-N 3.01Å; T2501-L2505 VanDerWaalsContact O-N 3.12Å
2502V92.1Very high88.4Confident8.5 Ų8.58.7 Ų8.75%0.0525%0.048CC..Hα-helixtrans-68.3-32.6175.4-172.40000111.5L2415 V2418 L2498 A2499 N2500 L2504 L2505 F2506L2415-V2502 HydrophobicContact CD1-CG1 4.02Å; L2415-V2502 HydrophobicContact CD1-CG2 4.25Å; V2418-V2502 HydrophobicContact CB-CG2 4.38Å; V2418-V2502 HydrophobicContact CG1-CG2 3.54Å; V2418-V2502 VanDerWaalsContact CG1-CG2 3.5Å; L2498-V2502 WeakPolarHBondContact O-CG2 3.45Å; L2498-V2502 PolarHBondContact O-N 2.78Å; L2498-V2502 VanDerWaalsContact O-N 3.12Å; A2499-V2502 PolarHBondContact O-N 2.88Å; N2500-V2502 PolarHBondContact O-N 3.48Å; V2502-L2504 PolarHBondContact O-N 3.1Å; V2502-L2505 PolarHBondContact O-N 2.92Å; V2502-F2506 HydrophobicContact CG1-CD2 4.18Å; V2502-F2506 HydrophobicContact CG1-CE2 4.26Å; V2502-F2506 WeakPolarHBondContact O-CD2 3.42Å; V2502-F2506 PolarHBondContact O-N 3.29Å
2503G90.4Very high88.8Confident0 Ų08.5 Ų8.50%05%0.047CC..Hα-helixtrans-60.9-50.1174.300000112.5A2499 N2500 T2501 L2505 F2506 L2507A2499-G2503 PolarHBondContact O-N 3.08Å; N2500-G2503 CarbonylContact O-C 3.57Å; N2500-G2503 WeakPolarHBondContact O-CA 3.25Å; N2500-G2503 PolarHBondContact O-N 3.07Å; T2501-G2503 VanDerWaalsContact C-N 3.26Å; T2501-G2503 PolarHBondContact O-N 2.96Å; G2503-L2505 PolarHBondContact O-N 3.39Å; G2503-F2506 CarbonylContact O-C 3.52Å; G2503-F2506 VanDerWaalsContact O-C 3.26Å; G2503-F2506 PolarHBondContact O-N 3.25Å; G2503-F2506 VanDerWaalsContact O-N 3.14Å; G2503-L2507 VanDerWaalsContact O-CA 3.28Å; G2503-L2507 WeakPolarHBondContact O-CA 3.34Å; G2503-L2507 PolarHBondContact O-N 3.08Å
2504L92.8Very high89.2Confident0 Ų08.4 Ų8.40%05%0.046CC..Hα-helixtrans-63.5-42.7177.6-76.9176.2000112.7L2400 A2403 M2404 A2407 G2408 N2500 T2501 V2502 F2506 L2507 L2514 F2528L2400-L2504 HydrophobicContact CD1-CD1 3.78Å; A2403-L2504 HydrophobicContact CB-CB 4.1Å; A2403-L2504 HydrophobicContact CB-CD1 4.31Å; M2404-L2504 HydrophobicContact CG-CD1 3.91Å; A2407-L2504 CarbonylContact C-O 3.57Å; A2407-L2504 WeakPolarHBondContact CA-O 3.3Å; G2408-L2504 PolarHBondContact N-O 3.37Å; N2500-L2504 WeakPolarHBondContact O-CB 3.33Å; N2500-L2504 WeakPolarHBondContact O-CG 3.44Å; N2500-L2504 PolarHBondContact O-N 3.04Å; T2501-L2504 PolarHBondContact O-N 3.32Å; V2502-L2504 PolarHBondContact O-N 3.1Å; L2504-F2506 PolarHBondContact O-N 3.14Å; L2504-F2506 VanDerWaalsContact O-N 3.16Å; L2504-L2507 WeakPolarHBondContact O-CB 3.36Å; L2504-L2507 PolarHBondContact O-N 3.13Å; L2504-L2514 HydrophobicContact CD2-CD1 4Å; L2504-L2514 HydrophobicContact CD2-CD2 4.13Å; L2504-L2514 HydrophobicContact CD2-CG 4.28Å; L2504-F2528 HydrophobicContact CD1-CE1 4.33Å; L2504-F2528 HydrophobicContact CD1-CE2 4Å; L2504-F2528 HydrophobicContact CD1-CZ 3.73Å; L2504-F2528 HydrophobicContact CD2-CE2 4.21Å; L2504-F2528 HydrophobicContact CD2-CZ 3.9Å; L2504-F2528 HydrophobicContact CG-CE2 4.47Å; L2504-F2528 HydrophobicContact CG-CZ 4.02Å
2505L91.9Very high89.5Confident0 Ų07.6 Ų7.60%04%0.042CC..Hα-helixtrans-58.4-30.7177-72.7170.2000112.5A2403 L2406 G2408 S2409 G2410 N2411 V2414 T2501 V2502 G2503A2403-L2505 HydrophobicContact CB-CD2 4.38Å; A2403-L2505 HydrophobicContact CB-CG 4.21Å; L2406-L2505 HydrophobicContact CB-CD2 4.19Å; G2408-L2505 CarbonylContact C-O 3.42Å; G2408-L2505 VanDerWaalsContact C-O 3.27Å; G2408-L2505 VanDerWaalsContact CA-O 3.28Å; G2408-L2505 WeakPolarHBondContact CA-O 3.46Å; G2408-L2505 PolarHBondContact N-O 3.34Å; S2409-L2505 PolarHBondContact N-O 3.09Å; G2410-L2505 WeakPolarHBondContact CA-O 3.2Å; G2410-L2505 PolarHBondContact N-O 3.35Å; N2411-L2505 HydrophobicContact CB-CD2 4.32Å; V2414-L2505 HydrophobicContact CB-CD1 3.84Å; V2414-L2505 HydrophobicContact CB-CD2 4.21Å; V2414-L2505 HydrophobicContact CG1-CD1 3.76Å; V2414-L2505 HydrophobicContact CG1-CD2 4.31Å; V2414-L2505 HydrophobicContact CG1-CG 4.48Å; V2414-L2505 HydrophobicContact CG2-CD2 4.38Å; T2501-L2505 HydrophobicContact CG2-CD1 4.5Å; T2501-L2505 VanDerWaalsContact O-CG 3.28Å; T2501-L2505 WeakPolarHBondContact O-CG 3.4Å; T2501-L2505 PolarHBondContact O-N 3.01Å; T2501-L2505 VanDerWaalsContact O-N 3.12Å; V2502-L2505 PolarHBondContact O-N 2.92Å; G2503-L2505 PolarHBondContact O-N 3.39Å
2506F90.8Very high89.6Confident37 Ų378.7 Ų8.716%0.1625%0.048CC..THydrogen-bonded Turntrans-118.433.9-179.5-65.7-80.9000112.6L2415 V2502 G2503 L2504 G2508 G2509L2415-F2506 HydrophobicContact CD1-CE2 4.25Å; L2415-F2506 HydrophobicContact CD2-CE2 4.13Å; L2415-F2506 HydrophobicContact CD2-CZ 4.2Å; V2502-F2506 HydrophobicContact CG1-CD2 4.18Å; V2502-F2506 HydrophobicContact CG1-CE2 4.26Å; V2502-F2506 WeakPolarHBondContact O-CD2 3.42Å; V2502-F2506 PolarHBondContact O-N 3.29Å; G2503-F2506 CarbonylContact O-C 3.52Å; G2503-F2506 VanDerWaalsContact O-C 3.26Å; G2503-F2506 PolarHBondContact O-N 3.25Å; G2503-F2506 VanDerWaalsContact O-N 3.14Å; L2504-F2506 PolarHBondContact O-N 3.14Å; L2504-F2506 VanDerWaalsContact O-N 3.16Å; F2506-G2508 PolarHBondContact O-N 3.18Å; F2506-G2509 WeakPolarHBondContact O-CA 3.34Å; F2506-G2509 PolarHBondContact O-N 3.36Å
2507L90.6Very high89.7Confident0 Ų011.3 Ų11.30%07%0.065CC..G310 helixtrans-54.6120.3-175-171.470.1000111.8G2503 L2504 G2509 G2510 L2512 L2514 Y2550 T2554G2503-L2507 VanDerWaalsContact O-CA 3.28Å; G2503-L2507 WeakPolarHBondContact O-CA 3.34Å; G2503-L2507 PolarHBondContact O-N 3.08Å; L2504-L2507 WeakPolarHBondContact O-CB 3.36Å; L2504-L2507 PolarHBondContact O-N 3.13Å; L2507-G2509 PolarHBondContact O-N 3.15Å; L2507-G2510 WeakPolarHBondContact O-CA 3.48Å; L2507-G2510 PolarHBondContact O-N 3.23Å; L2507-L2512 HydrophobicContact CB-CB 4.46Å; L2507-L2512 HydrophobicContact CD2-CB 3.91Å; L2507-L2512 HydrophobicContact CG-CB 3.86Å; L2507-L2512 PolarHBondContact O-N 3.17Å; L2507-L2514 HydrophobicContact CD2-CD2 4.02Å; L2507-L2514 HydrophobicContact CD2-CG 4.39Å; L2507-Y2550 HydrophobicContact CD1-CD2 4.32Å; L2507-Y2550 HydrophobicContact CD1-CE2 4.26Å; L2507-T2554 HydrophobicContact CD1-CG2 4.22Å; L2507-T2554 HydrophobicContact CD2-CG2 3.84Å; L2507-T2554 HydrophobicContact CG-CG2 4.38Å
2508G84.2Confident89.8Confident1.5 Ų1.512.8 Ų12.82%0.0158%0.075CC..G310 helixtrans53.235.8-174.900000114.1F2506 G2510 R2511F2506-G2508 PolarHBondContact O-N 3.18Å; G2508-G2510 VanDerWaalsContact C-N 3.27Å; G2508-G2510 PolarHBondContact O-N 3.21Å; G2508-R2511 VanDerWaalsContact O-CB 3.26Å; G2508-R2511 WeakPolarHBondContact O-CB 3.41Å; G2508-R2511 PolarHBondContact O-N 3.13Å; G2508-R2511 VanDerWaalsContact O-N 3.16Å
2509G83.3Confident89.9Confident21.5 Ų21.516.7 Ų16.722%0.2229%0.093CC..G310 helixtrans6920.3-174.800000114.6F2506 L2507 R2511F2506-G2509 WeakPolarHBondContact O-CA 3.34Å; F2506-G2509 PolarHBondContact O-N 3.36Å; L2507-G2509 PolarHBondContact O-N 3.15Å; G2509-R2511 VanDerWaalsContact C-N 3.33Å
2510G84.8Confident90.1Very high5.5 Ų5.516.8 Ų16.86%0.0579%0.093CC..G310 helixtrans86.66.7-175.400000114.3L2507 G2508 R2558L2507-G2510 WeakPolarHBondContact O-CA 3.48Å; L2507-G2510 PolarHBondContact O-N 3.23Å; G2508-G2510 VanDerWaalsContact C-N 3.27Å; G2508-G2510 PolarHBondContact O-N 3.21Å; G2510-R2558 WeakPolarHBondContact O-CB 3.26Å; G2510-R2558 WeakPolarHBondContact O-CD 3.44Å; G2510-R2558 PolarHBondContact O-NE 3.27Å
2511R85.3Confident90.2Very high54 Ų5416.7 Ų16.720%0.2049%0.093CC..THydrogen-bonded Turntrans-77.4-32.1172.7136.5-179.9179.380.14.7112.3G2508 G2509 R2557 R2558 Y2633 A2635G2508-R2511 VanDerWaalsContact O-CB 3.26Å; G2508-R2511 WeakPolarHBondContact O-CB 3.41Å; G2508-R2511 PolarHBondContact O-N 3.13Å; G2508-R2511 VanDerWaalsContact O-N 3.16Å; G2509-R2511 VanDerWaalsContact C-N 3.33Å; R2511-R2557 PolarHBondContact O-N 2.9Å; R2511-R2558 PolarHBondContact O-N 2.8Å; R2511-Y2633 PolarHBondContact NH2-O 2.86Å; R2511-A2635 PolarHBondContact NH1-O 2.94Å; R2511-A2635 PolarHBondContact NH2-O 2.95Å
2512L89Confident90.3Very high5 Ų516.7 Ų16.73%0.0269%0.093CC..EExtended strand (participates in β ladder)trans-105.6153-172.8-64.2177.4000110.9G2408 L2507 T2554 I2555 P2556G2408-L2512 WeakPolarHBondContact CA-O 3.34Å; L2507-L2512 HydrophobicContact CB-CB 4.46Å; L2507-L2512 HydrophobicContact CD2-CB 3.91Å; L2507-L2512 HydrophobicContact CG-CB 3.86Å; L2507-L2512 PolarHBondContact O-N 3.17Å; L2512-T2554 HydrophobicContact CD1-CG2 4.27Å; L2512-I2555 WeakPolarHBondContact CA-O 3.22Å; L2512-P2556 HydrophobicContact CD2-CB 4.3Å
2513T91.5Very high90.5Very high2 Ų216.3 Ų16.31%0.0129%0.091CC..EExtended strand (participates in β ladder)trans-131176.7164.81340000109.6G2338 A2407 T2554 I2555 R2557 V2592G2338-T2513 VanDerWaalsContact CA-OG1 3.29Å; G2338-T2513 WeakPolarHBondContact CA-OG1 3.42Å; A2407-T2513 PolarHBondContact O-OG1 2.84Å; T2513-T2554 CarbonylContact O-C 3.58Å; T2513-T2554 VanDerWaalsContact O-CA 3.32Å; T2513-T2554 WeakPolarHBondContact O-CA 3.36Å; T2513-I2555 PolarHBondContact N-O 3.08Å; T2513-I2555 PolarHBondContact O-N 3.31Å; T2513-R2557 HydrophobicContact CG2-CB 3.86Å; T2513-R2557 HydrophobicContact CG2-CG 4.34Å; T2513-R2557 WeakPolarHBondContact OG1-CD 3.35Å; T2513-R2557 VanDerWaalsContact OG1-CG 3.29Å; T2513-R2557 WeakPolarHBondContact OG1-CG 3.26Å; T2513-R2557 PolarHBondContact OG1-NE 3.44Å; T2513-V2592 HydrophobicContact CG2-CG1 3.86Å
2514L92.7Very high90.7Very high0 Ų016.4 Ų16.40%09%0.091CC..EExtended strand (participates in β ladder)trans-83.1151.6170.8-62.5-177.3000110.9A2337 M2404 A2407 L2504 L2507 L2524 T2554 R2557 S2595A2337-L2514 HydrophobicContact CB-CB 4.06Å; A2337-L2514 HydrophobicContact CB-CD1 4.31Å; M2404-L2514 HydrophobicContact CB-CD1 3.93Å; M2404-L2514 HydrophobicContact CG-CD1 4.01Å; A2407-L2514 HydrophobicContact CB-CB 4.38Å; A2407-L2514 HydrophobicContact CB-CD1 4.18Å; A2407-L2514 HydrophobicContact CB-CG 3.78Å; L2504-L2514 HydrophobicContact CD2-CD1 4Å; L2504-L2514 HydrophobicContact CD2-CD2 4.13Å; L2504-L2514 HydrophobicContact CD2-CG 4.28Å; L2507-L2514 HydrophobicContact CD2-CD2 4.02Å; L2507-L2514 HydrophobicContact CD2-CG 4.39Å; L2514-L2524 HydrophobicContact CB-CD1 4.42Å; L2514-L2524 HydrophobicContact CD1-CD1 4.07Å; L2514-L2524 HydrophobicContact CD1-CD2 3.75Å; L2514-L2524 HydrophobicContact CD2-CD2 3.89Å; L2514-L2524 HydrophobicContact CG-CD2 4.36Å; L2514-T2554 HydrophobicContact CD2-CG2 4.37Å; L2514-R2557 PolarHBondContact O-NH2 3.44Å; L2514-S2595 VanDerWaalsContact O-CB 3.31Å; L2514-S2595 WeakPolarHBondContact O-CB 3.46Å; L2514-S2595 PolarHBondContact O-OG 3.41Å
2515A90.5Very high90.8Very high3 Ų316.5 Ų16.53%0.0259%0.092CC..  trans-93.3150.2173.600000111.9A2520 A2553 I2555 D2596A2515-A2520 HydrophobicContact CB-CB 3.6Å; A2515-A2520 VanDerWaalsContact O-CB 3.26Å; A2515-A2520 WeakPolarHBondContact O-CB 3.46Å; A2515-A2553 WeakPolarHBondContact CB-O 3.44Å; A2515-A2553 PolarHBondContact N-O 3.21Å; A2515-I2555 HydrophobicContact CB-CD1 3.44Å; A2515-I2555 HydrophobicContact CB-CG1 3.86Å; A2515-D2596 WeakPolarHBondContact CA-OD2 3.39Å; A2515-D2596 WeakPolarHBondContact CB-OD2 3.48Å
2516N88.3Confident91Very high29 Ų2916.5 Ų16.516%0.1559%0.092CC..  trans-103.517175.7-106.4-35.5000112.9L2334 R2335 A2337 D2596L2334-N2516 PolarHBondContact O-OD1 2.61Å; R2335-N2516 PolarHBondContact O-ND2 3.08Å; R2335-N2516 PolarHBondContact O-OD1 2.82Å; A2337-N2516 PolarHBondContact N-OD1 3.44Å; A2337-N2516 VanDerWaalsContact O-CG 3.27Å; A2337-N2516 PolarHBondContact O-ND2 3.02Å; A2337-N2516 PolarHBondContact O-OD1 2.97Å; N2516-D2596 VanDerWaalsContact CB-OD1 3.27Å; N2516-D2596 WeakPolarHBondContact CB-OD1 3.46Å; N2516-D2596 WeakPolarHBondContact CB-OD2 3.48Å; N2516-D2596 VanDerWaalsContact N-CG 3.32Å; N2516-D2596 PolarHBondContact N-OD1 2.97Å; N2516-D2596 PolarHBondContact N-OD2 3.32Å; N2516-D2596 PolarHBondContact ND2-OD1 3.48Å; N2516-D2596 PolarHBondContact ND2-OD2 3Å
2517T90.6Very high91.2Very high56.5 Ų56.514.8 Ų14.835%0.3478%0.084SC..SBendtrans-67.3152173.864.60000110E2519 A2520 A2521T2517-E2519 PolarHBondContact O-N 3.2Å; T2517-A2520 WeakPolarHBondContact O-CA 3.46Å; T2517-A2520 WeakPolarHBondContact O-CB 3.42Å; T2517-A2520 PolarHBondContact O-N 3.38Å; T2517-A2520 VanDerWaalsContact OG1-CB 3.27Å; T2517-A2520 WeakPolarHBondContact OG1-CB 3.36Å; T2517-A2520 PolarHBondContact OG1-N 3.16Å; T2517-A2520 VanDerWaalsContact OG1-N 3.14Å; T2517-A2521 PolarHBondContact O-N 3.31Å
2518P91.7Very high91.3Very high37 Ų3715.1 Ų15.124%0.249%0.086CC..Hα-helixtrans-58.8-33.8178.323.1-35.1000112.5Q1918 L2137 A2521 A2522Q1918-P2518 VanDerWaalsContact CD-CB 3.45Å; Q1918-P2518 HydrophobicContact CG-CB 3.91Å; Q1918-P2518 HydrophobicContact CG-CG 4.49Å; L2137-P2518 HydrophobicContact CD2-CB 3.61Å; L2137-P2518 VanDerWaalsContact CD2-CB 3.42Å; L2137-P2518 HydrophobicContact CG-CB 4.38Å; P2518-A2521 PolarHBondContact O-N 3.05Å; P2518-A2522 WeakPolarHBondContact O-CB 3.36Å; P2518-A2522 PolarHBondContact O-N 3.18Å
2519E93.2Very high91.8Very high85 Ų8515 Ų1540%0.3979%0.085SC..Hα-helixtrans-64.4-46.6172.7-56.4176.5-173.800111.4Q1830 L1917 T2517 A2522 M2523Q1830-E2519 VanDerWaalsContact NE2-CG 3.32Å; Q1830-E2519 PolarHBondContact NE2-OE2 3.02Å; L1917-E2519 HydrophobicContact CD2-CB 4.34Å; L1917-E2519 HydrophobicContact CD2-CG 3.88Å; T2517-E2519 PolarHBondContact O-N 3.2Å; E2519-A2522 WeakPolarHBondContact O-CB 3.43Å; E2519-A2522 PolarHBondContact O-N 3.13Å; E2519-M2523 VanDerWaalsContact O-CG 3.27Å; E2519-M2523 WeakPolarHBondContact O-CG 3.24Å; E2519-M2523 PolarHBondContact O-N 3.28Å
2520A93.6Very high92.1Very high3 Ų314.4 Ų14.43%0.0258%0.077CC..Hα-helixtrans-63.8-42.1176.800000111.7A2515 T2517 A2522 M2523 L2524 A2553A2515-A2520 HydrophobicContact CB-CB 3.6Å; A2515-A2520 VanDerWaalsContact O-CB 3.26Å; A2515-A2520 WeakPolarHBondContact O-CB 3.46Å; T2517-A2520 WeakPolarHBondContact O-CA 3.46Å; T2517-A2520 WeakPolarHBondContact O-CB 3.42Å; T2517-A2520 PolarHBondContact O-N 3.38Å; T2517-A2520 VanDerWaalsContact OG1-CB 3.27Å; T2517-A2520 WeakPolarHBondContact OG1-CB 3.36Å; T2517-A2520 PolarHBondContact OG1-N 3.16Å; T2517-A2520 VanDerWaalsContact OG1-N 3.14Å; A2520-A2522 VanDerWaalsContact C-N 3.33Å; A2520-A2522 PolarHBondContact O-N 3.35Å; A2520-M2523 PolarHBondContact O-N 3.21Å; A2520-L2524 WeakPolarHBondContact O-CB 3.32Å; A2520-L2524 WeakPolarHBondContact O-CG 3.42Å; A2520-L2524 PolarHBondContact O-N 3.23Å; A2520-A2553 HydrophobicContact CB-CB 3.82Å
2521A93.9Very high92.3Very high1.5 Ų1.516 Ų161%0.0128%0.084CC..Hα-helixtrans-57.1-45.9173.800000111.4L2137 W2177 T2517 P2518 L2524 V2525L2137-A2521 HydrophobicContact CD1-CB 4.24Å; W2177-A2521 HydrophobicContact CH2-CB 3.78Å; W2177-A2521 HydrophobicContact CZ2-CB 4.25Å; W2177-A2521 HydrophobicContact CZ3-CB 4.47Å; T2517-A2521 PolarHBondContact O-N 3.31Å; P2518-A2521 PolarHBondContact O-N 3.05Å; A2521-L2524 PolarHBondContact O-N 3.19Å; A2521-V2525 VanDerWaalsContact O-CG2 3.3Å; A2521-V2525 WeakPolarHBondContact O-CG2 3.43Å; A2521-V2525 PolarHBondContact O-N 2.92Å
2522A95.3Very high92.4Very high1 Ų115.9 Ų15.91%0.0089%0.087CC..Hα-helixtrans-60-47.5174.500000112.3L1914 L1917 M2134 P2518 E2519 A2520 L2524 V2525 I2526L1914-A2522 HydrophobicContact CD2-CB 4.09Å; L1917-A2522 HydrophobicContact CD1-CB 3.8Å; L1917-A2522 HydrophobicContact CD2-CB 4.35Å; M2134-A2522 HydrophobicContact CE-CB 4.13Å; M2134-A2522 HydrophobicContact CG-CB 4.47Å; M2134-A2522 HydrophobicContact SD-CB 4.26Å; P2518-A2522 WeakPolarHBondContact O-CB 3.36Å; P2518-A2522 PolarHBondContact O-N 3.18Å; E2519-A2522 WeakPolarHBondContact O-CB 3.43Å; E2519-A2522 PolarHBondContact O-N 3.13Å; A2520-A2522 VanDerWaalsContact C-N 3.33Å; A2520-A2522 PolarHBondContact O-N 3.35Å; A2522-L2524 VanDerWaalsContact C-N 3.28Å; A2522-L2524 PolarHBondContact O-N 3.16Å; A2522-V2525 PolarHBondContact O-N 3.22Å; A2522-I2526 WeakPolarHBondContact O-CD1 3.37Å; A2522-I2526 VanDerWaalsContact O-CG1 3.29Å; A2522-I2526 WeakPolarHBondContact O-CG1 3.47Å; A2522-I2526 PolarHBondContact O-N 3.16Å; A2522-I2526 VanDerWaalsContact O-N 3.15Å
2523M95.3Very high92.1Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-62.2-35.4176.9-60.5-41.5-58.400112.7F1823 L1827 L1914 E2519 A2520 I2526 S2527 F2549 L2552 A2553F1823-M2523 HydrophobicContact CZ-CE 4.49Å; L1827-M2523 HydrophobicContact CD2-CE 4.01Å; L1827-M2523 HydrophobicContact CD2-SD 4.42Å; L1914-M2523 HydrophobicContact CD2-SD 4.16Å; E2519-M2523 VanDerWaalsContact O-CG 3.27Å; E2519-M2523 WeakPolarHBondContact O-CG 3.24Å; E2519-M2523 PolarHBondContact O-N 3.28Å; A2520-M2523 PolarHBondContact O-N 3.21Å; M2523-I2526 HydrophobicContact CE-CD1 4.26Å; M2523-I2526 PolarHBondContact O-N 3.02Å; M2523-I2526 HydrophobicContact SD-CD1 4.43Å; M2523-S2527 VanDerWaalsContact O-CB 3.3Å; M2523-S2527 WeakPolarHBondContact O-CB 3.5Å; M2523-S2527 PolarHBondContact O-N 3.19Å; M2523-S2527 PolarHBondContact O-OG 2.89Å; M2523-F2549 HydrophobicContact CE-CB 3.87Å; M2523-F2549 HydrophobicContact CE-CD1 3.5Å; M2523-F2549 VanDerWaalsContact CE-CD1 3.42Å; M2523-F2549 HydrophobicContact CE-CE1 4.35Å; M2523-F2549 HydrophobicContact CE-CG 4.16Å; M2523-L2552 HydrophobicContact CE-CB 4.17Å; M2523-L2552 HydrophobicContact CE-CD1 3.94Å; M2523-L2552 HydrophobicContact CE-CG 4.47Å; M2523-L2552 HydrophobicContact CG-CB 4.31Å; M2523-A2553 HydrophobicContact CB-CB 4.17Å
2524L95.6Very high91.5Very high1 Ų120.2 Ų20.21%0.00511%0.114CC..Hα-helixtrans-70.8-42.3178.2-72.2169.8000111.9L2334 A2337 L2514 A2520 A2521 A2522 I2526 S2527 F2528 A2553L2334-L2524 HydrophobicContact CD2-CB 3.51Å; L2334-L2524 VanDerWaalsContact CD2-CB 3.5Å; L2334-L2524 HydrophobicContact CD2-CD1 4.34Å; A2337-L2524 HydrophobicContact CB-CD1 4.12Å; L2514-L2524 HydrophobicContact CB-CD1 4.42Å; L2514-L2524 HydrophobicContact CD1-CD1 4.07Å; L2514-L2524 HydrophobicContact CD1-CD2 3.75Å; L2514-L2524 HydrophobicContact CD2-CD2 3.89Å; L2514-L2524 HydrophobicContact CG-CD2 4.36Å; A2520-L2524 WeakPolarHBondContact O-CB 3.32Å; A2520-L2524 WeakPolarHBondContact O-CG 3.42Å; A2520-L2524 PolarHBondContact O-N 3.23Å; A2521-L2524 PolarHBondContact O-N 3.19Å; A2522-L2524 VanDerWaalsContact C-N 3.28Å; A2522-L2524 PolarHBondContact O-N 3.16Å; L2524-I2526 VanDerWaalsContact C-N 3.27Å; L2524-I2526 PolarHBondContact O-N 3.22Å; L2524-S2527 PolarHBondContact O-N 3.08Å; L2524-S2527 PolarHBondContact O-OG 3.49Å; L2524-F2528 HydrophobicContact CB-CD2 4.37Å; L2524-F2528 HydrophobicContact CD2-CD2 3.84Å; L2524-F2528 HydrophobicContact CD2-CE2 3.54Å; L2524-F2528 WeakPolarHBondContact O-CA 3.32Å; L2524-F2528 VanDerWaalsContact O-CB 3.27Å; L2524-F2528 WeakPolarHBondContact O-CB 3.38Å; L2524-F2528 PolarHBondContact O-N 3.09Å; L2524-A2553 HydrophobicContact CD1-CB 4.37Å; L2524-A2553 HydrophobicContact CD2-CB 4.03Å; L2524-A2553 HydrophobicContact CG-CB 3.82Å
2525V95.4Very high90.8Very high3.5 Ų3.522.7 Ų22.72%0.02113%0.125CC..Hα-helixtrans-56.4-43.2171.9170.80000110.6M2130 M2134 L2170 L2174 L2334 A2521 A2522 F2528 F2529M2130-V2525 HydrophobicContact SD-CG1 3.8Å; M2134-V2525 HydrophobicContact CE-CB 3.83Å; M2134-V2525 HydrophobicContact CE-CG1 3.55Å; L2170-V2525 HydrophobicContact CD2-CG1 4.35Å; L2170-V2525 HydrophobicContact CD2-CG2 4.26Å; L2174-V2525 HydrophobicContact CD1-CG2 4.18Å; L2174-V2525 HydrophobicContact CD2-CG2 4.19Å; L2334-V2525 HydrophobicContact CD1-CG2 3.48Å; L2334-V2525 VanDerWaalsContact CD1-CG2 3.44Å; L2334-V2525 HydrophobicContact CD2-CG2 4.26Å; L2334-V2525 HydrophobicContact CG-CG2 4.45Å; A2521-V2525 VanDerWaalsContact O-CG2 3.3Å; A2521-V2525 WeakPolarHBondContact O-CG2 3.43Å; A2521-V2525 PolarHBondContact O-N 2.92Å; A2522-V2525 PolarHBondContact O-N 3.22Å; V2525-F2528 CarbonylContact O-C 3.57Å; V2525-F2529 VanDerWaalsContact O-CA 3.31Å; V2525-F2529 WeakPolarHBondContact O-CA 3.38Å; V2525-F2529 PolarHBondContact O-N 3.42Å
2526I95.7Very high90.1Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-66-49.3177.6-67.4157.3000111.1F1823 L1910 L1914 M2134 A2522 M2523 L2524 F2528 F2529 H2542 L2546F1823-I2526 HydrophobicContact CE2-CD1 3.79Å; F1823-I2526 HydrophobicContact CE2-CG1 4.21Å; F1823-I2526 HydrophobicContact CE2-CG2 3.85Å; F1823-I2526 HydrophobicContact CZ-CD1 3.89Å; F1823-I2526 HydrophobicContact CZ-CG2 3.75Å; L1910-I2526 HydrophobicContact CB-CG1 4.45Å; L1910-I2526 HydrophobicContact CD1-CG1 4.32Å; L1910-I2526 HydrophobicContact CD2-CG1 4.03Å; L1910-I2526 HydrophobicContact CG-CG1 4.47Å; L1914-I2526 HydrophobicContact CD1-CD1 3.9Å; L1914-I2526 HydrophobicContact CD2-CD1 3.91Å; L1914-I2526 HydrophobicContact CG-CD1 3.99Å; M2134-I2526 HydrophobicContact CE-CD1 4.14Å; M2134-I2526 HydrophobicContact CE-CG1 3.97Å; A2522-I2526 WeakPolarHBondContact O-CD1 3.37Å; A2522-I2526 VanDerWaalsContact O-CG1 3.29Å; A2522-I2526 WeakPolarHBondContact O-CG1 3.47Å; A2522-I2526 PolarHBondContact O-N 3.16Å; A2522-I2526 VanDerWaalsContact O-N 3.15Å; M2523-I2526 HydrophobicContact CE-CD1 4.26Å; M2523-I2526 PolarHBondContact O-N 3.02Å; M2523-I2526 HydrophobicContact SD-CD1 4.43Å; L2524-I2526 VanDerWaalsContact C-N 3.27Å; L2524-I2526 PolarHBondContact O-N 3.22Å; I2526-F2528 PolarHBondContact O-N 2.79Å; I2526-F2529 WeakPolarHBondContact O-CB 3.31Å; I2526-H2542 PolarHBondContact O-CE1 2.95Å; I2526-H2542 PolarHBondContact O-NE2 2.95Å; I2526-L2546 HydrophobicContact CG2-CB 4.01Å; I2526-L2546 HydrophobicContact CG2-CD1 4.24Å; I2526-L2546 HydrophobicContact CG2-CG 4.45Å
2527S94Very high89.5Confident0 Ų021.5 Ų21.50%012%0.119CC..Hα-helixtrans-69.6-35.9-176.7125.40000113.1M2523 L2524 L2546 R2547 Y2550M2523-S2527 VanDerWaalsContact O-CB 3.3Å; M2523-S2527 WeakPolarHBondContact O-CB 3.5Å; M2523-S2527 PolarHBondContact O-N 3.19Å; M2523-S2527 PolarHBondContact O-OG 2.89Å; L2524-S2527 PolarHBondContact O-N 3.08Å; L2524-S2527 PolarHBondContact O-OG 3.49Å; S2527-L2546 WeakPolarHBondContact CA-O 3.24Å; S2527-R2547 WeakPolarHBondContact O-CD 3.41Å; S2527-R2547 PolarHBondContact O-NH1 3.18Å; S2527-R2547 VanDerWaalsContact O-NH1 3.13Å; S2527-R2547 PolarHBondContact OG-O 2.76Å; S2527-Y2550 WeakPolarHBondContact OG-CB 3.33Å; S2527-Y2550 PolarHBondContact OG-N 3.16Å; S2527-Y2550 VanDerWaalsContact OG-N 3.07Å
2528F93.8Very high89Confident7 Ų719.5 Ų19.53%0.03111%0.107CC..THydrogen-bonded Turntrans-106.724.7-176.5-61.6-50.4000113.2L2400 M2404 N2500 L2504 L2524 V2525 I2526 Y2550L2400-F2528 HydrophobicContact CD1-CD1 4.1Å; L2400-F2528 HydrophobicContact CD1-CE1 4.15Å; L2400-F2528 HydrophobicContact CD2-CB 3.87Å; L2400-F2528 HydrophobicContact CD2-CD1 3.77Å; L2400-F2528 HydrophobicContact CD2-CG 3.94Å; L2400-F2528 HydrophobicContact CG-CD1 4.39Å; M2404-F2528 HydrophobicContact CG-CD2 4.36Å; M2404-F2528 HydrophobicContact CG-CE2 4.43Å; M2404-F2528 HydrophobicContact SD-CD2 3.7Å; M2404-F2528 HydrophobicContact SD-CE2 4.27Å; M2404-F2528 HydrophobicContact SD-CG 4.45Å; N2500-F2528 HydrophobicContact CB-CE1 4.31Å; L2504-F2528 HydrophobicContact CD1-CE1 4.33Å; L2504-F2528 HydrophobicContact CD1-CE2 4Å; L2504-F2528 HydrophobicContact CD1-CZ 3.73Å; L2504-F2528 HydrophobicContact CD2-CE2 4.21Å; L2504-F2528 HydrophobicContact CD2-CZ 3.9Å; L2504-F2528 HydrophobicContact CG-CE2 4.47Å; L2504-F2528 HydrophobicContact CG-CZ 4.02Å; L2524-F2528 HydrophobicContact CB-CD2 4.37Å; L2524-F2528 HydrophobicContact CD2-CD2 3.84Å; L2524-F2528 HydrophobicContact CD2-CE2 3.54Å; L2524-F2528 WeakPolarHBondContact O-CA 3.32Å; L2524-F2528 VanDerWaalsContact O-CB 3.27Å; L2524-F2528 WeakPolarHBondContact O-CB 3.38Å; L2524-F2528 PolarHBondContact O-N 3.09Å; V2525-F2528 CarbonylContact O-C 3.57Å; I2526-F2528 PolarHBondContact O-N 2.79Å; F2528-Y2550 HydrophobicContact CZ-CD1 4.47Å; F2528-Y2550 HydrophobicContact CZ-CG 4.33Å
2529F93.7Very high88.6Confident0.5 Ų0.518.1 Ų18.10%0.00210%0.097CC..  trans-48126.8176.4-168.2-102.5000111.9L1906 P2126 M2130 F2167 V2525 I2526 L2531 H2542 R2547L1906-F2529 HydrophobicContact CD1-CE1 4.24Å; L1906-F2529 HydrophobicContact CD1-CE2 3.8Å; L1906-F2529 HydrophobicContact CD1-CZ 3.48Å; L1906-F2529 VanDerWaalsContact CD1-CZ 3.45Å; L1906-F2529 HydrophobicContact CD2-CD1 4.05Å; L1906-F2529 HydrophobicContact CD2-CE1 3.51Å; L1906-F2529 HydrophobicContact CD2-CE2 4.25Å; L1906-F2529 HydrophobicContact CD2-CG 4.46Å; L1906-F2529 HydrophobicContact CD2-CZ 3.62Å; L1906-F2529 VanDerWaalsContact CD2-CZ 3.48Å; L1906-F2529 HydrophobicContact CG-CE1 4.47Å; L1906-F2529 HydrophobicContact CG-CZ 4.21Å; P2126-F2529 HydrophobicContact CB-CZ 4.43Å; M2130-F2529 HydrophobicContact CG-CE2 3.98Å; M2130-F2529 HydrophobicContact SD-CE2 4.37Å; F2167-F2529 HydrophobicContact CD1-CE2 4.22Å; F2167-F2529 HydrophobicContact CD1-CZ 4.31Å; F2167-F2529 HydrophobicContact CE1-CD2 4.19Å; F2167-F2529 AromaticContact CE1-CE1 3.88Å; F2167-F2529 HydrophobicContact CE1-CE1 3.95Å; F2167-F2529 AromaticContact CE1-CE2 3.37Å; F2167-F2529 HydrophobicContact CE1-CE2 3.37Å; F2167-F2529 VanDerWaalsContact CE1-CE2 3.45Å; F2167-F2529 AromaticContact CE1-CZ 3.23Å; F2167-F2529 HydrophobicContact CE1-CZ 3.23Å; F2167-F2529 HydrophobicContact CE2-CZ 4.4Å; F2167-F2529 AromaticContact CZ-CE1 3.71Å; F2167-F2529 HydrophobicContact CZ-CE1 3.71Å; F2167-F2529 AromaticContact CZ-CE2 3.86Å; F2167-F2529 HydrophobicContact CZ-CE2 3.95Å; F2167-F2529 AromaticContact CZ-CZ 3.28Å; F2167-F2529 HydrophobicContact CZ-CZ 3.28Å; V2525-F2529 VanDerWaalsContact O-CA 3.31Å; V2525-F2529 WeakPolarHBondContact O-CA 3.38Å; V2525-F2529 PolarHBondContact O-N 3.42Å; I2526-F2529 WeakPolarHBondContact O-CB 3.31Å; F2529-L2531 VanDerWaalsContact C-N 3.33Å; F2529-L2531 HydrophobicContact CD1-CB 4.13Å; F2529-L2531 HydrophobicContact CD1-CG 4.46Å; F2529-L2531 HydrophobicContact CE1-CB 3.94Å; F2529-L2531 HydrophobicContact CE1-CD1 3.98Å; F2529-L2531 HydrophobicContact CE1-CG 4.09Å; F2529-L2531 PolarHBondContact O-N 3.15Å; F2529-H2542 HydrophobicContact CD1-CB 4.17Å; F2529-H2542 AromaticContact CD1-CD2 3.83Å; F2529-H2542 AromaticContact CD1-ND1 3.73Å; F2529-H2542 HydrophobicContact CE1-CB 4.5Å; F2529-H2542 AromaticContact CG-CD2 3.75Å; F2529-H2542 AromaticContact CG-ND1 3.89Å; F2529-R2547 VanDerWaalsContact N-NH1 3.16Å; F2529-R2547 VanDerWaalsContact O-CZ 3.27Å; F2529-R2547 PolarHBondContact O-NH1 3.09Å; F2529-R2547 PolarHBondContact O-NH2 2.93Å; F2529-R2547 VanDerWaalsContact O-NH2 3.08Å
2530P90.1Very high88Confident8.5 Ų8.519.6 Ų19.66%0.05510%0.099CC..SBendtrans-73.1-17.9-160.424.2-34.1000115.8L2166 F2167 L2170 L2330 Q2397 L2532L2166-P2530 HydrophobicContact CD1-CB 4.14Å; L2166-P2530 HydrophobicContact CD1-CG 4.45Å; L2166-P2530 HydrophobicContact CD2-CB 3.76Å; L2166-P2530 HydrophobicContact CD2-CG 3.44Å; F2167-P2530 HydrophobicContact CD1-CG 4.15Å; F2167-P2530 HydrophobicContact CE1-CG 3.5Å; F2167-P2530 HydrophobicContact CZ-CG 4.09Å; L2170-P2530 HydrophobicContact CD1-CG 4.33Å; L2330-P2530 HydrophobicContact CD1-CB 4.03Å; L2330-P2530 HydrophobicContact CD1-CG 4.45Å; Q2397-P2530 PolarHBondContact NE2-O 2.85Å; Q2397-P2530 VanDerWaalsContact NE2-O 3.08Å; P2530-L2532 PolarHBondContact O-N 3.3Å
2531L88.3Confident87.5Confident38 Ų3822.6 Ų22.620%0.19911%0.11CC..SBendtrans-72119.4171-71.5176.5000110.4F2167 F2529 Y2541 R2547F2167-L2531 HydrophobicContact CE2-CD1 4.2Å; F2167-L2531 HydrophobicContact CE2-CD2 4.43Å; F2167-L2531 HydrophobicContact CE2-CG 4.27Å; F2167-L2531 HydrophobicContact CZ-CD1 3.98Å; F2167-L2531 HydrophobicContact CZ-CG 3.84Å; F2529-L2531 VanDerWaalsContact C-N 3.33Å; F2529-L2531 HydrophobicContact CD1-CB 4.13Å; F2529-L2531 HydrophobicContact CD1-CG 4.46Å; F2529-L2531 HydrophobicContact CE1-CB 3.94Å; F2529-L2531 HydrophobicContact CE1-CD1 3.98Å; F2529-L2531 HydrophobicContact CE1-CG 4.09Å; F2529-L2531 PolarHBondContact O-N 3.15Å; L2531-Y2541 HydrophobicContact CD1-CD1 4.14Å; L2531-Y2541 HydrophobicContact CD1-CG 4.11Å; L2531-R2547 PolarHBondContact O-NH2 3.01Å
2532L87.5Confident87.3Confident52.5 Ų52.523 Ų2328%0.27511%0.112SC..  trans-97.4143.4-175.5-60.4175.2000111.8M2496 L2497 P2530 T2534M2496-L2532 HydrophobicContact CE-CD2 4.21Å; L2497-L2532 HydrophobicContact CB-CD1 4.25Å; L2497-L2532 HydrophobicContact CB-CD2 4.33Å; L2497-L2532 HydrophobicContact CD1-CD1 3.97Å; L2497-L2532 HydrophobicContact CD1-CD2 3.99Å; L2497-L2532 HydrophobicContact CD2-CD1 4.06Å; L2497-L2532 HydrophobicContact CD2-CD2 4.33Å; P2530-L2532 PolarHBondContact O-N 3.3Å; L2532-T2534 PolarHBondContact O-N 3.09Å
2533P83.9Confident87.1Confident7.5 Ų7.523.1 Ų23.15%0.04911%0.112CC..  trans-66.2134.9176.325.8-32.8000111.8Y2492 G2493 M2496 D2538 Q2544Y2492-P2533 HydrophobicContact CD1-CB 4.06Å; Y2492-P2533 HydrophobicContact CD1-CG 3.75Å; Y2492-P2533 HydrophobicContact CE1-CB 4.16Å; Y2492-P2533 HydrophobicContact CE1-CG 3.68Å; G2493-P2533 VanDerWaalsContact CA-O 3.25Å; G2493-P2533 WeakPolarHBondContact CA-O 3.28Å; G2493-P2533 PolarHBondContact N-O 3.17Å; M2496-P2533 HydrophobicContact CE-CG 3.75Å; M2496-P2533 HydrophobicContact SD-CG 4.13Å; P2533-D2538 HydrophobicContact CB-CB 3.92Å; P2533-Q2544 HydrophobicContact CB-CG 4.48Å; P2533-Q2544 HydrophobicContact CG-CG 4.43Å
2534T78.7Confident86.8Confident89 Ų8923.2 Ų23.255%0.54611%0.113SC..SBendtrans-70.6-44.1-179.42.30000111.6L2532 D2538L2532-T2534 PolarHBondContact O-N 3.09Å; T2534-D2538 WeakPolarHBondContact CB-OD2 3.46Å; T2534-D2538 PolarHBondContact N-OD2 2.81Å; T2534-D2538 PolarHBondContact OG1-OD2 3.09Å; T2534-D2538 VanDerWaalsContact OG1-OD2 3.14Å
2535F77.2Confident86.7Confident54 Ų5423.1 Ų23.124%0.23711%0.112CC..SBendtrans-136169.3175.266.7-80.8000110.4A1674 G2537 D2538A1674-F2535 HydrophobicContact CB-CD2 3.96Å; A1674-F2535 HydrophobicContact CB-CE2 4.12Å; F2535-G2537 VanDerWaalsContact CD2-N 3.3Å; F2535-G2537 VanDerWaalsContact CE2-CA 3.49Å; F2535-G2537 PolarHBondContact O-N 3.2Å; F2535-G2537 VanDerWaalsContact O-N 3.11Å; F2535-D2538 HydrophobicContact CD1-CB 3.99Å; F2535-D2538 HydrophobicContact CD2-CB 4.49Å; F2535-D2538 HydrophobicContact CE1-CB 3.89Å; F2535-D2538 HydrophobicContact CE2-CB 4.39Å; F2535-D2538 HydrophobicContact CG-CB 4.24Å; F2535-D2538 HydrophobicContact CZ-CB 4.26Å; F2535-D2538 VanDerWaalsContact O-CB 3.29Å; F2535-D2538 WeakPolarHBondContact O-CB 3.47Å; F2535-D2538 PolarHBondContact O-N 3.3Å; F2535-D2538 VanDerWaalsContact O-N 3.15Å
2536A76.5Confident86.6Confident6 Ų623.1 Ų23.15%0.0511%0.112CC..THydrogen-bonded Turntrans-63.1-21.3-171.700000115.4W1677 P1678 Y2492 Q2544W1677-A2536 WeakPolarHBondContact CB-O 3.42Å; P1678-A2536 HydrophobicContact CG-CB 3.8Å; Y2492-A2536 HydrophobicContact CD1-CB 4.36Å; Y2492-A2536 HydrophobicContact CD2-CB 4.01Å; Y2492-A2536 HydrophobicContact CE1-CB 4.29Å; Y2492-A2536 HydrophobicContact CE2-CB 3.78Å; Y2492-A2536 HydrophobicContact CG-CB 4.35Å; A2536-Q2544 PolarHBondContact O-NE2 3.37Å
2537G75.5Confident86.4Confident1 Ų123.4 Ų23.41%0.0111%0.113CC..THydrogen-bonded Turntrans-92.9-2176.700000115F2535 N2539F2535-G2537 VanDerWaalsContact CD2-N 3.3Å; F2535-G2537 VanDerWaalsContact CE2-CA 3.49Å; F2535-G2537 PolarHBondContact O-N 3.2Å; F2535-G2537 VanDerWaalsContact O-N 3.11Å; G2537-N2539 PolarHBondContact O-N 3.04Å; G2537-N2539 PolarHBondContact O-ND2 3.01Å
2538D79.6Confident86.4Confident14 Ų1423.4 Ų23.48%0.07511%0.113CC..  trans-70.8115.8-173.5-174.7-4.7000111.4P2533 T2534 F2535 W2540 Q2544P2533-D2538 HydrophobicContact CB-CB 3.92Å; T2534-D2538 WeakPolarHBondContact CB-OD2 3.46Å; T2534-D2538 PolarHBondContact N-OD2 2.81Å; T2534-D2538 PolarHBondContact OG1-OD2 3.09Å; T2534-D2538 VanDerWaalsContact OG1-OD2 3.14Å; F2535-D2538 HydrophobicContact CD1-CB 3.99Å; F2535-D2538 HydrophobicContact CD2-CB 4.49Å; F2535-D2538 HydrophobicContact CE1-CB 3.89Å; F2535-D2538 HydrophobicContact CE2-CB 4.39Å; F2535-D2538 HydrophobicContact CG-CB 4.24Å; F2535-D2538 HydrophobicContact CZ-CB 4.26Å; F2535-D2538 VanDerWaalsContact O-CB 3.29Å; F2535-D2538 WeakPolarHBondContact O-CB 3.47Å; F2535-D2538 PolarHBondContact O-N 3.3Å; F2535-D2538 VanDerWaalsContact O-N 3.15Å; D2538-W2540 PolarHBondContact OD1-N 3.2Å; D2538-W2540 VanDerWaalsContact OD1-N 3.12Å; D2538-Q2544 VanDerWaalsContact O-CG 3.24Å; D2538-Q2544 WeakPolarHBondContact O-CG 3.45Å; D2538-Q2544 PolarHBondContact O-NE2 3.15Å
2539N82.7Confident86.5Confident7.5 Ų7.523.1 Ų23.14%0.0411%0.112CC..  trans-130.421.3174.1-69.4-92.2000111.2W1677 L1816 G2537 Y2541 Q2544W1677-N2539 WeakPolarHBondContact CZ2-ND2 3.32Å; W1677-N2539 WeakPolarHBondContact CZ2-OD1 3.49Å; W1677-N2539 PolarHBondContact NE1-ND2 2.97Å; L1816-N2539 HydrophobicContact CD2-CB 3.93Å; G2537-N2539 PolarHBondContact O-N 3.04Å; G2537-N2539 PolarHBondContact O-ND2 3.01Å; N2539-Y2541 PolarHBondContact O-N 3.22Å; N2539-Q2544 WeakPolarHBondContact OD1-CG 3.46Å; N2539-Q2544 PolarHBondContact OD1-N 3.36Å
2540W80.7Confident86.5Confident116 Ų11623.1 Ų23.144%0.43911%0.112SC..SBendtrans-64.6-47-171.4-122.6-10.5000112.5E1902 L1903 D2538E1902-W2540 PolarHBondContact OE1-NE1 3.32Å; E1902-W2540 PolarHBondContact OE2-NE1 3.03Å; L1903-W2540 WeakPolarHBondContact CB-O 3.43Å; L1903-W2540 PolarHBondContact N-O 3.34Å; L1903-W2540 VanDerWaalsContact N-O 3.13Å; D2538-W2540 PolarHBondContact OD1-N 3.2Å; D2538-W2540 VanDerWaalsContact OD1-N 3.12Å
2541Y83.9Confident86.6Confident67 Ų6723.2 Ų23.226%0.26311%0.113SC..SBendtrans-96.3-43.5179.4-69.9-83.8000112.9E1902 L1906 R2161 L2531 N2539E1902-Y2541 HydrophobicContact CB-CD1 3.81Å; E1902-Y2541 HydrophobicContact CB-CE1 4.02Å; E1902-Y2541 HydrophobicContact CG-CD1 4.17Å; E1902-Y2541 HydrophobicContact CG-CE1 3.83Å; L1906-Y2541 WeakPolarHBondContact CB-O 3.48Å; L1906-Y2541 WeakPolarHBondContact CD2-O 3.42Å; R2161-Y2541 PolarHBondContact NH1-OH 3.27Å; R2161-Y2541 VanDerWaalsContact NH1-OH 3.08Å; L2531-Y2541 HydrophobicContact CD1-CD1 4.14Å; L2531-Y2541 HydrophobicContact CD1-CG 4.11Å; N2539-Y2541 PolarHBondContact O-N 3.22Å
2542H90.5Very high86.8Confident9.5 Ų9.523.1 Ų23.14%0.04411%0.113CC..SBendtrans-133.9129-170179.3-180000111.2L1906 I2526 F2529 Q2544 R2547L1906-H2542 HydrophobicContact CD2-CB 4Å; I2526-H2542 PolarHBondContact O-CE1 2.95Å; I2526-H2542 PolarHBondContact O-NE2 2.95Å; F2529-H2542 HydrophobicContact CD1-CB 4.17Å; F2529-H2542 AromaticContact CD1-CD2 3.83Å; F2529-H2542 AromaticContact CD1-ND1 3.73Å; F2529-H2542 HydrophobicContact CE1-CB 4.5Å; F2529-H2542 AromaticContact CG-CD2 3.75Å; F2529-H2542 AromaticContact CG-ND1 3.89Å; H2542-Q2544 PolarHBondContact O-N 3.02Å; H2542-Q2544 PolarHBondContact O-NE2 3.12Å; H2542-R2547 PolarHBondContact CD2-NE 2.65Å; H2542-R2547 VanDerWaalsContact CD2-NE 3.32Å; H2542-R2547 PolarHBondContact CE1-NE 2.93Å; H2542-R2547 VanDerWaalsContact CE1-NE 3.33Å; H2542-R2547 PolarHBondContact ND1-NE 3.49Å; H2542-R2547 PolarHBondContact NE2-NE 2.83Å
2543L91Very high87Confident2 Ų220.7 Ų20.71%0.0110%0.101CC..  trans-66.5115.3179.3-178.462.7000111W1677 M1771 L1775 L1816 A1820 L1903 A2545 L2546W1677-L2543 HydrophobicContact CH2-CD1 4.32Å; M1771-L2543 HydrophobicContact SD-CD1 3.92Å; L1775-L2543 HydrophobicContact CD1-CD2 4.12Å; L1816-L2543 HydrophobicContact CD1-CD1 3.24Å; L1816-L2543 HydrophobicContact CD2-CD1 3.7Å; L1816-L2543 HydrophobicContact CG-CD1 4.27Å; A1820-L2543 HydrophobicContact CB-CD2 4.23Å; L1903-L2543 HydrophobicContact CD1-CB 3.92Å; L2543-A2545 HydrophobicContact CD2-CB 4.28Å; L2543-A2545 HydrophobicContact CG-CB 4.14Å; L2543-A2545 PolarHBondContact O-N 3.2Å; L2543-A2545 VanDerWaalsContact O-N 3.11Å; L2543-L2546 HydrophobicContact CB-CD1 3.99Å; L2543-L2546 HydrophobicContact CB-CG 3.93Å; L2543-L2546 HydrophobicContact CD2-CD1 4.4Å; L2543-L2546 HydrophobicContact CD2-CD2 4.33Å; L2543-L2546 HydrophobicContact CD2-CG 4.12Å; L2543-L2546 HydrophobicContact CG-CG 4.23Å; L2543-L2546 VanDerWaalsContact O-CB 3.3Å; L2543-L2546 WeakPolarHBondContact O-CB 3.33Å; L2543-L2546 WeakPolarHBondContact O-CG 3.44Å; L2543-L2546 PolarHBondContact O-N 3.33Å
2544Q89.3Confident87.4Confident2.5 Ų2.521.7 Ų21.71%0.01211%0.106CC..G310 helixtrans-61.7-23.8-174.7-70.3-112.517.100113.8W1677 H1681 Y2492 P2533 A2536 D2538 N2539 H2542 L2546 R2547W1677-Q2544 HydrophobicContact CD2-CB 4.29Å; W1677-Q2544 HydrophobicContact CE3-CB 3.8Å; W1677-Q2544 HydrophobicContact CH2-CB 4.15Å; W1677-Q2544 HydrophobicContact CZ3-CB 3.73Å; H1681-Q2544 PolarHBondContact CE1-O 3.13Å; Y2492-Q2544 VanDerWaalsContact CE1-OE1 3.3Å; Y2492-Q2544 PolarHBondContact OH-OE1 2.77Å; P2533-Q2544 HydrophobicContact CB-CG 4.48Å; P2533-Q2544 HydrophobicContact CG-CG 4.43Å; A2536-Q2544 PolarHBondContact O-NE2 3.37Å; D2538-Q2544 VanDerWaalsContact O-CG 3.24Å; D2538-Q2544 WeakPolarHBondContact O-CG 3.45Å; D2538-Q2544 PolarHBondContact O-NE2 3.15Å; N2539-Q2544 WeakPolarHBondContact OD1-CG 3.46Å; N2539-Q2544 PolarHBondContact OD1-N 3.36Å; H2542-Q2544 PolarHBondContact O-N 3.02Å; H2542-Q2544 PolarHBondContact O-NE2 3.12Å; Q2544-L2546 VanDerWaalsContact C-N 3.26Å; Q2544-L2546 PolarHBondContact O-N 2.9Å; Q2544-R2547 VanDerWaalsContact O-CB 3.26Å; Q2544-R2547 WeakPolarHBondContact O-CB 3.4Å; Q2544-R2547 VanDerWaalsContact O-CG 3.3Å; Q2544-R2547 WeakPolarHBondContact O-CG 3.44Å; Q2544-R2547 PolarHBondContact O-N 3.17Å
2545A91.8Very high87.9Confident0 Ų019.7 Ų19.70%09%0.092CC..G310 helixtrans-61.5-29.9173.300000113.1W1677 F1680 L1742 M1771 L1775 L2543 R2547 H2548W1677-A2545 HydrophobicContact CH2-CB 4.31Å; W1677-A2545 HydrophobicContact CZ3-CB 4.22Å; F1680-A2545 HydrophobicContact CE1-CB 4.18Å; F1680-A2545 HydrophobicContact CZ-CB 4.42Å; L1742-A2545 HydrophobicContact CD2-CB 4.03Å; M1771-A2545 HydrophobicContact CE-CB 3.82Å; M1771-A2545 HydrophobicContact SD-CB 3.74Å; L1775-A2545 HydrophobicContact CD1-CB 3.89Å; L2543-A2545 HydrophobicContact CD2-CB 4.28Å; L2543-A2545 HydrophobicContact CG-CB 4.14Å; L2543-A2545 PolarHBondContact O-N 3.2Å; L2543-A2545 VanDerWaalsContact O-N 3.11Å; A2545-R2547 PolarHBondContact O-N 3.15Å; A2545-H2548 PolarHBondContact O-N 3.1Å
2546L94.1Very high88.4Confident2.5 Ų2.518.2 Ų18.21%0.0139%0.088CC..G310 helixtrans-68.8-17.4-179.9-57.8-176.9000112.8L1775 F1823 L1910 I2526 S2527 L2543 Q2544 H2548 F2549L1775-L2546 HydrophobicContact CD1-CD2 4.33Å; L1775-L2546 HydrophobicContact CD2-CD2 4.43Å; F1823-L2546 HydrophobicContact CD1-CD1 4.45Å; F1823-L2546 HydrophobicContact CD1-CD2 3.37Å; F1823-L2546 HydrophobicContact CD2-CD1 4Å; F1823-L2546 HydrophobicContact CD2-CD2 4.35Å; F1823-L2546 HydrophobicContact CE1-CD2 3.4Å; F1823-L2546 VanDerWaalsContact CE1-CD2 3.43Å; F1823-L2546 HydrophobicContact CE2-CD1 4.2Å; F1823-L2546 HydrophobicContact CE2-CD2 4.39Å; F1823-L2546 HydrophobicContact CG-CD1 4.13Å; F1823-L2546 HydrophobicContact CG-CD2 3.87Å; F1823-L2546 HydrophobicContact CZ-CD1 4.41Å; F1823-L2546 HydrophobicContact CZ-CD2 3.95Å; L1910-L2546 HydrophobicContact CD1-CD1 4.46Å; I2526-L2546 HydrophobicContact CG2-CB 4.01Å; I2526-L2546 HydrophobicContact CG2-CD1 4.24Å; I2526-L2546 HydrophobicContact CG2-CG 4.45Å; S2527-L2546 WeakPolarHBondContact CA-O 3.24Å; L2543-L2546 HydrophobicContact CB-CD1 3.99Å; L2543-L2546 HydrophobicContact CB-CG 3.93Å; L2543-L2546 HydrophobicContact CD2-CD1 4.4Å; L2543-L2546 HydrophobicContact CD2-CD2 4.33Å; L2543-L2546 HydrophobicContact CD2-CG 4.12Å; L2543-L2546 HydrophobicContact CG-CG 4.23Å; L2543-L2546 VanDerWaalsContact O-CB 3.3Å; L2543-L2546 WeakPolarHBondContact O-CB 3.33Å; L2543-L2546 WeakPolarHBondContact O-CG 3.44Å; L2543-L2546 PolarHBondContact O-N 3.33Å; Q2544-L2546 VanDerWaalsContact C-N 3.26Å; Q2544-L2546 PolarHBondContact O-N 2.9Å; L2546-H2548 PolarHBondContact O-N 2.98Å; L2546-H2548 VanDerWaalsContact O-N 3.1Å; L2546-F2549 HydrophobicContact CB-CD2 4.47Å; L2546-F2549 HydrophobicContact CD2-CD2 4.13Å; L2546-F2549 HydrophobicContact CD2-CE1 4.37Å; L2546-F2549 HydrophobicContact CD2-CE2 3.86Å; L2546-F2549 HydrophobicContact CD2-CZ 4.18Å; L2546-F2549 VanDerWaalsContact O-CB 3.28Å; L2546-F2549 WeakPolarHBondContact O-CB 3.37Å; L2546-F2549 WeakPolarHBondContact O-CD2 3.17Å; L2546-F2549 PolarHBondContact O-N 3.23Å; L2546-F2549 VanDerWaalsContact O-N 3.08Å
2547R92.7Very high88.9Confident6.5 Ų6.518.5 Ų18.53%0.0259%0.088CC..G310 helixtrans-62.1-15.6175.2-59.8-58-173.9174.9-2.8114.2M2496 S2527 F2529 L2531 H2542 Q2544 A2545 Y2550M2496-R2547 HydrophobicContact SD-CG 4.43Å; S2527-R2547 WeakPolarHBondContact O-CD 3.41Å; S2527-R2547 PolarHBondContact O-NH1 3.18Å; S2527-R2547 VanDerWaalsContact O-NH1 3.13Å; S2527-R2547 PolarHBondContact OG-O 2.76Å; F2529-R2547 VanDerWaalsContact N-NH1 3.16Å; F2529-R2547 VanDerWaalsContact O-CZ 3.27Å; F2529-R2547 PolarHBondContact O-NH1 3.09Å; F2529-R2547 PolarHBondContact O-NH2 2.93Å; F2529-R2547 VanDerWaalsContact O-NH2 3.08Å; L2531-R2547 PolarHBondContact O-NH2 3.01Å; H2542-R2547 PolarHBondContact CD2-NE 2.65Å; H2542-R2547 VanDerWaalsContact CD2-NE 3.32Å; H2542-R2547 PolarHBondContact CE1-NE 2.93Å; H2542-R2547 VanDerWaalsContact CE1-NE 3.33Å; H2542-R2547 PolarHBondContact ND1-NE 3.49Å; H2542-R2547 PolarHBondContact NE2-NE 2.83Å; Q2544-R2547 VanDerWaalsContact O-CB 3.26Å; Q2544-R2547 WeakPolarHBondContact O-CB 3.4Å; Q2544-R2547 VanDerWaalsContact O-CG 3.3Å; Q2544-R2547 WeakPolarHBondContact O-CG 3.44Å; Q2544-R2547 PolarHBondContact O-N 3.17Å; A2545-R2547 PolarHBondContact O-N 3.15Å; R2547-Y2550 VanDerWaalsContact O-CD1 3.25Å; R2547-Y2550 WeakPolarHBondContact O-CD1 3.42Å
2548H93.9Very high89.3Confident0.5 Ų0.521.1 Ų21.10%0.00210%0.097CC..G310 helixtrans-91.3-4.8176.6-64-74000114.1H1681 V1684 L1688 L1746 A2545 L2546 Y2550 A2551H1681-H2548 AromaticContact CE1-NE2 3.68Å; H1681-H2548 AromaticContact CG-NE2 3.64Å; H1681-H2548 AromaticContact ND1-CD2 3.75Å; H1681-H2548 AromaticContact ND1-CE1 3.99Å; H1681-H2548 AromaticContact ND1-NE2 2.93Å; H1681-H2548 PolarHBondContact ND1-NE2 3.28Å; V1684-H2548 HydrophobicContact CG1-CB 3.88Å; V1684-H2548 VanDerWaalsContact CG1-CG 3.41Å; V1684-H2548 WeakPolarHBondContact CG1-ND1 3.27Å; L1688-H2548 HydrophobicContact CD1-CB 4.41Å; L1746-H2548 HydrophobicContact CD1-CB 3.69Å; A2545-H2548 PolarHBondContact O-N 3.1Å; L2546-H2548 PolarHBondContact O-N 2.98Å; L2546-H2548 VanDerWaalsContact O-N 3.1Å; H2548-Y2550 PolarHBondContact O-N 3.21Å; H2548-Y2550 VanDerWaalsContact O-N 3.14Å; H2548-A2551 WeakPolarHBondContact O-CB 3.3Å; H2548-A2551 PolarHBondContact O-N 2.82Å; H2548-A2551 VanDerWaalsContact O-N 3.14Å
2549F94.2Very high89.6Confident0 Ų020.5 Ų20.50%09%0.094CC..G310 helixtrans-74.4-7.1-172.7-80.9-114.7000114L1746 L1775 F1823 L1827 M2523 L2546 A2551 L2552L1746-F2549 HydrophobicContact CD2-CD2 4.16Å; L1746-F2549 HydrophobicContact CD2-CE1 4.27Å; L1746-F2549 HydrophobicContact CD2-CE2 3.94Å; L1746-F2549 HydrophobicContact CD2-CG 4.49Å; L1746-F2549 HydrophobicContact CD2-CZ 3.99Å; L1775-F2549 HydrophobicContact CB-CZ 4.24Å; L1775-F2549 HydrophobicContact CD1-CZ 4.46Å; L1775-F2549 HydrophobicContact CD2-CZ 4.27Å; F1823-F2549 HydrophobicContact CD1-CE1 4.41Å; F1823-F2549 AromaticContact CE1-CD1 3.88Å; F1823-F2549 HydrophobicContact CE1-CD1 4Å; F1823-F2549 AromaticContact CE1-CE1 3.7Å; F1823-F2549 HydrophobicContact CE1-CE1 3.7Å; F1823-F2549 VanDerWaalsContact CE1-CE1 3.49Å; F1823-F2549 HydrophobicContact CE1-CZ 4.11Å; F1823-F2549 HydrophobicContact CZ-CD1 4.23Å; F1823-F2549 HydrophobicContact CZ-CE1 4.27Å; L1827-F2549 HydrophobicContact CD1-CE1 3.62Å; L1827-F2549 HydrophobicContact CD1-CZ 4.21Å; L1827-F2549 HydrophobicContact CD2-CD1 4.41Å; L1827-F2549 HydrophobicContact CD2-CE1 4.12Å; L1827-F2549 HydrophobicContact CG-CE1 4.41Å; M2523-F2549 HydrophobicContact CE-CB 3.87Å; M2523-F2549 HydrophobicContact CE-CD1 3.5Å; M2523-F2549 VanDerWaalsContact CE-CD1 3.42Å; M2523-F2549 HydrophobicContact CE-CE1 4.35Å; M2523-F2549 HydrophobicContact CE-CG 4.16Å; L2546-F2549 HydrophobicContact CB-CD2 4.47Å; L2546-F2549 HydrophobicContact CD2-CD2 4.13Å; L2546-F2549 HydrophobicContact CD2-CE1 4.37Å; L2546-F2549 HydrophobicContact CD2-CE2 3.86Å; L2546-F2549 HydrophobicContact CD2-CZ 4.18Å; L2546-F2549 VanDerWaalsContact O-CB 3.28Å; L2546-F2549 WeakPolarHBondContact O-CB 3.37Å; L2546-F2549 WeakPolarHBondContact O-CD2 3.17Å; L2546-F2549 PolarHBondContact O-N 3.23Å; L2546-F2549 VanDerWaalsContact O-N 3.08Å; F2549-A2551 PolarHBondContact O-N 3.21Å; F2549-A2551 VanDerWaalsContact O-N 3.11Å; F2549-L2552 HydrophobicContact CD1-CD1 3.81Å; F2549-L2552 HydrophobicContact CE1-CD1 4.11Å; F2549-L2552 WeakPolarHBondContact O-CB 3.4Å; F2549-L2552 PolarHBondContact O-N 3.26Å; F2549-L2552 VanDerWaalsContact O-N 3.13Å
2550Y94.3Very high89.8Confident0.5 Ų0.520.4 Ų20.40%0.0029%0.094CC..G310 helixtrans-52.8-28.6164.470.9-94.8000111.6L1688 L2507 S2527 F2528 R2547 H2548 L2552 A2553 T2554L1688-Y2550 WeakPolarHBondContact CD1-OH 3.44Å; L2507-Y2550 HydrophobicContact CD1-CD2 4.32Å; L2507-Y2550 HydrophobicContact CD1-CE2 4.26Å; S2527-Y2550 WeakPolarHBondContact OG-CB 3.33Å; S2527-Y2550 PolarHBondContact OG-N 3.16Å; S2527-Y2550 VanDerWaalsContact OG-N 3.07Å; F2528-Y2550 HydrophobicContact CZ-CD1 4.47Å; F2528-Y2550 HydrophobicContact CZ-CG 4.33Å; R2547-Y2550 VanDerWaalsContact O-CD1 3.25Å; R2547-Y2550 WeakPolarHBondContact O-CD1 3.42Å; H2548-Y2550 PolarHBondContact O-N 3.21Å; H2548-Y2550 VanDerWaalsContact O-N 3.14Å; Y2550-L2552 PolarHBondContact O-N 3.28Å; Y2550-A2553 CarbonylContact O-C 3.43Å; Y2550-A2553 WeakPolarHBondContact O-CA 3.47Å; Y2550-A2553 WeakPolarHBondContact O-CB 3.41Å; Y2550-A2553 PolarHBondContact O-N 3.17Å; Y2550-T2554 HydrophobicContact CD2-CG2 4.26Å; Y2550-T2554 VanDerWaalsContact O-CG2 3.29Å; Y2550-T2554 WeakPolarHBondContact O-CG2 3.42Å; Y2550-T2554 PolarHBondContact O-N 2.95Å
2551A92.6Very high90.3Very high10 Ų1014.9 Ų14.98%0.0837%0.073CC..G310 helixtrans-55.1-37.4179.100000111.7L1688 H2548 F2549 A2553 T2554L1688-A2551 HydrophobicContact CD2-CB 3.86Å; H2548-A2551 WeakPolarHBondContact O-CB 3.3Å; H2548-A2551 PolarHBondContact O-N 2.82Å; H2548-A2551 VanDerWaalsContact O-N 3.14Å; F2549-A2551 PolarHBondContact O-N 3.21Å; F2549-A2551 VanDerWaalsContact O-N 3.11Å; A2551-A2553 VanDerWaalsContact C-N 3.28Å; A2551-A2553 PolarHBondContact O-N 3.03Å; A2551-T2554 PolarHBondContact O-N 3.04Å; A2551-T2554 PolarHBondContact O-OG1 3.05Å
2552L92.4Very high90.5Very high36.5 Ų36.512 Ų1219%0.1916%0.062CC..G310 helixtrans-77.6-3.7178.9-58.3178.8000114.1L1746 A1779 M2523 F2549 Y2550L1746-L2552 HydrophobicContact CD2-CD1 4.08Å; L1746-L2552 HydrophobicContact CD2-CG 4.24Å; L1746-L2552 WeakPolarHBondContact O-CD2 3.45Å; A1779-L2552 HydrophobicContact CB-CD1 4.04Å; M2523-L2552 HydrophobicContact CE-CB 4.17Å; M2523-L2552 HydrophobicContact CE-CD1 3.94Å; M2523-L2552 HydrophobicContact CE-CG 4.47Å; M2523-L2552 HydrophobicContact CG-CB 4.31Å; F2549-L2552 HydrophobicContact CD1-CD1 3.81Å; F2549-L2552 HydrophobicContact CE1-CD1 4.11Å; F2549-L2552 WeakPolarHBondContact O-CB 3.4Å; F2549-L2552 PolarHBondContact O-N 3.26Å; F2549-L2552 VanDerWaalsContact O-N 3.13Å; Y2550-L2552 PolarHBondContact O-N 3.28Å
2553A92.6Very high90.5Very high2.5 Ų2.511.7 Ų11.72%0.0216%0.061CC..G310 helixtrans-108.76.1174.600000112.6A2515 A2520 M2523 L2524 Y2550 A2551A2515-A2553 WeakPolarHBondContact CB-O 3.44Å; A2515-A2553 PolarHBondContact N-O 3.21Å; A2520-A2553 HydrophobicContact CB-CB 3.82Å; M2523-A2553 HydrophobicContact CB-CB 4.17Å; L2524-A2553 HydrophobicContact CD1-CB 4.37Å; L2524-A2553 HydrophobicContact CD2-CB 4.03Å; L2524-A2553 HydrophobicContact CG-CB 3.82Å; Y2550-A2553 CarbonylContact O-C 3.43Å; Y2550-A2553 WeakPolarHBondContact O-CA 3.47Å; Y2550-A2553 WeakPolarHBondContact O-CB 3.41Å; Y2550-A2553 PolarHBondContact O-N 3.17Å; A2551-A2553 VanDerWaalsContact C-N 3.28Å; A2551-A2553 PolarHBondContact O-N 3.03Å
2554T91.3Very high90.4Very high28 Ų2815.3 Ų15.317%0.1728%0.083CC..EExtended strand (participates in β ladder)trans-91.6143.1-178.666.60000112.4L2507 L2512 T2513 L2514 Y2550 A2551L2507-T2554 HydrophobicContact CD1-CG2 4.22Å; L2507-T2554 HydrophobicContact CD2-CG2 3.84Å; L2507-T2554 HydrophobicContact CG-CG2 4.38Å; L2512-T2554 HydrophobicContact CD1-CG2 4.27Å; T2513-T2554 CarbonylContact O-C 3.58Å; T2513-T2554 VanDerWaalsContact O-CA 3.32Å; T2513-T2554 WeakPolarHBondContact O-CA 3.36Å; L2514-T2554 HydrophobicContact CD2-CG2 4.37Å; Y2550-T2554 HydrophobicContact CD2-CG2 4.26Å; Y2550-T2554 VanDerWaalsContact O-CG2 3.29Å; Y2550-T2554 WeakPolarHBondContact O-CG2 3.42Å; Y2550-T2554 PolarHBondContact O-N 2.95Å; A2551-T2554 PolarHBondContact O-N 3.04Å; A2551-T2554 PolarHBondContact O-OG1 3.05Å
2555I89.4Confident90.3Very high46.5 Ų46.520 Ų2024%0.23811%0.108CC..EExtended strand (participates in β ladder)trans-135.5142.9176.2-69.4-177.6000108.9L2512 T2513 A2515 R2557L2512-I2555 WeakPolarHBondContact CA-O 3.22Å; T2513-I2555 PolarHBondContact N-O 3.08Å; T2513-I2555 PolarHBondContact O-N 3.31Å; A2515-I2555 HydrophobicContact CB-CD1 3.44Å; A2515-I2555 HydrophobicContact CB-CG1 3.86Å; I2555-R2557 HydrophobicContact CG2-CG 4.19Å; I2555-R2557 PolarHBondContact O-N 3.24Å
2556P88.5Confident90.1Very high24 Ų2423.7 Ų23.716%0.15613%0.131CC..EExtended strand (participates in β ladder)trans-63.7128.617026.4-34000111L2512 F2632 Y2633L2512-P2556 HydrophobicContact CD2-CB 4.3Å; P2556-F2632 WeakPolarHBondContact O-CZ 3.07Å; P2556-Y2633 HydrophobicContact CG-CD1 4.15Å
2557R86.4Confident89.8Confident11.5 Ų11.525.1 Ų25.14%0.04315%0.146CC..  trans-115.2-14.9178.3-130.6175.1-164.4166.76.5114.2G2338 S2340 A2407 R2511 T2513 L2514 I2555 V2592 F2593 D2596G2338-R2557 PolarHBondContact O-NH1 3.13Å; S2340-R2557 VanDerWaalsContact OG-CZ 3.24Å; S2340-R2557 PolarHBondContact OG-NH1 3.05Å; S2340-R2557 PolarHBondContact OG-NH2 3.27Å; A2407-R2557 PolarHBondContact O-NH1 3.21Å; R2511-R2557 PolarHBondContact O-N 2.9Å; T2513-R2557 HydrophobicContact CG2-CB 3.86Å; T2513-R2557 HydrophobicContact CG2-CG 4.34Å; T2513-R2557 WeakPolarHBondContact OG1-CD 3.35Å; T2513-R2557 VanDerWaalsContact OG1-CG 3.29Å; T2513-R2557 WeakPolarHBondContact OG1-CG 3.26Å; T2513-R2557 PolarHBondContact OG1-NE 3.44Å; L2514-R2557 PolarHBondContact O-NH2 3.44Å; I2555-R2557 HydrophobicContact CG2-CG 4.19Å; I2555-R2557 PolarHBondContact O-N 3.24Å; R2557-V2592 HydrophobicContact CB-CG1 4.29Å; R2557-V2592 HydrophobicContact CG-CG1 3.85Å; R2557-V2592 WeakPolarHBondContact O-CA 3.44Å; R2557-F2593 HydrophobicContact CB-CB 4.36Å; R2557-F2593 WeakPolarHBondContact CD-O 3.5Å; R2557-F2593 VanDerWaalsContact CG-O 3.24Å; R2557-F2593 WeakPolarHBondContact CG-O 3.32Å; R2557-F2593 PolarHBondContact NE-O 2.81Å; R2557-F2593 PolarHBondContact NH1-O 3.16Å; R2557-F2593 WeakPolarHBondContact O-CD2 3.39Å; R2557-F2593 PolarHBondContact O-N 2.91Å; R2557-F2593 VanDerWaalsContact O-N 3.15Å; R2557-D2596 IonicContact CZ-OD1 3.88Å; R2557-D2596 IonicContact CZ-OD2 2.8Å; R2557-D2596 IonicContact NH2-OD1 2.98Å; R2557-D2596 PolarHBondContact NH2-OD1 3.22Å; R2557-D2596 IonicContact NH2-OD2 3.26Å; R2557-D2596 PolarHBondContact NH2-OD2 2.91Å
2558R84.1Confident89.6Confident56 Ų5631.7 Ų31.721%0.21117%0.171CC..BIsolated β-bridgetrans-102.4138.6-174.9-118.2179.9177.2-135.80.3112.4G2510 R2511 C2560 T2590 F2591 V2592G2510-R2558 WeakPolarHBondContact O-CB 3.26Å; G2510-R2558 WeakPolarHBondContact O-CD 3.44Å; G2510-R2558 PolarHBondContact O-NE 3.27Å; R2511-R2558 PolarHBondContact O-N 2.8Å; R2558-C2560 PolarHBondContact NE-SG 3.31Å; R2558-C2560 VanDerWaalsContact NE-SG 3.39Å; R2558-T2590 PolarHBondContact NH1-OG1 3.44Å; R2558-F2591 CarbonylContact C-O 3.58Å; R2558-F2591 WeakPolarHBondContact CA-O 3.28Å; R2558-V2592 HydrophobicContact CB-CG2 4.32Å; R2558-V2592 HydrophobicContact CG-CG2 4.33Å
2559V85.8Confident89.3Confident1 Ų133.7 Ų33.71%0.00618%0.183CC..  trans-112.3139.7166-1780000108.4F2574 T2590 F2591 F2593 F2628 F2632 G2636 I2638V2559-F2574 HydrophobicContact CB-CE1 4.36Å; V2559-F2574 HydrophobicContact CB-CZ 4.45Å; V2559-F2574 HydrophobicContact CG1-CE1 3.61Å; V2559-F2574 HydrophobicContact CG1-CZ 3.84Å; V2559-T2590 WeakPolarHBondContact O-CB 3.21Å; V2559-F2591 HydrophobicContact CB-CB 4.03Å; V2559-F2591 HydrophobicContact CB-CD2 3.91Å; V2559-F2591 HydrophobicContact CB-CG 4.13Å; V2559-F2591 HydrophobicContact CG1-CD2 4.12Å; V2559-F2591 PolarHBondContact N-O 3.22Å; V2559-F2591 VanDerWaalsContact N-O 3.13Å; V2559-F2591 WeakPolarHBondContact O-CB 3.43Å; V2559-F2591 VanDerWaalsContact O-CD2 3.28Å; V2559-F2591 WeakPolarHBondContact O-CD2 3.41Å; V2559-F2591 PolarHBondContact O-N 3.04Å; V2559-F2593 HydrophobicContact CG2-CD2 4.41Å; V2559-F2593 HydrophobicContact CG2-CE2 3.7Å; V2559-F2593 VanDerWaalsContact CG2-CE2 3.48Å; V2559-F2593 HydrophobicContact CG2-CZ 4Å; V2559-F2628 HydrophobicContact CG2-CZ 4.43Å; V2559-F2632 HydrophobicContact CG2-CD2 3.96Å; V2559-F2632 HydrophobicContact CG2-CE2 4.08Å; V2559-G2636 WeakPolarHBondContact CA-O 3.35Å; V2559-I2638 HydrophobicContact CG1-CD1 3.44Å; V2559-I2638 VanDerWaalsContact CG1-CD1 3.44Å; V2559-I2638 HydrophobicContact CG1-CG1 3.89Å
2560C87.4Confident89Confident5 Ų535 Ų353%0.03419%0.191CC..EExtended strand (participates in β ladder)trans-120.1134.3171-69.10000110R2558 V2569 G2636 Y2637 I2638R2558-C2560 PolarHBondContact NE-SG 3.31Å; R2558-C2560 VanDerWaalsContact NE-SG 3.39Å; C2560-V2569 HydrophobicContact CB-CG1 3.94Å; C2560-V2569 HydrophobicContact CB-CG2 4.34Å; C2560-G2636 PolarHBondContact N-O 3.29Å; C2560-Y2637 HydrophobicContact CB-CD1 3.9Å; C2560-Y2637 HydrophobicContact CB-CE1 4.14Å; C2560-Y2637 WeakPolarHBondContact O-CA 3.39Å; C2560-I2638 PolarHBondContact O-N 3.05Å
2561A89.2Confident88.6Confident1 Ų138.9 Ų38.91%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-70.8139.4165.100000109.5V2569 V2570 S2572 F2591 I2638 V2640A2561-V2569 WeakPolarHBondContact O-CA 3.43Å; A2561-V2570 PolarHBondContact O-N 3.34Å; A2561-S2572 WeakPolarHBondContact CB-OG 3.38Å; A2561-F2591 HydrophobicContact CB-CE2 4.12Å; A2561-I2638 CarbonylContact C-O 3.46Å; A2561-I2638 WeakPolarHBondContact CA-O 3.43Å; A2561-V2640 HydrophobicContact CB-CG2 3.81Å
2562V89.8Confident88.2Confident6.5 Ų6.538.6 Ų38.64%0.03921%0.209CC..EExtended strand (participates in β ladder)trans-122.5124.4172.7-179.60000106.6V2564 G2567 R2568 V2569 Y2637 I2638 F2639 V2640V2562-V2564 PolarHBondContact O-N 2.91Å; V2562-G2567 WeakPolarHBondContact CG1-O 3.12Å; V2562-R2568 CarbonylContact C-O 3.6Å; V2562-R2568 VanDerWaalsContact CA-O 3.3Å; V2562-R2568 WeakPolarHBondContact CA-O 3.39Å; V2562-V2569 HydrophobicContact CG2-CG2 4.19Å; V2562-Y2637 HydrophobicContact CG2-CD1 3.56Å; V2562-Y2637 HydrophobicContact CG2-CE1 4.45Å; V2562-Y2637 HydrophobicContact CG2-CG 3.98Å; V2562-I2638 PolarHBondContact N-O 3.34Å; V2562-F2639 HydrophobicContact CB-CD1 4.06Å; V2562-F2639 HydrophobicContact CB-CE1 4.13Å; V2562-F2639 HydrophobicContact CG1-CD1 3.97Å; V2562-F2639 HydrophobicContact CG1-CE1 3.72Å; V2562-F2639 CarbonylContact O-C 3.57Å; V2562-F2639 WeakPolarHBondContact O-CA 3.32Å; V2562-V2640 PolarHBondContact O-N 3.41Å
2563D89.9Confident87.9Confident2.5 Ų2.540.2 Ų40.21%0.01322%0.217CC..EExtended strand (participates in β ladder)trans-66.4130.6173.7170.342000110.1D2565 T2566 G2567 R2568 V2570 V2640D2563-D2565 VanDerWaalsContact C-N 3.3Å; D2563-D2565 PolarHBondContact O-N 3.14Å; D2563-D2565 PolarHBondContact OD1-N 2.78Å; D2563-T2566 WeakPolarHBondContact CB-OG1 3.37Å; D2563-T2566 VanDerWaalsContact OD2-CB 3.23Å; D2563-T2566 WeakPolarHBondContact OD2-CB 3.36Å; D2563-T2566 VanDerWaalsContact OD2-CG2 3.29Å; D2563-T2566 WeakPolarHBondContact OD2-CG2 3.35Å; D2563-T2566 PolarHBondContact OD2-N 3.15Å; D2563-T2566 PolarHBondContact OD2-OG1 3.19Å; D2563-G2567 WeakPolarHBondContact O-CA 3.32Å; D2563-G2567 PolarHBondContact O-N 3.25Å; D2563-R2568 PolarHBondContact N-O 3.44Å; D2563-V2570 HydrophobicContact CB-CG2 3.75Å; D2563-V2640 CarbonylContact C-O 3.39Å; D2563-V2640 VanDerWaalsContact CA-O 3.32Å; D2563-V2640 WeakPolarHBondContact CA-O 3.27Å
2564V88.9Confident87.7Confident78 Ų7840.2 Ų40.247%0.47322%0.217SC..THydrogen-bonded Turntrans-60.6-41.5-177.5170.30000111.1V2562 F2639 V2640V2562-V2564 PolarHBondContact O-N 2.91Å; V2564-F2639 HydrophobicContact CG2-CB 3.85Å; V2564-F2639 HydrophobicContact CG2-CD1 4.4Å; V2564-V2640 WeakPolarHBondContact CG2-O 3.15Å; V2564-V2640 PolarHBondContact N-O 3.44Å
2565D87.9Confident87.5Confident100.5 Ų100.540.5 Ų40.554%0.53722%0.216SC..THydrogen-bonded Turntrans-84.9-39-167.3-59.6-52.2000111.9D2563 K2641D2563-D2565 VanDerWaalsContact C-N 3.3Å; D2563-D2565 PolarHBondContact O-N 3.14Å; D2563-D2565 PolarHBondContact OD1-N 2.78Å; D2565-K2641 VanDerWaalsContact OD2-CE 3.28Å; D2565-K2641 WeakPolarHBondContact OD2-CE 3.27Å; D2565-K2641 VanDerWaalsContact OD2-CG 3.26Å; D2565-K2641 WeakPolarHBondContact OD2-CG 3.4Å
2566T87.5Confident87.3Confident78 Ų7838.4 Ų38.448%0.47921%0.206SC..THydrogen-bonded Turntrans-90.9-17.9176.464.20000114.2D2563 R2568D2563-T2566 WeakPolarHBondContact CB-OG1 3.37Å; D2563-T2566 VanDerWaalsContact OD2-CB 3.23Å; D2563-T2566 WeakPolarHBondContact OD2-CB 3.36Å; D2563-T2566 VanDerWaalsContact OD2-CG2 3.29Å; D2563-T2566 WeakPolarHBondContact OD2-CG2 3.35Å; D2563-T2566 PolarHBondContact OD2-N 3.15Å; D2563-T2566 PolarHBondContact OD2-OG1 3.19Å; T2566-R2568 PolarHBondContact O-N 3.46Å; T2566-R2568 VanDerWaalsContact O-N 3.16Å; T2566-R2568 PolarHBondContact OG1-N 3.17Å
2567G87.7Confident87.2Confident32.5 Ų32.540.1 Ų40.134%0.33521%0.211SC..  trans65.811.1-172.500000114.3V2562 D2563V2562-G2567 WeakPolarHBondContact CG1-O 3.12Å; D2563-G2567 WeakPolarHBondContact O-CA 3.32Å; D2563-G2567 PolarHBondContact O-N 3.25Å
2568R88.4Confident86.9Confident145.5 Ų145.541.3 Ų41.355%0.54922%0.218SC..  trans-92.5148.4-177.4-67.7179.1177.8-158.9-6.8111.5V2562 D2563 T2566 V2570V2562-R2568 CarbonylContact C-O 3.6Å; V2562-R2568 VanDerWaalsContact CA-O 3.3Å; V2562-R2568 WeakPolarHBondContact CA-O 3.39Å; D2563-R2568 PolarHBondContact N-O 3.44Å; T2566-R2568 PolarHBondContact O-N 3.46Å; T2566-R2568 VanDerWaalsContact O-N 3.16Å; T2566-R2568 PolarHBondContact OG1-N 3.17Å; R2568-V2570 PolarHBondContact O-N 2.73Å
2569V87.8Confident86.5Confident42.5 Ų42.544.5 Ų44.526%0.25823%0.23SC..EExtended strand (participates in β ladder)trans-66.6133.7169175.30000109.9C2560 A2561 V2562 Y2637C2560-V2569 HydrophobicContact CB-CG1 3.94Å; C2560-V2569 HydrophobicContact CB-CG2 4.34Å; A2561-V2569 WeakPolarHBondContact O-CA 3.43Å; V2562-V2569 HydrophobicContact CG2-CG2 4.19Å; V2569-Y2637 HydrophobicContact CG2-CD1 4.33Å; V2569-Y2637 HydrophobicContact CG2-CE1 3.91Å
2570V86.6Confident85.8Confident27.5 Ų27.554 Ų5417%0.16727%0.274CS..EExtended strand (participates in β ladder)trans-123.8149.5-178.6173.40000110A2561 D2563 R2568 Y2613A2561-V2570 PolarHBondContact O-N 3.34Å; D2563-V2570 HydrophobicContact CB-CG2 3.75Å; R2568-V2570 PolarHBondContact O-N 2.73Å; V2570-Y2613 HydrophobicContact CG1-CE1 4.47Å; V2570-Y2613 HydrophobicContact CG1-CE2 3.7Å
2571L86Confident84.9Confident82 Ų8255.7 Ų55.743%0.42929%0.286SS..  trans-79.7125.9172.9-54.8178.9000109.4D2589 T2590L2571-D2589 CarbonylContact C-O 3.49Å; L2571-D2589 WeakPolarHBondContact CA-O 3.08Å; L2571-D2589 HydrophobicContact CB-CB 4.32Å; L2571-D2589 HydrophobicContact CD1-CB 4.32Å; L2571-D2589 WeakPolarHBondContact CD1-OD1 3.39Å; L2571-D2589 HydrophobicContact CD2-CB 4.09Å; L2571-D2589 HydrophobicContact CG-CB 4.47Å; L2571-T2590 HydrophobicContact CD2-CG2 4.38Å
2572S84Confident84Confident3 Ų362 Ų622%0.02132%0.32CS..  trans-139.9131.5-173.154.80000110.5A2561 F2574 E2588 D2589 F2591 N2607A2561-S2572 WeakPolarHBondContact CB-OG 3.38Å; S2572-F2574 WeakPolarHBondContact O-CD2 3.23Å; S2572-F2574 VanDerWaalsContact O-CE2 3.24Å; S2572-F2574 WeakPolarHBondContact O-CE2 3.42Å; S2572-F2574 PolarHBondContact O-N 2.76Å; S2572-F2574 WeakPolarHBondContact OG-CE2 3.4Å; S2572-F2574 VanDerWaalsContact OG-CZ 3.23Å; S2572-F2574 WeakPolarHBondContact OG-CZ 3.25Å; S2572-E2588 CarbonylContact C-O 3.56Å; S2572-E2588 VanDerWaalsContact C-O 3.26Å; S2572-E2588 PolarHBondContact N-O 3.02Å; S2572-D2589 PolarHBondContact N-O 3Å; S2572-D2589 CarbonylContact O-C 3.56Å; S2572-F2591 WeakPolarHBondContact OG-CE2 3.34Å; S2572-F2591 WeakPolarHBondContact OG-CZ 3.29Å; S2572-N2607 VanDerWaalsContact CB-OD1 3.29Å; S2572-N2607 WeakPolarHBondContact CB-OD1 3.39Å
2573N87.3Confident83.3Confident69.5 Ų69.565.8 Ų65.837%0.37234%0.343SS..  trans-71.6135.2174.4-63.1-13.5000110.3S2587 E2588 D2589 I2606 N2607 H2608N2573-S2587 CarbonylContact C-O 3.26Å; N2573-S2587 WeakPolarHBondContact CA-O 3.5Å; N2573-E2588 WeakPolarHBondContact OD1-CA 3.49Å; N2573-D2589 PolarHBondContact OD1-N 3.15Å; N2573-D2589 VanDerWaalsContact OD1-N 3.08Å; N2573-I2606 CarbonylContact O-C 3.57Å; N2573-N2607 WeakPolarHBondContact O-CA 3.41Å; N2573-N2607 PolarHBondContact O-N 2.85Å; N2573-H2608 PolarHBondContact ND2-O 3.1Å
2574F87.4Confident82.7Confident4 Ų469.8 Ų69.82%0.01836%0.363CS..EExtended strand (participates in β ladder)trans-123.2147.2173.69.6-90000111.2V2559 S2572 V2585 S2586 S2587 F2591 L2604 I2606V2559-F2574 HydrophobicContact CB-CE1 4.36Å; V2559-F2574 HydrophobicContact CB-CZ 4.45Å; V2559-F2574 HydrophobicContact CG1-CE1 3.61Å; V2559-F2574 HydrophobicContact CG1-CZ 3.84Å; S2572-F2574 WeakPolarHBondContact O-CD2 3.23Å; S2572-F2574 VanDerWaalsContact O-CE2 3.24Å; S2572-F2574 WeakPolarHBondContact O-CE2 3.42Å; S2572-F2574 PolarHBondContact O-N 2.76Å; S2572-F2574 WeakPolarHBondContact OG-CE2 3.4Å; S2572-F2574 VanDerWaalsContact OG-CZ 3.23Å; S2572-F2574 WeakPolarHBondContact OG-CZ 3.25Å; F2574-V2585 HydrophobicContact CE2-CG1 4.47Å; F2574-S2586 CarbonylContact O-C 3.59Å; F2574-S2586 VanDerWaalsContact O-CA 3.25Å; F2574-S2586 WeakPolarHBondContact O-CA 3.41Å; F2574-S2587 WeakPolarHBondContact CD1-O 3.38Å; F2574-S2587 PolarHBondContact N-O 3.02Å; F2574-S2587 VanDerWaalsContact N-O 3.15Å; F2574-S2587 PolarHBondContact O-N 2.97Å; F2574-S2587 VanDerWaalsContact O-N 3.17Å; F2574-F2591 HydrophobicContact CB-CB 3.9Å; F2574-F2591 HydrophobicContact CB-CD1 3.21Å; F2574-F2591 HydrophobicContact CB-CD2 3.44Å; F2574-F2591 VanDerWaalsContact CB-CD2 3.44Å; F2574-F2591 HydrophobicContact CB-CE1 3.1Å; F2574-F2591 HydrophobicContact CB-CE2 4.16Å; F2574-F2591 HydrophobicContact CB-CG 4.16Å; F2574-F2591 HydrophobicContact CB-CZ 4.27Å; F2574-F2591 HydrophobicContact CD1-CB 4.05Å; F2574-F2591 AromaticContact CD1-CD1 3.42Å; F2574-F2591 HydrophobicContact CD1-CD1 3.42Å; F2574-F2591 VanDerWaalsContact CD1-CD1 3.42Å; F2574-F2591 HydrophobicContact CD1-CE1 4.14Å; F2574-F2591 HydrophobicContact CD1-CG 4.04Å; F2574-F2591 HydrophobicContact CD2-CB 3.86Å; F2574-F2591 HydrophobicContact CD2-CD1 4.18Å; F2574-F2591 HydrophobicContact CE1-CB 4.32Å; F2574-F2591 HydrophobicContact CE1-CD1 4.24Å; F2574-F2591 HydrophobicContact CE2-CB 4.37Å; F2574-F2591 HydrophobicContact CG-CB 3.67Å; F2574-F2591 AromaticContact CG-CD1 3.36Å; F2574-F2591 HydrophobicContact CG-CD1 3.36Å; F2574-F2591 HydrophobicContact CG-CD2 4.19Å; F2574-F2591 AromaticContact CG-CE1 3.84Å; F2574-F2591 HydrophobicContact CG-CE1 3.84Å; F2574-F2591 HydrophobicContact CG-CG 4.29Å; F2574-L2604 HydrophobicContact CD1-CD1 4.45Å; F2574-I2606 HydrophobicContact CD1-CB 4.33Å; F2574-I2606 HydrophobicContact CD1-CD1 4.44Å; F2574-I2606 HydrophobicContact CD1-CG1 3.89Å; F2574-I2606 HydrophobicContact CD1-CG2 3.93Å; F2574-I2606 HydrophobicContact CE1-CB 4.36Å; F2574-I2606 HydrophobicContact CE1-CD1 3.97Å; F2574-I2606 HydrophobicContact CE1-CG1 3.91Å; F2574-I2606 HydrophobicContact CE1-CG2 3.68Å; F2574-I2606 HydrophobicContact CZ-CG2 4.21Å
2575E87.5Confident82.2Confident34 Ų3467.9 Ų67.916%0.15935%0.351CS..EExtended strand (participates in β ladder)trans-135.1131.3173.5-167.3171.7140.200109.1I2584 V2585 W2603 E2605 H2608E2575-I2584 HydrophobicContact CG-CG2 3.3Å; E2575-I2584 VanDerWaalsContact OE1-CG2 3.23Å; E2575-I2584 WeakPolarHBondContact OE1-CG2 3.29Å; E2575-V2585 CarbonylContact C-O 3.59Å; E2575-V2585 WeakPolarHBondContact CA-O 3.47Å; E2575-W2603 HydrophobicContact CB-CZ3 4.29Å; E2575-W2603 HydrophobicContact CG-CH2 4.05Å; E2575-W2603 HydrophobicContact CG-CZ3 4.14Å; E2575-W2603 WeakPolarHBondContact O-CZ3 3.35Å; E2575-E2605 PolarHBondContact N-O 2.7Å; E2575-E2605 PolarHBondContact O-N 2.74Å; E2575-H2608 HydrophobicContact CB-CB 4.44Å; E2575-H2608 IonicContact OE1-ND1 2.72Å; E2575-H2608 IonicContact OE2-CE1 2.89Å; E2575-H2608 PolarHBondContact OE2-CE1 3.49Å; E2575-H2608 IonicContact OE2-CG 3.06Å; E2575-H2608 IonicContact OE2-ND1 3.06Å; E2575-H2608 PolarHBondContact OE2-ND1 3.24Å
2576A85.2Confident81.9Confident2 Ų267.2 Ų67.22%0.01736%0.355CS..EExtended strand (participates in β ladder)trans-132.6137.6176.300000110.3V2585 F2591 W2603 L2604A2576-V2585 PolarHBondContact N-O 3.44Å; A2576-V2585 PolarHBondContact O-N 3.22Å; A2576-F2591 HydrophobicContact CB-CE1 3.83Å; A2576-F2591 HydrophobicContact CB-CZ 3.59Å; A2576-W2603 WeakPolarHBondContact CA-O 3.42Å; A2576-L2604 HydrophobicContact CB-CD1 3.89Å
2577K85.7Confident81.5Confident60.5 Ų60.565.2 Ų65.226%0.26334%0.344SS..EExtended strand (participates in β ladder)trans-100.6130170.9-176.9166-178.2169.30110.3D2582 A2602 W2603K2577-D2582 WeakPolarHBondContact CE-OD1 3.45Å; K2577-D2582 IonicContact NZ-OD1 3.61Å; K2577-D2582 PolarHBondContact NZ-OD1 3.37Å; K2577-A2602 HydrophobicContact CG-CB 4.44Å; K2577-A2602 PolarHBondContact O-N 3.41Å; K2577-W2603 HydrophobicContact CB-CD2 4.14Å; K2577-W2603 HydrophobicContact CB-CH2 4.4Å; K2577-W2603 HydrophobicContact CB-CZ2 3.71Å; K2577-W2603 PolarHBondContact N-O 3.4Å; K2577-W2603 VanDerWaalsContact N-O 3.15Å
2578L81.4Confident81Confident35.5 Ų35.571 Ų7119%0.18636%0.363CS..EExtended strand (participates in β ladder)trans-73.4153.8170.4-72.8169.4000111.3S2581 V2583 V2585 V2597 N2600 M2601L2578-S2581 VanDerWaalsContact CB-OG 3.3Å; L2578-S2581 WeakPolarHBondContact CB-OG 3.44Å; L2578-S2581 WeakPolarHBondContact CD1-OG 3.37Å; L2578-S2581 VanDerWaalsContact O-O 3.13Å; L2578-V2583 HydrophobicContact CD1-CB 4.41Å; L2578-V2585 HydrophobicContact CD1-CG2 4.33Å; L2578-V2597 HydrophobicContact CD2-CG1 3.66Å; L2578-N2600 CarbonylContact C-O 3.46Å; L2578-N2600 WeakPolarHBondContact CA-O 3.45Å; L2578-N2600 HydrophobicContact CD2-CB 3.85Å; L2578-N2600 WeakPolarHBondContact CD2-O 3.32Å; L2578-M2601 HydrophobicContact CD2-CE 4.33Å; L2578-M2601 HydrophobicContact CD2-CG 3.98Å
2579R74.5Confident80.4Confident124 Ų12467.6 Ų67.647%0.46836%0.355SS..SBendtrans-72.4-122.7173.5-75.6168163.7-159.2-19.3111.2S2581 E2599 N2600 M2601 A2602 H2620R2579-S2581 PolarHBondContact O-N 2.95Å; R2579-E2599 VanDerWaalsContact CD-O 3.32Å; R2579-E2599 WeakPolarHBondContact CD-O 3.44Å; R2579-E2599 PolarHBondContact NH1-O 2.99Å; R2579-N2600 WeakPolarHBondContact CB-O 3.41Å; R2579-N2600 WeakPolarHBondContact CG-O 3.45Å; R2579-N2600 PolarHBondContact N-O 3.31Å; R2579-M2601 PolarHBondContact NE-O 3.07Å; R2579-A2602 HydrophobicContact CG-CB 4.21Å; R2579-H2620 PolarHBondContact NH1-CE1 3.47Å; R2579-H2620 PolarHBondContact NH1-NE2 2.99Å; R2579-H2620 PolarHBondContact NH2-ND1 2.82Å; R2579-H2620 VanDerWaalsContact NH2-ND1 3.16Å
2580E70.9Confident79.8Confident199 Ų19966.6 Ų66.693%0.9335%0.349SS*.SBendtrans-18-19.6-177.4-62.5175-178.300114.7
2581S68.6Low79.3Confident41 Ų4165.4 Ų65.429%0.28734%0.341SS..  trans-120.4143.7177.266.20000111.6L2578 R2579 V2583L2578-S2581 VanDerWaalsContact CB-OG 3.3Å; L2578-S2581 WeakPolarHBondContact CB-OG 3.44Å; L2578-S2581 WeakPolarHBondContact CD1-OG 3.37Å; L2578-S2581 VanDerWaalsContact O-O 3.13Å; R2579-S2581 PolarHBondContact O-N 2.95Å; S2581-V2583 PolarHBondContact O-N 3.18Å; S2581-V2583 VanDerWaalsContact O-N 3.14Å
2582D70.7Confident79Confident134 Ų13463.5 Ų63.572%0.71733%0.333SS*.  trans-74.911.6168.5-76.6-40.3000113.1K2577 I2584K2577-D2582 WeakPolarHBondContact CE-OD1 3.45Å; K2577-D2582 IonicContact NZ-OD1 3.61Å; K2577-D2582 PolarHBondContact NZ-OD1 3.37Å; D2582-I2584 PolarHBondContact O-N 3.17Å; D2582-I2584 VanDerWaalsContact O-N 3.16Å
2583V75.3Confident78.6Confident85.5 Ų85.563.5 Ų63.552%0.51833%0.333SS..  trans-71.8115.3175.4-179.50000109.3L2578 S2581 V2585L2578-V2583 HydrophobicContact CD1-CB 4.41Å; S2581-V2583 PolarHBondContact O-N 3.18Å; S2581-V2583 VanDerWaalsContact O-N 3.14Å; V2583-V2585 HydrophobicContact CG1-CG2 4.21Å
2584I78.1Confident77.7Confident88 Ų8861.9 Ų61.945%0.45133%0.326SS..EExtended strand (participates in β ladder)trans-87.9126.3170.2-63.9171.4000107.6E2575 D2582E2575-I2584 HydrophobicContact CG-CG2 3.3Å; E2575-I2584 VanDerWaalsContact OE1-CG2 3.23Å; E2575-I2584 WeakPolarHBondContact OE1-CG2 3.29Å; D2582-I2584 PolarHBondContact O-N 3.17Å; D2582-I2584 VanDerWaalsContact O-N 3.16Å
2585V77.8Confident76.8Confident36.5 Ų36.563.2 Ų63.222%0.22134%0.336CS..EExtended strand (participates in β ladder)trans-102.2112.2174.7-177.20000107.8F2574 E2575 A2576 L2578 V2583 F2591F2574-V2585 HydrophobicContact CE2-CG1 4.47Å; E2575-V2585 CarbonylContact C-O 3.59Å; E2575-V2585 WeakPolarHBondContact CA-O 3.47Å; A2576-V2585 PolarHBondContact N-O 3.44Å; A2576-V2585 PolarHBondContact O-N 3.22Å; L2578-V2585 HydrophobicContact CD1-CG2 4.33Å; V2583-V2585 HydrophobicContact CG1-CG2 4.21Å; V2585-F2591 HydrophobicContact CB-CE2 4.41Å; V2585-F2591 HydrophobicContact CB-CZ 3.98Å; V2585-F2591 HydrophobicContact CG1-CE2 3.87Å; V2585-F2591 HydrophobicContact CG1-CZ 3.68Å; V2585-F2591 WeakPolarHBondContact O-CE2 3.3Å
2586S80.5Confident75.7Confident86.5 Ų86.563.9 Ų63.961%0.60534%0.341SS*.EExtended strand (participates in β ladder)trans-111.5148.6175.357.20000111.3F2574F2574-S2586 CarbonylContact O-C 3.59Å; F2574-S2586 VanDerWaalsContact O-CA 3.25Å; F2574-S2586 WeakPolarHBondContact O-CA 3.41Å
2587S80.6Confident74.8Confident36.5 Ų36.565.7 Ų65.726%0.25535%0.351SS..EExtended strand (participates in β ladder)trans-147.1139.8168.2170.50000110.9N2573 F2574 T2590N2573-S2587 CarbonylContact C-O 3.26Å; N2573-S2587 WeakPolarHBondContact CA-O 3.5Å; F2574-S2587 WeakPolarHBondContact CD1-O 3.38Å; F2574-S2587 PolarHBondContact N-O 3.02Å; F2574-S2587 VanDerWaalsContact N-O 3.15Å; F2574-S2587 PolarHBondContact O-N 2.97Å; F2574-S2587 VanDerWaalsContact O-N 3.17Å; S2587-T2590 PolarHBondContact OG-O 3.41Å
2588E76.8Confident74.3Confident155 Ų15563 Ų6372%0.72434%0.34SS*.SBendtrans-87.562.7-174.9-60.1-179162.700111.6S2572 N2573 T2590S2572-E2588 CarbonylContact C-O 3.56Å; S2572-E2588 VanDerWaalsContact C-O 3.26Å; S2572-E2588 PolarHBondContact N-O 3.02Å; N2573-E2588 WeakPolarHBondContact OD1-CA 3.49Å; E2588-T2590 PolarHBondContact O-N 2.9Å
2589D76Confident73.9Confident73 Ų7366.7 Ų66.739%0.3936%0.356SS..SBendtrans-21.4-57.5-178-75.6-20.7000114.7L2571 S2572 N2573L2571-D2589 CarbonylContact C-O 3.49Å; L2571-D2589 WeakPolarHBondContact CA-O 3.08Å; L2571-D2589 HydrophobicContact CB-CB 4.32Å; L2571-D2589 HydrophobicContact CD1-CB 4.32Å; L2571-D2589 WeakPolarHBondContact CD1-OD1 3.39Å; L2571-D2589 HydrophobicContact CD2-CB 4.09Å; L2571-D2589 HydrophobicContact CG-CB 4.47Å; S2572-D2589 PolarHBondContact N-O 3Å; S2572-D2589 CarbonylContact O-C 3.56Å; N2573-D2589 PolarHBondContact OD1-N 3.15Å; N2573-D2589 VanDerWaalsContact OD1-N 3.08Å
2590T74.6Confident74Confident21.5 Ų21.564.5 Ų64.513%0.13235%0.354CS..  trans-142.6136.3-177.560.70000111.9R2558 V2559 L2571 S2587 E2588 V2592R2558-T2590 PolarHBondContact NH1-OG1 3.44Å; V2559-T2590 WeakPolarHBondContact O-CB 3.21Å; L2571-T2590 HydrophobicContact CD2-CG2 4.38Å; S2587-T2590 PolarHBondContact OG-O 3.41Å; E2588-T2590 PolarHBondContact O-N 2.9Å; T2590-V2592 PolarHBondContact O-N 2.92Å
2591F76.3Confident74.3Confident2 Ų255.1 Ų55.11%0.00931%0.31CS..  trans-72.4125176.7-98.8-103.1000111R2558 V2559 A2561 S2572 F2574 A2576 V2585 F2593 L2604R2558-F2591 CarbonylContact C-O 3.58Å; R2558-F2591 WeakPolarHBondContact CA-O 3.28Å; V2559-F2591 HydrophobicContact CB-CB 4.03Å; V2559-F2591 HydrophobicContact CB-CD2 3.91Å; V2559-F2591 HydrophobicContact CB-CG 4.13Å; V2559-F2591 HydrophobicContact CG1-CD2 4.12Å; V2559-F2591 PolarHBondContact N-O 3.22Å; V2559-F2591 VanDerWaalsContact N-O 3.13Å; V2559-F2591 WeakPolarHBondContact O-CB 3.43Å; V2559-F2591 VanDerWaalsContact O-CD2 3.28Å; V2559-F2591 WeakPolarHBondContact O-CD2 3.41Å; V2559-F2591 PolarHBondContact O-N 3.04Å; A2561-F2591 HydrophobicContact CB-CE2 4.12Å; S2572-F2591 WeakPolarHBondContact OG-CE2 3.34Å; S2572-F2591 WeakPolarHBondContact OG-CZ 3.29Å; F2574-F2591 HydrophobicContact CB-CB 3.9Å; F2574-F2591 HydrophobicContact CB-CD1 3.21Å; F2574-F2591 HydrophobicContact CB-CD2 3.44Å; F2574-F2591 VanDerWaalsContact CB-CD2 3.44Å; F2574-F2591 HydrophobicContact CB-CE1 3.1Å; F2574-F2591 HydrophobicContact CB-CE2 4.16Å; F2574-F2591 HydrophobicContact CB-CG 4.16Å; F2574-F2591 HydrophobicContact CB-CZ 4.27Å; F2574-F2591 HydrophobicContact CD1-CB 4.05Å; F2574-F2591 AromaticContact CD1-CD1 3.42Å; F2574-F2591 HydrophobicContact CD1-CD1 3.42Å; F2574-F2591 VanDerWaalsContact CD1-CD1 3.42Å; F2574-F2591 HydrophobicContact CD1-CE1 4.14Å; F2574-F2591 HydrophobicContact CD1-CG 4.04Å; F2574-F2591 HydrophobicContact CD2-CB 3.86Å; F2574-F2591 HydrophobicContact CD2-CD1 4.18Å; F2574-F2591 HydrophobicContact CE1-CB 4.32Å; F2574-F2591 HydrophobicContact CE1-CD1 4.24Å; F2574-F2591 HydrophobicContact CE2-CB 4.37Å; F2574-F2591 HydrophobicContact CG-CB 3.67Å; F2574-F2591 AromaticContact CG-CD1 3.36Å; F2574-F2591 HydrophobicContact CG-CD1 3.36Å; F2574-F2591 HydrophobicContact CG-CD2 4.19Å; F2574-F2591 AromaticContact CG-CE1 3.84Å; F2574-F2591 HydrophobicContact CG-CE1 3.84Å; F2574-F2591 HydrophobicContact CG-CG 4.29Å; A2576-F2591 HydrophobicContact CB-CE1 3.83Å; A2576-F2591 HydrophobicContact CB-CZ 3.59Å; V2585-F2591 HydrophobicContact CB-CE2 4.41Å; V2585-F2591 HydrophobicContact CB-CZ 3.98Å; V2585-F2591 HydrophobicContact CG1-CE2 3.87Å; V2585-F2591 HydrophobicContact CG1-CZ 3.68Å; V2585-F2591 WeakPolarHBondContact O-CE2 3.3Å; F2591-F2593 HydrophobicContact CB-CE2 4.13Å; F2591-F2593 AromaticContact CD1-CD1 3.6Å; F2591-F2593 HydrophobicContact CD1-CD1 3.6Å; F2591-F2593 AromaticContact CD1-CE1 3.46Å; F2591-F2593 HydrophobicContact CD1-CE1 3.46Å; F2591-F2593 VanDerWaalsContact CD1-CE1 3.46Å; F2591-F2593 HydrophobicContact CD1-CG 4.22Å; F2591-F2593 AromaticContact CD1-CZ 3.97Å; F2591-F2593 HydrophobicContact CD1-CZ 3.97Å; F2591-F2593 AromaticContact CE1-CD1 3.44Å; F2591-F2593 HydrophobicContact CE1-CD1 3.44Å; F2591-F2593 VanDerWaalsContact CE1-CD1 3.44Å; F2591-F2593 AromaticContact CE1-CE1 3.44Å; F2591-F2593 HydrophobicContact CE1-CE1 3.44Å; F2591-F2593 VanDerWaalsContact CE1-CE1 3.44Å; F2591-F2593 HydrophobicContact CE1-CG 4.38Å; F2591-F2593 HydrophobicContact CE1-CZ 4.38Å; F2591-L2604 HydrophobicContact CD1-CD1 4.43Å; F2591-L2604 HydrophobicContact CE1-CD1 4.44Å
2592V79.2Confident75Confident42 Ų4254.7 Ų54.726%0.25531%0.309SS..BIsolated β-bridgetrans-123.3112.9172.2-1780000107.9T2513 R2557 R2558 T2590T2513-V2592 HydrophobicContact CG2-CG1 3.86Å; R2557-V2592 HydrophobicContact CB-CG1 4.29Å; R2557-V2592 HydrophobicContact CG-CG1 3.85Å; R2557-V2592 WeakPolarHBondContact O-CA 3.44Å; R2558-V2592 HydrophobicContact CB-CG2 4.32Å; R2558-V2592 HydrophobicContact CG-CG2 4.33Å; T2590-V2592 PolarHBondContact O-N 2.92Å
2593F76.5Confident75.7Confident2.5 Ų2.551 Ų511%0.01129%0.285CS..  trans-78.6125.3179.5-67.7-75.5000110.7R2557 V2559 F2591 S2595 L2598 M2601 L2604 F2628 F2632R2557-F2593 HydrophobicContact CB-CB 4.36Å; R2557-F2593 WeakPolarHBondContact CD-O 3.5Å; R2557-F2593 VanDerWaalsContact CG-O 3.24Å; R2557-F2593 WeakPolarHBondContact CG-O 3.32Å; R2557-F2593 PolarHBondContact NE-O 2.81Å; R2557-F2593 PolarHBondContact NH1-O 3.16Å; R2557-F2593 WeakPolarHBondContact O-CD2 3.39Å; R2557-F2593 PolarHBondContact O-N 2.91Å; R2557-F2593 VanDerWaalsContact O-N 3.15Å; V2559-F2593 HydrophobicContact CG2-CD2 4.41Å; V2559-F2593 HydrophobicContact CG2-CE2 3.7Å; V2559-F2593 VanDerWaalsContact CG2-CE2 3.48Å; V2559-F2593 HydrophobicContact CG2-CZ 4Å; F2591-F2593 HydrophobicContact CB-CE2 4.13Å; F2591-F2593 AromaticContact CD1-CD1 3.6Å; F2591-F2593 HydrophobicContact CD1-CD1 3.6Å; F2591-F2593 AromaticContact CD1-CE1 3.46Å; F2591-F2593 HydrophobicContact CD1-CE1 3.46Å; F2591-F2593 VanDerWaalsContact CD1-CE1 3.46Å; F2591-F2593 HydrophobicContact CD1-CG 4.22Å; F2591-F2593 AromaticContact CD1-CZ 3.97Å; F2591-F2593 HydrophobicContact CD1-CZ 3.97Å; F2591-F2593 AromaticContact CE1-CD1 3.44Å; F2591-F2593 HydrophobicContact CE1-CD1 3.44Å; F2591-F2593 VanDerWaalsContact CE1-CD1 3.44Å; F2591-F2593 AromaticContact CE1-CE1 3.44Å; F2591-F2593 HydrophobicContact CE1-CE1 3.44Å; F2591-F2593 VanDerWaalsContact CE1-CE1 3.44Å; F2591-F2593 HydrophobicContact CE1-CG 4.38Å; F2591-F2593 HydrophobicContact CE1-CZ 4.38Å; F2593-S2595 PolarHBondContact O-N 2.99Å; F2593-L2598 HydrophobicContact CD1-CD1 4.49Å; F2593-L2598 HydrophobicContact CE1-CD1 4.26Å; F2593-L2598 HydrophobicContact CE2-CD1 4.47Å; F2593-L2598 HydrophobicContact CZ-CD1 4.12Å; F2593-M2601 HydrophobicContact CB-CE 4.33Å; F2593-M2601 HydrophobicContact CD1-CE 3.36Å; F2593-M2601 HydrophobicContact CD1-SD 3.55Å; F2593-M2601 VanDerWaalsContact CD1-SD 3.55Å; F2593-M2601 HydrophobicContact CE1-CE 3.94Å; F2593-M2601 HydrophobicContact CE1-SD 3.43Å; F2593-M2601 WeakPolarHBondContact CE1-SD 3.42Å; F2593-M2601 HydrophobicContact CG-CE 4.13Å; F2593-M2601 HydrophobicContact CZ-SD 4.47Å; F2593-L2604 HydrophobicContact CZ-CD2 4.28Å; F2593-F2628 HydrophobicContact CE2-CZ 4.17Å; F2593-F2628 HydrophobicContact CZ-CE1 4.27Å; F2593-F2628 AromaticContact CZ-CZ 3.87Å; F2593-F2628 HydrophobicContact CZ-CZ 3.87Å; F2593-F2632 HydrophobicContact CD2-CD2 4.49Å; F2593-F2632 HydrophobicContact CD2-CE1 4.46Å; F2593-F2632 AromaticContact CD2-CE2 3.53Å; F2593-F2632 HydrophobicContact CD2-CE2 3.53Å; F2593-F2632 AromaticContact CD2-CZ 3.5Å; F2593-F2632 HydrophobicContact CD2-CZ 3.5Å; F2593-F2632 VanDerWaalsContact CD2-CZ 3.5Å; F2593-F2632 AromaticContact CE2-CD2 3.96Å; F2593-F2632 HydrophobicContact CE2-CD2 3.96Å; F2593-F2632 HydrophobicContact CE2-CE1 4.48Å; F2593-F2632 AromaticContact CE2-CE2 3.43Å; F2593-F2632 HydrophobicContact CE2-CE2 3.43Å; F2593-F2632 VanDerWaalsContact CE2-CE2 3.43Å; F2593-F2632 AromaticContact CE2-CZ 3.71Å; F2593-F2632 HydrophobicContact CE2-CZ 3.71Å
2594P69Low76.3Confident36.5 Ų36.546.9 Ų46.924%0.23726%0.26CS..  trans-70.670171.513.4-7.8000111T2339 D2596 V2597T2339-P2594 WeakPolarHBondContact CA-O 3.4Å; T2339-P2594 WeakPolarHBondContact O-CB 3.46Å; P2594-D2596 PolarHBondContact O-N 3.17Å; P2594-V2597 HydrophobicContact CB-CG2 3.66Å; P2594-V2597 HydrophobicContact CG-CB 4.38Å; P2594-V2597 HydrophobicContact CG-CG2 3.52Å; P2594-V2597 PolarHBondContact O-N 2.82Å; P2594-V2597 VanDerWaalsContact O-N 3.11Å
2595S66.9Low76.7Confident31.5 Ų31.544.4 Ų44.422%0.2225%0.247CC..SBendtrans-93.9-124.8-175.8108.60000112.4A2337 L2514 F2593 V2597A2337-S2595 PolarHBondContact O-OG 3.41Å; L2514-S2595 VanDerWaalsContact O-CB 3.31Å; L2514-S2595 WeakPolarHBondContact O-CB 3.46Å; L2514-S2595 PolarHBondContact O-OG 3.41Å; F2593-S2595 PolarHBondContact O-N 2.99Å; S2595-V2597 PolarHBondContact O-N 3.48Å; S2595-V2597 PolarHBondContact OG-N 2.99Å
2596D64.1Low77.1Confident48 Ų4842.7 Ų42.726%0.25724%0.236SC..SBendtrans-74.5-16.1178.8-63.729000114A2515 N2516 R2557 P2594 L2598 N2600A2515-D2596 WeakPolarHBondContact CA-OD2 3.39Å; A2515-D2596 WeakPolarHBondContact CB-OD2 3.48Å; N2516-D2596 VanDerWaalsContact CB-OD1 3.27Å; N2516-D2596 WeakPolarHBondContact CB-OD1 3.46Å; N2516-D2596 WeakPolarHBondContact CB-OD2 3.48Å; N2516-D2596 VanDerWaalsContact N-CG 3.32Å; N2516-D2596 PolarHBondContact N-OD1 2.97Å; N2516-D2596 PolarHBondContact N-OD2 3.32Å; N2516-D2596 PolarHBondContact ND2-OD1 3.48Å; N2516-D2596 PolarHBondContact ND2-OD2 3Å; R2557-D2596 IonicContact CZ-OD1 3.88Å; R2557-D2596 IonicContact CZ-OD2 2.8Å; R2557-D2596 IonicContact NH2-OD1 2.98Å; R2557-D2596 PolarHBondContact NH2-OD1 3.22Å; R2557-D2596 IonicContact NH2-OD2 3.26Å; R2557-D2596 PolarHBondContact NH2-OD2 2.91Å; P2594-D2596 PolarHBondContact O-N 3.17Å; D2596-L2598 PolarHBondContact O-N 3.38Å; D2596-N2600 PolarHBondContact O-ND2 3.01Å
2597V67.9Low77.2Confident40 Ų4038.7 Ų38.724%0.24221%0.208CC..THydrogen-bonded Turntrans-89.427-166.8-167.20000110.9L2578 P2594 S2595 E2599 N2600L2578-V2597 HydrophobicContact CD2-CG1 3.66Å; P2594-V2597 HydrophobicContact CB-CG2 3.66Å; P2594-V2597 HydrophobicContact CG-CB 4.38Å; P2594-V2597 HydrophobicContact CG-CG2 3.52Å; P2594-V2597 PolarHBondContact O-N 2.82Å; P2594-V2597 VanDerWaalsContact O-N 3.11Å; S2595-V2597 PolarHBondContact O-N 3.48Å; S2595-V2597 PolarHBondContact OG-N 2.99Å; V2597-E2599 VanDerWaalsContact C-N 3.31Å; V2597-E2599 HydrophobicContact CG1-CB 3.99Å; V2597-E2599 PolarHBondContact O-N 3.21Å; V2597-E2599 VanDerWaalsContact O-N 3.09Å; V2597-N2600 HydrophobicContact CB-CB 4.24Å; V2597-N2600 HydrophobicContact CG1-CB 4.2Å; V2597-N2600 WeakPolarHBondContact CG1-OD1 3.23Å; V2597-N2600 WeakPolarHBondContact O-CB 3.4Å; V2597-N2600 PolarHBondContact O-N 3.22Å
2598L73.9Confident77Confident4.5 Ų4.539.6 Ų39.62%0.02421%0.208CC..G310 helixtrans-56.5-31.8177.8-177.360.4000112.4F2593 D2596 N2600 M2601 W2625 F2628 K2629 F2632F2593-L2598 HydrophobicContact CD1-CD1 4.49Å; F2593-L2598 HydrophobicContact CE1-CD1 4.26Å; F2593-L2598 HydrophobicContact CE2-CD1 4.47Å; F2593-L2598 HydrophobicContact CZ-CD1 4.12Å; D2596-L2598 PolarHBondContact O-N 3.38Å; L2598-N2600 VanDerWaalsContact C-N 3.32Å; L2598-N2600 PolarHBondContact O-N 2.98Å; L2598-M2601 HydrophobicContact CD1-CE 4.47Å; L2598-M2601 HydrophobicContact CD1-SD 3.76Å; L2598-M2601 WeakPolarHBondContact O-CB 3.3Å; L2598-M2601 PolarHBondContact O-N 3.5Å; L2598-W2625 HydrophobicContact CD1-CH2 3.77Å; L2598-W2625 HydrophobicContact CD1-CZ2 3.6Å; L2598-W2625 HydrophobicContact CG-CH2 4.44Å; L2598-W2625 HydrophobicContact CG-CZ2 3.78Å; L2598-W2625 WeakPolarHBondContact O-CZ2 3.43Å; L2598-F2628 HydrophobicContact CD1-CE1 4.14Å; L2598-K2629 HydrophobicContact CD2-CB 4.24Å; L2598-K2629 HydrophobicContact CD2-CD 4.36Å; L2598-K2629 HydrophobicContact CD2-CG 3.94Å; L2598-F2632 HydrophobicContact CD2-CD1 3.94Å; L2598-F2632 HydrophobicContact CD2-CE1 4.14Å
2599E73.1Confident76.8Confident113.5 Ų113.538.7 Ų38.753%0.5321%0.208SC..G310 helixtrans-73.6-18.9178.4-52-163.1149.600113.2R2579 V2597 M2601 K2629R2579-E2599 VanDerWaalsContact CD-O 3.32Å; R2579-E2599 WeakPolarHBondContact CD-O 3.44Å; R2579-E2599 PolarHBondContact NH1-O 2.99Å; V2597-E2599 VanDerWaalsContact C-N 3.31Å; V2597-E2599 HydrophobicContact CG1-CB 3.99Å; V2597-E2599 PolarHBondContact O-N 3.21Å; V2597-E2599 VanDerWaalsContact O-N 3.09Å; E2599-M2601 PolarHBondContact O-N 3.36Å; E2599-K2629 IonicContact OE1-NZ 2.65Å; E2599-K2629 PolarHBondContact OE1-NZ 3.38Å
2600N77.6Confident76.9Confident76.5 Ų76.536.2 Ų36.241%0.40920%0.196SC..G310 helixtrans-8910.6178-66.3-6.9000112.6L2578 R2579 D2596 V2597 L2598L2578-N2600 CarbonylContact C-O 3.46Å; L2578-N2600 WeakPolarHBondContact CA-O 3.45Å; L2578-N2600 HydrophobicContact CD2-CB 3.85Å; L2578-N2600 WeakPolarHBondContact CD2-O 3.32Å; R2579-N2600 WeakPolarHBondContact CB-O 3.41Å; R2579-N2600 WeakPolarHBondContact CG-O 3.45Å; R2579-N2600 PolarHBondContact N-O 3.31Å; D2596-N2600 PolarHBondContact O-ND2 3.01Å; V2597-N2600 HydrophobicContact CB-CB 4.24Å; V2597-N2600 HydrophobicContact CG1-CB 4.2Å; V2597-N2600 WeakPolarHBondContact CG1-OD1 3.23Å; V2597-N2600 WeakPolarHBondContact O-CB 3.4Å; V2597-N2600 PolarHBondContact O-N 3.22Å; L2598-N2600 VanDerWaalsContact C-N 3.32Å; L2598-N2600 PolarHBondContact O-N 2.98Å
2601M77.1Confident76.9Confident2 Ų240.6 Ų40.61%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-110.8138.7176-67.5166-152.900111L2578 R2579 F2593 L2598 E2599 H2620 W2625L2578-M2601 HydrophobicContact CD2-CE 4.33Å; L2578-M2601 HydrophobicContact CD2-CG 3.98Å; R2579-M2601 PolarHBondContact NE-O 3.07Å; F2593-M2601 HydrophobicContact CB-CE 4.33Å; F2593-M2601 HydrophobicContact CD1-CE 3.36Å; F2593-M2601 HydrophobicContact CD1-SD 3.55Å; F2593-M2601 VanDerWaalsContact CD1-SD 3.55Å; F2593-M2601 HydrophobicContact CE1-CE 3.94Å; F2593-M2601 HydrophobicContact CE1-SD 3.43Å; F2593-M2601 WeakPolarHBondContact CE1-SD 3.42Å; F2593-M2601 HydrophobicContact CG-CE 4.13Å; F2593-M2601 HydrophobicContact CZ-SD 4.47Å; L2598-M2601 HydrophobicContact CD1-CE 4.47Å; L2598-M2601 HydrophobicContact CD1-SD 3.76Å; L2598-M2601 WeakPolarHBondContact O-CB 3.3Å; L2598-M2601 PolarHBondContact O-N 3.5Å; E2599-M2601 PolarHBondContact O-N 3.36Å; M2601-H2620 VanDerWaalsContact O-CB 3.26Å; M2601-H2620 WeakPolarHBondContact O-CB 3.49Å; M2601-H2620 PolarHBondContact O-CD2 2.97Å; M2601-H2620 VanDerWaalsContact O-CD2 3.24Å; M2601-W2625 HydrophobicContact CB-CH2 3.92Å; M2601-W2625 HydrophobicContact CB-CZ2 4.19Å
2602A82.2Confident77.2Confident33 Ų3348 Ų4827%0.27325%0.251SS..EExtended strand (participates in β ladder)trans-84.8-46.1176.900000110.4K2577 R2579 H2620K2577-A2602 HydrophobicContact CG-CB 4.44Å; K2577-A2602 PolarHBondContact O-N 3.41Å; R2579-A2602 HydrophobicContact CG-CB 4.21Å; A2602-H2620 WeakPolarHBondContact O-CB 3.43Å; A2602-H2620 PolarHBondContact O-N 3.01Å
2603W86.7Confident77.5Confident56 Ų5647.6 Ų47.621%0.21225%0.246CC..EExtended strand (participates in β ladder)trans-157.3159.6175.753.2-97.7000111.6E2575 A2576 K2577 E2605 V2617 F2618 Y2619E2575-W2603 HydrophobicContact CB-CZ3 4.29Å; E2575-W2603 HydrophobicContact CG-CH2 4.05Å; E2575-W2603 HydrophobicContact CG-CZ3 4.14Å; E2575-W2603 WeakPolarHBondContact O-CZ3 3.35Å; A2576-W2603 WeakPolarHBondContact CA-O 3.42Å; K2577-W2603 HydrophobicContact CB-CD2 4.14Å; K2577-W2603 HydrophobicContact CB-CH2 4.4Å; K2577-W2603 HydrophobicContact CB-CZ2 3.71Å; K2577-W2603 PolarHBondContact N-O 3.4Å; K2577-W2603 VanDerWaalsContact N-O 3.15Å; W2603-E2605 HydrophobicContact CE3-CB 4.07Å; W2603-E2605 HydrophobicContact CZ3-CB 3.8Å; W2603-V2617 HydrophobicContact CB-CG1 4.4Å; W2603-F2618 WeakPolarHBondContact CA-O 3.33Å; W2603-Y2619 HydrophobicContact CB-CD1 3.76Å; W2603-Y2619 HydrophobicContact CB-CE1 4.11Å; W2603-Y2619 HydrophobicContact CG-CD1 4.4Å; W2603-Y2619 HydrophobicContact CG-CE1 4.37Å
2604L86.9Confident78Confident0 Ų052.5 Ų52.50%026%0.264CS..EExtended strand (participates in β ladder)trans-125.6122.2170173.269.4000108.5F2574 A2576 F2591 F2593 V2617 F2618 W2625 F2628F2574-L2604 HydrophobicContact CD1-CD1 4.45Å; A2576-L2604 HydrophobicContact CB-CD1 3.89Å; F2591-L2604 HydrophobicContact CD1-CD1 4.43Å; F2591-L2604 HydrophobicContact CE1-CD1 4.44Å; F2593-L2604 HydrophobicContact CZ-CD2 4.28Å; L2604-V2617 CarbonylContact O-C 3.56Å; L2604-V2617 WeakPolarHBondContact O-CA 3.29Å; L2604-F2618 PolarHBondContact N-O 3.31Å; L2604-F2618 PolarHBondContact O-N 3.43Å; L2604-W2625 HydrophobicContact CB-CZ3 4.21Å; L2604-F2628 HydrophobicContact CD2-CE1 3.81Å; L2604-F2628 HydrophobicContact CD2-CE2 4.4Å; L2604-F2628 HydrophobicContact CD2-CZ 3.72Å
2605E87.8Confident78.9Confident36 Ų3653.5 Ų53.517%0.16827%0.271CS..EExtended strand (participates in β ladder)trans-104.2141.8168.9-177.3164.3162.300110.1E2575 W2603 H2608 V2617E2575-E2605 PolarHBondContact N-O 2.7Å; E2575-E2605 PolarHBondContact O-N 2.74Å; W2603-E2605 HydrophobicContact CE3-CB 4.07Å; W2603-E2605 HydrophobicContact CZ3-CB 3.8Å; E2605-H2608 HydrophobicContact CG-CB 4.06Å; E2605-H2608 VanDerWaalsContact OE1-CA 3.31Å; E2605-H2608 WeakPolarHBondContact OE1-CA 3.34Å; E2605-H2608 WeakPolarHBondContact OE1-CB 3.41Å; E2605-H2608 IonicContact OE1-CD2 3.25Å; E2605-H2608 PolarHBondContact OE1-CD2 3.4Å; E2605-H2608 IonicContact OE1-CG 2.95Å; E2605-V2617 HydrophobicContact CB-CG2 4.13Å; E2605-V2617 HydrophobicContact CG-CG2 3.86Å
2606I85.8Confident79.9Confident0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-121.1139.1172.8-41.5177.3000107.1N2573 F2574 P2615 T2616 F2618 I2638 V2640N2573-I2606 CarbonylContact O-C 3.57Å; F2574-I2606 HydrophobicContact CD1-CB 4.33Å; F2574-I2606 HydrophobicContact CD1-CD1 4.44Å; F2574-I2606 HydrophobicContact CD1-CG1 3.89Å; F2574-I2606 HydrophobicContact CD1-CG2 3.93Å; F2574-I2606 HydrophobicContact CE1-CB 4.36Å; F2574-I2606 HydrophobicContact CE1-CD1 3.97Å; F2574-I2606 HydrophobicContact CE1-CG1 3.91Å; F2574-I2606 HydrophobicContact CE1-CG2 3.68Å; F2574-I2606 HydrophobicContact CZ-CG2 4.21Å; I2606-P2615 CarbonylContact O-C 3.24Å; I2606-P2615 VanDerWaalsContact O-CA 3.22Å; I2606-P2615 WeakPolarHBondContact O-CA 3.09Å; I2606-T2616 PolarHBondContact N-O 3.46Å; I2606-T2616 PolarHBondContact O-N 2.82Å; I2606-F2618 HydrophobicContact CD1-CD2 4.48Å; I2606-F2618 HydrophobicContact CD1-CE2 3.82Å; I2606-F2618 HydrophobicContact CG1-CE2 4.42Å; I2606-I2638 HydrophobicContact CD1-CB 4.19Å; I2606-I2638 HydrophobicContact CD1-CD1 3.49Å; I2606-I2638 VanDerWaalsContact CD1-CD1 3.49Å; I2606-I2638 HydrophobicContact CD1-CG1 4.45Å; I2606-I2638 HydrophobicContact CD1-CG2 3.75Å; I2606-V2640 HydrophobicContact CG2-CG2 4.44Å
2607N82.4Confident81Confident2 Ų254 Ų541%0.01127%0.274CS..SBendtrans64.633.8-175.1-50.5-54.6000114.8S2572 N2573 N2609 S2610 W2614 V2640S2572-N2607 VanDerWaalsContact CB-OD1 3.29Å; S2572-N2607 WeakPolarHBondContact CB-OD1 3.39Å; N2573-N2607 WeakPolarHBondContact O-CA 3.41Å; N2573-N2607 PolarHBondContact O-N 2.85Å; N2607-N2609 PolarHBondContact O-N 3.16Å; N2607-S2610 WeakPolarHBondContact O-CB 3.39Å; N2607-S2610 PolarHBondContact O-N 3.27Å; N2607-W2614 PolarHBondContact ND2-O 2.76Å; N2607-V2640 WeakPolarHBondContact ND2-CG1 3.43Å
2608H76.8Confident82Confident56 Ų5653.8 Ų53.826%0.25927%0.27SS..THydrogen-bonded Turntrans-53.8124.8172.7-177-146000110.5N2573 E2575 E2605 S2610N2573-H2608 PolarHBondContact ND2-O 3.1Å; E2575-H2608 HydrophobicContact CB-CB 4.44Å; E2575-H2608 IonicContact OE1-ND1 2.72Å; E2575-H2608 IonicContact OE2-CE1 2.89Å; E2575-H2608 PolarHBondContact OE2-CE1 3.49Å; E2575-H2608 IonicContact OE2-CG 3.06Å; E2575-H2608 IonicContact OE2-ND1 3.06Å; E2575-H2608 PolarHBondContact OE2-ND1 3.24Å; E2605-H2608 HydrophobicContact CG-CB 4.06Å; E2605-H2608 VanDerWaalsContact OE1-CA 3.31Å; E2605-H2608 WeakPolarHBondContact OE1-CA 3.34Å; E2605-H2608 WeakPolarHBondContact OE1-CB 3.41Å; E2605-H2608 IonicContact OE1-CD2 3.25Å; E2605-H2608 PolarHBondContact OE1-CD2 3.4Å; E2605-H2608 IonicContact OE1-CG 2.95Å; H2608-S2610 PolarHBondContact O-N 3.26Å
2609N71.9Confident82.7Confident136 Ų13660 Ų6073%0.72729%0.294SS*.THydrogen-bonded Turntrans51.521.3-174.6-60.6-51.1000116.3N2607N2607-N2609 PolarHBondContact O-N 3.16Å
2610S77Confident83.3Confident20 Ų2057.1 Ų57.114%0.1428%0.28CS..  trans-75129.1171.91200000110N2607 H2608 K2612 Y2613 R2643N2607-S2610 WeakPolarHBondContact O-CB 3.39Å; N2607-S2610 PolarHBondContact O-N 3.27Å; H2608-S2610 PolarHBondContact O-N 3.26Å; S2610-K2612 VanDerWaalsContact C-N 3.34Å; S2610-K2612 PolarHBondContact OG-N 2.83Å; S2610-Y2613 PolarHBondContact OG-N 3.09Å; S2610-Y2613 PolarHBondContact OG-O 2.91Å; S2610-Y2613 VanDerWaalsContact OG-O 3.05Å; S2610-R2643 PolarHBondContact O-NH1 3Å
2611D76.6Confident83.6Confident115 Ų11556.3 Ų56.362%0.61529%0.29SS*.SBendtrans-75.1-23.6168.4-87.2-5.8000111.1R2643 K2686D2611-R2643 WeakPolarHBondContact O-CD 3.28Å; D2611-R2643 PolarHBondContact O-NH1 3.25Å; D2611-K2686 IonicContact OD1-NZ 3.36Å; D2611-K2686 IonicContact OD2-NZ 3.94Å; D2611-K2686 PolarHBondContact OD2-NZ 3.47Å
2612K82.4Confident84.1Confident156 Ų15658.7 Ų58.768%0.67831%0.305SS*.SBendtrans-88.3-30.6-169-64.2-178.8-179.11760116.8S2610 R2643S2610-K2612 VanDerWaalsContact C-N 3.34Å; S2610-K2612 PolarHBondContact OG-N 2.83Å; K2612-R2643 PolarHBondContact O-N 3.28Å
2613Y85.6Confident84.4Confident34 Ų3463.5 Ų63.513%0.13333%0.326CS..BIsolated β-bridgetrans-131152-172-71.6-77.4000110.6V2570 S2610 V2640 Q2642V2570-Y2613 HydrophobicContact CG1-CE1 4.47Å; V2570-Y2613 HydrophobicContact CG1-CE2 3.7Å; S2610-Y2613 PolarHBondContact OG-N 3.09Å; S2610-Y2613 PolarHBondContact OG-O 2.91Å; S2610-Y2613 VanDerWaalsContact OG-O 3.05Å; Y2613-V2640 HydrophobicContact CD1-CG1 3.62Å; Y2613-V2640 HydrophobicContact CG-CG1 3.96Å; Y2613-Q2642 VanDerWaalsContact CD1-CA 3.47Å; Y2613-Q2642 HydrophobicContact CD1-CB 4.16Å; Y2613-Q2642 HydrophobicContact CD1-CG 4.45Å; Y2613-Q2642 HydrophobicContact CE1-CB 3.86Å; Y2613-Q2642 HydrophobicContact CE1-CG 4.09Å
2614W85.5Confident84.4Confident106 Ų10665.5 Ų65.540%0.40234%0.341SS..  trans-67.4132.1177.8-72.597.9000111.8N2607 K2641 Q2642 R2643 E2648N2607-W2614 PolarHBondContact ND2-O 2.76Å; W2614-K2641 PolarHBondContact N-O 3.36Å; W2614-Q2642 PolarHBondContact NE1-O 3.44Å; W2614-R2643 HydrophobicContact CD2-CG 3.97Å; W2614-R2643 HydrophobicContact CG-CG 4.13Å; W2614-R2643 HydrophobicContact CZ2-CG 4.06Å; W2614-E2648 HydrophobicContact CH2-CG 4.09Å; W2614-E2648 WeakPolarHBondContact CH2-OE1 3.47Å; W2614-E2648 HydrophobicContact CZ2-CG 3.8Å; W2614-E2648 WeakPolarHBondContact CZ2-OE1 3.32Å
2615P88.6Confident84.5Confident58 Ų5865.6 Ų65.638%0.37734%0.341SS..  trans-72.1135.417329.2-34000110.8I2606 R2643I2606-P2615 CarbonylContact O-C 3.24Å; I2606-P2615 VanDerWaalsContact O-CA 3.22Å; I2606-P2615 WeakPolarHBondContact O-CA 3.09Å; P2615-R2643 VanDerWaalsContact CD-NH2 3.31Å
2616T87.1Confident84.4Confident42 Ų4268.2 Ų68.226%0.25836%0.356SS..EExtended strand (participates in β ladder)trans-130.1121.4178.563.30000110.4I2606I2606-T2616 PolarHBondContact N-O 3.46Å; I2606-T2616 PolarHBondContact O-N 2.82Å
2617V88.8Confident84.5Confident48 Ų4873.7 Ų73.729%0.29139%0.385SS..EExtended strand (participates in β ladder)trans-111.4129.7-177.5-170.50000111W2603 L2604 E2605 Y2619W2603-V2617 HydrophobicContact CB-CG1 4.4Å; L2604-V2617 CarbonylContact O-C 3.56Å; L2604-V2617 WeakPolarHBondContact O-CA 3.29Å; E2605-V2617 HydrophobicContact CB-CG2 4.13Å; E2605-V2617 HydrophobicContact CG-CG2 3.86Å; V2617-Y2619 HydrophobicContact CB-CE2 4.18Å; V2617-Y2619 HydrophobicContact CG1-CD1 4.37Å; V2617-Y2619 HydrophobicContact CG1-CD2 4.2Å; V2617-Y2619 HydrophobicContact CG1-CE1 3.88Å; V2617-Y2619 HydrophobicContact CG1-CE2 3.7Å
2618F88.6Confident84.8Confident36 Ų3673.7 Ų73.716%0.15839%0.385CS..EExtended strand (participates in β ladder)trans-112.2107176.7-61.5-93.2000109.6W2603 L2604 I2606 N2624 W2625 F2628 I2638W2603-F2618 WeakPolarHBondContact CA-O 3.33Å; L2604-F2618 PolarHBondContact N-O 3.31Å; L2604-F2618 PolarHBondContact O-N 3.43Å; I2606-F2618 HydrophobicContact CD1-CD2 4.48Å; I2606-F2618 HydrophobicContact CD1-CE2 3.82Å; I2606-F2618 HydrophobicContact CG1-CE2 4.42Å; F2618-N2624 HydrophobicContact CD1-CB 4.28Å; F2618-W2625 HydrophobicContact CB-CE3 3.92Å; F2618-W2625 HydrophobicContact CB-CZ3 4.16Å; F2618-F2628 HydrophobicContact CD1-CB 3.94Å; F2618-F2628 HydrophobicContact CD1-CG 4.45Å; F2618-F2628 HydrophobicContact CE1-CB 4.2Å; F2618-I2638 HydrophobicContact CE2-CG2 4.5Å; F2618-I2638 HydrophobicContact CZ-CG2 4.29Å
2619Y87.8Confident85.2Confident135 Ų13573.3 Ų73.353%0.52938%0.383SS..EExtended strand (participates in β ladder)trans-88.6132.2176.8-63.5-76.4000111.7W2603 V2617 G2621 T2622W2603-Y2619 HydrophobicContact CB-CD1 3.76Å; W2603-Y2619 HydrophobicContact CB-CE1 4.11Å; W2603-Y2619 HydrophobicContact CG-CD1 4.4Å; W2603-Y2619 HydrophobicContact CG-CE1 4.37Å; V2617-Y2619 HydrophobicContact CB-CE2 4.18Å; V2617-Y2619 HydrophobicContact CG1-CD1 4.37Å; V2617-Y2619 HydrophobicContact CG1-CD2 4.2Å; V2617-Y2619 HydrophobicContact CG1-CE1 3.88Å; V2617-Y2619 HydrophobicContact CG1-CE2 3.7Å; Y2619-G2621 PolarHBondContact O-N 3.45Å; Y2619-T2622 WeakPolarHBondContact O-CG2 3.29Å; Y2619-T2622 PolarHBondContact O-N 2.87Å; Y2619-T2622 PolarHBondContact O-OG1 3.01Å
2620H86Confident85.8Confident52 Ų5272.2 Ų72.224%0.24138%0.375CS..THydrogen-bonded Turntrans-59.7134.2179.9-173-55.7000111.9R2579 M2601 A2602 W2625R2579-H2620 PolarHBondContact NH1-CE1 3.47Å; R2579-H2620 PolarHBondContact NH1-NE2 2.99Å; R2579-H2620 PolarHBondContact NH2-ND1 2.82Å; R2579-H2620 VanDerWaalsContact NH2-ND1 3.16Å; M2601-H2620 VanDerWaalsContact O-CB 3.26Å; M2601-H2620 WeakPolarHBondContact O-CB 3.49Å; M2601-H2620 PolarHBondContact O-CD2 2.97Å; M2601-H2620 VanDerWaalsContact O-CD2 3.24Å; A2602-H2620 WeakPolarHBondContact O-CB 3.43Å; A2602-H2620 PolarHBondContact O-N 3.01Å; H2620-W2625 HydrophobicContact CB-CD2 4.27Å; H2620-W2625 HydrophobicContact CB-CG 4.49Å; H2620-W2625 AromaticContact CD2-CD1 4Å; H2620-W2625 AromaticContact CD2-CE2 3.61Å; H2620-W2625 AromaticContact CD2-CZ2 3.89Å; H2620-W2625 AromaticContact CD2-NE1 3.24Å; H2620-W2625 PolarHBondContact CD2-NE1 3.31Å; H2620-W2625 AromaticContact CG-NE1 3.68Å; H2620-W2625 AromaticContact NE2-NE1 3.51Å
2621G83.3Confident86.2Confident60 Ų6073.9 Ų73.962%0.61938%0.384SS*.THydrogen-bonded Turntrans91.3-4.7178.400000114.4Y2619Y2619-G2621 PolarHBondContact O-N 3.45Å
2622T89Confident86.6Confident52 Ų5268.8 Ų68.832%0.31936%0.356SS..SBendtrans-79158.8167.463.80000111.4Y2619 N2624 W2625 N2626Y2619-T2622 WeakPolarHBondContact O-CG2 3.29Å; Y2619-T2622 PolarHBondContact O-N 2.87Å; Y2619-T2622 PolarHBondContact O-OG1 3.01Å; T2622-N2624 PolarHBondContact O-N 2.93Å; T2622-W2625 VanDerWaalsContact O-CB 3.29Å; T2622-W2625 WeakPolarHBondContact O-CB 3.38Å; T2622-W2625 PolarHBondContact O-N 3.4Å; T2622-W2625 PolarHBondContact OG1-N 2.88Å; T2622-N2626 PolarHBondContact O-N 2.95Å
2623N88.5Confident86.6Confident133 Ų13365.9 Ų65.971%0.71134%0.342SS*.Hα-helixtrans-58.1-31.3171.2-72.3-10.6000112.1W2625 N2626 L2627N2623-W2625 VanDerWaalsContact C-N 3.28Å; N2623-W2625 PolarHBondContact O-N 3.43Å; N2623-N2626 PolarHBondContact O-N 2.88Å; N2623-L2627 PolarHBondContact O-N 3.48Å
2624N87.1Confident86.3Confident98 Ų9869.8 Ų69.852%0.52436%0.359SS..Hα-helixtrans-63.2-34.5175.5-60.93.6000111.6F2618 T2622 F2628F2618-N2624 HydrophobicContact CD1-CB 4.28Å; T2622-N2624 PolarHBondContact O-N 2.93Å; N2624-F2628 VanDerWaalsContact O-CB 3.29Å; N2624-F2628 WeakPolarHBondContact O-CB 3.36Å; N2624-F2628 PolarHBondContact O-N 2.63Å
2625W87.4Confident85.9Confident3 Ų365.7 Ų65.71%0.01135%0.348CS..Hα-helixtrans-66.9-40.7173.8-170.1-106.8000112.5L2598 M2601 L2604 F2618 H2620 T2622 N2623 F2628 K2629L2598-W2625 HydrophobicContact CD1-CH2 3.77Å; L2598-W2625 HydrophobicContact CD1-CZ2 3.6Å; L2598-W2625 HydrophobicContact CG-CH2 4.44Å; L2598-W2625 HydrophobicContact CG-CZ2 3.78Å; L2598-W2625 WeakPolarHBondContact O-CZ2 3.43Å; M2601-W2625 HydrophobicContact CB-CH2 3.92Å; M2601-W2625 HydrophobicContact CB-CZ2 4.19Å; L2604-W2625 HydrophobicContact CB-CZ3 4.21Å; F2618-W2625 HydrophobicContact CB-CE3 3.92Å; F2618-W2625 HydrophobicContact CB-CZ3 4.16Å; H2620-W2625 HydrophobicContact CB-CD2 4.27Å; H2620-W2625 HydrophobicContact CB-CG 4.49Å; H2620-W2625 AromaticContact CD2-CD1 4Å; H2620-W2625 AromaticContact CD2-CE2 3.61Å; H2620-W2625 AromaticContact CD2-CZ2 3.89Å; H2620-W2625 AromaticContact CD2-NE1 3.24Å; H2620-W2625 PolarHBondContact CD2-NE1 3.31Å; H2620-W2625 AromaticContact CG-NE1 3.68Å; H2620-W2625 AromaticContact NE2-NE1 3.51Å; T2622-W2625 VanDerWaalsContact O-CB 3.29Å; T2622-W2625 WeakPolarHBondContact O-CB 3.38Å; T2622-W2625 PolarHBondContact O-N 3.4Å; T2622-W2625 PolarHBondContact OG1-N 2.88Å; N2623-W2625 VanDerWaalsContact C-N 3.28Å; N2623-W2625 PolarHBondContact O-N 3.43Å; W2625-F2628 HydrophobicContact CD2-CD1 4.48Å; W2625-F2628 AromaticContact CE3-CD1 3.97Å; W2625-F2628 HydrophobicContact CE3-CD1 3.97Å; W2625-F2628 HydrophobicContact CH2-CD1 4.37Å; W2625-F2628 HydrophobicContact CH2-CE1 4.23Å; W2625-F2628 AromaticContact CZ3-CD1 3.91Å; W2625-F2628 HydrophobicContact CZ3-CD1 3.91Å; W2625-F2628 HydrophobicContact CZ3-CE1 4.09Å; W2625-F2628 PolarHBondContact O-N 2.69Å; W2625-K2629 WeakPolarHBondContact O-CB 3.38Å; W2625-K2629 PolarHBondContact O-N 3.01Å
2626N87Confident85.6Confident90 Ų9063.1 Ų63.148%0.48133%0.332SS..Hα-helixtrans-68.7-38.9177-68.7-22.8000111.6T2622 N2623 K2629 M2630T2622-N2626 PolarHBondContact O-N 2.95Å; N2623-N2626 PolarHBondContact O-N 2.88Å; N2626-K2629 PolarHBondContact O-N 3.29Å; N2626-M2630 VanDerWaalsContact O-CG 3.32Å; N2626-M2630 WeakPolarHBondContact O-CG 3.22Å; N2626-M2630 PolarHBondContact O-N 2.72Å; N2626-M2630 VanDerWaalsContact O-N 3.1Å
2627L87.8Confident85.6Confident115 Ų11566.1 Ų66.160%0.60234%0.339SS*.Hα-helixtrans-62.8-45.4171.5-176.962.6000111.2N2623 M2630 T2631N2623-L2627 PolarHBondContact O-N 3.48Å; L2627-M2630 PolarHBondContact O-N 3.06Å; L2627-T2631 PolarHBondContact O-N 2.98Å; L2627-T2631 PolarHBondContact O-OG1 3.36Å
2628F87.1Confident85.7Confident3 Ų364.5 Ų64.51%0.01333%0.329CS..Hα-helixtrans-59.8-47.8175.1169-124000112.1V2559 F2593 L2598 L2604 F2618 N2624 W2625 M2630 T2631 F2632 I2638V2559-F2628 HydrophobicContact CG2-CZ 4.43Å; F2593-F2628 HydrophobicContact CE2-CZ 4.17Å; F2593-F2628 HydrophobicContact CZ-CE1 4.27Å; F2593-F2628 AromaticContact CZ-CZ 3.87Å; F2593-F2628 HydrophobicContact CZ-CZ 3.87Å; L2598-F2628 HydrophobicContact CD1-CE1 4.14Å; L2604-F2628 HydrophobicContact CD2-CE1 3.81Å; L2604-F2628 HydrophobicContact CD2-CE2 4.4Å; L2604-F2628 HydrophobicContact CD2-CZ 3.72Å; F2618-F2628 HydrophobicContact CD1-CB 3.94Å; F2618-F2628 HydrophobicContact CD1-CG 4.45Å; F2618-F2628 HydrophobicContact CE1-CB 4.2Å; N2624-F2628 VanDerWaalsContact O-CB 3.29Å; N2624-F2628 WeakPolarHBondContact O-CB 3.36Å; N2624-F2628 PolarHBondContact O-N 2.63Å; W2625-F2628 HydrophobicContact CD2-CD1 4.48Å; W2625-F2628 AromaticContact CE3-CD1 3.97Å; W2625-F2628 HydrophobicContact CE3-CD1 3.97Å; W2625-F2628 HydrophobicContact CH2-CD1 4.37Å; W2625-F2628 HydrophobicContact CH2-CE1 4.23Å; W2625-F2628 AromaticContact CZ3-CD1 3.91Å; W2625-F2628 HydrophobicContact CZ3-CD1 3.91Å; W2625-F2628 HydrophobicContact CZ3-CE1 4.09Å; W2625-F2628 PolarHBondContact O-N 2.69Å; F2628-M2630 PolarHBondContact O-N 2.93Å; F2628-T2631 PolarHBondContact O-N 3.44Å; F2628-T2631 VanDerWaalsContact O-N 3.15Å; F2628-T2631 PolarHBondContact O-OG1 3.2Å; F2628-T2631 VanDerWaalsContact O-OG1 3.08Å; F2628-F2632 HydrophobicContact CD2-CB 4.31Å; F2628-F2632 HydrophobicContact CE2-CB 3.85Å; F2628-F2632 HydrophobicContact CE2-CG 4.45Å; F2628-F2632 HydrophobicContact CZ-CB 4.2Å; F2628-F2632 HydrophobicContact CZ-CD2 4.5Å; F2628-F2632 HydrophobicContact CZ-CG 4.4Å; F2628-F2632 WeakPolarHBondContact O-CB 3.41Å; F2628-F2632 PolarHBondContact O-N 2.93Å; F2628-I2638 HydrophobicContact CD2-CD1 3.91Å; F2628-I2638 HydrophobicContact CD2-CG1 4.4Å; F2628-I2638 HydrophobicContact CE2-CD1 3.58Å; F2628-I2638 HydrophobicContact CE2-CG1 4.26Å; F2628-I2638 HydrophobicContact CZ-CD1 4.47Å
2629K86.1Confident85.7Confident48 Ų4869.5 Ų69.521%0.20935%0.351CS..Hα-helixtrans-55.1-38.8175.6-173.2169.5-176.4-172.50111.5L2598 E2599 W2625 N2626 Y2633L2598-K2629 HydrophobicContact CD2-CB 4.24Å; L2598-K2629 HydrophobicContact CD2-CD 4.36Å; L2598-K2629 HydrophobicContact CD2-CG 3.94Å; E2599-K2629 IonicContact OE1-NZ 2.65Å; E2599-K2629 PolarHBondContact OE1-NZ 3.38Å; W2625-K2629 WeakPolarHBondContact O-CB 3.38Å; W2625-K2629 PolarHBondContact O-N 3.01Å; N2626-K2629 PolarHBondContact O-N 3.29Å; K2629-Y2633 HydrophobicContact CD-CE2 4.33Å; K2629-Y2633 HydrophobicContact CG-CD2 4.14Å; K2629-Y2633 HydrophobicContact CG-CE2 3.55Å; K2629-Y2633 WeakPolarHBondContact O-CD2 3.38Å; K2629-Y2633 PolarHBondContact O-N 3.25Å
2630M85.2Confident85.8Confident113 Ų11363.3 Ų63.356%0.55733%0.327SS*.Hα-helixtrans-73-39.5176.4-70.4-70.1168.100114.1N2626 L2627 F2628 K2634N2626-M2630 VanDerWaalsContact O-CG 3.32Å; N2626-M2630 WeakPolarHBondContact O-CG 3.22Å; N2626-M2630 PolarHBondContact O-N 2.72Å; N2626-M2630 VanDerWaalsContact O-N 3.1Å; L2627-M2630 PolarHBondContact O-N 3.06Å; F2628-M2630 PolarHBondContact O-N 2.93Å; M2630-K2634 WeakPolarHBondContact O-CB 3.43Å; M2630-K2634 WeakPolarHBondContact O-CG 3.42Å; M2630-K2634 PolarHBondContact O-N 3.18Å
2631T84.4Confident86Confident54 Ų5463.6 Ų63.633%0.33133%0.328SS..Hα-helixtrans-73.2-33.6175.857.50000112L2627 F2628 A2635 G2636L2627-T2631 PolarHBondContact O-N 2.98Å; L2627-T2631 PolarHBondContact O-OG1 3.36Å; F2628-T2631 PolarHBondContact O-N 3.44Å; F2628-T2631 VanDerWaalsContact O-N 3.15Å; F2628-T2631 PolarHBondContact O-OG1 3.2Å; F2628-T2631 VanDerWaalsContact O-OG1 3.08Å; T2631-A2635 CarbonylContact O-C 3.58Å; T2631-A2635 VanDerWaalsContact O-CA 3.31Å; T2631-A2635 WeakPolarHBondContact O-CA 3.35Å; T2631-A2635 VanDerWaalsContact O-CB 3.26Å; T2631-A2635 WeakPolarHBondContact O-CB 3.5Å; T2631-A2635 PolarHBondContact O-N 3.46Å; T2631-G2636 PolarHBondContact O-N 3.02Å
2632F85Confident86.1Confident8 Ų864.6 Ų64.64%0.03532%0.316CS..Hα-helixtrans-58.2-58.8175.8169.9-118.9000111.9P2556 V2559 F2593 L2598 F2628 K2634 G2636P2556-F2632 WeakPolarHBondContact O-CZ 3.07Å; V2559-F2632 HydrophobicContact CG2-CD2 3.96Å; V2559-F2632 HydrophobicContact CG2-CE2 4.08Å; F2593-F2632 HydrophobicContact CD2-CD2 4.49Å; F2593-F2632 HydrophobicContact CD2-CE1 4.46Å; F2593-F2632 AromaticContact CD2-CE2 3.53Å; F2593-F2632 HydrophobicContact CD2-CE2 3.53Å; F2593-F2632 AromaticContact CD2-CZ 3.5Å; F2593-F2632 HydrophobicContact CD2-CZ 3.5Å; F2593-F2632 VanDerWaalsContact CD2-CZ 3.5Å; F2593-F2632 AromaticContact CE2-CD2 3.96Å; F2593-F2632 HydrophobicContact CE2-CD2 3.96Å; F2593-F2632 HydrophobicContact CE2-CE1 4.48Å; F2593-F2632 AromaticContact CE2-CE2 3.43Å; F2593-F2632 HydrophobicContact CE2-CE2 3.43Å; F2593-F2632 VanDerWaalsContact CE2-CE2 3.43Å; F2593-F2632 AromaticContact CE2-CZ 3.71Å; F2593-F2632 HydrophobicContact CE2-CZ 3.71Å; L2598-F2632 HydrophobicContact CD2-CD1 3.94Å; L2598-F2632 HydrophobicContact CD2-CE1 4.14Å; F2628-F2632 HydrophobicContact CD2-CB 4.31Å; F2628-F2632 HydrophobicContact CE2-CB 3.85Å; F2628-F2632 HydrophobicContact CE2-CG 4.45Å; F2628-F2632 HydrophobicContact CZ-CB 4.2Å; F2628-F2632 HydrophobicContact CZ-CD2 4.5Å; F2628-F2632 HydrophobicContact CZ-CG 4.4Å; F2628-F2632 WeakPolarHBondContact O-CB 3.41Å; F2628-F2632 PolarHBondContact O-N 2.93Å; F2632-K2634 PolarHBondContact O-N 3.29Å; F2632-G2636 WeakPolarHBondContact O-CA 3.5Å; F2632-G2636 PolarHBondContact O-N 2.92Å
2633Y81.9Confident85.9Confident95 Ų9565 Ų6537%0.37331%0.312SS..Hα-helixtrans-62-46.7-179.7-65.7-56.5000112.4R2511 P2556 K2629R2511-Y2633 PolarHBondContact NH2-O 2.86Å; P2556-Y2633 HydrophobicContact CG-CD1 4.15Å; K2629-Y2633 HydrophobicContact CD-CE2 4.33Å; K2629-Y2633 HydrophobicContact CG-CD2 4.14Å; K2629-Y2633 HydrophobicContact CG-CE2 3.55Å; K2629-Y2633 WeakPolarHBondContact O-CD2 3.38Å; K2629-Y2633 PolarHBondContact O-N 3.25Å
2634K79.3Confident85.3Confident117 Ų11761.7 Ų61.751%0.50929%0.294SS..Hα-helixtrans-77.2-26.8-174.7-65.7-179.8178.1-1780115.1M2630 F2632M2630-K2634 WeakPolarHBondContact O-CB 3.43Å; M2630-K2634 WeakPolarHBondContact O-CG 3.42Å; M2630-K2634 PolarHBondContact O-N 3.18Å; F2632-K2634 PolarHBondContact O-N 3.29Å
2635A78.7Confident84.4Confident20 Ų2064.7 Ų64.717%0.16531%0.305CS..THydrogen-bonded Turntrans-135.9-44.4-169.800000113.2R2511 T2631 Y2637R2511-A2635 PolarHBondContact NH1-O 2.94Å; R2511-A2635 PolarHBondContact NH2-O 2.95Å; T2631-A2635 CarbonylContact O-C 3.58Å; T2631-A2635 VanDerWaalsContact O-CA 3.31Å; T2631-A2635 WeakPolarHBondContact O-CA 3.35Å; T2631-A2635 VanDerWaalsContact O-CB 3.26Å; T2631-A2635 WeakPolarHBondContact O-CB 3.5Å; T2631-A2635 PolarHBondContact O-N 3.46Å; A2635-Y2637 HydrophobicContact CB-CD2 4.3Å; A2635-Y2637 WeakPolarHBondContact O-CD2 3.33Å; A2635-Y2637 WeakPolarHBondContact O-CE2 3.05Å; A2635-Y2637 PolarHBondContact O-N 3.37Å
2636G81.9Confident83.4Confident4 Ų466.6 Ų66.64%0.04133%0.326CS..  trans68.711.9-176.500000114V2559 C2560 T2631 F2632V2559-G2636 WeakPolarHBondContact CA-O 3.35Å; C2560-G2636 PolarHBondContact N-O 3.29Å; T2631-G2636 PolarHBondContact O-N 3.02Å; F2632-G2636 WeakPolarHBondContact O-CA 3.5Å; F2632-G2636 PolarHBondContact O-N 2.92Å
2637Y87.3Confident82.4Confident104 Ų10467 Ų6741%0.40832%0.324SS..EExtended strand (participates in β ladder)trans-113.4136.2177.3-61.2-69.5000109.4C2560 V2562 V2569 A2635C2560-Y2637 HydrophobicContact CB-CD1 3.9Å; C2560-Y2637 HydrophobicContact CB-CE1 4.14Å; C2560-Y2637 WeakPolarHBondContact O-CA 3.39Å; V2562-Y2637 HydrophobicContact CG2-CD1 3.56Å; V2562-Y2637 HydrophobicContact CG2-CE1 4.45Å; V2562-Y2637 HydrophobicContact CG2-CG 3.98Å; V2569-Y2637 HydrophobicContact CG2-CD1 4.33Å; V2569-Y2637 HydrophobicContact CG2-CE1 3.91Å; A2635-Y2637 HydrophobicContact CB-CD2 4.3Å; A2635-Y2637 WeakPolarHBondContact O-CD2 3.33Å; A2635-Y2637 WeakPolarHBondContact O-CE2 3.05Å; A2635-Y2637 PolarHBondContact O-N 3.37Å
2638I89.3Confident81.4Confident14 Ų1464.8 Ų64.87%0.07231%0.311CS..EExtended strand (participates in β ladder)trans-120.3131.7173.7-56.1176000108V2559 C2560 A2561 V2562 I2606 F2618 F2628V2559-I2638 HydrophobicContact CG1-CD1 3.44Å; V2559-I2638 VanDerWaalsContact CG1-CD1 3.44Å; V2559-I2638 HydrophobicContact CG1-CG1 3.89Å; C2560-I2638 PolarHBondContact O-N 3.05Å; A2561-I2638 CarbonylContact C-O 3.46Å; A2561-I2638 WeakPolarHBondContact CA-O 3.43Å; V2562-I2638 PolarHBondContact N-O 3.34Å; I2606-I2638 HydrophobicContact CD1-CB 4.19Å; I2606-I2638 HydrophobicContact CD1-CD1 3.49Å; I2606-I2638 VanDerWaalsContact CD1-CD1 3.49Å; I2606-I2638 HydrophobicContact CD1-CG1 4.45Å; I2606-I2638 HydrophobicContact CD1-CG2 3.75Å; F2618-I2638 HydrophobicContact CE2-CG2 4.5Å; F2618-I2638 HydrophobicContact CZ-CG2 4.29Å; F2628-I2638 HydrophobicContact CD2-CD1 3.91Å; F2628-I2638 HydrophobicContact CD2-CG1 4.4Å; F2628-I2638 HydrophobicContact CE2-CD1 3.58Å; F2628-I2638 HydrophobicContact CE2-CG1 4.26Å; F2628-I2638 HydrophobicContact CZ-CD1 4.47Å
2639F90.3Very high80.4Confident142 Ų14267.2 Ų67.262%0.62332%0.324SS*.EExtended strand (participates in β ladder)trans-80.6133.8178.3-70.5-72.9000111.5V2562 V2564V2562-F2639 HydrophobicContact CB-CD1 4.06Å; V2562-F2639 HydrophobicContact CB-CE1 4.13Å; V2562-F2639 HydrophobicContact CG1-CD1 3.97Å; V2562-F2639 HydrophobicContact CG1-CE1 3.72Å; V2562-F2639 CarbonylContact O-C 3.57Å; V2562-F2639 WeakPolarHBondContact O-CA 3.32Å; V2564-F2639 HydrophobicContact CG2-CB 3.85Å; V2564-F2639 HydrophobicContact CG2-CD1 4.4Å
2640V89.8Confident79.5Confident4 Ų469.9 Ų69.92%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-129.7135.3-179.8176.10000107.7A2561 V2562 D2563 V2564 I2606 N2607 Y2613A2561-V2640 HydrophobicContact CB-CG2 3.81Å; V2562-V2640 PolarHBondContact O-N 3.41Å; D2563-V2640 CarbonylContact C-O 3.39Å; D2563-V2640 VanDerWaalsContact CA-O 3.32Å; D2563-V2640 WeakPolarHBondContact CA-O 3.27Å; V2564-V2640 WeakPolarHBondContact CG2-O 3.15Å; V2564-V2640 PolarHBondContact N-O 3.44Å; I2606-V2640 HydrophobicContact CG2-CG2 4.44Å; N2607-V2640 WeakPolarHBondContact ND2-CG1 3.43Å; Y2613-V2640 HydrophobicContact CD1-CG1 3.62Å; Y2613-V2640 HydrophobicContact CG-CG1 3.96Å
2641K89.4Confident78.9Confident59 Ų5969.3 Ų69.326%0.25734%0.343SS..PPolyproline II helixtrans-94.3139.2170.5-158.3-162.5171.1178.70110.4D2565 W2614 E2647D2565-K2641 VanDerWaalsContact OD2-CE 3.28Å; D2565-K2641 WeakPolarHBondContact OD2-CE 3.27Å; D2565-K2641 VanDerWaalsContact OD2-CG 3.26Å; D2565-K2641 WeakPolarHBondContact OD2-CG 3.4Å; W2614-K2641 PolarHBondContact N-O 3.36Å; K2641-E2647 IonicContact NZ-OE1 3.58Å; K2641-E2647 PolarHBondContact NZ-OE1 2.96Å; K2641-E2647 IonicContact NZ-OE2 2.65Å; K2641-E2647 PolarHBondContact NZ-OE2 3.38Å
2642Q86.4Confident78.1Confident81 Ų8169.5 Ų69.538%0.37934%0.342SS..BIsolated β-bridgetrans-58.5152.3164.2-160.3179.1-84.500111Y2613 W2614 D2644Y2613-Q2642 VanDerWaalsContact CD1-CA 3.47Å; Y2613-Q2642 HydrophobicContact CD1-CB 4.16Å; Y2613-Q2642 HydrophobicContact CD1-CG 4.45Å; Y2613-Q2642 HydrophobicContact CE1-CB 3.86Å; Y2613-Q2642 HydrophobicContact CE1-CG 4.09Å; W2614-Q2642 PolarHBondContact NE1-O 3.44Å; Q2642-D2644 PolarHBondContact NE2-OD1 3.33Å
2643R83.1Confident77.4Confident61 Ų6172.8 Ų72.823%0.2336%0.357CS..PPolyproline II helixtrans-85.3122.1164-79.4-172.3-179133.51.3110.2S2610 D2611 K2612 W2614 P2615 E2648S2610-R2643 PolarHBondContact O-NH1 3Å; D2611-R2643 WeakPolarHBondContact O-CD 3.28Å; D2611-R2643 PolarHBondContact O-NH1 3.25Å; K2612-R2643 PolarHBondContact O-N 3.28Å; W2614-R2643 HydrophobicContact CD2-CG 3.97Å; W2614-R2643 HydrophobicContact CG-CG 4.13Å; W2614-R2643 HydrophobicContact CZ2-CG 4.06Å; P2615-R2643 VanDerWaalsContact CD-NH2 3.31Å; R2643-E2648 WeakPolarHBondContact CD-OE1 3.37Å; R2643-E2648 WeakPolarHBondContact CG-OE1 3.21Å; R2643-E2648 IonicContact NE-OE1 2.74Å
2644D77.6Confident77.1Confident62 Ų6271.9 Ų71.933%0.33237%0.365SS..  trans-102.6105.2165.6-69.3-34.2000108.5Q2642 G2646 E2647 E2648Q2642-D2644 PolarHBondContact NE2-OD1 3.33Å; D2644-G2646 PolarHBondContact O-N 2.95Å; D2644-E2647 HydrophobicContact CB-CB 4.05Å; D2644-E2647 HydrophobicContact CB-CG 3.99Å; D2644-E2647 PolarHBondContact O-N 2.98Å; D2644-E2648 PolarHBondContact O-N 3.42Å
2645E68.3Low76.9Confident162 Ų16271.9 Ų71.976%0.75736%0.362SS*.Hα-helixtrans-52.7-30177.4-62.7-174162.700111.9L2649E2645-L2649 WeakPolarHBondContact O-CB 3.27Å; E2645-L2649 PolarHBondContact O-N 3.28Å
2646G65Low76.7Confident43 Ų4371.4 Ų71.444%0.44336%0.357SS..Hα-helixtrans-71-38.3174.100000114.5D2644 N2650D2644-G2646 PolarHBondContact O-N 2.95Å; G2646-N2650 VanDerWaalsContact O-CB 3.29Å; G2646-N2650 WeakPolarHBondContact O-CB 3.21Å; G2646-N2650 PolarHBondContact O-N 3.46Å; G2646-N2650 PolarHBondContact O-ND2 3.01Å; G2646-N2650 VanDerWaalsContact O-ND2 3.1Å
2647E67.3Low76.3Confident97 Ų9775.9 Ų75.945%0.45338%0.376SS..Hα-helixtrans-65.9-44.7170.4-76.8-166161.600110.2K2641 D2644 L2649 N2650 V2651K2641-E2647 IonicContact NZ-OE1 3.58Å; K2641-E2647 PolarHBondContact NZ-OE1 2.96Å; K2641-E2647 IonicContact NZ-OE2 2.65Å; K2641-E2647 PolarHBondContact NZ-OE2 3.38Å; D2644-E2647 HydrophobicContact CB-CB 4.05Å; D2644-E2647 HydrophobicContact CB-CG 3.99Å; D2644-E2647 PolarHBondContact O-N 2.98Å; E2647-L2649 PolarHBondContact O-N 2.84Å; E2647-N2650 PolarHBondContact O-N 3.19Å; E2647-V2651 WeakPolarHBondContact O-CB 3.39Å; E2647-V2651 WeakPolarHBondContact O-CG2 3.25Å; E2647-V2651 PolarHBondContact O-N 3.08Å
2648E66Low75.9Confident70 Ų7075 Ų7533%0.32738%0.376SS..Hα-helixtrans-56.5-50.4176.9-69.6-175.7-157.500111.1W2614 R2643 D2644 N2650 V2651 L2652W2614-E2648 HydrophobicContact CH2-CG 4.09Å; W2614-E2648 WeakPolarHBondContact CH2-OE1 3.47Å; W2614-E2648 HydrophobicContact CZ2-CG 3.8Å; W2614-E2648 WeakPolarHBondContact CZ2-OE1 3.32Å; R2643-E2648 WeakPolarHBondContact CD-OE1 3.37Å; R2643-E2648 WeakPolarHBondContact CG-OE1 3.21Å; R2643-E2648 IonicContact NE-OE1 2.74Å; D2644-E2648 PolarHBondContact O-N 3.42Å; E2648-N2650 VanDerWaalsContact C-N 3.32Å; E2648-N2650 PolarHBondContact O-N 3.42Å; E2648-V2651 PolarHBondContact O-N 2.9Å; E2648-L2652 WeakPolarHBondContact O-CB 3.45Å; E2648-L2652 PolarHBondContact O-N 3.32Å
2649L66Low75.1Confident54 Ų5475 Ų7528%0.28338%0.377SS..Hα-helixtrans-62.9-35.1177.8-116.5160.9000112.9E2645 E2647 Q2653 L2709E2645-L2649 WeakPolarHBondContact O-CB 3.27Å; E2645-L2649 PolarHBondContact O-N 3.28Å; E2647-L2649 PolarHBondContact O-N 2.84Å; L2649-Q2653 HydrophobicContact CD2-CG 4.43Å; L2649-Q2653 VanDerWaalsContact O-CB 3.23Å; L2649-Q2653 WeakPolarHBondContact O-CB 3.32Å; L2649-Q2653 WeakPolarHBondContact O-CG 3.19Å; L2649-Q2653 PolarHBondContact O-N 3.33Å; L2649-Q2653 PolarHBondContact O-NE2 3.08Å; L2649-L2709 HydrophobicContact CD2-CD1 4.48Å
2650N68Low74.3Confident103 Ų10369.2 Ų69.255%0.55135%0.352SS*.Hα-helixtrans-75.1-42.2179.3-73.3-21.7000112.5G2646 E2647 E2648 Q2653 S2654G2646-N2650 VanDerWaalsContact O-CB 3.29Å; G2646-N2650 WeakPolarHBondContact O-CB 3.21Å; G2646-N2650 PolarHBondContact O-N 3.46Å; G2646-N2650 PolarHBondContact O-ND2 3.01Å; G2646-N2650 VanDerWaalsContact O-ND2 3.1Å; E2647-N2650 PolarHBondContact O-N 3.19Å; E2648-N2650 VanDerWaalsContact C-N 3.32Å; E2648-N2650 PolarHBondContact O-N 3.42Å; N2650-Q2653 PolarHBondContact O-N 3.44Å; N2650-S2654 WeakPolarHBondContact O-CB 3.43Å; N2650-S2654 PolarHBondContact O-N 2.99Å
2651V70.9Confident73.7Confident102 Ų10275.7 Ų75.762%0.61838%0.38SS*.Hα-helixtrans-65.6-43.1174.9171.90000110.3E2647 E2648 S2654 W2655E2647-V2651 WeakPolarHBondContact O-CB 3.39Å; E2647-V2651 WeakPolarHBondContact O-CG2 3.25Å; E2647-V2651 PolarHBondContact O-N 3.08Å; E2648-V2651 PolarHBondContact O-N 2.9Å; V2651-S2654 PolarHBondContact O-N 3.16Å; V2651-W2655 WeakPolarHBondContact O-CB 3.25Å; V2651-W2655 PolarHBondContact O-N 2.87Å
2652L68.9Low73.1Confident58 Ų5878.1 Ų78.130%0.30439%0.393SS..Hα-helixtrans-64.1-42.2175.9-154.3-178.9000110.6E2648 L2656 L2709E2648-L2652 WeakPolarHBondContact O-CB 3.45Å; E2648-L2652 PolarHBondContact O-N 3.32Å; L2652-L2656 HydrophobicContact CD2-CD1 3.44Å; L2652-L2656 VanDerWaalsContact CD2-CD1 3.44Å; L2652-L2656 HydrophobicContact CD2-CG 3.7Å; L2652-L2656 WeakPolarHBondContact O-CB 3.29Å; L2652-L2656 VanDerWaalsContact O-CG 3.26Å; L2652-L2656 WeakPolarHBondContact O-CG 3.46Å; L2652-L2656 PolarHBondContact O-N 2.82Å; L2652-L2709 HydrophobicContact CD1-CD2 3.8Å; L2652-L2709 HydrophobicContact CD2-CD2 3.93Å
2653Q70.2Confident72.6Confident76 Ų7675.2 Ų75.236%0.35538%0.378SS..Hα-helixtrans-60.4-50171.9-82.8174.870.600112.3L2649 N2650 W2655 L2656 E2657L2649-Q2653 HydrophobicContact CD2-CG 4.43Å; L2649-Q2653 VanDerWaalsContact O-CB 3.23Å; L2649-Q2653 WeakPolarHBondContact O-CB 3.32Å; L2649-Q2653 WeakPolarHBondContact O-CG 3.19Å; L2649-Q2653 PolarHBondContact O-N 3.33Å; L2649-Q2653 PolarHBondContact O-NE2 3.08Å; N2650-Q2653 PolarHBondContact O-N 3.44Å; Q2653-W2655 VanDerWaalsContact C-N 3.33Å; Q2653-W2655 PolarHBondContact O-N 2.9Å; Q2653-L2656 PolarHBondContact O-N 3.25Å; Q2653-L2656 VanDerWaalsContact O-N 3.16Å; Q2653-E2657 WeakPolarHBondContact O-CG 3.36Å; Q2653-E2657 PolarHBondContact O-N 3.21Å
2654S74.6Confident72Confident76 Ų7674.5 Ų74.553%0.53138%0.378SS..Hα-helixtrans-60.2-42.2179.7-173.20000112N2650 V2651 E2657 E2658N2650-S2654 WeakPolarHBondContact O-CB 3.43Å; N2650-S2654 PolarHBondContact O-N 2.99Å; V2651-S2654 PolarHBondContact O-N 3.16Å; S2654-E2657 PolarHBondContact O-N 3.49Å; S2654-E2658 PolarHBondContact O-N 3.3Å
2655W76.7Confident72Confident117 Ų11774.9 Ų74.944%0.44338%0.381SS..Hα-helixtrans-65.9-40.3175.8178.879.6000111.8V2651 Q2653 E2658 C2659 L2675V2651-W2655 WeakPolarHBondContact O-CB 3.25Å; V2651-W2655 PolarHBondContact O-N 2.87Å; Q2653-W2655 VanDerWaalsContact C-N 3.33Å; Q2653-W2655 PolarHBondContact O-N 2.9Å; W2655-E2658 PolarHBondContact O-N 3.36Å; W2655-C2659 PolarHBondContact O-N 3.12Å; W2655-C2659 PolarHBondContact O-SG 3.48Å; W2655-C2659 VanDerWaalsContact O-SG 3.39Å; W2655-L2675 HydrophobicContact CZ3-CD2 3.9Å
2656L73.1Confident72.5Confident11 Ų1170.5 Ų70.56%0.05836%0.362CS..Hα-helixtrans-64.5-38.7173.4-76.3177.3000112.8L2652 Q2653 E2658 C2659 L2660 L2672 L2675 L2709 L2713L2652-L2656 HydrophobicContact CD2-CD1 3.44Å; L2652-L2656 VanDerWaalsContact CD2-CD1 3.44Å; L2652-L2656 HydrophobicContact CD2-CG 3.7Å; L2652-L2656 WeakPolarHBondContact O-CB 3.29Å; L2652-L2656 VanDerWaalsContact O-CG 3.26Å; L2652-L2656 WeakPolarHBondContact O-CG 3.46Å; L2652-L2656 PolarHBondContact O-N 2.82Å; Q2653-L2656 PolarHBondContact O-N 3.25Å; Q2653-L2656 VanDerWaalsContact O-N 3.16Å; L2656-E2658 VanDerWaalsContact C-N 3.34Å; L2656-C2659 PolarHBondContact O-N 3.08Å; L2656-L2660 VanDerWaalsContact O-CB 3.23Å; L2656-L2660 WeakPolarHBondContact O-CB 3.23Å; L2656-L2660 WeakPolarHBondContact O-CD1 3.38Å; L2656-L2660 WeakPolarHBondContact O-CG 3.49Å; L2656-L2660 PolarHBondContact O-N 2.78Å; L2656-L2672 HydrophobicContact CD2-CD2 3.71Å; L2656-L2675 HydrophobicContact CD2-CD2 3.89Å; L2656-L2709 HydrophobicContact CD1-CD1 4.25Å; L2656-L2713 HydrophobicContact CD1-CD1 3.99Å; L2656-L2713 HydrophobicContact CD1-CG 4.44Å; L2656-L2713 HydrophobicContact CD2-CD1 3.46Å; L2656-L2713 VanDerWaalsContact CD2-CD1 3.46Å; L2656-L2713 HydrophobicContact CD2-CG 4.11Å; L2656-L2713 HydrophobicContact CG-CD1 4.4Å
2657E74.5Confident73.2Confident97 Ų9771.5 Ų71.545%0.45336%0.362SS..Hα-helixtrans-68-35.5175.9-66.9-157.3150.100111.6Q2653 S2654 L2660 K2661 R2716Q2653-E2657 WeakPolarHBondContact O-CG 3.36Å; Q2653-E2657 PolarHBondContact O-N 3.21Å; S2654-E2657 PolarHBondContact O-N 3.49Å; E2657-L2660 PolarHBondContact O-N 3.39Å; E2657-K2661 WeakPolarHBondContact O-CG 3.39Å; E2657-K2661 PolarHBondContact O-N 2.96Å; E2657-R2716 IonicContact OE1-CZ 2.81Å; E2657-R2716 IonicContact OE1-NH2 2.61Å; E2657-R2716 PolarHBondContact OE1-NH2 3.1Å
2658E77.7Confident73.7Confident87 Ų8767.8 Ų67.841%0.40735%0.345SS..Hα-helixtrans-64.8-47171.7-151.261.2-133.600112S2654 W2655 L2656 L2660 K2661 Q2662S2654-E2658 PolarHBondContact O-N 3.3Å; W2655-E2658 PolarHBondContact O-N 3.36Å; L2656-E2658 VanDerWaalsContact C-N 3.34Å; E2658-L2660 VanDerWaalsContact C-N 3.28Å; E2658-L2660 PolarHBondContact O-N 3.03Å; E2658-K2661 WeakPolarHBondContact O-CB 3.41Å; E2658-K2661 PolarHBondContact O-N 2.8Å; E2658-K2661 WeakPolarHBondContact OE1-CD 3.37Å; E2658-K2661 IonicContact OE1-NZ 2.65Å; E2658-K2661 PolarHBondContact OE1-NZ 3.43Å; E2658-K2661 IonicContact OE2-NZ 3.64Å; E2658-K2661 PolarHBondContact OE2-NZ 2.89Å; E2658-Q2662 PolarHBondContact O-N 3.48Å
2659C73.3Confident74.4Confident12 Ų1264.5 Ų64.58%0.08133%0.33CS..Hα-helixtrans-62.5-32.9173.7-70.50000112.9W2655 L2656 Q2662 W2663 I2668 L2672W2655-C2659 PolarHBondContact O-N 3.12Å; W2655-C2659 PolarHBondContact O-SG 3.48Å; W2655-C2659 VanDerWaalsContact O-SG 3.39Å; L2656-C2659 PolarHBondContact O-N 3.08Å; C2659-Q2662 CarbonylContact O-C 3.55Å; C2659-Q2662 PolarHBondContact O-N 3.19Å; C2659-W2663 PolarHBondContact O-N 3.04Å; C2659-I2668 HydrophobicContact CB-CG2 3.75Å; C2659-L2672 HydrophobicContact CB-CD1 4.36Å; C2659-L2672 HydrophobicContact CB-CD2 4.06Å; C2659-L2672 HydrophobicContact CB-CG 4.46Å
2660L73.4Confident75.2Confident22 Ų2267.6 Ų67.612%0.11534%0.341CS..Hα-helixtrans-74.7-23.3176.7-77.1167.8000113.3L2656 E2657 E2658 Q2662 R2716 V2717L2656-L2660 VanDerWaalsContact O-CB 3.23Å; L2656-L2660 WeakPolarHBondContact O-CB 3.23Å; L2656-L2660 WeakPolarHBondContact O-CD1 3.38Å; L2656-L2660 WeakPolarHBondContact O-CG 3.49Å; L2656-L2660 PolarHBondContact O-N 2.78Å; E2657-L2660 PolarHBondContact O-N 3.39Å; E2658-L2660 VanDerWaalsContact C-N 3.28Å; E2658-L2660 PolarHBondContact O-N 3.03Å; L2660-Q2662 VanDerWaalsContact C-N 3.33Å; L2660-R2716 HydrophobicContact CD1-CB 4.19Å; L2660-R2716 HydrophobicContact CD2-CB 4.46Å; L2660-V2717 HydrophobicContact CD2-CG2 3.7Å
2661K77Confident75.9Confident139 Ų13967.8 Ų67.860%0.60434%0.338SS*.Hα-helixtrans-65.5-39.7165.8-65.7163.2-165.5171.90110.6E2657 E2658E2657-K2661 WeakPolarHBondContact O-CG 3.39Å; E2657-K2661 PolarHBondContact O-N 2.96Å; E2658-K2661 WeakPolarHBondContact O-CB 3.41Å; E2658-K2661 PolarHBondContact O-N 2.8Å; E2658-K2661 WeakPolarHBondContact OE1-CD 3.37Å; E2658-K2661 IonicContact OE1-NZ 2.65Å; E2658-K2661 PolarHBondContact OE1-NZ 3.43Å; E2658-K2661 IonicContact OE2-NZ 3.64Å; E2658-K2661 PolarHBondContact OE2-NZ 2.89Å
2662Q77Confident76.4Confident111 Ų11163 Ų6352%0.51931%0.309SS..THydrogen-bonded Turntrans-96.722.2-175.6-56.3-170.215.400114.2E2658 C2659 L2660 L2664 D2665 I2668E2658-Q2662 PolarHBondContact O-N 3.48Å; C2659-Q2662 CarbonylContact O-C 3.55Å; C2659-Q2662 PolarHBondContact O-N 3.19Å; L2660-Q2662 VanDerWaalsContact C-N 3.33Å; Q2662-L2664 PolarHBondContact O-N 3.33Å; Q2662-D2665 PolarHBondContact O-N 3.29Å; Q2662-I2668 HydrophobicContact CB-CD1 3.57Å; Q2662-I2668 HydrophobicContact CG-CD1 4.47Å
2663W75.3Confident77Confident20 Ų2062.7 Ų62.78%0.07631%0.306CS..THydrogen-bonded Turntrans-57.6-16.2-17372.5-83000116.3C2659 N2720 F2721 H2724 L2756C2659-W2663 PolarHBondContact O-N 3.04Å; W2663-N2720 HydrophobicContact CD2-CB 4.3Å; W2663-N2720 HydrophobicContact CZ2-CB 4.38Å; W2663-F2721 HydrophobicContact CE3-CE1 4.43Å; W2663-F2721 HydrophobicContact CE3-CZ 4.43Å; W2663-F2721 HydrophobicContact CH2-CD1 4.38Å; W2663-F2721 HydrophobicContact CH2-CE1 4.45Å; W2663-F2721 AromaticContact CZ3-CD1 3.87Å; W2663-F2721 HydrophobicContact CZ3-CD1 3.87Å; W2663-F2721 AromaticContact CZ3-CE1 3.59Å; W2663-F2721 HydrophobicContact CZ3-CE1 3.59Å; W2663-F2721 HydrophobicContact CZ3-CZ 4.02Å; W2663-H2724 AromaticContact CZ2-CD2 3.72Å; W2663-H2724 AromaticContact CZ2-NE2 3.99Å; W2663-L2756 HydrophobicContact CH2-CD1 4.03Å; W2663-L2756 HydrophobicContact CH2-CG 4.06Å
2664L71.2Confident77.6Confident45 Ų4564.7 Ų64.724%0.23632%0.318CS..THydrogen-bonded Turntrans-83-8.2176.7-75.4160.1000113.8Q2662 F2752 L2756Q2662-L2664 PolarHBondContact O-N 3.33Å; L2664-F2752 HydrophobicContact CD1-CD2 4.14Å; L2664-F2752 HydrophobicContact CD1-CE2 3.42Å; L2664-F2752 VanDerWaalsContact CD1-CE2 3.42Å; L2664-F2752 HydrophobicContact CD1-CZ 4.09Å; L2664-L2756 HydrophobicContact CD2-CB 4.19Å; L2664-L2756 HydrophobicContact CD2-CG 4.35Å
2665D78.2Confident77.8Confident71 Ų7162.9 Ų62.938%0.3830%0.302SS..  trans-79.2135.4169.8178.951.5000112.1Q2662 S2667 I2668 L2669Q2662-D2665 PolarHBondContact O-N 3.29Å; D2665-S2667 VanDerWaalsContact C-N 3.32Å; D2665-S2667 PolarHBondContact O-N 2.94Å; D2665-S2667 WeakPolarHBondContact OD2-CA 3.25Å; D2665-S2667 WeakPolarHBondContact OD2-CB 3.41Å; D2665-S2667 PolarHBondContact OD2-N 3.27Å; D2665-S2667 PolarHBondContact OD2-OG 3.33Å; D2665-I2668 HydrophobicContact CB-CB 4.49Å; D2665-I2668 HydrophobicContact CB-CD1 4.29Å; D2665-I2668 HydrophobicContact CB-CG1 4.41Å; D2665-I2668 PolarHBondContact OD2-N 3.49Å; D2665-L2669 WeakPolarHBondContact O-CB 3.48Å; D2665-L2669 PolarHBondContact O-N 3.27Å
2666L78.3Confident77.9Confident70 Ų7057.8 Ų57.837%0.36628%0.284SS..Hα-helixtrans-76.2-18.2-174.4-158.670.2000112.7K2670 L2762L2666-K2670 WeakPolarHBondContact O-CD 3.5Å; L2666-K2670 VanDerWaalsContact O-CG 3.26Å; L2666-K2670 WeakPolarHBondContact O-CG 3.49Å; L2666-L2762 HydrophobicContact CD1-CB 3.99Å; L2666-L2762 HydrophobicContact CD1-CD1 3.67Å; L2666-L2762 HydrophobicContact CD1-CG 4.29Å; L2666-L2762 HydrophobicContact CG-CD1 3.95Å
2667S79.1Confident78.1Confident64 Ų6461.3 Ų61.345%0.44831%0.306SS..Hα-helixtrans-80.3-48.1173.783.50000111D2665 L2669 K2670 Q2671D2665-S2667 VanDerWaalsContact C-N 3.32Å; D2665-S2667 PolarHBondContact O-N 2.94Å; D2665-S2667 WeakPolarHBondContact OD2-CA 3.25Å; D2665-S2667 WeakPolarHBondContact OD2-CB 3.41Å; D2665-S2667 PolarHBondContact OD2-N 3.27Å; D2665-S2667 PolarHBondContact OD2-OG 3.33Å; S2667-L2669 VanDerWaalsContact C-N 3.34Å; S2667-L2669 PolarHBondContact O-N 3.24Å; S2667-K2670 WeakPolarHBondContact O-CB 3.39Å; S2667-K2670 PolarHBondContact O-N 3.01Å; S2667-Q2671 PolarHBondContact O-N 3.37Å; S2667-Q2671 VanDerWaalsContact O-N 3.11Å
2668I78.9Confident78.2Confident19 Ų1961.8 Ų61.810%0.09731%0.307CS..Hα-helixtrans-62.5-42178-62.4175.1000110.4C2659 Q2662 D2665 K2670 Q2671 L2672C2659-I2668 HydrophobicContact CB-CG2 3.75Å; Q2662-I2668 HydrophobicContact CB-CD1 3.57Å; Q2662-I2668 HydrophobicContact CG-CD1 4.47Å; D2665-I2668 HydrophobicContact CB-CB 4.49Å; D2665-I2668 HydrophobicContact CB-CD1 4.29Å; D2665-I2668 HydrophobicContact CB-CG1 4.41Å; D2665-I2668 PolarHBondContact OD2-N 3.49Å; I2668-K2670 VanDerWaalsContact C-N 3.31Å; I2668-K2670 PolarHBondContact O-N 2.7Å; I2668-Q2671 WeakPolarHBondContact O-CB 3.13Å; I2668-Q2671 PolarHBondContact O-N 3.35Å; I2668-Q2671 VanDerWaalsContact O-N 3.1Å; I2668-L2672 HydrophobicContact CG2-CD1 3.98Å; I2668-L2672 HydrophobicContact CG2-CG 4.22Å; I2668-L2672 WeakPolarHBondContact O-CG 3.5Å; I2668-L2672 PolarHBondContact O-N 3.24Å
2669L80.8Confident77.9Confident0 Ų058.6 Ų58.60%029%0.293CS..Hα-helixtrans-65.1-31.7178.7-165.668.5000113.3D2665 S2667 K2673 V2717 A2759 L2762 W2763D2665-L2669 WeakPolarHBondContact O-CB 3.48Å; D2665-L2669 PolarHBondContact O-N 3.27Å; S2667-L2669 VanDerWaalsContact C-N 3.34Å; S2667-L2669 PolarHBondContact O-N 3.24Å; L2669-K2673 VanDerWaalsContact O-CB 3.28Å; L2669-K2673 WeakPolarHBondContact O-CB 3.31Å; L2669-K2673 PolarHBondContact O-N 3.34Å; L2669-K2673 VanDerWaalsContact O-N 3.08Å; L2669-V2717 HydrophobicContact CD1-CG1 4.26Å; L2669-A2759 VanDerWaalsContact CD2-CA 3.49Å; L2669-A2759 HydrophobicContact CD2-CB 3.6Å; L2669-A2759 WeakPolarHBondContact CD2-O 3.43Å; L2669-L2762 HydrophobicContact CB-CD2 4.32Å; L2669-L2762 HydrophobicContact CD2-CD2 4.1Å; L2669-L2762 HydrophobicContact CG-CD2 4.08Å; L2669-W2763 HydrophobicContact CD1-CD2 4.31Å; L2669-W2763 HydrophobicContact CD1-CE3 3.55Å; L2669-W2763 HydrophobicContact CD1-CZ3 4.07Å; L2669-W2763 HydrophobicContact CD2-CB 4.34Å; L2669-W2763 HydrophobicContact CG-CE3 4.02Å
2670K82.2Confident77.7Confident120 Ų12064.1 Ų64.152%0.52232%0.315SS..Hα-helixtrans-66.1-44.1170.2-74.6169.4-177.8178.90111.2L2666 S2667 I2668 K2673 L2674 L2762L2666-K2670 WeakPolarHBondContact O-CD 3.5Å; L2666-K2670 VanDerWaalsContact O-CG 3.26Å; L2666-K2670 WeakPolarHBondContact O-CG 3.49Å; S2667-K2670 WeakPolarHBondContact O-CB 3.39Å; S2667-K2670 PolarHBondContact O-N 3.01Å; I2668-K2670 VanDerWaalsContact C-N 3.31Å; I2668-K2670 PolarHBondContact O-N 2.7Å; K2670-K2673 PolarHBondContact O-N 3.42Å; K2670-L2674 WeakPolarHBondContact O-CB 3.35Å; K2670-L2674 PolarHBondContact O-N 2.97Å; K2670-L2762 HydrophobicContact CD-CD1 4.18Å; K2670-L2762 VanDerWaalsContact CE-CD1 3.47Å; K2670-L2762 HydrophobicContact CG-CD1 3.64Å; K2670-L2762 HydrophobicContact CG-CD2 3.81Å; K2670-L2762 HydrophobicContact CG-CG 4.34Å
2671Q82.5Confident77.3Confident106 Ų10673 Ų7350%0.49535%0.347SS..Hα-helixtrans-64.2-47178.5-68.8173.6-12.400111.7S2667 I2668 K2673 L2674 L2675S2667-Q2671 PolarHBondContact O-N 3.37Å; S2667-Q2671 VanDerWaalsContact O-N 3.11Å; I2668-Q2671 WeakPolarHBondContact O-CB 3.13Å; I2668-Q2671 PolarHBondContact O-N 3.35Å; I2668-Q2671 VanDerWaalsContact O-N 3.1Å; Q2671-K2673 VanDerWaalsContact C-N 3.31Å; Q2671-K2673 PolarHBondContact O-N 3Å; Q2671-L2674 PolarHBondContact O-N 3.29Å; Q2671-L2675 WeakPolarHBondContact O-CB 3.47Å; Q2671-L2675 PolarHBondContact O-N 3.39Å
2672L81.6Confident76.3Confident1 Ų173 Ų731%0.00535%0.348CS..Hα-helixtrans-59-40.6174.9-70.9173.3000112L2656 C2659 I2668 L2675 V2676 L2713 W2763L2656-L2672 HydrophobicContact CD2-CD2 3.71Å; C2659-L2672 HydrophobicContact CB-CD1 4.36Å; C2659-L2672 HydrophobicContact CB-CD2 4.06Å; C2659-L2672 HydrophobicContact CB-CG 4.46Å; I2668-L2672 HydrophobicContact CG2-CD1 3.98Å; I2668-L2672 HydrophobicContact CG2-CG 4.22Å; I2668-L2672 WeakPolarHBondContact O-CG 3.5Å; I2668-L2672 PolarHBondContact O-N 3.24Å; L2672-L2675 PolarHBondContact O-N 3.45Å; L2672-V2676 WeakPolarHBondContact O-CG2 3.36Å; L2672-V2676 PolarHBondContact O-N 3.47Å; L2672-L2713 HydrophobicContact CD2-CD1 4.34Å; L2672-L2713 HydrophobicContact CD2-CD2 4.3Å; L2672-W2763 HydrophobicContact CB-CZ3 4.05Å
2673K81.5Confident75.3Confident53 Ų5370.6 Ų70.623%0.2334%0.343CS..Hα-helixtrans-65.6-43.1176.2179.2165.7174.6160.90111.9L2669 K2670 Q2671 V2676 T2677 L2762 W2763 S2765L2669-K2673 VanDerWaalsContact O-CB 3.28Å; L2669-K2673 WeakPolarHBondContact O-CB 3.31Å; L2669-K2673 PolarHBondContact O-N 3.34Å; L2669-K2673 VanDerWaalsContact O-N 3.08Å; K2670-K2673 PolarHBondContact O-N 3.42Å; Q2671-K2673 VanDerWaalsContact C-N 3.31Å; Q2671-K2673 PolarHBondContact O-N 3Å; K2673-V2676 PolarHBondContact O-N 2.98Å; K2673-T2677 PolarHBondContact O-N 2.93Å; K2673-T2677 PolarHBondContact O-OG1 2.91Å; K2673-L2762 PolarHBondContact NZ-O 2.64Å; K2673-W2763 HydrophobicContact CB-CE3 4.02Å; K2673-W2763 HydrophobicContact CB-CZ3 3.87Å; K2673-W2763 PolarHBondContact NZ-O 3.1Å; K2673-S2765 PolarHBondContact NZ-OG 3.07Å
2674L82.6Confident73.8Confident117 Ų11774.1 Ų74.161%0.61337%0.371SS*.Hα-helixtrans-61.8-44.2174.9-170.8152.8000110.9K2670 Q2671 V2676 T2677 F2678K2670-L2674 WeakPolarHBondContact O-CB 3.35Å; K2670-L2674 PolarHBondContact O-N 2.97Å; Q2671-L2674 PolarHBondContact O-N 3.29Å; L2674-V2676 PolarHBondContact O-N 2.85Å; L2674-T2677 WeakPolarHBondContact CA-OG1 3.47Å; L2674-T2677 CarbonylContact O-C 3.51Å; L2674-T2677 PolarHBondContact O-N 3.32Å; L2674-T2677 VanDerWaalsContact O-N 3.11Å; L2674-T2677 PolarHBondContact O-OG1 3.17Å; L2674-F2678 WeakPolarHBondContact O-CB 3.39Å; L2674-F2678 PolarHBondContact O-N 3.28Å
2675L79.6Confident72.3Confident38 Ų3879 Ų7920%0.19940%0.397CS..Hα-helixtrans-60.6-43.3176-171.272.6000112.3W2655 L2656 Q2671 L2672 T2677 F2678 L2679 L2713W2655-L2675 HydrophobicContact CZ3-CD2 3.9Å; L2656-L2675 HydrophobicContact CD2-CD2 3.89Å; Q2671-L2675 WeakPolarHBondContact O-CB 3.47Å; Q2671-L2675 PolarHBondContact O-N 3.39Å; L2672-L2675 PolarHBondContact O-N 3.45Å; L2675-T2677 VanDerWaalsContact C-N 3.31Å; L2675-T2677 PolarHBondContact O-N 2.95Å; L2675-F2678 WeakPolarHBondContact O-CB 3.24Å; L2675-F2678 PolarHBondContact O-N 3Å; L2675-L2679 HydrophobicContact CG-CD1 4.03Å; L2675-L2679 HydrophobicContact CG-CG 4.36Å; L2675-L2679 WeakPolarHBondContact O-CB 3.35Å; L2675-L2679 WeakPolarHBondContact O-CG 3.48Å; L2675-L2679 PolarHBondContact O-N 3.27Å; L2675-L2713 HydrophobicContact CD2-CD1 3.79Å
2676V78.6Confident70.4Confident10 Ų1083.8 Ų83.86%0.06142%0.415CS..Hα-helixtrans-61.7-38.2173.8169.90000111.5L2672 K2673 L2674 K2680 L2713 A2714 W2763L2672-V2676 WeakPolarHBondContact O-CG2 3.36Å; L2672-V2676 PolarHBondContact O-N 3.47Å; K2673-V2676 PolarHBondContact O-N 2.98Å; L2674-V2676 PolarHBondContact O-N 2.85Å; V2676-K2680 HydrophobicContact CG1-CD 4.08Å; V2676-K2680 WeakPolarHBondContact O-CB 3.47Å; V2676-K2680 VanDerWaalsContact O-CG 3.22Å; V2676-K2680 WeakPolarHBondContact O-CG 3.39Å; V2676-K2680 PolarHBondContact O-N 3.15Å; V2676-L2713 HydrophobicContact CG2-CB 4.48Å; V2676-L2713 HydrophobicContact CG2-CD1 4.18Å; V2676-L2713 HydrophobicContact CG2-CD2 3.69Å; V2676-L2713 HydrophobicContact CG2-CG 4.34Å; V2676-A2714 HydrophobicContact CG1-CB 4.31Å; V2676-A2714 HydrophobicContact CG2-CB 4.41Å; V2676-W2763 HydrophobicContact CG2-CH2 4.1Å
2677T77.2Confident68.2Low86 Ų8688.4 Ų88.453%0.52844%0.439SS..Hα-helixtrans-71-32.4174.354.10000113.3K2673 L2674 L2675 R2681K2673-T2677 PolarHBondContact O-N 2.93Å; K2673-T2677 PolarHBondContact O-OG1 2.91Å; L2674-T2677 WeakPolarHBondContact CA-OG1 3.47Å; L2674-T2677 CarbonylContact O-C 3.51Å; L2674-T2677 PolarHBondContact O-N 3.32Å; L2674-T2677 VanDerWaalsContact O-N 3.11Å; L2674-T2677 PolarHBondContact O-OG1 3.17Å; L2675-T2677 VanDerWaalsContact C-N 3.31Å; L2675-T2677 PolarHBondContact O-N 2.95Å; T2677-R2681 WeakPolarHBondContact O-CB 3.46Å; T2677-R2681 PolarHBondContact O-N 3.41Å
2678F76.7Confident65.8Low106 Ų10691.8 Ų91.847%0.46546%0.457SS..Hα-helixtrans-67.1-56.8175.2-177.1-85.2000110.8L2674 L2675 K2680 R2681 F2682L2674-F2678 WeakPolarHBondContact O-CB 3.39Å; L2674-F2678 PolarHBondContact O-N 3.28Å; L2675-F2678 WeakPolarHBondContact O-CB 3.24Å; L2675-F2678 PolarHBondContact O-N 3Å; F2678-K2680 VanDerWaalsContact C-N 3.27Å; F2678-K2680 PolarHBondContact O-N 3.35Å; F2678-R2681 WeakPolarHBondContact O-CA 3.47Å; F2678-R2681 WeakPolarHBondContact O-CB 3.4Å; F2678-R2681 PolarHBondContact O-N 2.81Å; F2678-F2682 AromaticContact CD1-CD2 3.93Å; F2678-F2682 HydrophobicContact CD1-CD2 3.93Å; F2678-F2682 HydrophobicContact CD1-CE2 4.26Å; F2678-F2682 HydrophobicContact CD2-CD2 4.15Å; F2678-F2682 AromaticContact CD2-CE2 3.71Å; F2678-F2682 HydrophobicContact CD2-CE2 3.71Å; F2678-F2682 AromaticContact CE1-CD2 3.73Å; F2678-F2682 HydrophobicContact CE1-CD2 3.73Å; F2678-F2682 AromaticContact CE1-CE2 3.92Å; F2678-F2682 HydrophobicContact CE1-CE2 3.92Å; F2678-F2682 HydrophobicContact CE1-CG 4.48Å; F2678-F2682 AromaticContact CE2-CD2 3.99Å; F2678-F2682 HydrophobicContact CE2-CD2 3.99Å; F2678-F2682 AromaticContact CE2-CE2 3.33Å; F2678-F2682 HydrophobicContact CE2-CE2 3.33Å; F2678-F2682 HydrophobicContact CE2-CZ 4.05Å; F2678-F2682 HydrophobicContact CG-CD2 4.13Å; F2678-F2682 HydrophobicContact CG-CE2 4.16Å; F2678-F2682 AromaticContact CZ-CD2 3.76Å; F2678-F2682 HydrophobicContact CZ-CD2 3.76Å; F2678-F2682 AromaticContact CZ-CE2 3.44Å; F2678-F2682 HydrophobicContact CZ-CE2 3.44Å; F2678-F2682 VanDerWaalsContact CZ-CE2 3.44Å; F2678-F2682 HydrophobicContact CZ-CZ 4.05Å; F2678-F2682 WeakPolarHBondContact O-CD2 3.34Å; F2678-F2682 PolarHBondContact O-N 2.67Å; F2678-F2682 VanDerWaalsContact O-N 3.14Å
2679L71.2Confident63.7Low20 Ų2097.2 Ų97.211%0.10549%0.49CS..Hα-helixtrans-56.3-40.8179.5-67.7172.1000111.8L2675 R2681 S2683 L2709L2675-L2679 HydrophobicContact CG-CD1 4.03Å; L2675-L2679 HydrophobicContact CG-CG 4.36Å; L2675-L2679 WeakPolarHBondContact O-CB 3.35Å; L2675-L2679 WeakPolarHBondContact O-CG 3.48Å; L2675-L2679 PolarHBondContact O-N 3.27Å; L2679-R2681 VanDerWaalsContact C-N 3.29Å; L2679-R2681 PolarHBondContact O-N 3.18Å; L2679-S2683 WeakPolarHBondContact O-CB 3.42Å; L2679-S2683 PolarHBondContact O-N 2.78Å; L2679-L2709 HydrophobicContact CD1-CD2 4.19Å; L2679-L2709 HydrophobicContact CD1-CG 4.43Å
2680K69.5Low61.6Low129 Ų129102.3 Ų102.356%0.56153%0.526SS*.Hα-helixtrans-64.1-27.8174.1-76.8176.4179.2179.20114.1V2676 F2678V2676-K2680 HydrophobicContact CG1-CD 4.08Å; V2676-K2680 WeakPolarHBondContact O-CB 3.47Å; V2676-K2680 VanDerWaalsContact O-CG 3.22Å; V2676-K2680 WeakPolarHBondContact O-CG 3.39Å; V2676-K2680 PolarHBondContact O-N 3.15Å; F2678-K2680 VanDerWaalsContact C-N 3.27Å; F2678-K2680 PolarHBondContact O-N 3.35Å
2681R63.7Low59.1Low209 Ų209104 Ų10479%0.78955%0.547SS*.Hα-helixtrans-83.9-35.1-178.2-174.6171.6179.61550.3113T2677 F2678 L2679T2677-R2681 WeakPolarHBondContact O-CB 3.46Å; T2677-R2681 PolarHBondContact O-N 3.41Å; F2678-R2681 WeakPolarHBondContact O-CA 3.47Å; F2678-R2681 WeakPolarHBondContact O-CB 3.4Å; F2678-R2681 PolarHBondContact O-N 2.81Å; L2679-R2681 VanDerWaalsContact C-N 3.29Å; L2679-R2681 PolarHBondContact O-N 3.18Å
2682F57.2Low56.6Low138 Ų138102.2 Ų102.261%0.60556%0.557SS**Hα-helixtrans-81.3-14.9178.1-76.1-88.4000113.6F2678 S2684F2678-F2682 AromaticContact CD1-CD2 3.93Å; F2678-F2682 HydrophobicContact CD1-CD2 3.93Å; F2678-F2682 HydrophobicContact CD1-CE2 4.26Å; F2678-F2682 HydrophobicContact CD2-CD2 4.15Å; F2678-F2682 AromaticContact CD2-CE2 3.71Å; F2678-F2682 HydrophobicContact CD2-CE2 3.71Å; F2678-F2682 AromaticContact CE1-CD2 3.73Å; F2678-F2682 HydrophobicContact CE1-CD2 3.73Å; F2678-F2682 AromaticContact CE1-CE2 3.92Å; F2678-F2682 HydrophobicContact CE1-CE2 3.92Å; F2678-F2682 HydrophobicContact CE1-CG 4.48Å; F2678-F2682 AromaticContact CE2-CD2 3.99Å; F2678-F2682 HydrophobicContact CE2-CD2 3.99Å; F2678-F2682 AromaticContact CE2-CE2 3.33Å; F2678-F2682 HydrophobicContact CE2-CE2 3.33Å; F2678-F2682 HydrophobicContact CE2-CZ 4.05Å; F2678-F2682 HydrophobicContact CG-CD2 4.13Å; F2678-F2682 HydrophobicContact CG-CE2 4.16Å; F2678-F2682 AromaticContact CZ-CD2 3.76Å; F2678-F2682 HydrophobicContact CZ-CD2 3.76Å; F2678-F2682 AromaticContact CZ-CE2 3.44Å; F2678-F2682 HydrophobicContact CZ-CE2 3.44Å; F2678-F2682 VanDerWaalsContact CZ-CE2 3.44Å; F2678-F2682 HydrophobicContact CZ-CZ 4.05Å; F2678-F2682 WeakPolarHBondContact O-CD2 3.34Å; F2678-F2682 PolarHBondContact O-N 2.67Å; F2678-F2682 VanDerWaalsContact O-N 3.14Å; F2682-S2684 PolarHBondContact O-N 2.98Å
2683S55.8Low54.3Low61 Ų61111.1 Ų111.143%0.42760%0.598SS.*THydrogen-bonded Turntrans-63.4-3.2-177.7-176.50000116.7L2679 S2707L2679-S2683 WeakPolarHBondContact O-CB 3.42Å; L2679-S2683 PolarHBondContact O-N 2.78Å; S2683-S2707 WeakPolarHBondContact OG-CB 3.36Å
2684S43.3Very low51.8Low94 Ų94116.7 Ų116.766%0.65763%0.625SS**THydrogen-bonded Turntrans-106.8-11-166.9-58.30000116.3F2682F2682-S2684 PolarHBondContact O-N 2.98Å
2685N39.5Very low49.6Very low147 Ų147120.1 Ų120.179%0.78664%0.638SS**SBendtrans-117.56.6-160.9-80.430.3000117.4
2686K38.4Very low47.2Very low172 Ų172126.5 Ų126.575%0.74867%0.67SS**  trans-123.681.8172.5-79.9-165.8174.9-172.80110.8D2611D2611-K2686 IonicContact OD1-NZ 3.36Å; D2611-K2686 IonicContact OD2-NZ 3.94Å; D2611-K2686 PolarHBondContact OD2-NZ 3.47Å
2687L31.6Very low44.8Very low166 Ų166129.1 Ų129.187%0.86970%0.699SS**  trans-158.752174.1-128.4168.5000114.4
2688T29.1Very low42.7Very low136 Ų136134.9 Ų134.983%0.83472%0.717SS**  trans-140.656.8-177.756.90000113.6
2689V35.8Very low40.3Very low132 Ų132138.5 Ų138.580%0.874%0.74SS**SBendtrans-140.2130.6171.5-1660000111.3
2690S35.3Very low38.2Very low108 Ų108142 Ų14276%0.75577%0.766SS**  trans38.5109.2163.763.20000119.9
2691T30.8Very low36.6Very low154 Ų154142 Ų14295%0.94578%0.779SS**  trans-71.8125.6149.942.20000110.3
2692G29.7Very low35.2Very low70 Ų70136.1 Ų136.172%0.72277%0.77SS**  trans-174.4118.6177.200000113.6
2693H34Very low34.3Very low188 Ų188134.1 Ų134.187%0.8777%0.765SS**  trans58.1108.4178-83.1-74.3000118.9
2694E28.9Very low33.6Very low170 Ų170136.5 Ų136.579%0.79478%0.782SS**  trans-65.3140.1158.8-51.3169130.100110.5
2695H35.3Very low34.1Very low188 Ų188133.7 Ų133.787%0.8776%0.762SS**  trans-146.2112.6146-101-63.1000110.3
2696I29.8Very low34.5Very low173 Ų173130.7 Ų130.789%0.88775%0.752SS**  trans-79.4119.7-179.6-61.5166.5000108.8
2697G29Very low35.2Very low64 Ų64124.7 Ų124.766%0.6673%0.732SS**  trans-177.1107.3176.800000117
2698K31.2Very low36.7Very low208 Ų208120 Ų12090%0.90471%0.707SS**  trans67.1121.4163.9-59.1178-180176.60117
2699L26.5Very low38.5Very low182 Ų182114.1 Ų114.195%0.95367%0.671SS**  trans-75.2130.8172.4-70.475.9000110.5
2700S28.9Very low40.2Very low93 Ų93108 Ų10865%0.6563%0.634SS**  trans-140.2135.2156.660.90000108.2S2702S2700-S2702 PolarHBondContact O-N 3.11Å
2701P35.5Very low42Very low128 Ų128110.6 Ų110.683%0.83163%0.627SS**  trans-83.562.8-170.834.3-36.6000112L2703P2701-L2703 PolarHBondContact O-N 2.68Å
2702S34.1Very low44.1Very low86 Ų86106 Ų10660%0.60160%0.596SS**  trans-68.8121.8168.152.30000110.1S2700 S2704S2700-S2702 PolarHBondContact O-N 3.11Å; S2702-S2704 PolarHBondContact O-N 2.77Å
2703L37.1Very low46.3Very low96 Ų96102.9 Ų102.950%0.50356%0.563SS.*  trans-71.575.8173.8-84.169.9000110.2P2701 S2705 I2712P2701-L2703 PolarHBondContact O-N 2.68Å; L2703-S2705 VanDerWaalsContact C-N 3.29Å; L2703-S2705 PolarHBondContact O-N 3.37Å; L2703-I2712 HydrophobicContact CD2-CD1 3.97Å; L2703-I2712 HydrophobicContact CG-CD1 4.5Å
2704S42.8Very low48.4Very low112 Ų11294.9 Ų94.978%0.78353%0.53SS*.  trans-90.426.3-175.967.80000113.7S2702S2702-S2704 PolarHBondContact O-N 2.77Å
2705S52.2Low50.9Low35 Ų3589.3 Ų89.325%0.24551%0.513CS..  trans-148.7130.1-177.6101.20000112.8L2703 S2707 D2708L2703-S2705 VanDerWaalsContact C-N 3.29Å; L2703-S2705 PolarHBondContact O-N 3.37Å; S2705-S2707 WeakPolarHBondContact CB-OG 3.36Å; S2705-S2707 PolarHBondContact O-N 3.29Å; S2705-S2707 PolarHBondContact OG-OG 3.1Å; S2705-D2708 WeakPolarHBondContact OG-CB 3.45Å; S2705-D2708 VanDerWaalsContact OG-CG 3.22Å; S2705-D2708 PolarHBondContact OG-N 3.03Å; S2705-D2708 PolarHBondContact OG-OD2 3.02Å
2706C48.7Very low53Low84 Ų8485.4 Ų85.457%0.56849%0.49SS*.Hα-helixtrans-72.6-19.4170.1-166.60000111.7L2709C2706-L2709 PolarHBondContact O-N 3.36Å
2707S52.5Low55.5Low46 Ų4677.2 Ų77.232%0.32245%0.448SS..Hα-helixtrans-69.4-29.8176.845.50000113.4S2683 S2705S2683-S2707 WeakPolarHBondContact OG-CB 3.36Å; S2705-S2707 WeakPolarHBondContact CB-OG 3.36Å; S2705-S2707 PolarHBondContact O-N 3.29Å; S2705-S2707 PolarHBondContact OG-OG 3.1Å
2708D62.7Low58Low66 Ų6675.4 Ų75.435%0.35342%0.424SS..Hα-helixtrans-81.5-28.8174.1-67.5-50.5000113.1S2705 G2710 R2711 I2712S2705-D2708 WeakPolarHBondContact OG-CB 3.45Å; S2705-D2708 VanDerWaalsContact OG-CG 3.22Å; S2705-D2708 PolarHBondContact OG-N 3.03Å; S2705-D2708 PolarHBondContact OG-OD2 3.02Å; D2708-G2710 VanDerWaalsContact C-N 3.3Å; D2708-G2710 PolarHBondContact O-N 3.41Å; D2708-R2711 CarbonylContact O-C 3.55Å; D2708-R2711 WeakPolarHBondContact O-CA 3.2Å; D2708-R2711 WeakPolarHBondContact O-CB 3.29Å; D2708-R2711 PolarHBondContact O-N 3.23Å; D2708-R2711 IonicContact OD1-NH1 3.38Å; D2708-R2711 PolarHBondContact OD1-NH1 2.72Å; D2708-I2712 HydrophobicContact CB-CD1 4.2Å; D2708-I2712 VanDerWaalsContact O-CG1 3.32Å; D2708-I2712 WeakPolarHBondContact O-CG1 3.5Å; D2708-I2712 PolarHBondContact O-N 3.35Å
2709L66.7Low60.4Low14 Ų1470.6 Ų70.67%0.07341%0.405CS..Hα-helixtrans-53.8-46176.8-172.274.4000111.9L2649 L2652 L2656 L2679 C2706 R2711 I2712 L2713L2649-L2709 HydrophobicContact CD2-CD1 4.48Å; L2652-L2709 HydrophobicContact CD1-CD2 3.8Å; L2652-L2709 HydrophobicContact CD2-CD2 3.93Å; L2656-L2709 HydrophobicContact CD1-CD1 4.25Å; L2679-L2709 HydrophobicContact CD1-CD2 4.19Å; L2679-L2709 HydrophobicContact CD1-CG 4.43Å; C2706-L2709 PolarHBondContact O-N 3.36Å; L2709-R2711 PolarHBondContact O-N 3.12Å; L2709-I2712 PolarHBondContact O-N 3.2Å; L2709-L2713 VanDerWaalsContact O-CB 3.31Å; L2709-L2713 WeakPolarHBondContact O-CB 3.42Å; L2709-L2713 PolarHBondContact O-N 3.39Å
2710G71.6Confident63.1Low2 Ų263 Ų632%0.02137%0.365CS..Hα-helixtrans-66.9-20.2177.400000114.7D2708D2708-G2710 VanDerWaalsContact C-N 3.3Å; D2708-G2710 PolarHBondContact O-N 3.41Å
2711R73.9Confident65.7Low164 Ų16458.6 Ų58.662%0.61934%0.335SS*.Hα-helixtrans-85.2-45.5172.5-63.5172.1172.3167-6.4111.1D2708 L2709 A2714 A2715D2708-R2711 CarbonylContact O-C 3.55Å; D2708-R2711 WeakPolarHBondContact O-CA 3.2Å; D2708-R2711 WeakPolarHBondContact O-CB 3.29Å; D2708-R2711 PolarHBondContact O-N 3.23Å; D2708-R2711 IonicContact OD1-NH1 3.38Å; D2708-R2711 PolarHBondContact OD1-NH1 2.72Å; L2709-R2711 PolarHBondContact O-N 3.12Å; R2711-A2714 PolarHBondContact O-N 3.28Å; R2711-A2715 WeakPolarHBondContact O-CB 3.28Å; R2711-A2715 PolarHBondContact O-N 2.9Å
2712I73.9Confident67.9Low57 Ų5756.2 Ų56.229%0.29231%0.314SS..Hα-helixtrans-61.7-43.7179-67.5164.5000110.9L2703 D2708 L2709 A2715 R2716L2703-I2712 HydrophobicContact CD2-CD1 3.97Å; L2703-I2712 HydrophobicContact CG-CD1 4.5Å; D2708-I2712 HydrophobicContact CB-CD1 4.2Å; D2708-I2712 VanDerWaalsContact O-CG1 3.32Å; D2708-I2712 WeakPolarHBondContact O-CG1 3.5Å; D2708-I2712 PolarHBondContact O-N 3.35Å; L2709-I2712 PolarHBondContact O-N 3.2Å; I2712-A2715 PolarHBondContact O-N 3.42Å; I2712-R2716 PolarHBondContact O-N 2.88Å
2713L76.8Confident70.3Confident5 Ų558.7 Ų58.73%0.02631%0.314CS..Hα-helixtrans-60.7-49.7175.3-168.9177.2000110.6L2656 L2672 L2675 V2676 L2709 A2715 R2716 V2717 W2763L2656-L2713 HydrophobicContact CD1-CD1 3.99Å; L2656-L2713 HydrophobicContact CD1-CG 4.44Å; L2656-L2713 HydrophobicContact CD2-CD1 3.46Å; L2656-L2713 VanDerWaalsContact CD2-CD1 3.46Å; L2656-L2713 HydrophobicContact CD2-CG 4.11Å; L2656-L2713 HydrophobicContact CG-CD1 4.4Å; L2672-L2713 HydrophobicContact CD2-CD1 4.34Å; L2672-L2713 HydrophobicContact CD2-CD2 4.3Å; L2675-L2713 HydrophobicContact CD2-CD1 3.79Å; V2676-L2713 HydrophobicContact CG2-CB 4.48Å; V2676-L2713 HydrophobicContact CG2-CD1 4.18Å; V2676-L2713 HydrophobicContact CG2-CD2 3.69Å; V2676-L2713 HydrophobicContact CG2-CG 4.34Å; L2709-L2713 VanDerWaalsContact O-CB 3.31Å; L2709-L2713 WeakPolarHBondContact O-CB 3.42Å; L2709-L2713 PolarHBondContact O-N 3.39Å; L2713-A2715 VanDerWaalsContact C-N 3.28Å; L2713-A2715 PolarHBondContact O-N 3.3Å; L2713-R2716 PolarHBondContact O-N 3.47Å; L2713-V2717 HydrophobicContact CD2-CG2 3.87Å; L2713-V2717 PolarHBondContact O-N 2.82Å; L2713-W2763 HydrophobicContact CD2-CH2 4.27Å
2714A79Confident72.5Confident20 Ų2056.5 Ų56.517%0.16530%0.301CS..Hα-helixtrans-59.3-40.3178.100000112V2676 R2711 V2717 T2718V2676-A2714 HydrophobicContact CG1-CB 4.31Å; V2676-A2714 HydrophobicContact CG2-CB 4.41Å; R2711-A2714 PolarHBondContact O-N 3.28Å; A2714-V2717 PolarHBondContact O-N 3.27Å; A2714-T2718 WeakPolarHBondContact O-CG2 3.45Å; A2714-T2718 PolarHBondContact O-N 3.37Å; A2714-T2718 PolarHBondContact O-OG1 3.01Å
2715A80.1Confident74.3Confident53 Ų5355 Ų5544%0.43828%0.28SS..Hα-helixtrans-66.7-41.6175.600000113.1R2711 I2712 L2713 T2718 Q2719R2711-A2715 WeakPolarHBondContact O-CB 3.28Å; R2711-A2715 PolarHBondContact O-N 2.9Å; I2712-A2715 PolarHBondContact O-N 3.42Å; L2713-A2715 VanDerWaalsContact C-N 3.28Å; L2713-A2715 PolarHBondContact O-N 3.3Å; A2715-T2718 PolarHBondContact O-N 3.32Å; A2715-T2718 PolarHBondContact O-OG1 2.63Å; A2715-T2718 VanDerWaalsContact O-OG1 3.13Å; A2715-Q2719 VanDerWaalsContact O-CB 3.24Å; A2715-Q2719 WeakPolarHBondContact O-CB 3.23Å; A2715-Q2719 PolarHBondContact O-N 3.47Å
2716R79.3Confident75.7Confident105 Ų10558.7 Ų58.740%0.39630%0.298SS..Hα-helixtrans-61.5-41.9174.3-94.9170149.3119.1-21.3111.6E2657 L2660 I2712 L2713 Q2719 N2720E2657-R2716 IonicContact OE1-CZ 2.81Å; E2657-R2716 IonicContact OE1-NH2 2.61Å; E2657-R2716 PolarHBondContact OE1-NH2 3.1Å; L2660-R2716 HydrophobicContact CD1-CB 4.19Å; L2660-R2716 HydrophobicContact CD2-CB 4.46Å; I2712-R2716 PolarHBondContact O-N 2.88Å; L2713-R2716 PolarHBondContact O-N 3.47Å; R2716-Q2719 PolarHBondContact O-N 2.86Å; R2716-N2720 PolarHBondContact O-N 3.05Å; R2716-N2720 VanDerWaalsContact O-N 3.08Å
2717V82.3Confident77.2Confident1 Ų158.2 Ų58.21%0.00629%0.287CS..Hα-helixtrans-67.6-44.4176.8175.80000111.5L2660 L2669 L2713 A2714 Q2719 N2720 F2721 W2763L2660-V2717 HydrophobicContact CD2-CG2 3.7Å; L2669-V2717 HydrophobicContact CD1-CG1 4.26Å; L2713-V2717 HydrophobicContact CD2-CG2 3.87Å; L2713-V2717 PolarHBondContact O-N 2.82Å; A2714-V2717 PolarHBondContact O-N 3.27Å; V2717-Q2719 VanDerWaalsContact C-N 3.3Å; V2717-Q2719 PolarHBondContact O-N 3.3Å; V2717-N2720 PolarHBondContact O-N 2.91Å; V2717-F2721 HydrophobicContact CG1-CD2 4.19Å; V2717-F2721 HydrophobicContact CG1-CE2 3.79Å; V2717-F2721 VanDerWaalsContact O-CD2 3.3Å; V2717-F2721 WeakPolarHBondContact O-CD2 3.46Å; V2717-F2721 PolarHBondContact O-N 3.2Å; V2717-W2763 HydrophobicContact CB-CH2 3.98Å; V2717-W2763 HydrophobicContact CB-CZ2 3.7Å; V2717-W2763 HydrophobicContact CG1-CD2 3.68Å; V2717-W2763 VanDerWaalsContact CG1-CE2 3.48Å; V2717-W2763 HydrophobicContact CG1-CE3 3.97Å; V2717-W2763 HydrophobicContact CG1-CG 4.27Å; V2717-W2763 HydrophobicContact CG1-CH2 3.9Å; V2717-W2763 HydrophobicContact CG1-CZ2 3.62Å; V2717-W2763 HydrophobicContact CG1-CZ3 4.06Å; V2717-W2763 HydrophobicContact CG2-CH2 3.93Å; V2717-W2763 HydrophobicContact CG2-CZ2 4.18Å; V2717-W2763 HydrophobicContact CG2-CZ3 4.41Å
2718T81Confident78.6Confident26 Ų2656 Ų5616%0.1627%0.272CS..Hα-helixtrans-65.9-33174.3570000112.3A2714 A2715 N2720 F2721 I2722 F2764A2714-T2718 WeakPolarHBondContact O-CG2 3.45Å; A2714-T2718 PolarHBondContact O-N 3.37Å; A2714-T2718 PolarHBondContact O-OG1 3.01Å; A2715-T2718 PolarHBondContact O-N 3.32Å; A2715-T2718 PolarHBondContact O-OG1 2.63Å; A2715-T2718 VanDerWaalsContact O-OG1 3.13Å; T2718-N2720 VanDerWaalsContact C-N 3.34Å; T2718-N2720 PolarHBondContact O-N 3.47Å; T2718-F2721 PolarHBondContact O-N 3.37Å; T2718-I2722 VanDerWaalsContact O-CG1 3.25Å; T2718-I2722 WeakPolarHBondContact O-CG1 3.5Å; T2718-I2722 PolarHBondContact O-N 3.45Å; T2718-F2764 HydrophobicContact CG2-CE1 4.32Å; T2718-F2764 HydrophobicContact CG2-CZ 3.86Å
2719Q83.1Confident79.5Confident107 Ų10753.4 Ų53.450%0.526%0.258SS..Hα-helixtrans-63.2-36.6173.9-167.4-178.62000112.4A2715 R2716 V2717 I2722 K2723A2715-Q2719 VanDerWaalsContact O-CB 3.24Å; A2715-Q2719 WeakPolarHBondContact O-CB 3.23Å; A2715-Q2719 PolarHBondContact O-N 3.47Å; R2716-Q2719 PolarHBondContact O-N 2.86Å; V2717-Q2719 VanDerWaalsContact C-N 3.3Å; V2717-Q2719 PolarHBondContact O-N 3.3Å; Q2719-I2722 PolarHBondContact O-N 2.85Å; Q2719-K2723 WeakPolarHBondContact O-CG 3.38Å; Q2719-K2723 PolarHBondContact O-N 3.39Å
2720N82.3Confident80.1Confident23 Ų2356 Ų5612%0.12328%0.275CS..Hα-helixtrans-66.3-39.6172.8-77.5-5.2000112.1W2663 R2716 V2717 T2718 I2722 K2723 H2724W2663-N2720 HydrophobicContact CD2-CB 4.3Å; W2663-N2720 HydrophobicContact CZ2-CB 4.38Å; R2716-N2720 PolarHBondContact O-N 3.05Å; R2716-N2720 VanDerWaalsContact O-N 3.08Å; V2717-N2720 PolarHBondContact O-N 2.91Å; T2718-N2720 VanDerWaalsContact C-N 3.34Å; T2718-N2720 PolarHBondContact O-N 3.47Å; N2720-I2722 VanDerWaalsContact C-N 3.32Å; N2720-I2722 PolarHBondContact O-N 3.25Å; N2720-K2723 PolarHBondContact O-N 2.86Å; N2720-K2723 PolarHBondContact OD1-NZ 3.11Å; N2720-H2724 PolarHBondContact O-CD2 3.09Å; N2720-H2724 PolarHBondContact O-N 2.81Å
2721F83.9Confident80.5Confident0 Ų056.1 Ų56.10%028%0.277CS..Hα-helixtrans-63.1-35.8170.6-71.8-65.9000112.8W2663 V2717 T2718 H2724 K2725 L2728 L2756 A2759 F2760 W2763 F2764 F2809W2663-F2721 HydrophobicContact CE3-CE1 4.43Å; W2663-F2721 HydrophobicContact CE3-CZ 4.43Å; W2663-F2721 HydrophobicContact CH2-CD1 4.38Å; W2663-F2721 HydrophobicContact CH2-CE1 4.45Å; W2663-F2721 AromaticContact CZ3-CD1 3.87Å; W2663-F2721 HydrophobicContact CZ3-CD1 3.87Å; W2663-F2721 AromaticContact CZ3-CE1 3.59Å; W2663-F2721 HydrophobicContact CZ3-CE1 3.59Å; W2663-F2721 HydrophobicContact CZ3-CZ 4.02Å; V2717-F2721 HydrophobicContact CG1-CD2 4.19Å; V2717-F2721 HydrophobicContact CG1-CE2 3.79Å; V2717-F2721 VanDerWaalsContact O-CD2 3.3Å; V2717-F2721 WeakPolarHBondContact O-CD2 3.46Å; V2717-F2721 PolarHBondContact O-N 3.2Å; T2718-F2721 PolarHBondContact O-N 3.37Å; F2721-H2724 CarbonylContact O-C 3.58Å; F2721-H2724 PolarHBondContact O-N 2.96Å; F2721-K2725 PolarHBondContact O-N 3.4Å; F2721-L2728 HydrophobicContact CB-CD1 3.91Å; F2721-L2728 HydrophobicContact CD1-CD1 3.77Å; F2721-L2728 HydrophobicContact CG-CD1 4.28Å; F2721-L2756 HydrophobicContact CD1-CD2 4.38Å; F2721-A2759 HydrophobicContact CE1-CB 4.19Å; F2721-A2759 HydrophobicContact CZ-CB 4.2Å; F2721-F2760 HydrophobicContact CD1-CB 4.14Å; F2721-F2760 AromaticContact CD1-CD2 3.8Å; F2721-F2760 HydrophobicContact CD1-CD2 3.8Å; F2721-F2760 HydrophobicContact CD1-CG 4.48Å; F2721-F2760 VanDerWaalsContact CE1-CA 3.46Å; F2721-F2760 HydrophobicContact CE1-CB 3.67Å; F2721-F2760 HydrophobicContact CE1-CD2 4.08Å; F2721-F2760 HydrophobicContact CE1-CG 4.39Å; F2721-F2760 HydrophobicContact CG-CD2 4.08Å; F2721-F2760 HydrophobicContact CZ-CB 4.28Å; F2721-W2763 HydrophobicContact CE2-CB 3.86Å; F2721-W2763 AromaticContact CE2-CD1 3.88Å; F2721-W2763 AromaticContact CE2-CG 3.84Å; F2721-W2763 HydrophobicContact CE2-CG 3.84Å; F2721-W2763 HydrophobicContact CZ-CB 4.05Å; F2721-F2764 HydrophobicContact CD2-CE2 4.11Å; F2721-F2764 HydrophobicContact CE2-CE2 4.37Å; F2721-F2809 HydrophobicContact CB-CZ 4.26Å
2722I82.9Confident80.7Confident79 Ų7948.3 Ų48.341%0.40525%0.247SC..Hα-helixtrans-67.5-38.7176.3-65.9162.2000111.8T2718 Q2719 N2720 H2724 K2725 W2805 F2809T2718-I2722 VanDerWaalsContact O-CG1 3.25Å; T2718-I2722 WeakPolarHBondContact O-CG1 3.5Å; T2718-I2722 PolarHBondContact O-N 3.45Å; Q2719-I2722 PolarHBondContact O-N 2.85Å; N2720-I2722 VanDerWaalsContact C-N 3.32Å; N2720-I2722 PolarHBondContact O-N 3.25Å; I2722-H2724 PolarHBondContact O-N 3.44Å; I2722-K2725 WeakPolarHBondContact O-CB 3.47Å; I2722-K2725 PolarHBondContact O-N 3.07Å; I2722-K2725 VanDerWaalsContact O-N 3.12Å; I2722-W2805 HydrophobicContact CD1-CH2 3.59Å; I2722-W2805 HydrophobicContact CD1-CZ2 4.5Å; I2722-W2805 HydrophobicContact CD1-CZ3 3.99Å; I2722-W2805 HydrophobicContact CG1-CH2 4.15Å; I2722-W2805 HydrophobicContact CG1-CZ3 4.02Å; I2722-F2809 HydrophobicContact CG1-CZ 3.98Å
2723K84Confident80.9Confident137 Ų13748.7 Ų48.760%0.59625%0.247SC*.Hα-helixtrans-58.4-31.5175.6-73.1171.1-171.8163.50112.9Q2719 N2720Q2719-K2723 WeakPolarHBondContact O-CG 3.38Å; Q2719-K2723 PolarHBondContact O-N 3.39Å; N2720-K2723 PolarHBondContact O-N 2.86Å; N2720-K2723 PolarHBondContact OD1-NZ 3.11Å
2724H82.3Confident80.9Confident51 Ų5152.1 Ų52.124%0.23627%0.265CS..THydrogen-bonded Turntrans-102.824.5179-66.2-80.8000112.9W2663 N2720 F2721 I2722 D2726 E2727 L2728 F2752 L2756W2663-H2724 AromaticContact CZ2-CD2 3.72Å; W2663-H2724 AromaticContact CZ2-NE2 3.99Å; N2720-H2724 PolarHBondContact O-CD2 3.09Å; N2720-H2724 PolarHBondContact O-N 2.81Å; F2721-H2724 CarbonylContact O-C 3.58Å; F2721-H2724 PolarHBondContact O-N 2.96Å; I2722-H2724 PolarHBondContact O-N 3.44Å; H2724-D2726 VanDerWaalsContact C-N 3.25Å; H2724-D2726 PolarHBondContact O-N 3.28Å; H2724-D2726 VanDerWaalsContact O-N 3.12Å; H2724-E2727 IonicContact CE1-OE2 3.74Å; H2724-E2727 IonicContact CG-OE2 3.9Å; H2724-E2727 IonicContact ND1-OE2 2.74Å; H2724-E2727 PolarHBondContact ND1-OE2 3.28Å; H2724-E2727 PolarHBondContact O-N 3.02Å; H2724-L2728 WeakPolarHBondContact O-CB 3.42Å; H2724-L2728 PolarHBondContact O-N 3.48Å; H2724-F2752 AromaticContact CE1-CE1 3.99Å; H2724-F2752 AromaticContact CE1-CZ 3.57Å; H2724-F2752 AromaticContact ND1-CE1 3.72Å; H2724-F2752 AromaticContact ND1-CZ 3.76Å; H2724-L2756 HydrophobicContact CB-CD1 3.64Å
2725K81.1Confident80.7Confident79 Ų7953.6 Ų53.634%0.34327%0.266SS..Hα-helixtrans-46.3-47-174.6-178.8-165.2173.1-163.40113F2721 I2722 L2728 S2729 F2809F2721-K2725 PolarHBondContact O-N 3.4Å; I2722-K2725 WeakPolarHBondContact O-CB 3.47Å; I2722-K2725 PolarHBondContact O-N 3.07Å; I2722-K2725 VanDerWaalsContact O-N 3.12Å; K2725-L2728 PolarHBondContact O-N 3.15Å; K2725-S2729 WeakPolarHBondContact O-CB 2.96Å; K2725-S2729 PolarHBondContact O-N 3.36Å; K2725-S2729 PolarHBondContact O-OG 2.89Å; K2725-F2809 HydrophobicContact CB-CD1 4.45Å; K2725-F2809 HydrophobicContact CB-CE1 4.02Å; K2725-F2809 HydrophobicContact CG-CD1 3.94Å; K2725-F2809 HydrophobicContact CG-CE1 3.9Å
2726D80.5Confident80.6Confident114 Ų11451.1 Ų51.161%0.6125%0.246SC*.Hα-helixtrans-74-47.3-168.5-53-33.8000110.7H2724 L2728 S2729 V2730H2724-D2726 VanDerWaalsContact C-N 3.25Å; H2724-D2726 PolarHBondContact O-N 3.28Å; H2724-D2726 VanDerWaalsContact O-N 3.12Å; D2726-L2728 VanDerWaalsContact C-N 3.28Å; D2726-L2728 PolarHBondContact O-N 2.86Å; D2726-S2729 PolarHBondContact O-N 3.27Å; D2726-S2729 PolarHBondContact O-OG 3.1Å; D2726-V2730 WeakPolarHBondContact O-CG2 3.43Å; D2726-V2730 PolarHBondContact O-N 3.17Å
2727E80.9Confident80.3Confident73 Ų7347.3 Ų47.334%0.34123%0.232SC..Hα-helixtrans-59.6-38.2172.5-58.5-179.2101.300112.6H2724 G2731 F2752 Q2753H2724-E2727 IonicContact CE1-OE2 3.74Å; H2724-E2727 IonicContact CG-OE2 3.9Å; H2724-E2727 IonicContact ND1-OE2 2.74Å; H2724-E2727 PolarHBondContact ND1-OE2 3.28Å; H2724-E2727 PolarHBondContact O-N 3.02Å; E2727-G2731 PolarHBondContact O-N 2.93Å; E2727-F2752 WeakPolarHBondContact OE2-CE1 3.4Å; E2727-Q2753 HydrophobicContact CB-CG 4.42Å
2728L83Confident79.5Confident0 Ų050.4 Ų50.40%025%0.249CC..Hα-helixtrans-67-43.1177-169.4170000110.5F2721 H2724 K2725 D2726 G2731 L2732 L2756 F2760 F2809F2721-L2728 HydrophobicContact CB-CD1 3.91Å; F2721-L2728 HydrophobicContact CD1-CD1 3.77Å; F2721-L2728 HydrophobicContact CG-CD1 4.28Å; H2724-L2728 WeakPolarHBondContact O-CB 3.42Å; H2724-L2728 PolarHBondContact O-N 3.48Å; K2725-L2728 PolarHBondContact O-N 3.15Å; D2726-L2728 VanDerWaalsContact C-N 3.28Å; D2726-L2728 PolarHBondContact O-N 2.86Å; L2728-G2731 PolarHBondContact O-N 3.41Å; L2728-L2732 HydrophobicContact CD2-CD1 3.44Å; L2728-L2732 VanDerWaalsContact CD2-CD1 3.44Å; L2728-L2732 HydrophobicContact CD2-CG 3.86Å; L2728-L2732 WeakPolarHBondContact O-CB 3.3Å; L2728-L2732 WeakPolarHBondContact O-CG 3.19Å; L2728-L2732 PolarHBondContact O-N 2.98Å; L2728-L2756 HydrophobicContact CB-CD2 3.58Å; L2728-L2756 HydrophobicContact CD1-CD2 3.72Å; L2728-L2756 HydrophobicContact CG-CD2 3.45Å; L2728-L2756 VanDerWaalsContact CG-CD2 3.45Å; L2728-F2760 HydrophobicContact CD1-CD2 3.72Å; L2728-F2760 HydrophobicContact CD1-CE2 4.1Å; L2728-F2760 HydrophobicContact CD1-CG 4.38Å; L2728-F2760 HydrophobicContact CD2-CD2 4.11Å; L2728-F2760 HydrophobicContact CD2-CE2 4.13Å; L2728-F2760 HydrophobicContact CD2-CG 4.3Å; L2728-F2760 HydrophobicContact CD2-CZ 4.37Å; L2728-F2760 HydrophobicContact CG-CD2 4.27Å; L2728-F2809 HydrophobicContact CD1-CD1 4.02Å; L2728-F2809 HydrophobicContact CD1-CE1 3.92Å; L2728-F2809 HydrophobicContact CD1-CG 4.42Å; L2728-F2809 HydrophobicContact CD1-CZ 4.22Å; L2728-F2809 HydrophobicContact CD2-CB 3.64Å; L2728-F2809 HydrophobicContact CD2-CD1 3.7Å; L2728-F2809 HydrophobicContact CD2-CD2 4.42Å; L2728-F2809 HydrophobicContact CD2-CE1 4.43Å; L2728-F2809 HydrophobicContact CD2-CG 3.69Å; L2728-F2809 HydrophobicContact CG-CD1 4.38Å
2729S80.7Confident78.4Confident11 Ų1152.6 Ų52.68%0.07726%0.262CS..Hα-helixtrans-65.8-43.317973.20000112.7K2725 D2726 L2732 K2733 F2809 T2812K2725-S2729 WeakPolarHBondContact O-CB 2.96Å; K2725-S2729 PolarHBondContact O-N 3.36Å; K2725-S2729 PolarHBondContact O-OG 2.89Å; D2726-S2729 PolarHBondContact O-N 3.27Å; D2726-S2729 PolarHBondContact O-OG 3.1Å; S2729-L2732 PolarHBondContact O-N 3.04Å; S2729-K2733 WeakPolarHBondContact O-CG 3.37Å; S2729-K2733 PolarHBondContact O-N 3.46Å; S2729-F2809 WeakPolarHBondContact CA-O 3.27Å; S2729-F2809 WeakPolarHBondContact CB-O 3.41Å; S2729-T2812 VanDerWaalsContact CB-CG2 3.41Å
2730V80.2Confident77.1Confident68 Ų6851.8 Ų51.841%0.41227%0.268SS..Hα-helixtrans-62.6-46.7172.6174.60000109.8D2726 L2732 K2733 N2734D2726-V2730 WeakPolarHBondContact O-CG2 3.43Å; D2726-V2730 PolarHBondContact O-N 3.17Å; V2730-L2732 VanDerWaalsContact C-N 3.34Å; V2730-L2732 PolarHBondContact O-N 2.72Å; V2730-K2733 PolarHBondContact O-N 3.14Å; V2730-N2734 WeakPolarHBondContact O-CB 3.42Å; V2730-N2734 PolarHBondContact O-N 3.33Å; V2730-N2734 PolarHBondContact O-OD1 3.12Å; V2730-N2734 VanDerWaalsContact O-OD1 3.09Å
2731G79Confident75.7Confident6 Ų654.6 Ų54.66%0.06228%0.283CS..Hα-helixtrans-58.7-40.6176.400000113.7E2727 L2728 Y2735E2727-G2731 PolarHBondContact O-N 2.93Å; L2728-G2731 PolarHBondContact O-N 3.41Å; G2731-Y2735 VanDerWaalsContact O-CB 3.25Å; G2731-Y2735 WeakPolarHBondContact O-CB 3.5Å; G2731-Y2735 PolarHBondContact O-N 3.04Å
2732L79.1Confident74.2Confident0 Ų057.2 Ų57.20%030%0.299CS..Hα-helixtrans-69-45176.2-76.3-180000112.3L2728 S2729 V2730 N2734 Y2735 Y2736 V2757 F2760 F2806 F2809L2728-L2732 HydrophobicContact CD2-CD1 3.44Å; L2728-L2732 VanDerWaalsContact CD2-CD1 3.44Å; L2728-L2732 HydrophobicContact CD2-CG 3.86Å; L2728-L2732 WeakPolarHBondContact O-CB 3.3Å; L2728-L2732 WeakPolarHBondContact O-CG 3.19Å; L2728-L2732 PolarHBondContact O-N 2.98Å; S2729-L2732 PolarHBondContact O-N 3.04Å; V2730-L2732 VanDerWaalsContact C-N 3.34Å; V2730-L2732 PolarHBondContact O-N 2.72Å; L2732-N2734 VanDerWaalsContact C-N 3.35Å; L2732-Y2735 PolarHBondContact O-N 2.99Å; L2732-Y2736 HydrophobicContact CD2-CD2 4.06Å; L2732-Y2736 HydrophobicContact CD2-CE2 3.79Å; L2732-Y2736 WeakPolarHBondContact O-CB 3.29Å; L2732-Y2736 PolarHBondContact O-N 2.89Å; L2732-V2757 HydrophobicContact CD2-CG1 4.38Å; L2732-F2760 HydrophobicContact CD1-CD1 4.22Å; L2732-F2760 HydrophobicContact CD1-CE1 3.82Å; L2732-F2760 HydrophobicContact CD1-CZ 4.34Å; L2732-F2760 HydrophobicContact CD2-CD1 3.97Å; L2732-F2760 HydrophobicContact CD2-CE1 4.21Å; L2732-F2806 HydrophobicContact CD1-CD2 4.34Å; L2732-F2806 HydrophobicContact CD1-CE2 4.47Å; L2732-F2806 HydrophobicContact CD2-CE2 4.38Å; L2732-F2809 HydrophobicContact CD1-CB 3.81Å
2733K77.6Confident72.7Confident65 Ų6559 Ų5928%0.28331%0.314SS..Hα-helixtrans-60.6-46.4177.2-73.3-170.6175.6-160.50110.5S2729 V2730 Y2735 Y2736 F2737 L2810S2729-K2733 WeakPolarHBondContact O-CG 3.37Å; S2729-K2733 PolarHBondContact O-N 3.46Å; V2730-K2733 PolarHBondContact O-N 3.14Å; K2733-Y2735 VanDerWaalsContact C-N 3.29Å; K2733-Y2735 PolarHBondContact O-N 3.41Å; K2733-Y2736 PolarHBondContact O-N 3.13Å; K2733-F2737 HydrophobicContact CB-CD2 4.21Å; K2733-F2737 HydrophobicContact CG-CD2 4.23Å; K2733-F2737 HydrophobicContact CG-CE2 4.3Å; K2733-F2737 WeakPolarHBondContact O-CB 3.34Å; K2733-F2737 PolarHBondContact O-N 3.41Å; K2733-L2810 WeakPolarHBondContact CE-O 3.48Å
2734N76.1Confident71Confident76 Ų7657.7 Ų57.741%0.40632%0.317SS..Hα-helixtrans-61.5-35.6176.2-647.8000112.5V2730 L2732V2730-N2734 WeakPolarHBondContact O-CB 3.42Å; V2730-N2734 PolarHBondContact O-N 3.33Å; V2730-N2734 PolarHBondContact O-OD1 3.12Å; V2730-N2734 VanDerWaalsContact O-OD1 3.09Å; L2732-N2734 VanDerWaalsContact C-N 3.35Å
2735Y75.9Confident69.2Low51 Ų5159.4 Ų59.420%0.233%0.331CS..Hα-helixtrans-80-33.8-178.9-172.2-99.6000114.3G2731 L2732 K2733 V2757 R2761 D2768 Y2769G2731-Y2735 VanDerWaalsContact O-CB 3.25Å; G2731-Y2735 WeakPolarHBondContact O-CB 3.5Å; G2731-Y2735 PolarHBondContact O-N 3.04Å; L2732-Y2735 PolarHBondContact O-N 2.99Å; K2733-Y2735 VanDerWaalsContact C-N 3.29Å; K2733-Y2735 PolarHBondContact O-N 3.41Å; Y2735-V2757 HydrophobicContact CD1-CG1 4.21Å; Y2735-V2757 HydrophobicContact CD2-CG1 4.31Å; Y2735-V2757 HydrophobicContact CG-CG1 3.91Å; Y2735-R2761 PolarHBondContact OH-NH1 3.41Å; Y2735-D2768 PolarHBondContact OH-OD1 3.36Å; Y2735-D2768 VanDerWaalsContact OH-OD1 3.09Å; Y2735-Y2769 HydrophobicContact CE1-CD1 4.17Å; Y2735-Y2769 HydrophobicContact CE2-CD1 4.28Å; Y2735-Y2769 AromaticContact CZ-CD1 3.77Å; Y2735-Y2769 WeakPolarHBondContact O-CB 3.25Å
2736Y77.3Confident67.5Low1 Ų161.1 Ų61.10%0.00435%0.348CS..Hα-helixtrans-100.6-17.3-175.4-77.1-73.1000114.7L2732 K2733 R2761 P2767 L2772 L2773 L2776 F2806 L2810L2732-Y2736 HydrophobicContact CD2-CD2 4.06Å; L2732-Y2736 HydrophobicContact CD2-CE2 3.79Å; L2732-Y2736 WeakPolarHBondContact O-CB 3.29Å; L2732-Y2736 PolarHBondContact O-N 2.89Å; K2733-Y2736 PolarHBondContact O-N 3.13Å; Y2736-R2761 WeakPolarHBondContact OH-CD 3.27Å; Y2736-R2761 PolarHBondContact OH-NE 3.12Å; Y2736-P2767 PolarHBondContact OH-O 2.99Å; Y2736-L2772 HydrophobicContact CD1-CB 4.22Å; Y2736-L2772 HydrophobicContact CE1-CB 4.02Å; Y2736-L2772 HydrophobicContact CE1-CD1 3.76Å; Y2736-L2772 HydrophobicContact CE1-CG 4.48Å; Y2736-L2773 VanDerWaalsContact O-CD1 3.31Å; Y2736-L2773 WeakPolarHBondContact O-CD1 3.37Å; Y2736-L2776 HydrophobicContact CD1-CD1 3.8Å; Y2736-L2776 HydrophobicContact CG-CD1 4.02Å; Y2736-F2806 AromaticContact CD2-CE2 3.98Å; Y2736-F2806 HydrophobicContact CD2-CE2 3.98Å; Y2736-F2806 HydrophobicContact CD2-CZ 4.09Å; Y2736-F2806 HydrophobicContact CE1-CZ 4.44Å; Y2736-F2806 AromaticContact CE2-CE2 3.67Å; Y2736-F2806 HydrophobicContact CE2-CE2 3.67Å; Y2736-F2806 AromaticContact CE2-CZ 3.87Å; Y2736-F2806 HydrophobicContact CE2-CZ 3.87Å; Y2736-F2806 HydrophobicContact CG-CZ 4.46Å; Y2736-L2810 HydrophobicContact CD2-CD1 4.42Å
2737F73.5Confident65.9Low25 Ų2562.9 Ų62.911%0.1136%0.358CS..THydrogen-bonded Turntrans-116.9-34.2-179.8-61.6-56.9000115.2K2733 V2739 L2776 P2777 K2778 L2810K2733-F2737 HydrophobicContact CB-CD2 4.21Å; K2733-F2737 HydrophobicContact CG-CD2 4.23Å; K2733-F2737 HydrophobicContact CG-CE2 4.3Å; K2733-F2737 WeakPolarHBondContact O-CB 3.34Å; K2733-F2737 PolarHBondContact O-N 3.41Å; F2737-V2739 PolarHBondContact O-N 2.89Å; F2737-L2776 HydrophobicContact CE1-CB 4.07Å; F2737-P2777 WeakPolarHBondContact CE1-O 3.27Å; F2737-P2777 WeakPolarHBondContact CZ-O 3.18Å; F2737-K2778 HydrophobicContact CD1-CG 3.96Å; F2737-K2778 HydrophobicContact CE1-CG 4.19Å; F2737-L2810 HydrophobicContact CE2-CD2 3.88Å; F2737-L2810 HydrophobicContact CE2-CG 4.38Å; F2737-L2810 HydrophobicContact CZ-CD2 3.9Å
2738D65.8Low64.1Low66 Ų6667.7 Ų67.735%0.35338%0.38SS..  trans-96.365-172.5-79.3-6.2000113.4S2740 N2741D2738-S2740 PolarHBondContact O-N 2.89Å; D2738-N2741 PolarHBondContact O-N 3.06Å
2739V58.1Low62.3Low72 Ų7277.8 Ų77.844%0.43642%0.42SS..THydrogen-bonded Turntrans-54.2-28179.3-172.60000113.2F2737 N2741 L2773F2737-V2739 PolarHBondContact O-N 2.89Å; V2739-N2741 PolarHBondContact O-N 3.04Å; V2739-L2773 HydrophobicContact CG2-CD1 3.9Å; V2739-L2773 HydrophobicContact CG2-CD2 3.59Å; V2739-L2773 HydrophobicContact CG2-CG 4.41Å
2740S54.7Low61.1Low90 Ų9081.3 Ų81.363%0.62944%0.438SS*.THydrogen-bonded Turntrans-70.7-22.8-175.644.20000115.5D2738D2738-S2740 PolarHBondContact O-N 2.89Å
2741N52.3Low60.4Low83 Ų8383.5 Ų83.544%0.44445%0.452SS..THydrogen-bonded Turntrans-100.4-15.5-174.7-73.3-29.2000114.1D2738 V2739 T2743 T2745D2738-N2741 PolarHBondContact O-N 3.06Å; V2739-N2741 PolarHBondContact O-N 3.04Å; N2741-T2743 VanDerWaalsContact C-N 3.29Å; N2741-T2743 PolarHBondContact O-N 3.17Å; N2741-T2745 PolarHBondContact O-OG1 3.39Å
2742V54.1Low60.2Low55 Ų5586.5 Ų86.533%0.33346%0.463SS..THydrogen-bonded Turntrans-66.3-27.1-170.1178.60000113.3
2743T50.4Low60Low116 Ų11688.2 Ų88.271%0.71247%0.471SS*.THydrogen-bonded Turntrans-94.7-14.5-172.4490000115.1N2741N2741-T2743 VanDerWaalsContact C-N 3.29Å; N2741-T2743 PolarHBondContact O-N 3.17Å
2744T48Very low59.8Low109 Ų10987.8 Ų87.867%0.66948%0.476SS*.THydrogen-bonded Turntrans-127.5-13.4-166.348.30000115.6
2745T43.9Very low59.9Low87 Ų8790 Ų9053%0.53448%0.482SS..  trans-114.819.6-170.961.40000115.3N2741 N2747N2741-T2745 PolarHBondContact O-OG1 3.39Å; T2745-N2747 PolarHBondContact O-N 3.19Å
2746V46.6Very low60.2Low115 Ų11587.7 Ų87.770%0.69747%0.473SS*.THydrogen-bonded Turntrans-59.3-20.3-171.31780000115.1
2747N46Very low60.4Low151 Ų15188 Ų8881%0.80748%0.475SS*.THydrogen-bonded Turntrans-101.8-9.5-158.4-74-4.2000117.8T2745T2745-N2747 PolarHBondContact O-N 3.19Å
2748Q44.8Very low60.8Low175 Ų17592.2 Ų92.282%0.81849%0.493SS*.THydrogen-bonded Turntrans-141.9-9.7-166.7-114162.5100120
2749Y43.9Very low61.7Low212 Ų21289.2 Ų89.283%0.83148%0.477SS*.SBendtrans-131.6133.2173-78.9-86.5000113.1
2750N55.3Low62.9Low85 Ų8585.8 Ų85.846%0.45546%0.457SS..  trans5660.1167.6-58.6-8.8000117.6F2752 Q2753 S2754N2750-F2752 PolarHBondContact O-N 3.02Å; N2750-F2752 VanDerWaalsContact O-N 3.13Å; N2750-Q2753 HydrophobicContact CB-CB 4.03Å; N2750-Q2753 HydrophobicContact CB-CG 4.01Å; N2750-Q2753 VanDerWaalsContact ND2-CD 3.29Å; N2750-Q2753 PolarHBondContact ND2-NE2 3.4Å; N2750-Q2753 PolarHBondContact ND2-OE1 3.02Å; N2750-Q2753 PolarHBondContact O-N 2.92Å; N2750-Q2753 VanDerWaalsContact O-N 3.15Å; N2750-S2754 PolarHBondContact O-N 3.11Å
2751T66.8Low64.4Low114 Ų11483 Ų8370%0.69943%0.433SS*.Hα-helixtrans-51-32.6165.2580000113.1K2755T2751-K2755 WeakPolarHBondContact O-CG 3.46Å; T2751-K2755 PolarHBondContact O-N 3.1Å; T2751-K2755 VanDerWaalsContact O-N 3.17Å
2752F74.9Confident65.8Low68 Ų6881.1 Ų81.130%0.29842%0.422SS..Hα-helixtrans-62.3-52.8175.7-172.3-99.3000112.4L2664 H2724 E2727 N2750 S2754 K2755 L2756L2664-F2752 HydrophobicContact CD1-CD2 4.14Å; L2664-F2752 HydrophobicContact CD1-CE2 3.42Å; L2664-F2752 VanDerWaalsContact CD1-CE2 3.42Å; L2664-F2752 HydrophobicContact CD1-CZ 4.09Å; H2724-F2752 AromaticContact CE1-CE1 3.99Å; H2724-F2752 AromaticContact CE1-CZ 3.57Å; H2724-F2752 AromaticContact ND1-CE1 3.72Å; H2724-F2752 AromaticContact ND1-CZ 3.76Å; E2727-F2752 WeakPolarHBondContact OE2-CE1 3.4Å; N2750-F2752 PolarHBondContact O-N 3.02Å; N2750-F2752 VanDerWaalsContact O-N 3.13Å; F2752-S2754 VanDerWaalsContact C-N 3.33Å; F2752-S2754 PolarHBondContact O-N 2.84Å; F2752-K2755 PolarHBondContact O-N 2.85Å; F2752-K2755 VanDerWaalsContact O-N 3.16Å; F2752-L2756 HydrophobicContact CD1-CD1 4.23Å; F2752-L2756 HydrophobicContact CE1-CD1 3.5Å; F2752-L2756 VanDerWaalsContact CE1-CD1 3.5Å; F2752-L2756 HydrophobicContact CZ-CD1 3.95Å; F2752-L2756 WeakPolarHBondContact O-CB 3.44Å; F2752-L2756 PolarHBondContact O-N 2.85Å
2753Q73.9Confident67.2Low37 Ų3779.5 Ų79.517%0.17341%0.41CS..Hα-helixtrans-61.1-40.5180-70.1174.7-1700111.6E2727 N2750 K2755 L2756 V2757E2727-Q2753 HydrophobicContact CB-CG 4.42Å; N2750-Q2753 HydrophobicContact CB-CB 4.03Å; N2750-Q2753 HydrophobicContact CB-CG 4.01Å; N2750-Q2753 VanDerWaalsContact ND2-CD 3.29Å; N2750-Q2753 PolarHBondContact ND2-NE2 3.4Å; N2750-Q2753 PolarHBondContact ND2-OE1 3.02Å; N2750-Q2753 PolarHBondContact O-N 2.92Å; N2750-Q2753 VanDerWaalsContact O-N 3.15Å; Q2753-K2755 PolarHBondContact O-N 3.12Å; Q2753-L2756 PolarHBondContact O-N 3.38Å; Q2753-V2757 WeakPolarHBondContact O-CG2 3.13Å; Q2753-V2757 PolarHBondContact O-N 2.91Å
2754S73.5Confident68.8Low56 Ų5674.1 Ų74.139%0.39238%0.377SS..Hα-helixtrans-61.6-42.7175.5-168.40000112.5N2750 F2752 K2758N2750-S2754 PolarHBondContact O-N 3.11Å; F2752-S2754 VanDerWaalsContact C-N 3.33Å; F2752-S2754 PolarHBondContact O-N 2.84Å; S2754-K2758 WeakPolarHBondContact O-CB 3.25Å; S2754-K2758 WeakPolarHBondContact O-CD 3.41Å; S2754-K2758 VanDerWaalsContact O-CG 3.26Å; S2754-K2758 WeakPolarHBondContact O-CG 3.48Å; S2754-K2758 PolarHBondContact O-N 3.49Å; S2754-K2758 PolarHBondContact OG-NZ 3.38Å
2755K78Confident70.4Confident123 Ų12371.6 Ų71.654%0.53536%0.363SS..Hα-helixtrans-64.4-43.5174.2-73.9178.4178.3-175.10111.4T2751 F2752 Q2753 K2758 A2759T2751-K2755 WeakPolarHBondContact O-CG 3.46Å; T2751-K2755 PolarHBondContact O-N 3.1Å; T2751-K2755 VanDerWaalsContact O-N 3.17Å; F2752-K2755 PolarHBondContact O-N 2.85Å; F2752-K2755 VanDerWaalsContact O-N 3.16Å; Q2753-K2755 PolarHBondContact O-N 3.12Å; K2755-K2758 PolarHBondContact O-N 2.92Å; K2755-A2759 WeakPolarHBondContact O-CB 3.43Å; K2755-A2759 PolarHBondContact O-N 3.43Å
2756L83Confident72.1Confident1 Ų167.8 Ų67.81%0.00534%0.34CS..Hα-helixtrans-66.7-42.2-176-161.1156.3000112.1W2663 L2664 F2721 H2724 L2728 F2752 Q2753 A2759 F2760W2663-L2756 HydrophobicContact CH2-CD1 4.03Å; W2663-L2756 HydrophobicContact CH2-CG 4.06Å; L2664-L2756 HydrophobicContact CD2-CB 4.19Å; L2664-L2756 HydrophobicContact CD2-CG 4.35Å; F2721-L2756 HydrophobicContact CD1-CD2 4.38Å; H2724-L2756 HydrophobicContact CB-CD1 3.64Å; L2728-L2756 HydrophobicContact CB-CD2 3.58Å; L2728-L2756 HydrophobicContact CD1-CD2 3.72Å; L2728-L2756 HydrophobicContact CG-CD2 3.45Å; L2728-L2756 VanDerWaalsContact CG-CD2 3.45Å; F2752-L2756 HydrophobicContact CD1-CD1 4.23Å; F2752-L2756 HydrophobicContact CE1-CD1 3.5Å; F2752-L2756 VanDerWaalsContact CE1-CD1 3.5Å; F2752-L2756 HydrophobicContact CZ-CD1 3.95Å; F2752-L2756 WeakPolarHBondContact O-CB 3.44Å; F2752-L2756 PolarHBondContact O-N 2.85Å; Q2753-L2756 PolarHBondContact O-N 3.38Å; L2756-A2759 PolarHBondContact O-N 3.32Å; L2756-F2760 WeakPolarHBondContact O-CB 3.46Å; L2756-F2760 PolarHBondContact O-N 2.96Å
2757V81.7Confident73.5Confident7 Ų763.3 Ų63.34%0.04231%0.313CS..Hα-helixtrans-62.5-43.8172.7172.10000111.3L2732 Y2735 Q2753 A2759 F2760 R2761L2732-V2757 HydrophobicContact CD2-CG1 4.38Å; Y2735-V2757 HydrophobicContact CD1-CG1 4.21Å; Y2735-V2757 HydrophobicContact CD2-CG1 4.31Å; Y2735-V2757 HydrophobicContact CG-CG1 3.91Å; Q2753-V2757 WeakPolarHBondContact O-CG2 3.13Å; Q2753-V2757 PolarHBondContact O-N 2.91Å; V2757-A2759 PolarHBondContact O-N 3.5Å; V2757-F2760 PolarHBondContact O-N 2.96Å; V2757-R2761 HydrophobicContact CG1-CG 4.47Å; V2757-R2761 WeakPolarHBondContact O-CB 3.48Å; V2757-R2761 WeakPolarHBondContact O-CG 3.43Å; V2757-R2761 PolarHBondContact O-N 3.04Å
2758K81.8Confident74.8Confident115 Ų11559.4 Ų59.450%0.529%0.292SS..Hα-helixtrans-62-42.3176-73.1165.5-178.4157.60111.8S2754 K2755 L2762S2754-K2758 WeakPolarHBondContact O-CB 3.25Å; S2754-K2758 WeakPolarHBondContact O-CD 3.41Å; S2754-K2758 VanDerWaalsContact O-CG 3.26Å; S2754-K2758 WeakPolarHBondContact O-CG 3.48Å; S2754-K2758 PolarHBondContact O-N 3.49Å; S2754-K2758 PolarHBondContact OG-NZ 3.38Å; K2755-K2758 PolarHBondContact O-N 2.92Å; K2758-L2762 WeakPolarHBondContact O-CB 3.22Å; K2758-L2762 PolarHBondContact O-N 3.08Å
2759A83Confident76.2Confident2 Ų254.4 Ų54.42%0.01727%0.266CS..Hα-helixtrans-61.9-49.9174.500000111.6L2669 F2721 K2755 L2756 V2757 R2761 L2762 W2763L2669-A2759 VanDerWaalsContact CD2-CA 3.49Å; L2669-A2759 HydrophobicContact CD2-CB 3.6Å; L2669-A2759 WeakPolarHBondContact CD2-O 3.43Å; F2721-A2759 HydrophobicContact CE1-CB 4.19Å; F2721-A2759 HydrophobicContact CZ-CB 4.2Å; K2755-A2759 WeakPolarHBondContact O-CB 3.43Å; K2755-A2759 PolarHBondContact O-N 3.43Å; L2756-A2759 PolarHBondContact O-N 3.32Å; V2757-A2759 PolarHBondContact O-N 3.5Å; A2759-R2761 PolarHBondContact O-N 2.92Å; A2759-L2762 PolarHBondContact O-N 3.08Å; A2759-W2763 WeakPolarHBondContact O-CB 3.46Å; A2759-W2763 PolarHBondContact O-N 3.14Å
2760F84.8Confident77.5Confident0 Ų048.5 Ų48.50%025%0.252CS..Hα-helixtrans-58.3-50.1179.1-177.5-97.1000111.7F2721 L2728 L2732 L2756 V2757 L2762 W2763 F2764 L2766 F2806 F2809F2721-F2760 HydrophobicContact CD1-CB 4.14Å; F2721-F2760 AromaticContact CD1-CD2 3.8Å; F2721-F2760 HydrophobicContact CD1-CD2 3.8Å; F2721-F2760 HydrophobicContact CD1-CG 4.48Å; F2721-F2760 VanDerWaalsContact CE1-CA 3.46Å; F2721-F2760 HydrophobicContact CE1-CB 3.67Å; F2721-F2760 HydrophobicContact CE1-CD2 4.08Å; F2721-F2760 HydrophobicContact CE1-CG 4.39Å; F2721-F2760 HydrophobicContact CG-CD2 4.08Å; F2721-F2760 HydrophobicContact CZ-CB 4.28Å; L2728-F2760 HydrophobicContact CD1-CD2 3.72Å; L2728-F2760 HydrophobicContact CD1-CE2 4.1Å; L2728-F2760 HydrophobicContact CD1-CG 4.38Å; L2728-F2760 HydrophobicContact CD2-CD2 4.11Å; L2728-F2760 HydrophobicContact CD2-CE2 4.13Å; L2728-F2760 HydrophobicContact CD2-CG 4.3Å; L2728-F2760 HydrophobicContact CD2-CZ 4.37Å; L2728-F2760 HydrophobicContact CG-CD2 4.27Å; L2732-F2760 HydrophobicContact CD1-CD1 4.22Å; L2732-F2760 HydrophobicContact CD1-CE1 3.82Å; L2732-F2760 HydrophobicContact CD1-CZ 4.34Å; L2732-F2760 HydrophobicContact CD2-CD1 3.97Å; L2732-F2760 HydrophobicContact CD2-CE1 4.21Å; L2756-F2760 WeakPolarHBondContact O-CB 3.46Å; L2756-F2760 PolarHBondContact O-N 2.96Å; V2757-F2760 PolarHBondContact O-N 2.96Å; F2760-L2762 VanDerWaalsContact C-N 3.35Å; F2760-L2762 PolarHBondContact O-N 3.46Å; F2760-W2763 PolarHBondContact O-N 2.96Å; F2760-F2764 HydrophobicContact CD1-CD2 4.29Å; F2760-F2764 AromaticContact CD2-CD2 3.49Å; F2760-F2764 HydrophobicContact CD2-CD2 3.49Å; F2760-F2764 VanDerWaalsContact CD2-CD2 3.49Å; F2760-F2764 AromaticContact CD2-CE2 3.43Å; F2760-F2764 HydrophobicContact CD2-CE2 3.43Å; F2760-F2764 VanDerWaalsContact CD2-CE2 3.43Å; F2760-F2764 HydrophobicContact CE1-CD2 4.19Å; F2760-F2764 AromaticContact CE2-CD2 3.37Å; F2760-F2764 HydrophobicContact CE2-CD2 3.37Å; F2760-F2764 AromaticContact CE2-CE2 3.18Å; F2760-F2764 HydrophobicContact CE2-CE2 3.18Å; F2760-F2764 HydrophobicContact CE2-CG 4.47Å; F2760-F2764 HydrophobicContact CE2-CZ 4.15Å; F2760-F2764 AromaticContact CG-CD2 3.98Å; F2760-F2764 HydrophobicContact CG-CD2 3.98Å; F2760-F2764 HydrophobicContact CG-CE2 4.35Å; F2760-F2764 AromaticContact CZ-CD2 3.74Å; F2760-F2764 HydrophobicContact CZ-CD2 3.74Å; F2760-F2764 AromaticContact CZ-CE2 3.94Å; F2760-F2764 HydrophobicContact CZ-CE2 3.94Å; F2760-F2764 HydrophobicContact CZ-CG 4.5Å; F2760-F2764 WeakPolarHBondContact O-CD2 3.01Å; F2760-F2764 PolarHBondContact O-N 3.29Å; F2760-L2766 HydrophobicContact CD1-CD1 3.79Å; F2760-L2766 HydrophobicContact CE1-CD1 3.42Å; F2760-L2766 VanDerWaalsContact CE1-CD1 3.42Å; F2760-L2766 HydrophobicContact CZ-CD1 4.41Å; F2760-F2806 HydrophobicContact CE1-CD2 4.23Å; F2760-F2809 AromaticContact CE2-CD2 3.42Å; F2760-F2809 HydrophobicContact CE2-CD2 3.42Å; F2760-F2809 VanDerWaalsContact CE2-CD2 3.42Å; F2760-F2809 AromaticContact CE2-CE2 3.71Å; F2760-F2809 HydrophobicContact CE2-CE2 3.71Å; F2760-F2809 HydrophobicContact CE2-CG 4.14Å; F2760-F2809 HydrophobicContact CZ-CB 4.18Å; F2760-F2809 AromaticContact CZ-CD2 3.59Å; F2760-F2809 HydrophobicContact CZ-CD2 3.59Å; F2760-F2809 HydrophobicContact CZ-CE2 4.31Å; F2760-F2809 HydrophobicContact CZ-CG 4.19Å
2761R84.8Confident78.3Confident33 Ų3348.3 Ų48.313%0.12525%0.251CS..Hα-helixtrans-58.6-44.2176.5-73.3-171.957.8-125.2-22.3112.3Y2735 Y2736 V2757 A2759 S2765 L2766 P2767 D2768Y2735-R2761 PolarHBondContact OH-NH1 3.41Å; Y2736-R2761 WeakPolarHBondContact OH-CD 3.27Å; Y2736-R2761 PolarHBondContact OH-NE 3.12Å; V2757-R2761 HydrophobicContact CG1-CG 4.47Å; V2757-R2761 WeakPolarHBondContact O-CB 3.48Å; V2757-R2761 WeakPolarHBondContact O-CG 3.43Å; V2757-R2761 PolarHBondContact O-N 3.04Å; A2759-R2761 PolarHBondContact O-N 2.92Å; R2761-S2765 WeakPolarHBondContact O-CA 3.48Å; R2761-S2765 PolarHBondContact O-N 2.98Å; R2761-L2766 HydrophobicContact CB-CB 4.37Å; R2761-L2766 HydrophobicContact CG-CB 4.22Å; R2761-L2766 PolarHBondContact NE-O 2.87Å; R2761-L2766 PolarHBondContact NH2-O 3.32Å; R2761-L2766 PolarHBondContact O-N 3.47Å; R2761-P2767 PolarHBondContact NE-O 3.27Å; R2761-P2767 VanDerWaalsContact NE-O 3.15Å; R2761-P2767 PolarHBondContact NH2-O 3.44Å; R2761-D2768 IonicContact CZ-OD1 3.8Å; R2761-D2768 VanDerWaalsContact CZ-OD1 3.25Å; R2761-D2768 IonicContact CZ-OD2 3.86Å; R2761-D2768 IonicContact NH1-OD1 3.2Å; R2761-D2768 PolarHBondContact NH1-OD1 3.36Å; R2761-D2768 IonicContact NH1-OD2 3.27Å; R2761-D2768 VanDerWaalsContact NH2-N 3.17Å; R2761-D2768 IonicContact NH2-OD1 2.65Å; R2761-D2768 PolarHBondContact NH2-OD1 2.96Å; R2761-D2768 VanDerWaalsContact NH2-OD1 3.15Å; R2761-D2768 IonicContact NH2-OD2 2.86Å; R2761-D2768 PolarHBondContact NH2-OD2 3.36Å
2762L83.6Confident78.6Confident42 Ų4243 Ų4322%0.2222%0.218CC..Hα-helixtrans-66.6-41.3178.1-174.4138.6000112.5L2666 L2669 K2670 K2673 K2758 A2759 F2760L2666-L2762 HydrophobicContact CD1-CB 3.99Å; L2666-L2762 HydrophobicContact CD1-CD1 3.67Å; L2666-L2762 HydrophobicContact CD1-CG 4.29Å; L2666-L2762 HydrophobicContact CG-CD1 3.95Å; L2669-L2762 HydrophobicContact CB-CD2 4.32Å; L2669-L2762 HydrophobicContact CD2-CD2 4.1Å; L2669-L2762 HydrophobicContact CG-CD2 4.08Å; K2670-L2762 HydrophobicContact CD-CD1 4.18Å; K2670-L2762 VanDerWaalsContact CE-CD1 3.47Å; K2670-L2762 HydrophobicContact CG-CD1 3.64Å; K2670-L2762 HydrophobicContact CG-CD2 3.81Å; K2670-L2762 HydrophobicContact CG-CG 4.34Å; K2673-L2762 PolarHBondContact NZ-O 2.64Å; K2758-L2762 WeakPolarHBondContact O-CB 3.22Å; K2758-L2762 PolarHBondContact O-N 3.08Å; A2759-L2762 PolarHBondContact O-N 3.08Å; F2760-L2762 VanDerWaalsContact C-N 3.35Å; F2760-L2762 PolarHBondContact O-N 3.46Å
2763W83.5Confident78.3Confident22 Ų2242.6 Ų42.68%0.08322%0.219CC..Hα-helixtrans-63.7-49.8178.5-173.6-105.8000111.3L2669 L2672 K2673 V2676 L2713 V2717 F2721 A2759 F2760 S2765L2669-W2763 HydrophobicContact CD1-CD2 4.31Å; L2669-W2763 HydrophobicContact CD1-CE3 3.55Å; L2669-W2763 HydrophobicContact CD1-CZ3 4.07Å; L2669-W2763 HydrophobicContact CD2-CB 4.34Å; L2669-W2763 HydrophobicContact CG-CE3 4.02Å; L2672-W2763 HydrophobicContact CB-CZ3 4.05Å; K2673-W2763 HydrophobicContact CB-CE3 4.02Å; K2673-W2763 HydrophobicContact CB-CZ3 3.87Å; K2673-W2763 PolarHBondContact NZ-O 3.1Å; V2676-W2763 HydrophobicContact CG2-CH2 4.1Å; L2713-W2763 HydrophobicContact CD2-CH2 4.27Å; V2717-W2763 HydrophobicContact CB-CH2 3.98Å; V2717-W2763 HydrophobicContact CB-CZ2 3.7Å; V2717-W2763 HydrophobicContact CG1-CD2 3.68Å; V2717-W2763 VanDerWaalsContact CG1-CE2 3.48Å; V2717-W2763 HydrophobicContact CG1-CE3 3.97Å; V2717-W2763 HydrophobicContact CG1-CG 4.27Å; V2717-W2763 HydrophobicContact CG1-CH2 3.9Å; V2717-W2763 HydrophobicContact CG1-CZ2 3.62Å; V2717-W2763 HydrophobicContact CG1-CZ3 4.06Å; V2717-W2763 HydrophobicContact CG2-CH2 3.93Å; V2717-W2763 HydrophobicContact CG2-CZ2 4.18Å; V2717-W2763 HydrophobicContact CG2-CZ3 4.41Å; F2721-W2763 HydrophobicContact CE2-CB 3.86Å; F2721-W2763 AromaticContact CE2-CD1 3.88Å; F2721-W2763 AromaticContact CE2-CG 3.84Å; F2721-W2763 HydrophobicContact CE2-CG 3.84Å; F2721-W2763 HydrophobicContact CZ-CB 4.05Å; A2759-W2763 WeakPolarHBondContact O-CB 3.46Å; A2759-W2763 PolarHBondContact O-N 3.14Å; F2760-W2763 PolarHBondContact O-N 2.96Å; W2763-S2765 PolarHBondContact O-N 2.75Å
2764F83.5Confident77.9Confident3 Ų345.1 Ų45.11%0.01324%0.238CC..Hα-helixtrans-84.5-1.8-176.2-69.5-74.7000115T2718 F2721 F2760 L2766 N2802 W2805T2718-F2764 HydrophobicContact CG2-CE1 4.32Å; T2718-F2764 HydrophobicContact CG2-CZ 3.86Å; F2721-F2764 HydrophobicContact CD2-CE2 4.11Å; F2721-F2764 HydrophobicContact CE2-CE2 4.37Å; F2760-F2764 HydrophobicContact CD1-CD2 4.29Å; F2760-F2764 AromaticContact CD2-CD2 3.49Å; F2760-F2764 HydrophobicContact CD2-CD2 3.49Å; F2760-F2764 VanDerWaalsContact CD2-CD2 3.49Å; F2760-F2764 AromaticContact CD2-CE2 3.43Å; F2760-F2764 HydrophobicContact CD2-CE2 3.43Å; F2760-F2764 VanDerWaalsContact CD2-CE2 3.43Å; F2760-F2764 HydrophobicContact CE1-CD2 4.19Å; F2760-F2764 AromaticContact CE2-CD2 3.37Å; F2760-F2764 HydrophobicContact CE2-CD2 3.37Å; F2760-F2764 AromaticContact CE2-CE2 3.18Å; F2760-F2764 HydrophobicContact CE2-CE2 3.18Å; F2760-F2764 HydrophobicContact CE2-CG 4.47Å; F2760-F2764 HydrophobicContact CE2-CZ 4.15Å; F2760-F2764 AromaticContact CG-CD2 3.98Å; F2760-F2764 HydrophobicContact CG-CD2 3.98Å; F2760-F2764 HydrophobicContact CG-CE2 4.35Å; F2760-F2764 AromaticContact CZ-CD2 3.74Å; F2760-F2764 HydrophobicContact CZ-CD2 3.74Å; F2760-F2764 AromaticContact CZ-CE2 3.94Å; F2760-F2764 HydrophobicContact CZ-CE2 3.94Å; F2760-F2764 HydrophobicContact CZ-CG 4.5Å; F2760-F2764 WeakPolarHBondContact O-CD2 3.01Å; F2760-F2764 PolarHBondContact O-N 3.29Å; F2764-L2766 HydrophobicContact CB-CD1 4.1Å; F2764-L2766 HydrophobicContact CB-CD2 4.44Å; F2764-L2766 HydrophobicContact CB-CG 3.89Å; F2764-N2802 HydrophobicContact CB-CB 4.2Å; F2764-N2802 HydrophobicContact CD1-CB 3.85Å; F2764-N2802 PolarHBondContact O-ND2 3.33Å; F2764-W2805 HydrophobicContact CD1-CB 4.25Å; F2764-W2805 HydrophobicContact CE1-CB 3.76Å; F2764-W2805 AromaticContact CE1-CD1 3.53Å; F2764-W2805 AromaticContact CE1-CG 3.72Å; F2764-W2805 HydrophobicContact CE1-CG 3.72Å; F2764-W2805 HydrophobicContact CZ-CB 4Å; F2764-W2805 AromaticContact CZ-CG 3.95Å; F2764-W2805 HydrophobicContact CZ-CG 3.95Å
2765S80.8Confident77.6Confident55 Ų5546.3 Ų46.339%0.38524%0.237SC..THydrogen-bonded Turntrans64.534.4-176.3-56.20000114.4K2673 R2761 W2763 T2798K2673-S2765 PolarHBondContact NZ-OG 3.07Å; R2761-S2765 WeakPolarHBondContact O-CA 3.48Å; R2761-S2765 PolarHBondContact O-N 2.98Å; W2763-S2765 PolarHBondContact O-N 2.75Å; S2765-T2798 VanDerWaalsContact O-CG2 3.28Å; S2765-T2798 WeakPolarHBondContact O-CG2 3.3Å
2766L80Confident77.2Confident7 Ų741 Ų414%0.03721%0.214CC..PPolyproline II helixtrans-81.6132-172.4-61.5173.3000112.6F2760 R2761 F2764 F2806F2760-L2766 HydrophobicContact CD1-CD1 3.79Å; F2760-L2766 HydrophobicContact CE1-CD1 3.42Å; F2760-L2766 VanDerWaalsContact CE1-CD1 3.42Å; F2760-L2766 HydrophobicContact CZ-CD1 4.41Å; R2761-L2766 HydrophobicContact CB-CB 4.37Å; R2761-L2766 HydrophobicContact CG-CB 4.22Å; R2761-L2766 PolarHBondContact NE-O 2.87Å; R2761-L2766 PolarHBondContact NH2-O 3.32Å; R2761-L2766 PolarHBondContact O-N 3.47Å; F2764-L2766 HydrophobicContact CB-CD1 4.1Å; F2764-L2766 HydrophobicContact CB-CD2 4.44Å; F2764-L2766 HydrophobicContact CB-CG 3.89Å; L2766-F2806 HydrophobicContact CD1-CB 4.1Å; L2766-F2806 HydrophobicContact CD1-CD2 3.68Å; L2766-F2806 HydrophobicContact CD1-CE2 4.26Å; L2766-F2806 HydrophobicContact CD1-CG 3.92Å; L2766-F2806 HydrophobicContact CD2-CB 4.08Å; L2766-F2806 HydrophobicContact CD2-CD1 4.26Å; L2766-F2806 HydrophobicContact CD2-CG 4.09Å
2767P75.2Confident76.4Confident21 Ų2143 Ų4314%0.13623%0.228CC..PPolyproline II helixtrans-54.5161.5175.1-24.130.6000114.3Y2736 R2761 I2771 L2772Y2736-P2767 PolarHBondContact OH-O 2.99Å; R2761-P2767 PolarHBondContact NE-O 3.27Å; R2761-P2767 VanDerWaalsContact NE-O 3.15Å; R2761-P2767 PolarHBondContact NH2-O 3.44Å; P2767-I2771 HydrophobicContact CB-CB 3.93Å; P2767-I2771 HydrophobicContact CB-CD1 4.1Å; P2767-I2771 HydrophobicContact CB-CG2 3.99Å; P2767-I2771 HydrophobicContact CG-CG2 4.49Å; P2767-L2772 HydrophobicContact CB-CD1 4.08Å; P2767-L2772 HydrophobicContact CB-CG 4.1Å; P2767-L2772 HydrophobicContact CG-CD1 4.17Å; P2767-L2772 HydrophobicContact CG-CG 4.31Å
2768D74.3Confident75.5Confident69 Ų6949.3 Ų49.337%0.36926%0.255SS..PPolyproline II helixtrans-68.2159.6172.3-76.2-81.8000111.8Y2735 R2761 T2770 I2771 L2772Y2735-D2768 PolarHBondContact OH-OD1 3.36Å; Y2735-D2768 VanDerWaalsContact OH-OD1 3.09Å; R2761-D2768 IonicContact CZ-OD1 3.8Å; R2761-D2768 VanDerWaalsContact CZ-OD1 3.25Å; R2761-D2768 IonicContact CZ-OD2 3.86Å; R2761-D2768 IonicContact NH1-OD1 3.2Å; R2761-D2768 PolarHBondContact NH1-OD1 3.36Å; R2761-D2768 IonicContact NH1-OD2 3.27Å; R2761-D2768 VanDerWaalsContact NH2-N 3.17Å; R2761-D2768 IonicContact NH2-OD1 2.65Å; R2761-D2768 PolarHBondContact NH2-OD1 2.96Å; R2761-D2768 VanDerWaalsContact NH2-OD1 3.15Å; R2761-D2768 IonicContact NH2-OD2 2.86Å; R2761-D2768 PolarHBondContact NH2-OD2 3.36Å; D2768-T2770 PolarHBondContact O-N 2.97Å; D2768-T2770 VanDerWaalsContact O-N 3.15Å; D2768-I2771 PolarHBondContact O-N 3.13Å; D2768-L2772 PolarHBondContact O-N 3.31Å
2769Y74Confident74.5Confident71 Ų7149.5 Ų49.528%0.27826%0.261SS..Hα-helixtrans-55.4-33-179.969.6-84.1000111.9Y2735 I2771 L2772 L2773Y2735-Y2769 HydrophobicContact CE1-CD1 4.17Å; Y2735-Y2769 HydrophobicContact CE2-CD1 4.28Å; Y2735-Y2769 AromaticContact CZ-CD1 3.77Å; Y2735-Y2769 WeakPolarHBondContact O-CB 3.25Å; Y2769-I2771 PolarHBondContact O-N 3.13Å; Y2769-I2771 VanDerWaalsContact O-N 3.13Å; Y2769-L2772 PolarHBondContact O-N 3.27Å; Y2769-L2773 WeakPolarHBondContact O-CB 3.35Å; Y2769-L2773 PolarHBondContact O-N 3.35Å
2770T71.4Confident73.3Confident88 Ų8854.3 Ų54.354%0.5429%0.287SS..Hα-helixtrans-56.4-26.3176.1510000114.6D2768D2768-T2770 PolarHBondContact O-N 2.97Å; D2768-T2770 VanDerWaalsContact O-N 3.15Å
2771I72.7Confident72.1Confident81 Ų8160.3 Ų60.342%0.41532%0.323SS..Hα-helixtrans-96.3-31.8-178.7-63.3167.2000111.4P2767 D2768 Y2769 H2794P2767-I2771 HydrophobicContact CB-CB 3.93Å; P2767-I2771 HydrophobicContact CB-CD1 4.1Å; P2767-I2771 HydrophobicContact CB-CG2 3.99Å; P2767-I2771 HydrophobicContact CG-CG2 4.49Å; D2768-I2771 PolarHBondContact O-N 3.13Å; Y2769-I2771 PolarHBondContact O-N 3.13Å; Y2769-I2771 VanDerWaalsContact O-N 3.13Å; I2771-H2794 HydrophobicContact CG2-CB 4.43Å
2772L72Confident71Confident2 Ų262 Ų621%0.0133%0.334CS..Hα-helixtrans-100.5-27.6-174-70.4172.6000114.3Y2736 P2767 D2768 Y2769 H2775 L2776 V2791 F2806Y2736-L2772 HydrophobicContact CD1-CB 4.22Å; Y2736-L2772 HydrophobicContact CE1-CB 4.02Å; Y2736-L2772 HydrophobicContact CE1-CD1 3.76Å; Y2736-L2772 HydrophobicContact CE1-CG 4.48Å; P2767-L2772 HydrophobicContact CB-CD1 4.08Å; P2767-L2772 HydrophobicContact CB-CG 4.1Å; P2767-L2772 HydrophobicContact CG-CD1 4.17Å; P2767-L2772 HydrophobicContact CG-CG 4.31Å; D2768-L2772 PolarHBondContact O-N 3.31Å; Y2769-L2772 PolarHBondContact O-N 3.27Å; L2772-H2775 CarbonylContact O-C 3.59Å; L2772-H2775 PolarHBondContact O-N 3.08Å; L2772-L2776 HydrophobicContact CB-CD1 3.77Å; L2772-L2776 HydrophobicContact CB-CG 4.19Å; L2772-L2776 WeakPolarHBondContact O-CG 3.25Å; L2772-L2776 PolarHBondContact O-N 3.28Å; L2772-V2791 HydrophobicContact CD2-CG1 4.37Å; L2772-F2806 HydrophobicContact CD1-CE1 4.04Å; L2772-F2806 HydrophobicContact CD1-CZ 4.22Å
2773L69.3Low70.2Confident60 Ų6063.6 Ų63.631%0.31435%0.347SS..G310 helixtrans-51.6-41.1178.4174.972.9000114.1Y2736 V2739 Y2769 H2775Y2736-L2773 VanDerWaalsContact O-CD1 3.31Å; Y2736-L2773 WeakPolarHBondContact O-CD1 3.37Å; V2739-L2773 HydrophobicContact CG2-CD1 3.9Å; V2739-L2773 HydrophobicContact CG2-CD2 3.59Å; V2739-L2773 HydrophobicContact CG2-CG 4.41Å; Y2769-L2773 WeakPolarHBondContact O-CB 3.35Å; Y2769-L2773 PolarHBondContact O-N 3.35Å; L2773-H2775 PolarHBondContact O-N 2.87Å; L2773-H2775 VanDerWaalsContact O-N 3.16Å
2774P65.9Low69.7Low90 Ų9066.1 Ų66.158%0.58436%0.362SS*.G310 helixtrans-70.6-9.2179.6-15.530.9000113.8
2775H65.9Low69.2Low80 Ų8071.1 Ų71.137%0.3739%0.392SS..G310 helixtrans-129.2-0.2-169.3-54.7-56.4000113.1L2772 L2773 V2790 H2794L2772-H2775 CarbonylContact O-C 3.59Å; L2772-H2775 PolarHBondContact O-N 3.08Å; L2773-H2775 PolarHBondContact O-N 2.87Å; L2773-H2775 VanDerWaalsContact O-N 3.16Å; H2775-V2790 HydrophobicContact CB-CG1 3.72Å; H2775-H2794 AromaticContact CD2-CD2 3.73Å; H2775-H2794 AromaticContact CD2-CE1 3.77Å; H2775-H2794 AromaticContact CD2-CG 3.98Å; H2775-H2794 AromaticContact CD2-ND1 3.99Å; H2775-H2794 AromaticContact CD2-NE2 3.63Å; H2775-H2794 AromaticContact CE1-CE1 4Å; H2775-H2794 AromaticContact CE1-NE2 3.75Å; H2775-H2794 AromaticContact CG-CE1 3.87Å; H2775-H2794 AromaticContact NE2-CD2 3.76Å; H2775-H2794 AromaticContact NE2-CE1 3.89Å; H2775-H2794 AromaticContact NE2-NE2 3.39Å; H2775-H2794 PolarHBondContact NE2-NE2 3.08Å
2776L69.3Low68.8Low11 Ų1172 Ų726%0.05839%0.393CS..  trans-101.6107.9171.3-75.4173.8000109.2Y2736 F2737 L2772 F2787 F2806 L2810Y2736-L2776 HydrophobicContact CD1-CD1 3.8Å; Y2736-L2776 HydrophobicContact CG-CD1 4.02Å; F2737-L2776 HydrophobicContact CE1-CB 4.07Å; L2772-L2776 HydrophobicContact CB-CD1 3.77Å; L2772-L2776 HydrophobicContact CB-CG 4.19Å; L2772-L2776 WeakPolarHBondContact O-CG 3.25Å; L2772-L2776 PolarHBondContact O-N 3.28Å; L2776-F2787 HydrophobicContact CD2-CE2 3.7Å; L2776-F2787 HydrophobicContact CD2-CZ 4.47Å; L2776-F2806 HydrophobicContact CD1-CE1 4.48Å; L2776-F2806 HydrophobicContact CD1-CZ 4.13Å; L2776-F2806 HydrophobicContact CD2-CE1 4.33Å; L2776-L2810 HydrophobicContact CD1-CD1 4.39Å
2777P66.6Low68.7Low44 Ų4472.1 Ų72.129%0.28639%0.393SS..  trans-75.7154.5173.825.7-22.3000111F2737 L2782 Y2811F2737-P2777 WeakPolarHBondContact CE1-O 3.27Å; F2737-P2777 WeakPolarHBondContact CZ-O 3.18Å; P2777-L2782 HydrophobicContact CB-CD1 4.32Å; P2777-L2782 HydrophobicContact CG-CD1 3.17Å; P2777-Y2811 PolarHBondContact O-OH 3Å
2778K62.7Low68.7Low140 Ų14073 Ų7361%0.60940%0.396SS*.SBendtrans-82.5-13-177.3-62.7-168.1172.1-161.10113.7F2737F2737-K2778 HydrophobicContact CD1-CG 3.96Å; F2737-K2778 HydrophobicContact CE1-CG 4.19Å
2779D60.4Low68.7Low118 Ų11872.3 Ų72.363%0.63140%0.397SS*.SBendtrans-99132-175.5-47-49.9000110.9V2781D2779-V2781 HydrophobicContact CB-CG2 4.16Å; D2779-V2781 PolarHBondContact O-N 3.09Å
2780D59.4Low68.7Low104 Ų10471 Ų7156%0.55640%0.396SS*.SBendtrans-70.225.5-172.2-61.1-62.6000114.9Y2811D2780-Y2811 WeakPolarHBondContact OD1-CD1 3.44Å
2781V58.2Low68.9Low125 Ų12567 Ų6776%0.75837%0.371SS*.  trans-109.92.6-157-164.30000114.8D2779D2779-V2781 HydrophobicContact CB-CG2 4.16Å; D2779-V2781 PolarHBondContact O-N 3.09Å
2782L61.5Low69.1Low70 Ų7068.8 Ų68.837%0.36638%0.376SS..  trans-84.9132-175.1-100140.7000114.2P2777 L2784 N2786P2777-L2782 HydrophobicContact CB-CD1 4.32Å; P2777-L2782 HydrophobicContact CG-CD1 3.17Å; L2782-L2784 PolarHBondContact O-N 2.96Å; L2782-N2786 HydrophobicContact CD2-CB 3.36Å
2783P68.7Low69.4Low75 Ų7575.5 Ų75.549%0.48741%0.407SS..  trans-56.4137.6168.4-25.534.6000111.6V2785 N2786 F2787P2783-V2785 PolarHBondContact O-N 3.44Å; P2783-N2786 WeakPolarHBondContact O-CB 3.42Å; P2783-N2786 PolarHBondContact O-N 3.27Å; P2783-F2787 PolarHBondContact O-N 3.48Å; P2783-F2787 VanDerWaalsContact O-N 3.17Å
2784L71.2Confident69.6Low75 Ų7575.9 Ų75.939%0.39341%0.407SS..Hα-helixtrans-48.7-35.7178.8-174.966.4000113L2782 N2786 F2787 L2788 L2804 H2807L2782-L2784 PolarHBondContact O-N 2.96Å; L2784-N2786 PolarHBondContact O-N 3.43Å; L2784-F2787 PolarHBondContact O-N 3.04Å; L2784-L2788 HydrophobicContact CG-CD1 4.03Å; L2784-L2788 HydrophobicContact CG-CG 4.44Å; L2784-L2788 VanDerWaalsContact O-CB 3.28Å; L2784-L2788 WeakPolarHBondContact O-CB 3.47Å; L2784-L2788 WeakPolarHBondContact O-CG 3.41Å; L2784-L2788 PolarHBondContact O-N 3.03Å; L2784-L2804 HydrophobicContact CD1-CD2 3.87Å; L2784-L2804 HydrophobicContact CD2-CD2 3.94Å; L2784-L2804 HydrophobicContact CG-CD2 4.19Å; L2784-H2807 HydrophobicContact CD1-CB 4.29Å; L2784-H2807 VanDerWaalsContact CD1-CD2 3.44Å; L2784-H2807 WeakPolarHBondContact CD1-CD2 3.44Å
2785V73.5Confident69.7Low108 Ų10871.8 Ų71.866%0.65538%0.381SS*.Hα-helixtrans-60.6-41.4176.9-1780000112.2P2783 S2789P2783-V2785 PolarHBondContact O-N 3.44Å; V2785-S2789 PolarHBondContact O-N 2.7Å; V2785-S2789 PolarHBondContact O-OG 2.98Å
2786N73.3Confident69.9Low74 Ų7473.1 Ų73.140%0.39640%0.397SS..Hα-helixtrans-77.9-37.4-179-67.70.3000111.3L2782 P2783 L2784 L2788 S2789 V2790L2782-N2786 HydrophobicContact CD2-CB 3.36Å; P2783-N2786 WeakPolarHBondContact O-CB 3.42Å; P2783-N2786 PolarHBondContact O-N 3.27Å; L2784-N2786 PolarHBondContact O-N 3.43Å; N2786-L2788 VanDerWaalsContact C-N 3.33Å; N2786-S2789 PolarHBondContact O-N 3.34Å; N2786-S2789 PolarHBondContact O-OG 2.79Å; N2786-V2790 WeakPolarHBondContact O-CB 3.29Å; N2786-V2790 VanDerWaalsContact O-CG2 3.3Å; N2786-V2790 WeakPolarHBondContact O-CG2 3.39Å; N2786-V2790 PolarHBondContact O-N 3.19Å
2787F76.5Confident70Confident9 Ų978.8 Ų78.84%0.03943%0.432CS..Hα-helixtrans-60.5-44.8170.2-178.8-94.2000111.1L2776 P2783 L2784 S2789 V2791 I2803 F2806 H2807 Y2811L2776-F2787 HydrophobicContact CD2-CE2 3.7Å; L2776-F2787 HydrophobicContact CD2-CZ 4.47Å; P2783-F2787 PolarHBondContact O-N 3.48Å; P2783-F2787 VanDerWaalsContact O-N 3.17Å; L2784-F2787 PolarHBondContact O-N 3.04Å; F2787-S2789 PolarHBondContact O-N 3.41Å; F2787-V2791 HydrophobicContact CD1-CG2 4.26Å; F2787-V2791 HydrophobicContact CD2-CG2 4.26Å; F2787-V2791 HydrophobicContact CE1-CG2 4Å; F2787-V2791 HydrophobicContact CE2-CG2 3.98Å; F2787-V2791 HydrophobicContact CG-CG2 4.41Å; F2787-V2791 HydrophobicContact CZ-CG2 3.87Å; F2787-V2791 WeakPolarHBondContact O-CB 3.36Å; F2787-V2791 WeakPolarHBondContact O-CG2 3.42Å; F2787-V2791 PolarHBondContact O-N 3.47Å; F2787-I2803 HydrophobicContact CD1-CG2 4.05Å; F2787-I2803 HydrophobicContact CE1-CG2 3.67Å; F2787-F2806 HydrophobicContact CE1-CD1 4.29Å; F2787-F2806 AromaticContact CZ-CD1 3.69Å; F2787-F2806 HydrophobicContact CZ-CD1 3.69Å; F2787-F2806 HydrophobicContact CZ-CE1 4.01Å; F2787-H2807 HydrophobicContact CD1-CB 4.04Å; F2787-H2807 AromaticContact CD1-CD2 3.6Å; F2787-H2807 HydrophobicContact CE1-CB 3.69Å; F2787-H2807 AromaticContact CG-CD2 3.7Å; F2787-H2807 HydrophobicContact CZ-CB 4.24Å; F2787-Y2811 AromaticContact CD2-CE2 3.82Å; F2787-Y2811 HydrophobicContact CD2-CE2 3.82Å; F2787-Y2811 AromaticContact CE2-CE2 3.64Å; F2787-Y2811 HydrophobicContact CE2-CE2 3.64Å; F2787-Y2811 HydrophobicContact CZ-CE2 4.43Å
2788L75.3Confident70.3Confident39 Ų3977.2 Ų77.220%0.20442%0.422CS..Hα-helixtrans-62.8-40.3177.1-77.1171.1000112.7L2784 N2786 K2792 V2800 I2803 L2804L2784-L2788 HydrophobicContact CG-CD1 4.03Å; L2784-L2788 HydrophobicContact CG-CG 4.44Å; L2784-L2788 VanDerWaalsContact O-CB 3.28Å; L2784-L2788 WeakPolarHBondContact O-CB 3.47Å; L2784-L2788 WeakPolarHBondContact O-CG 3.41Å; L2784-L2788 PolarHBondContact O-N 3.03Å; N2786-L2788 VanDerWaalsContact C-N 3.33Å; L2788-K2792 WeakPolarHBondContact O-CB 3.45Å; L2788-K2792 PolarHBondContact O-N 2.98Å; L2788-K2792 VanDerWaalsContact O-N 3.09Å; L2788-V2800 HydrophobicContact CD2-CG1 4.05Å; L2788-I2803 HydrophobicContact CD2-CB 3.98Å; L2788-I2803 HydrophobicContact CD2-CG2 3.75Å; L2788-L2804 HydrophobicContact CD1-CD2 4.08Å; L2788-L2804 HydrophobicContact CD2-CD2 4.07Å; L2788-L2804 HydrophobicContact CD2-CG 4.46Å; L2788-L2804 HydrophobicContact CG-CD2 4.43Å
2789S75Confident71Confident55 Ų5573.8 Ų73.839%0.38541%0.414SS..Hα-helixtrans-68.1-47.7178.363.70000111.8V2785 N2786 F2787 K2792 Q2793V2785-S2789 PolarHBondContact O-N 2.7Å; V2785-S2789 PolarHBondContact O-OG 2.98Å; N2786-S2789 PolarHBondContact O-N 3.34Å; N2786-S2789 PolarHBondContact O-OG 2.79Å; F2787-S2789 PolarHBondContact O-N 3.41Å; S2789-K2792 PolarHBondContact O-N 3.11Å; S2789-Q2793 WeakPolarHBondContact O-CG 3.26Å; S2789-Q2793 PolarHBondContact O-N 3.1Å
2790V75Confident71.8Confident44 Ų4471.1 Ų71.127%0.26740%0.402SS..Hα-helixtrans-62.6-49.1-180171.80000111.7H2775 N2786 K2792 Q2793 H2794H2775-V2790 HydrophobicContact CB-CG1 3.72Å; N2786-V2790 WeakPolarHBondContact O-CB 3.29Å; N2786-V2790 VanDerWaalsContact O-CG2 3.3Å; N2786-V2790 WeakPolarHBondContact O-CG2 3.39Å; N2786-V2790 PolarHBondContact O-N 3.19Å; V2790-K2792 PolarHBondContact O-N 2.8Å; V2790-Q2793 PolarHBondContact O-N 3.01Å; V2790-H2794 PolarHBondContact O-ND1 2.89Å
2791V75.4Confident72.8Confident3 Ų369.8 Ų69.82%0.01840%0.399CS..Hα-helixtrans-69-36.9-179.4177.70000111.3L2772 F2787 H2794 S2795 I2803L2772-V2791 HydrophobicContact CD2-CG1 4.37Å; F2787-V2791 HydrophobicContact CD1-CG2 4.26Å; F2787-V2791 HydrophobicContact CD2-CG2 4.26Å; F2787-V2791 HydrophobicContact CE1-CG2 4Å; F2787-V2791 HydrophobicContact CE2-CG2 3.98Å; F2787-V2791 HydrophobicContact CG-CG2 4.41Å; F2787-V2791 HydrophobicContact CZ-CG2 3.87Å; F2787-V2791 WeakPolarHBondContact O-CB 3.36Å; F2787-V2791 WeakPolarHBondContact O-CG2 3.42Å; F2787-V2791 PolarHBondContact O-N 3.47Å; V2791-H2794 PolarHBondContact O-N 3.12Å; V2791-S2795 PolarHBondContact O-N 3.16Å; V2791-S2795 PolarHBondContact O-OG 3.08Å; V2791-I2803 HydrophobicContact CB-CG2 3.93Å; V2791-I2803 HydrophobicContact CG1-CD1 4.25Å; V2791-I2803 HydrophobicContact CG1-CG1 4.25Å; V2791-I2803 HydrophobicContact CG1-CG2 3.77Å
2792K77Confident73.9Confident119 Ų11965.2 Ų65.252%0.51737%0.37SS..Hα-helixtrans-68.9-33.2179.4-172.5179.5179.9-172.90113L2788 S2789 V2790 H2794 S2795 I2803L2788-K2792 WeakPolarHBondContact O-CB 3.45Å; L2788-K2792 PolarHBondContact O-N 2.98Å; L2788-K2792 VanDerWaalsContact O-N 3.09Å; S2789-K2792 PolarHBondContact O-N 3.11Å; V2790-K2792 PolarHBondContact O-N 2.8Å; K2792-H2794 VanDerWaalsContact C-N 3.3Å; K2792-H2794 PolarHBondContact O-N 3.31Å; K2792-S2795 PolarHBondContact O-N 3.28Å; K2792-I2803 HydrophobicContact CB-CD1 4.28Å
2793Q78Confident74.7Confident142 Ų14261.9 Ų61.966%0.66435%0.353SS*.Hα-helixtrans-58.4-42.3171.7-79.2172.7-16.300111.8S2789 V2790S2789-Q2793 WeakPolarHBondContact O-CG 3.26Å; S2789-Q2793 PolarHBondContact O-N 3.1Å; V2790-Q2793 PolarHBondContact O-N 3.01Å
2794H72.8Confident75.3Confident68 Ų6861.4 Ų61.432%0.31535%0.346SS..Hα-helixtrans-91.5-2.3-175.9-59.390000113.9I2771 H2775 V2790 V2791 K2792I2771-H2794 HydrophobicContact CG2-CB 4.43Å; H2775-H2794 AromaticContact CD2-CD2 3.73Å; H2775-H2794 AromaticContact CD2-CE1 3.77Å; H2775-H2794 AromaticContact CD2-CG 3.98Å; H2775-H2794 AromaticContact CD2-ND1 3.99Å; H2775-H2794 AromaticContact CD2-NE2 3.63Å; H2775-H2794 AromaticContact CE1-CE1 4Å; H2775-H2794 AromaticContact CE1-NE2 3.75Å; H2775-H2794 AromaticContact CG-CE1 3.87Å; H2775-H2794 AromaticContact NE2-CD2 3.76Å; H2775-H2794 AromaticContact NE2-CE1 3.89Å; H2775-H2794 AromaticContact NE2-NE2 3.39Å; H2775-H2794 PolarHBondContact NE2-NE2 3.08Å; V2790-H2794 PolarHBondContact O-ND1 2.89Å; V2791-H2794 PolarHBondContact O-N 3.12Å; K2792-H2794 VanDerWaalsContact C-N 3.3Å; K2792-H2794 PolarHBondContact O-N 3.31Å
2795S67.6Low75.8Confident5 Ų561.1 Ų61.14%0.03534%0.339CS..  trans-148.358.6-178.666.40000113.5V2791 K2792 T2797 T2798V2791-S2795 PolarHBondContact O-N 3.16Å; V2791-S2795 PolarHBondContact O-OG 3.08Å; K2792-S2795 PolarHBondContact O-N 3.28Å; S2795-T2797 PolarHBondContact O-N 3.02Å; S2795-T2798 PolarHBondContact O-N 2.97Å; S2795-T2798 PolarHBondContact O-OG1 3.36Å; S2795-T2798 PolarHBondContact OG-OG1 3.39Å; S2795-T2798 VanDerWaalsContact OG-OG1 3.12Å
2796P70Confident76.2Confident108 Ų10856 Ų5670%0.70131%0.308SS*.THydrogen-bonded Turntrans-62.4-17.2-171.526.3-36.8000114.8
2797T72.2Confident76.5Confident130 Ų13053.5 Ų53.580%0.79829%0.294SS*.THydrogen-bonded Turntrans-84.8-6.2176.353.20000113.9S2795S2795-T2797 PolarHBondContact O-N 3.02Å
2798T72Confident76.6Confident10 Ų1060.9 Ų60.96%0.06132%0.322CS..SBendtrans-91.2131.2-179.769.50000111.3S2765 S2795S2765-T2798 VanDerWaalsContact O-CG2 3.28Å; S2765-T2798 WeakPolarHBondContact O-CG2 3.3Å; S2795-T2798 PolarHBondContact O-N 2.97Å; S2795-T2798 PolarHBondContact O-OG1 3.36Å; S2795-T2798 PolarHBondContact OG-OG1 3.39Å; S2795-T2798 VanDerWaalsContact OG-OG1 3.12Å
2799P77.7Confident76.9Confident68 Ų6859.4 Ų59.444%0.44231%0.314SS..  trans-76.6139.7178.831.8-34.4000110.1P2801 N2802P2799-P2801 VanDerWaalsContact C-N 3.31Å; P2799-P2801 VanDerWaalsContact O-N 3.08Å; P2799-N2802 HydrophobicContact CG-CB 4.29Å; P2799-N2802 WeakPolarHBondContact O-CB 3.42Å; P2799-N2802 PolarHBondContact O-N 2.7Å
2800V78.5Confident77Confident62 Ų6256.8 Ų56.838%0.37630%0.295SS..Hα-helixtrans-46.6-41.5-174.7175.90000114.6L2788 N2802 I2803 L2804L2788-V2800 HydrophobicContact CD2-CG1 4.05Å; V2800-N2802 PolarHBondContact O-N 3Å; V2800-I2803 PolarHBondContact O-N 3.28Å; V2800-I2803 VanDerWaalsContact O-N 3.08Å; V2800-L2804 HydrophobicContact CG1-CD1 4.4Å; V2800-L2804 HydrophobicContact CG1-CG 4.41Å; V2800-L2804 PolarHBondContact O-N 3.42Å
2801P79Confident77Confident76 Ų7655.5 Ų55.549%0.49429%0.286SS..Hα-helixtrans-56.9-30.6175.2-27.637000115P2799 L2804 W2805P2799-P2801 VanDerWaalsContact C-N 3.31Å; P2799-P2801 VanDerWaalsContact O-N 3.08Å; P2801-L2804 PolarHBondContact O-N 3.22Å; P2801-W2805 PolarHBondContact O-N 2.78Å; P2801-W2805 VanDerWaalsContact O-N 3.08Å
2802N81.2Confident76.2Confident30 Ų3056.9 Ų56.916%0.1629%0.294CS..Hα-helixtrans-71.3-36.5177.4-66.913.1000111.3F2764 P2799 V2800 W2805 F2806F2764-N2802 HydrophobicContact CB-CB 4.2Å; F2764-N2802 HydrophobicContact CD1-CB 3.85Å; F2764-N2802 PolarHBondContact O-ND2 3.33Å; P2799-N2802 HydrophobicContact CG-CB 4.29Å; P2799-N2802 WeakPolarHBondContact O-CB 3.42Å; P2799-N2802 PolarHBondContact O-N 2.7Å; V2800-N2802 PolarHBondContact O-N 3Å; N2802-W2805 PolarHBondContact O-N 3.32Å; N2802-F2806 PolarHBondContact O-N 3.08Å
2803I79.3Confident75.1Confident0 Ų059.4 Ų59.40%031%0.307CS..Hα-helixtrans-68.4-38.1175.6-50.3174.8000110.2F2787 L2788 V2791 K2792 V2800 F2806 H2807F2787-I2803 HydrophobicContact CD1-CG2 4.05Å; F2787-I2803 HydrophobicContact CE1-CG2 3.67Å; L2788-I2803 HydrophobicContact CD2-CB 3.98Å; L2788-I2803 HydrophobicContact CD2-CG2 3.75Å; V2791-I2803 HydrophobicContact CB-CG2 3.93Å; V2791-I2803 HydrophobicContact CG1-CD1 4.25Å; V2791-I2803 HydrophobicContact CG1-CG1 4.25Å; V2791-I2803 HydrophobicContact CG1-CG2 3.77Å; K2792-I2803 HydrophobicContact CB-CD1 4.28Å; V2800-I2803 PolarHBondContact O-N 3.28Å; V2800-I2803 VanDerWaalsContact O-N 3.08Å; I2803-F2806 PolarHBondContact O-N 2.76Å; I2803-H2807 PolarHBondContact O-N 3.44Å
2804L80.9Confident73.1Confident65 Ų6560.3 Ų60.334%0.3433%0.329SS..Hα-helixtrans-63-38.6173-66.3176.8000112.7L2784 L2788 V2800 P2801 R2808L2784-L2804 HydrophobicContact CD1-CD2 3.87Å; L2784-L2804 HydrophobicContact CD2-CD2 3.94Å; L2784-L2804 HydrophobicContact CG-CD2 4.19Å; L2788-L2804 HydrophobicContact CD1-CD2 4.08Å; L2788-L2804 HydrophobicContact CD2-CD2 4.07Å; L2788-L2804 HydrophobicContact CD2-CG 4.46Å; L2788-L2804 HydrophobicContact CG-CD2 4.43Å; V2800-L2804 HydrophobicContact CG1-CD1 4.4Å; V2800-L2804 HydrophobicContact CG1-CG 4.41Å; V2800-L2804 PolarHBondContact O-N 3.42Å; P2801-L2804 PolarHBondContact O-N 3.22Å; L2804-R2808 WeakPolarHBondContact O-CG 3.41Å; L2804-R2808 PolarHBondContact O-N 2.91Å
2805W81.4Confident73.2Confident69 Ų6959.9 Ų59.926%0.26133%0.33SS..Hα-helixtrans-65.6-44.4171.6-80.4114.4000111.9I2722 F2764 P2801 N2802 H2807 R2808 F2809I2722-W2805 HydrophobicContact CD1-CH2 3.59Å; I2722-W2805 HydrophobicContact CD1-CZ2 4.5Å; I2722-W2805 HydrophobicContact CD1-CZ3 3.99Å; I2722-W2805 HydrophobicContact CG1-CH2 4.15Å; I2722-W2805 HydrophobicContact CG1-CZ3 4.02Å; F2764-W2805 HydrophobicContact CD1-CB 4.25Å; F2764-W2805 HydrophobicContact CE1-CB 3.76Å; F2764-W2805 AromaticContact CE1-CD1 3.53Å; F2764-W2805 AromaticContact CE1-CG 3.72Å; F2764-W2805 HydrophobicContact CE1-CG 3.72Å; F2764-W2805 HydrophobicContact CZ-CB 4Å; F2764-W2805 AromaticContact CZ-CG 3.95Å; F2764-W2805 HydrophobicContact CZ-CG 3.95Å; P2801-W2805 PolarHBondContact O-N 2.78Å; P2801-W2805 VanDerWaalsContact O-N 3.08Å; N2802-W2805 PolarHBondContact O-N 3.32Å; W2805-H2807 VanDerWaalsContact C-N 3.34Å; W2805-H2807 PolarHBondContact O-N 3.07Å; W2805-R2808 PolarHBondContact O-N 3.11Å; W2805-F2809 HydrophobicContact CD2-CE2 4.33Å; W2805-F2809 HydrophobicContact CE3-CD2 4.07Å; W2805-F2809 AromaticContact CE3-CE2 3.46Å; W2805-F2809 HydrophobicContact CE3-CE2 3.46Å; W2805-F2809 VanDerWaalsContact CE3-CE2 3.46Å; W2805-F2809 HydrophobicContact CE3-CZ 4.2Å; W2805-F2809 HydrophobicContact CZ3-CE2 4.01Å; W2805-F2809 HydrophobicContact CZ3-CZ 4.31Å; W2805-F2809 VanDerWaalsContact O-CD2 3.24Å; W2805-F2809 WeakPolarHBondContact O-CD2 3.38Å; W2805-F2809 PolarHBondContact O-N 2.93Å; W2805-F2809 VanDerWaalsContact O-N 3.09Å
2806F82.5Confident73.4Confident0 Ų062.8 Ų62.80%035%0.346CS..Hα-helixtrans-57.5-45.3176.9-178.5-135.4000112L2732 Y2736 F2760 L2766 L2772 L2776 F2787 N2802 I2803 R2808 F2809 L2810L2732-F2806 HydrophobicContact CD1-CD2 4.34Å; L2732-F2806 HydrophobicContact CD1-CE2 4.47Å; L2732-F2806 HydrophobicContact CD2-CE2 4.38Å; Y2736-F2806 AromaticContact CD2-CE2 3.98Å; Y2736-F2806 HydrophobicContact CD2-CE2 3.98Å; Y2736-F2806 HydrophobicContact CD2-CZ 4.09Å; Y2736-F2806 HydrophobicContact CE1-CZ 4.44Å; Y2736-F2806 AromaticContact CE2-CE2 3.67Å; Y2736-F2806 HydrophobicContact CE2-CE2 3.67Å; Y2736-F2806 AromaticContact CE2-CZ 3.87Å; Y2736-F2806 HydrophobicContact CE2-CZ 3.87Å; Y2736-F2806 HydrophobicContact CG-CZ 4.46Å; F2760-F2806 HydrophobicContact CE1-CD2 4.23Å; L2766-F2806 HydrophobicContact CD1-CB 4.1Å; L2766-F2806 HydrophobicContact CD1-CD2 3.68Å; L2766-F2806 HydrophobicContact CD1-CE2 4.26Å; L2766-F2806 HydrophobicContact CD1-CG 3.92Å; L2766-F2806 HydrophobicContact CD2-CB 4.08Å; L2766-F2806 HydrophobicContact CD2-CD1 4.26Å; L2766-F2806 HydrophobicContact CD2-CG 4.09Å; L2772-F2806 HydrophobicContact CD1-CE1 4.04Å; L2772-F2806 HydrophobicContact CD1-CZ 4.22Å; L2776-F2806 HydrophobicContact CD1-CE1 4.48Å; L2776-F2806 HydrophobicContact CD1-CZ 4.13Å; L2776-F2806 HydrophobicContact CD2-CE1 4.33Å; F2787-F2806 HydrophobicContact CE1-CD1 4.29Å; F2787-F2806 AromaticContact CZ-CD1 3.69Å; F2787-F2806 HydrophobicContact CZ-CD1 3.69Å; F2787-F2806 HydrophobicContact CZ-CE1 4.01Å; N2802-F2806 PolarHBondContact O-N 3.08Å; I2803-F2806 PolarHBondContact O-N 2.76Å; F2806-R2808 PolarHBondContact O-N 3.07Å; F2806-F2809 PolarHBondContact O-N 3.27Å; F2806-L2810 HydrophobicContact CD2-CD1 4.39Å; F2806-L2810 HydrophobicContact CE1-CD1 4.42Å; F2806-L2810 HydrophobicContact CE2-CB 4.45Å; F2806-L2810 HydrophobicContact CE2-CD1 3.53Å; F2806-L2810 HydrophobicContact CZ-CD1 3.55Å; F2806-L2810 VanDerWaalsContact O-CB 3.28Å; F2806-L2810 WeakPolarHBondContact O-CB 3.44Å; F2806-L2810 PolarHBondContact O-N 3.07Å
2807H79.4Confident73.6Confident22 Ų2260.3 Ų60.310%0.10233%0.326CS..Hα-helixtrans-55.7-51.9173.1-172.8-67.2000112.2L2784 F2787 I2803 W2805 F2809 L2810 Y2811L2784-H2807 HydrophobicContact CD1-CB 4.29Å; L2784-H2807 VanDerWaalsContact CD1-CD2 3.44Å; L2784-H2807 WeakPolarHBondContact CD1-CD2 3.44Å; F2787-H2807 HydrophobicContact CD1-CB 4.04Å; F2787-H2807 AromaticContact CD1-CD2 3.6Å; F2787-H2807 HydrophobicContact CE1-CB 3.69Å; F2787-H2807 AromaticContact CG-CD2 3.7Å; F2787-H2807 HydrophobicContact CZ-CB 4.24Å; I2803-H2807 PolarHBondContact O-N 3.44Å; W2805-H2807 VanDerWaalsContact C-N 3.34Å; W2805-H2807 PolarHBondContact O-N 3.07Å; H2807-F2809 VanDerWaalsContact C-N 3.25Å; H2807-F2809 PolarHBondContact O-N 3.1Å; H2807-L2810 PolarHBondContact O-N 3.32Å; H2807-Y2811 AromaticContact CD2-CD2 3.98Å; H2807-Y2811 AromaticContact NE2-CD2 4Å; H2807-Y2811 PolarHBondContact O-N 2.83Å
2808R79.6Confident73.7Confident164 Ų16456.2 Ų56.262%0.61930%0.298SS*.Hα-helixtrans-63.8-24-177.3-80.4179.3162.7-175-5115L2804 W2805 F2806L2804-R2808 WeakPolarHBondContact O-CG 3.41Å; L2804-R2808 PolarHBondContact O-N 2.91Å; W2805-R2808 PolarHBondContact O-N 3.11Å; F2806-R2808 PolarHBondContact O-N 3.07Å
2809F81Confident73.8Confident7 Ų759.1 Ų59.13%0.03131%0.313CS..Hα-helixtrans-96.2-24.6178.5-79.5-65.2000113.2F2721 I2722 K2725 L2728 S2729 L2732 F2760 W2805 F2806 H2807F2721-F2809 HydrophobicContact CB-CZ 4.26Å; I2722-F2809 HydrophobicContact CG1-CZ 3.98Å; K2725-F2809 HydrophobicContact CB-CD1 4.45Å; K2725-F2809 HydrophobicContact CB-CE1 4.02Å; K2725-F2809 HydrophobicContact CG-CD1 3.94Å; K2725-F2809 HydrophobicContact CG-CE1 3.9Å; L2728-F2809 HydrophobicContact CD1-CD1 4.02Å; L2728-F2809 HydrophobicContact CD1-CE1 3.92Å; L2728-F2809 HydrophobicContact CD1-CG 4.42Å; L2728-F2809 HydrophobicContact CD1-CZ 4.22Å; L2728-F2809 HydrophobicContact CD2-CB 3.64Å; L2728-F2809 HydrophobicContact CD2-CD1 3.7Å; L2728-F2809 HydrophobicContact CD2-CD2 4.42Å; L2728-F2809 HydrophobicContact CD2-CE1 4.43Å; L2728-F2809 HydrophobicContact CD2-CG 3.69Å; L2728-F2809 HydrophobicContact CG-CD1 4.38Å; S2729-F2809 WeakPolarHBondContact CA-O 3.27Å; S2729-F2809 WeakPolarHBondContact CB-O 3.41Å; L2732-F2809 HydrophobicContact CD1-CB 3.81Å; F2760-F2809 AromaticContact CE2-CD2 3.42Å; F2760-F2809 HydrophobicContact CE2-CD2 3.42Å; F2760-F2809 VanDerWaalsContact CE2-CD2 3.42Å; F2760-F2809 AromaticContact CE2-CE2 3.71Å; F2760-F2809 HydrophobicContact CE2-CE2 3.71Å; F2760-F2809 HydrophobicContact CE2-CG 4.14Å; F2760-F2809 HydrophobicContact CZ-CB 4.18Å; F2760-F2809 AromaticContact CZ-CD2 3.59Å; F2760-F2809 HydrophobicContact CZ-CD2 3.59Å; F2760-F2809 HydrophobicContact CZ-CE2 4.31Å; F2760-F2809 HydrophobicContact CZ-CG 4.19Å; W2805-F2809 HydrophobicContact CD2-CE2 4.33Å; W2805-F2809 HydrophobicContact CE3-CD2 4.07Å; W2805-F2809 AromaticContact CE3-CE2 3.46Å; W2805-F2809 HydrophobicContact CE3-CE2 3.46Å; W2805-F2809 VanDerWaalsContact CE3-CE2 3.46Å; W2805-F2809 HydrophobicContact CE3-CZ 4.2Å; W2805-F2809 HydrophobicContact CZ3-CE2 4.01Å; W2805-F2809 HydrophobicContact CZ3-CZ 4.31Å; W2805-F2809 VanDerWaalsContact O-CD2 3.24Å; W2805-F2809 WeakPolarHBondContact O-CD2 3.38Å; W2805-F2809 PolarHBondContact O-N 2.93Å; W2805-F2809 VanDerWaalsContact O-N 3.09Å; F2806-F2809 PolarHBondContact O-N 3.27Å; H2807-F2809 VanDerWaalsContact C-N 3.25Å; H2807-F2809 PolarHBondContact O-N 3.1Å
2810L77.4Confident73.6Confident0 Ų058.5 Ų58.50%031%0.305CS..Hα-helixtrans-89-42.7178.9-170.2150.4000111.9K2733 Y2736 F2737 L2776 F2806 H2807K2733-L2810 WeakPolarHBondContact CE-O 3.48Å; Y2736-L2810 HydrophobicContact CD2-CD1 4.42Å; F2737-L2810 HydrophobicContact CE2-CD2 3.88Å; F2737-L2810 HydrophobicContact CE2-CG 4.38Å; F2737-L2810 HydrophobicContact CZ-CD2 3.9Å; L2776-L2810 HydrophobicContact CD1-CD1 4.39Å; F2806-L2810 HydrophobicContact CD2-CD1 4.39Å; F2806-L2810 HydrophobicContact CE1-CD1 4.42Å; F2806-L2810 HydrophobicContact CE2-CB 4.45Å; F2806-L2810 HydrophobicContact CE2-CD1 3.53Å; F2806-L2810 HydrophobicContact CZ-CD1 3.55Å; F2806-L2810 VanDerWaalsContact O-CB 3.28Å; F2806-L2810 WeakPolarHBondContact O-CB 3.44Å; F2806-L2810 PolarHBondContact O-N 3.07Å; H2807-L2810 PolarHBondContact O-N 3.32Å
2811Y74.4Confident73.2Confident17 Ų1758.2 Ų58.27%0.06730%0.299CS..SBendtrans-102.691.8174.4-56.3-65.2000109.3P2777 D2780 F2787 H2807 H2813P2777-Y2811 PolarHBondContact O-OH 3Å; D2780-Y2811 WeakPolarHBondContact OD1-CD1 3.44Å; F2787-Y2811 AromaticContact CD2-CE2 3.82Å; F2787-Y2811 HydrophobicContact CD2-CE2 3.82Å; F2787-Y2811 AromaticContact CE2-CE2 3.64Å; F2787-Y2811 HydrophobicContact CE2-CE2 3.64Å; F2787-Y2811 HydrophobicContact CZ-CE2 4.43Å; H2807-Y2811 AromaticContact CD2-CD2 3.98Å; H2807-Y2811 AromaticContact NE2-CD2 4Å; H2807-Y2811 PolarHBondContact O-N 2.83Å; Y2811-H2813 VanDerWaalsContact C-N 3.35Å; Y2811-H2813 PolarHBondContact O-N 3.49Å
2812T59.3Low72.8Confident32 Ų3256.8 Ų56.820%0.19629%0.285CS..  trans-83.6-1.4-169.942.70000115.8S2729S2729-T2812 VanDerWaalsContact CB-CG2 3.41Å
2813H52.6Low72.1Confident172 Ų17259.1 Ų59.180%0.79630%0.295SS*.  trans-123.256.5-173.8-79.8-81.4000114Y2811Y2811-H2813 VanDerWaalsContact C-N 3.35Å; Y2811-H2813 PolarHBondContact O-N 3.49Å
2814S37.2Very low71.4Confident161 Ų16164.5 Ų64.5100%1.12632%0.322SS*.  trans-157.20158.359.90000110.4

Retrieved 2,814 of 2,814 residues in 1211.9 ms (Link to these results)

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